A0A087YAJ2_POEFO Loading...

Neuroendocrine convertase 2

Serine endopeptidase which is involved in the processing of hormone and other protein precursors at sites comprised of pairs of basic amino acid residues. Responsible for the release of glucagon from proglucagon in pancreatic A cells.

AlphaFold DB , UniProt , Accession A0A087YAJ2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 644 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	T	34.3	Very low	34.2	Very low	181 Å²	181	152.7 Å²	152.7	100%	1.11	81%	0.805	S	S	*	*				0	119.2	0	-26.4	0	0	0	0	107.9
2	M	28.9	Very low	34.7	Very low	169 Å²	169	148.8 Å²	148.8	83%	0.833	79%	0.791	S	S	*	*			trans	52.2	113.5	162	-62	-165.6	-142.5	0	0	119.6
3	R	30.6	Very low	34.7	Very low	254 Å²	254	140.5 Å²	140.5	96%	0.958	76%	0.763	S	S	*	*				71.7	121.2	82.3	-96.2	-173.5	175.5	-177.5	-0.6	115
4	G	27.5	Very low	34.8	Very low	66 Å²	66	141.2 Å²	141.2	68%	0.68	76%	0.756	S	S	*	*			trans	152	105	143.4	0	0	0	0	0	118.5
5	Y	30.3	Very low	34.8	Very low	219 Å²	219	141.3 Å²	141.3	86%	0.859	75%	0.752	S	S	*	*			trans	55.3	115.9	148.9	-72	-94.7	0	0	0	119.3
6	S	40.4	Very low	35.1	Very low	105 Å²	105	138.6 Å²	138.6	73%	0.734	74%	0.742	S	S	*	*			cis	50.4	103.7	44.5	-163.4	0	0	0	0	115.6
7	R	37.2	Very low	35	Very low	205 Å²	205	137.1 Å²	137.1	77%	0.774	73%	0.734	S	S	*	*			trans	160	58.2	138.2	-88.7	-177.7	176.2	-166	-0.1	114
8	Y	35.6	Very low	34.9	Very low	224 Å²	224	135.1 Å²	135.1	88%	0.878	72%	0.722	S	S	*	*	S	Bend	trans	-145.7	-1	164.4	-86.7	-75.1	0	0	0	116
9	G	36.3	Very low	34.7	Very low	71 Å²	71	133.1 Å²	133.1	73%	0.732	71%	0.711	S	S	*	*	S	Bend	trans	-92.6	-13.6	-178.3	0	0	0	0	0	116.4
10	T	36.8	Very low	34.6	Very low	115 Å²	115	129 Å²	129	71%	0.706	70%	0.697	S	S	*	*	H	α-helix	trans	-99.2	-11.4	-173	38.8	0	0	0	0	114.7
11	A	38	Very low	34.3	Very low	71 Å²	71	128.8 Å²	128.8	59%	0.587	70%	0.695	S	S	*	*	H	α-helix	trans	-84	-28.8	-179.1	0	0	0	0	0	113.5
12	V	40.4	Very low	34.1	Very low	105 Å²	105	125.7 Å²	125.7	64%	0.636	67%	0.671	S	S	*	*	H	α-helix	trans	-81.4	-34.9	-178.4	-175.2	0	0	0	0	111.6	F14	V12-F14 VanDerWaalsContact C-N 3.34Å; V12-F14 PolarHBondContact O-N 3.19Å
13	G	35.3	Very low	34.3	Very low	42 Å²	42	123.6 Å²	123.6	43%	0.433	66%	0.662	S	S	.	*	H	α-helix	trans	-68	-29.5	174.7	0	0	0	0	0	114	L17	G13-L17 PolarHBondContact O-N 3.34Å
14	F	35.6	Very low	34.2	Very low	150 Å²	150	120.9 Å²	120.9	66%	0.658	66%	0.657	S	S	*	*	H	α-helix	trans	-77.7	-29.9	180	-114.6	-90.7	0	0	0	113.5	V12 L18	V12-F14 VanDerWaalsContact C-N 3.34Å; V12-F14 PolarHBondContact O-N 3.19Å; F14-L18 HydrophobicContact CD1-CD1 4.27Å; F14-L18 PolarHBondContact O-N 2.78Å; F14-L18 VanDerWaalsContact O-N 3.15Å
15	M	34.8	Very low	34.4	Very low	142 Å²	142	121.2 Å²	121.2	70%	0.7	65%	0.653	S	S	*	*	H	α-helix	trans	-76.3	-29.2	175.9	-92.6	-158.3	-170.3	0	0	113.6	N19	M15-N19 PolarHBondContact O-N 3.4Å; M15-N19 PolarHBondContact O-ND2 3.37Å
16	V	39.8	Very low	34.6	Very low	99 Å²	99	116.2 Å²	116.2	60%	0.6	65%	0.646	S	S	*	*	H	α-helix	trans	-77.3	-35.6	177.5	179.2	0	0	0	0	111	A20	V16-A20 WeakPolarHBondContact O-CB 3.48Å; V16-A20 PolarHBondContact O-N 2.94Å
17	L	33.6	Very low	34.2	Very low	113 Å²	113	120.5 Å²	120.5	59%	0.592	65%	0.654	S	S	*	*	H	α-helix	trans	-71.7	-33.5	173.2	-99.4	144.6	0	0	0	113.3	G13 L21	G13-L17 PolarHBondContact O-N 3.34Å; L17-L21 HydrophobicContact CD2-CD1 4.47Å; L17-L21 WeakPolarHBondContact O-CB 3.5Å; L17-L21 PolarHBondContact O-N 3.44Å
18	L	32.6	Very low	34	Very low	100 Å²	100	115 Å²	115	52%	0.524	65%	0.653	S	S	.	*	H	α-helix	trans	-69.2	-38.5	174.1	-115.2	90.8	0	0	0	112.4	F14 L22	F14-L18 HydrophobicContact CD1-CD1 4.27Å; F14-L18 PolarHBondContact O-N 2.78Å; F14-L18 VanDerWaalsContact O-N 3.15Å; L18-L22 WeakPolarHBondContact O-CB 3.1Å; L18-L22 WeakPolarHBondContact O-CD1 3.14Å; L18-L22 PolarHBondContact O-N 3.33Å; L18-L22 VanDerWaalsContact O-N 3.13Å
19	N	31.8	Very low	34.2	Very low	97 Å²	97	110.9 Å²	110.9	52%	0.519	65%	0.651	S	S	.	*	H	α-helix	trans	-74.2	-31.4	176	-81.1	-50.6	0	0	0	112.8	M15 L22 I23	M15-N19 PolarHBondContact O-N 3.4Å; M15-N19 PolarHBondContact O-ND2 3.37Å; N19-L22 PolarHBondContact O-N 3.46Å; N19-I23 WeakPolarHBondContact O-CD1 3.39Å; N19-I23 VanDerWaalsContact O-CG1 3.31Å; N19-I23 WeakPolarHBondContact O-CG1 3.4Å; N19-I23 PolarHBondContact O-N 3.2Å
20	A	31.7	Very low	34.7	Very low	51 Å²	51	114.3 Å²	114.3	42%	0.421	65%	0.648	S	S	.	*	H	α-helix	trans	-70.7	-31.8	173.4	0	0	0	0	0	112.8	V16	V16-A20 WeakPolarHBondContact O-CB 3.48Å; V16-A20 PolarHBondContact O-N 2.94Å
21	L	29.4	Very low	35.4	Very low	125 Å²	125	110.2 Å²	110.2	65%	0.654	63%	0.629	S	S	*	*	H	α-helix	trans	-79.4	-17.4	173.2	-83.9	155.8	0	0	0	113.6	L17	L17-L21 HydrophobicContact CD2-CD1 4.47Å; L17-L21 WeakPolarHBondContact O-CB 3.5Å; L17-L21 PolarHBondContact O-N 3.44Å
22	L	29.8	Very low	36.4	Very low	117 Å²	117	110.7 Å²	110.7	61%	0.613	62%	0.624	S	S	*	*	H	α-helix	trans	-88.6	-13.6	174.6	-88.2	155	0	0	0	113.7	L18 N19	L18-L22 WeakPolarHBondContact O-CB 3.1Å; L18-L22 WeakPolarHBondContact O-CD1 3.14Å; L18-L22 PolarHBondContact O-N 3.33Å; L18-L22 VanDerWaalsContact O-N 3.13Å; N19-L22 PolarHBondContact O-N 3.46Å
23	I	32.1	Very low	37.4	Very low	124 Å²	124	108 Å²	108	64%	0.636	61%	0.606	S	S	*	*	H	α-helix	trans	-96.8	-16	178	-65.1	168	0	0	0	112.5	N19	N19-I23 WeakPolarHBondContact O-CD1 3.39Å; N19-I23 VanDerWaalsContact O-CG1 3.31Å; N19-I23 WeakPolarHBondContact O-CG1 3.4Å; N19-I23 PolarHBondContact O-N 3.2Å
24	F	29.6	Very low	38.9	Very low	197 Å²	197	107.3 Å²	107.3	86%	0.864	59%	0.593	S	S	*	*	S	Bend	trans	-97	12.8	175.3	-84.4	-80.7	0	0	0	114.7
25	A	31	Very low	40.8	Very low	73 Å²	73	101.1 Å²	101.1	60%	0.603	57%	0.567	S	S	*	*			trans	-124	48.2	-179.8	0	0	0	0	0	112.4
26	T	34.9	Very low	43.1	Very low	114 Å²	114	96.8 Å²	96.8	70%	0.699	55%	0.545	S	S	*	.	S	Bend	trans	-139.3	75.1	169	54.4	0	0	0	0	111.1
27	Q	32.8	Very low	45.4	Very low	195 Å²	195	92.1 Å²	92.1	91%	0.911	52%	0.517	S	S	*	.			trans	-175.6	30.6	139	-102.8	178	13.5	0	0	111.7	T29	Q27-T29 PolarHBondContact O-N 3.4Å
28	A	32.8	Very low	48	Very low	91 Å²	91	88.5 Å²	88.5	75%	0.752	50%	0.498	S	S	*	.	S	Bend	trans	-72.7	111.8	154.2	0	0	0	0	0	105.7	E30	A28-E30 PolarHBondContact O-N 3.41Å
29	T	39.6	Very low	50.7	Low	136 Å²	136	83.7 Å²	83.7	83%	0.834	47%	0.473	S	S	*	.			trans	-46.8	113.8	165.4	46.3	0	0	0	0	107.3	Q27 G31	Q27-T29 PolarHBondContact O-N 3.4Å; T29-G31 PolarHBondContact O-N 2.92Å
30	E	46.8	Very low	53.5	Low	143 Å²	143	81.2 Å²	81.2	67%	0.668	46%	0.458	S	S	*	.			trans	-56.9	104.9	-180	-76	-162.8	131.6	0	0	108.2	A28 V32 R82	A28-E30 PolarHBondContact O-N 3.41Å; E30-V32 PolarHBondContact O-N 2.97Å; E30-R82 VanDerWaalsContact CD-NH1 3.34Å; E30-R82 IonicContact OE1-CZ 3.45Å; E30-R82 IonicContact OE1-NH1 3.77Å; E30-R82 PolarHBondContact OE1-NH1 3.29Å; E30-R82 IonicContact OE1-NH2 2.63Å; E30-R82 PolarHBondContact OE1-NH2 2.8Å; E30-R82 VanDerWaalsContact OE1-NH2 3.16Å; E30-R82 IonicContact OE2-NH1 2.6Å; E30-R82 PolarHBondContact OE2-NH1 2.81Å
31	G	51.2	Low	56.3	Low	29 Å²	29	79 Å²	79	30%	0.299	44%	0.439	S	S	.	.			trans	-55.3	131.3	176.2	0	0	0	0	0	109.3	T29 L33	T29-G31 PolarHBondContact O-N 2.92Å; G31-L33 PolarHBondContact O-N 2.9Å
32	V	59.1	Low	59.1	Low	82 Å²	82	79.1 Å²	79.1	50%	0.497	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	96.5	177.9	179.8	0	0	0	0	107.1	E30 T34 G107	E30-V32 PolarHBondContact O-N 2.97Å; V32-T34 WeakPolarHBondContact O-CG2 3.48Å; V32-T34 PolarHBondContact O-N 3.41Å; V32-T34 VanDerWaalsContact O-N 3.13Å; V32-G107 PolarHBondContact N-O 2.81Å; V32-G107 WeakPolarHBondContact O-CA 3.33Å; V32-G107 PolarHBondContact O-N 2.9Å
33	L	60.6	Low	61.7	Low	48 Å²	48	79.3 Å²	79.3	25%	0.251	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	120.1	177.4	-69.9	167.7	0	0	0	109.8	G31 R82 E104 E106	G31-L33 PolarHBondContact O-N 2.9Å; L33-R82 HydrophobicContact CD1-CG 4.28Å; L33-E104 HydrophobicContact CD2-CG 4.36Å; L33-E106 HydrophobicContact CD2-CG 4.38Å
34	T	67.6	Low	64.1	Low	27 Å²	27	76.5 Å²	76.5	17%	0.166	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	155.3	178.2	77.2	0	0	0	0	110.8	V32 H36 S86 Q105	V32-T34 WeakPolarHBondContact O-CG2 3.48Å; V32-T34 PolarHBondContact O-N 3.41Å; V32-T34 VanDerWaalsContact O-N 3.13Å; T34-H36 PolarHBondContact O-N 3.2Å; T34-H36 WeakPolarHBondContact OG1-CB 3.43Å; T34-H36 PolarHBondContact OG1-N 3.1Å; T34-S86 PolarHBondContact O-OG 3.49Å; T34-Q105 WeakPolarHBondContact CB-O 3.39Å; T34-Q105 PolarHBondContact N-O 2.81Å; T34-Q105 PolarHBondContact OG1-O 2.85Å
35	D	74.3	Confident	66.9	Low	21 Å²	21	68.7 Å²	68.7	11%	0.112	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	14.2	171.1	-66.9	-42.8	0	0	0	111.9	P75 S86	D35-P75 HydrophobicContact CB-CB 4.13Å; D35-P75 HydrophobicContact CB-CG 3.88Å; D35-S86 WeakPolarHBondContact OD1-CB 3.26Å
36	H	84.5	Confident	69.5	Low	50 Å²	50	68.8 Å²	68.8	23%	0.231	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	128	172.8	-67.3	-78.3	0	0	0	110.5	T34 H72 Y74 Q105	T34-H36 PolarHBondContact O-N 3.2Å; T34-H36 WeakPolarHBondContact OG1-CB 3.43Å; T34-H36 PolarHBondContact OG1-N 3.1Å; H36-H72 AromaticContact CG-NE2 3.53Å; H36-H72 AromaticContact ND1-CE1 3.42Å; H36-H72 PolarHBondContact ND1-CE1 3.49Å; H36-H72 AromaticContact ND1-NE2 2.99Å; H36-H72 PolarHBondContact ND1-NE2 2.88Å; H36-Y74 WeakPolarHBondContact ND1-CB 3.25Å; H36-Q105 HydrophobicContact CB-CB 4.27Å; H36-Q105 WeakPolarHBondContact O-CB 3.36Å; H36-Q105 PolarHBondContact O-N 2.78Å; H36-Q105 VanDerWaalsContact O-N 3.08Å
37	L	86.6	Confident	72.1	Confident	2 Å²	2	69.5 Å²	69.5	1%	0.01	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	135.6	-178.8	-56.9	175.5	0	0	0	110.2	V39 L58 F73 I89 L93 V102 E104	L37-V39 HydrophobicContact CB-CG2 4.09Å; L37-L58 HydrophobicContact CD1-CD1 4.08Å; L37-F73 HydrophobicContact CB-CB 4.32Å; L37-F73 PolarHBondContact N-O 3.09Å; L37-F73 PolarHBondContact O-N 2.89Å; L37-I89 HydrophobicContact CD1-CG2 3.78Å; L37-L93 HydrophobicContact CD1-CD1 3.49Å; L37-L93 VanDerWaalsContact CD1-CD1 3.49Å; L37-V102 HydrophobicContact CB-CG1 4.4Å; L37-V102 HydrophobicContact CD1-CG1 4.38Å; L37-V102 HydrophobicContact CD2-CG1 4.44Å; L37-E104 HydrophobicContact CD2-CB 4.13Å; L37-E104 HydrophobicContact CD2-CG 4.18Å
38	L	89.9	Confident	74.7	Confident	36 Å²	36	61.8 Å²	61.8	19%	0.188	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	116.1	165.3	173.3	68.2	0	0	0	107.7	L64 L70 V102 F103	L38-L64 HydrophobicContact CD1-CD1 3.25Å; L38-L70 HydrophobicContact CD1-CB 4.45Å; L38-L70 HydrophobicContact CD1-CD2 4.26Å; L38-V102 CarbonylContact O-C 3.56Å; L38-V102 WeakPolarHBondContact O-CA 3.31Å; L38-F103 HydrophobicContact CB-CB 4.19Å; L38-F103 HydrophobicContact CD2-CB 4.47Å; L38-F103 HydrophobicContact CD2-CD2 4.07Å; L38-F103 HydrophobicContact CG-CD2 4.28Å; L38-F103 PolarHBondContact N-O 2.95Å; L38-F103 PolarHBondContact O-N 2.94Å
39	V	89.1	Confident	77.3	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.2	-175.8	-177.4	0	0	0	0	109	L37 L41 F71 F73 L93 V99 K101 V102	L37-V39 HydrophobicContact CB-CG2 4.09Å; V39-L41 HydrophobicContact CG1-CD2 3.74Å; V39-L41 HydrophobicContact CG1-CG 4.35Å; V39-F71 PolarHBondContact N-O 3.39Å; V39-F71 PolarHBondContact O-N 2.95Å; V39-F73 HydrophobicContact CB-CD1 3.94Å; V39-F73 HydrophobicContact CB-CD2 4.34Å; V39-F73 HydrophobicContact CB-CE1 3.79Å; V39-F73 HydrophobicContact CB-CE2 4.22Å; V39-F73 HydrophobicContact CB-CG 4.24Å; V39-F73 HydrophobicContact CB-CZ 3.95Å; V39-F73 HydrophobicContact CG1-CE1 4.16Å; V39-F73 HydrophobicContact CG1-CE2 4.16Å; V39-F73 HydrophobicContact CG1-CZ 3.87Å; V39-F73 HydrophobicContact CG2-CB 4.29Å; V39-F73 HydrophobicContact CG2-CD1 3.89Å; V39-F73 HydrophobicContact CG2-CD2 3.65Å; V39-F73 HydrophobicContact CG2-CE1 4.13Å; V39-F73 HydrophobicContact CG2-CE2 3.92Å; V39-F73 HydrophobicContact CG2-CG 3.67Å; V39-F73 HydrophobicContact CG2-CZ 4.16Å; V39-L93 HydrophobicContact CG2-CD1 4.27Å; V39-V99 HydrophobicContact CG1-CB 4.48Å; V39-V99 HydrophobicContact CG1-CG1 3.79Å; V39-V99 HydrophobicContact CG1-CG2 3.99Å; V39-K101 WeakPolarHBondContact CA-O 3.42Å; V39-V102 HydrophobicContact CG1-CG2 4.47Å; V39-V102 HydrophobicContact CG2-CG1 4.26Å; V39-V102 HydrophobicContact CG2-CG2 4.45Å
40	Q	90.7	Very high	79.7	Confident	44 Å²	44	54.7 Å²	54.7	21%	0.206	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	122.7	169.2	-168	172.9	27.2	0	0	109	G69 L70 K100 K101	Q40-G69 CarbonylContact C-O 3.59Å; Q40-G69 VanDerWaalsContact CA-O 3.25Å; Q40-G69 WeakPolarHBondContact CA-O 3.3Å; Q40-L70 HydrophobicContact CB-CD2 3.85Å; Q40-L70 HydrophobicContact CG-CD2 3.97Å; Q40-K100 HydrophobicContact CB-CB 4.38Å; Q40-K100 HydrophobicContact CG-CB 4.34Å; Q40-K100 HydrophobicContact CG-CD 4.29Å; Q40-K100 WeakPolarHBondContact O-CA 3.34Å; Q40-K100 WeakPolarHBondContact O-CB 3.31Å; Q40-K100 PolarHBondContact O-N 2.83Å; Q40-K101 HydrophobicContact CB-CB 4.25Å; Q40-K101 PolarHBondContact N-O 2.87Å; Q40-K101 PolarHBondContact O-N 3.27Å
41	L	90.3	Very high	81.7	Confident	5 Å²	5	52.8 Å²	52.8	3%	0.026	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	162.4	175.4	-58.8	179.5	0	0	0	111.3	V39 E43 A49 G69 F71 F73 R98 V99	V39-L41 HydrophobicContact CG1-CD2 3.74Å; V39-L41 HydrophobicContact CG1-CG 4.35Å; L41-E43 WeakPolarHBondContact CB-O 3.25Å; L41-A49 VanDerWaalsContact CD1-CA 3.46Å; L41-A49 HydrophobicContact CD1-CB 3.51Å; L41-G69 PolarHBondContact N-O 3.18Å; L41-F71 HydrophobicContact CB-CD2 4.2Å; L41-F71 HydrophobicContact CB-CE2 4.01Å; L41-F71 HydrophobicContact CD1-CD2 3.67Å; L41-F71 HydrophobicContact CD1-CE2 3.74Å; L41-F71 HydrophobicContact CD1-CG 4.41Å; L41-F71 HydrophobicContact CG-CD2 3.77Å; L41-F71 HydrophobicContact CG-CE2 4.01Å; L41-F73 HydrophobicContact CD2-CZ 4.46Å; L41-R98 WeakPolarHBondContact CA-O 3.45Å; L41-R98 WeakPolarHBondContact CD2-O 3.29Å; L41-V99 HydrophobicContact CD2-CB 4.29Å; L41-V99 HydrophobicContact CD2-CG2 3.61Å
42	H	86.8	Confident	83.5	Confident	128 Å²	128	51.4 Å²	51.4	59%	0.593	26%	0.262	S	S	*	.	S	Bend	trans	-72.7	-38.1	173.8	-78.8	-78	0	0	0	112.5	R98	H42-R98 PolarHBondContact N-O 3.21Å
43	E	85.1	Confident	84.9	Confident	120 Å²	120	47.5 Å²	47.5	56%	0.561	24%	0.239	S	C	*	.	S	Bend	trans	-102.1	140.8	174.3	-65	-165.2	-170.4	0	0	110.9	L41 A45 E48	L41-E43 WeakPolarHBondContact CB-O 3.25Å; E43-A45 PolarHBondContact O-N 2.04Å; E43-A45 VanDerWaalsContact O-N 3.12Å; E43-E48 VanDerWaalsContact CB-OE2 3.31Å; E43-E48 WeakPolarHBondContact CB-OE2 3.39Å
44	D	83.3	Confident	86.2	Confident	65 Å²	65	48.2 Å²	48.2	35%	0.348	25%	0.245	S	C	.	.			trans	-90.5	50	-179.1	-167.5	16.1	0	0	0	111.9	K63 G69	D44-K63 WeakPolarHBondContact OD1-CE 3.08Å; D44-K63 IonicContact OD1-NZ 3.44Å; D44-K63 PolarHBondContact OD1-NZ 3.48Å; D44-K63 WeakPolarHBondContact OD2-CE 3.05Å; D44-K63 IonicContact OD2-NZ 3.42Å; D44-K63 PolarHBondContact OD2-NZ 3.38Å; D44-G69 VanDerWaalsContact CG-N 3.32Å; D44-G69 PolarHBondContact OD1-N 2.8Å
45	A	86.9	Confident	87.2	Confident	34 Å²	34	52.8 Å²	52.8	28%	0.281	26%	0.264	S	S	.	.			trans	-112.6	115.1	-174.9	0	0	0	0	0	111.9	E43 N47 E48 A49	E43-A45 PolarHBondContact O-N 2.04Å; E43-A45 VanDerWaalsContact O-N 3.12Å; A45-N47 VanDerWaalsContact C-N 3.26Å; A45-N47 PolarHBondContact O-N 2.76Å; A45-E48 HydrophobicContact CB-CB 4.05Å; A45-E48 PolarHBondContact O-N 3.42Å; A45-E48 VanDerWaalsContact O-N 3.15Å; A45-A49 PolarHBondContact O-N 2.86Å
46	Q	87.1	Confident	87.8	Confident	75 Å²	75	53.2 Å²	53.2	35%	0.35	27%	0.266	S	S	.	.	H	α-helix	trans	-57.6	-36.6	179	176.5	61.6	29.8	0	0	113.2	A49 H50 A61 K63	Q46-A49 PolarHBondContact O-N 3.33Å; Q46-H50 PolarHBondContact O-N 3.32Å; Q46-A61 PolarHBondContact NE2-O 2.91Å; Q46-K63 VanDerWaalsContact OE1-CB 3.26Å
47	N	88.4	Confident	87.6	Confident	129 Å²	129	52.9 Å²	52.9	69%	0.69	28%	0.276	S	S	*	.	H	α-helix	trans	-67.7	-39.4	179.1	-68.9	-17.9	0	0	0	111.7	A45 H50 Q51	A45-N47 VanDerWaalsContact C-N 3.26Å; A45-N47 PolarHBondContact O-N 2.76Å; N47-H50 PolarHBondContact O-N 2.92Å; N47-Q51 WeakPolarHBondContact O-CG 3.32Å; N47-Q51 PolarHBondContact O-N 3.45Å; N47-Q51 VanDerWaalsContact O-N 3.1Å
48	E	88.1	Confident	87.5	Confident	32 Å²	32	53.4 Å²	53.4	15%	0.15	28%	0.278	C	S	.	.	H	α-helix	trans	-68	-44.1	176.3	-174.2	177.9	168.9	0	0	110.8	E43 A45 H50 Q51 V52 R98	E43-E48 VanDerWaalsContact CB-OE2 3.31Å; E43-E48 WeakPolarHBondContact CB-OE2 3.39Å; A45-E48 HydrophobicContact CB-CB 4.05Å; A45-E48 PolarHBondContact O-N 3.42Å; A45-E48 VanDerWaalsContact O-N 3.15Å; E48-H50 VanDerWaalsContact C-N 3.27Å; E48-H50 PolarHBondContact O-N 2.77Å; E48-Q51 WeakPolarHBondContact O-CB 3.39Å; E48-Q51 PolarHBondContact O-N 3.47Å; E48-V52 HydrophobicContact CG-CG2 4.27Å; E48-V52 VanDerWaalsContact O-CG2 3.29Å; E48-V52 WeakPolarHBondContact O-CG2 3.34Å; E48-V52 PolarHBondContact O-N 2.67Å; E48-R98 WeakPolarHBondContact OE1-CB 3.37Å; E48-R98 WeakPolarHBondContact OE1-CD 3.41Å; E48-R98 WeakPolarHBondContact OE1-CG 3.32Å
49	A	87.6	Confident	87.3	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-57.4	-41.1	176	0	0	0	0	0	112.6	L41 A45 Q46 V52 A53 A61 F71 F73	L41-A49 VanDerWaalsContact CD1-CA 3.46Å; L41-A49 HydrophobicContact CD1-CB 3.51Å; A45-A49 PolarHBondContact O-N 2.86Å; Q46-A49 PolarHBondContact O-N 3.33Å; A49-V52 PolarHBondContact O-N 3.11Å; A49-A53 WeakPolarHBondContact O-CB 3.47Å; A49-A53 PolarHBondContact O-N 2.82Å; A49-A61 VanDerWaalsContact C-CB 3.43Å; A49-A61 HydrophobicContact CB-CB 3.66Å; A49-A61 VanDerWaalsContact O-CB 3.29Å; A49-A61 WeakPolarHBondContact O-CB 3.11Å; A49-F71 HydrophobicContact CB-CB 4.14Å; A49-F71 HydrophobicContact CB-CD1 3.25Å; A49-F71 HydrophobicContact CB-CD2 3.9Å; A49-F71 HydrophobicContact CB-CE1 3.51Å; A49-F71 HydrophobicContact CB-CE2 4.11Å; A49-F71 HydrophobicContact CB-CG 3.48Å; A49-F71 VanDerWaalsContact CB-CG 3.48Å; A49-F71 HydrophobicContact CB-CZ 3.94Å; A49-F73 HydrophobicContact CB-CE1 4.19Å
50	H	89.9	Confident	87.2	Confident	79 Å²	79	56.5 Å²	56.5	37%	0.366	29%	0.294	S	S	.	.	H	α-helix	trans	-64.5	-40.9	175.4	-174.3	77	0	0	0	112.2	Q46 N47 E48 A53 T54 S60	Q46-H50 PolarHBondContact O-N 3.32Å; N47-H50 PolarHBondContact O-N 2.92Å; E48-H50 VanDerWaalsContact C-N 3.27Å; E48-H50 PolarHBondContact O-N 2.77Å; H50-A53 PolarHBondContact O-N 3.23Å; H50-T54 WeakPolarHBondContact O-CG2 3.42Å; H50-T54 PolarHBondContact O-N 2.79Å; H50-T54 PolarHBondContact O-OG1 2.77Å; H50-S60 PolarHBondContact CE1-OG 3.18Å; H50-S60 PolarHBondContact ND1-OG 3.03Å
51	Q	88.9	Confident	87.1	Confident	103 Å²	103	54.4 Å²	54.4	48%	0.481	28%	0.284	S	S	.	.	H	α-helix	trans	-64.6	-43.7	175.3	-71.7	175.6	5.8	0	0	112.3	N47 E48 T54 Q55	N47-Q51 WeakPolarHBondContact O-CG 3.32Å; N47-Q51 PolarHBondContact O-N 3.45Å; N47-Q51 VanDerWaalsContact O-N 3.1Å; E48-Q51 WeakPolarHBondContact O-CB 3.39Å; E48-Q51 PolarHBondContact O-N 3.47Å; Q51-T54 PolarHBondContact O-N 2.94Å; Q51-T54 PolarHBondContact O-OG1 3.48Å; Q51-Q55 WeakPolarHBondContact O-CB 3.48Å; Q51-Q55 WeakPolarHBondContact O-CG 3.36Å; Q51-Q55 PolarHBondContact O-N 2.89Å
52	V	89.5	Confident	87.1	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-63.7	-45.3	177	-178.5	0	0	0	0	110	E48 A49 T54 Q55 H56 F73 L93 R98 V99	E48-V52 HydrophobicContact CG-CG2 4.27Å; E48-V52 VanDerWaalsContact O-CG2 3.29Å; E48-V52 WeakPolarHBondContact O-CG2 3.34Å; E48-V52 PolarHBondContact O-N 2.67Å; A49-V52 PolarHBondContact O-N 3.11Å; V52-T54 PolarHBondContact O-N 2.91Å; V52-Q55 PolarHBondContact O-N 3.11Å; V52-H56 PolarHBondContact O-CD2 2.87Å; V52-H56 PolarHBondContact O-N 2.75Å; V52-F73 HydrophobicContact CB-CE2 4.17Å; V52-F73 HydrophobicContact CB-CZ 4.06Å; V52-F73 HydrophobicContact CG1-CE2 3.84Å; V52-F73 HydrophobicContact CG1-CZ 4.05Å; V52-L93 HydrophobicContact CG1-CD2 3.76Å; V52-R98 HydrophobicContact CG2-CB 4.3Å; V52-V99 HydrophobicContact CG1-CG2 3.97Å
53	A	87.9	Confident	87.2	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-59.6	-47	178.7	0	0	0	0	0	112.4	A49 H50 H56 G57 L58 A61 F73	A49-A53 WeakPolarHBondContact O-CB 3.47Å; A49-A53 PolarHBondContact O-N 2.82Å; H50-A53 PolarHBondContact O-N 3.23Å; A53-H56 PolarHBondContact O-N 2.87Å; A53-G57 PolarHBondContact O-N 3.31Å; A53-L58 HydrophobicContact CB-CB 4.27Å; A53-L58 WeakPolarHBondContact O-CB 3.34Å; A53-L58 PolarHBondContact O-N 3.1Å; A53-A61 HydrophobicContact CB-CB 3.98Å; A53-F73 HydrophobicContact CB-CB 4.49Å; A53-F73 HydrophobicContact CB-CD1 4.34Å; A53-F73 HydrophobicContact CB-CD2 3.65Å; A53-F73 HydrophobicContact CB-CE1 4.47Å; A53-F73 HydrophobicContact CB-CE2 3.79Å; A53-F73 HydrophobicContact CB-CG 3.92Å; A53-F73 HydrophobicContact CB-CZ 4.2Å
54	T	87.1	Confident	87.3	Confident	62 Å²	62	55.4 Å²	55.4	38%	0.38	28%	0.281	S	S	.	.	H	α-helix	trans	-67.4	-39.5	-179.4	50.2	0	0	0	0	112.9	H50 Q51 V52 H56 G57 L58	H50-T54 WeakPolarHBondContact O-CG2 3.42Å; H50-T54 PolarHBondContact O-N 2.79Å; H50-T54 PolarHBondContact O-OG1 2.77Å; Q51-T54 PolarHBondContact O-N 2.94Å; Q51-T54 PolarHBondContact O-OG1 3.48Å; V52-T54 PolarHBondContact O-N 2.91Å; T54-H56 PolarHBondContact O-N 3.2Å; T54-G57 PolarHBondContact O-N 2.9Å; T54-G57 VanDerWaalsContact O-N 3.09Å; T54-L58 WeakPolarHBondContact CA-O 3.35Å
55	Q	89	Confident	87.3	Confident	123 Å²	123	58.2 Å²	58.2	58%	0.575	30%	0.303	S	S	*	.	H	α-helix	trans	-62	-29.9	175.4	-75.6	175.6	2.6	0	0	113.1	Q51 V52	Q51-Q55 WeakPolarHBondContact O-CB 3.48Å; Q51-Q55 WeakPolarHBondContact O-CG 3.36Å; Q51-Q55 PolarHBondContact O-N 2.89Å; V52-Q55 PolarHBondContact O-N 3.11Å
56	H	86.3	Confident	87.1	Confident	31 Å²	31	63.7 Å²	63.7	14%	0.144	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	11.8	178.1	-71.7	-97.7	0	0	0	113.6	V52 A53 T54 S92 L93 D96	V52-H56 PolarHBondContact O-CD2 2.87Å; V52-H56 PolarHBondContact O-N 2.75Å; A53-H56 PolarHBondContact O-N 2.87Å; T54-H56 PolarHBondContact O-N 3.2Å; H56-S92 PolarHBondContact CE1-O 2.94Å; H56-S92 PolarHBondContact CE1-OG 2.92Å; H56-S92 VanDerWaalsContact CE1-OG 3.27Å; H56-S92 PolarHBondContact ND1-OG 2.68Å; H56-L93 HydrophobicContact CB-CD2 3.79Å; H56-L93 HydrophobicContact CB-CG 4.04Å; H56-L93 VanDerWaalsContact CG-CD2 3.44Å; H56-D96 IonicContact NE2-OD2 3.04Å; H56-D96 PolarHBondContact NE2-OD2 3.32Å; H56-D96 VanDerWaalsContact NE2-OD2 3.13Å
57	G	81.8	Confident	86.6	Confident	43 Å²	43	61.3 Å²	61.3	44%	0.443	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	23.7	172.2	0	0	0	0	0	115	A53 T54	A53-G57 PolarHBondContact O-N 3.31Å; T54-G57 PolarHBondContact O-N 2.9Å; T54-G57 VanDerWaalsContact O-N 3.09Å
58	L	84.5	Confident	86.4	Confident	12 Å²	12	61.6 Å²	61.6	6%	0.063	32%	0.318	C	S	.	.			trans	-102.7	160.6	171.1	-61.3	167.1	0	0	0	110	L37 A53 T54 F73 I89 L93	L37-L58 HydrophobicContact CD1-CD1 4.08Å; A53-L58 HydrophobicContact CB-CB 4.27Å; A53-L58 WeakPolarHBondContact O-CB 3.34Å; A53-L58 PolarHBondContact O-N 3.1Å; T54-L58 WeakPolarHBondContact CA-O 3.35Å; L58-F73 HydrophobicContact CD1-CB 3.6Å; L58-F73 HydrophobicContact CD1-CD2 3.83Å; L58-F73 HydrophobicContact CD1-CG 4.24Å; L58-I89 HydrophobicContact CD1-CG2 3.9Å; L58-I89 HydrophobicContact CD2-CD1 4.05Å; L58-I89 HydrophobicContact CD2-CG2 4.41Å; L58-I89 HydrophobicContact CG-CG2 4.16Å; L58-L93 HydrophobicContact CD1-CD1 4.3Å
59	Q	84.3	Confident	86.3	Confident	85 Å²	85	60.3 Å²	60.3	40%	0.397	31%	0.313	S	S	.	.	S	Bend	trans	-72.1	-45.6	-173.9	-174.1	-174.9	17.6	0	0	111.7	Y74 P75 Q76	Q59-Y74 HydrophobicContact CB-CD2 4.48Å; Q59-Y74 HydrophobicContact CB-CE2 4.47Å; Q59-Y74 WeakPolarHBondContact CB-O 3.47Å; Q59-Y74 PolarHBondContact N-O 3.48Å; Q59-P75 PolarHBondContact OE1-O 2.78Å; Q59-Q76 HydrophobicContact CB-CB 4.04Å; Q59-Q76 HydrophobicContact CG-CB 4.15Å; Q59-Q76 HydrophobicContact CG-CG 4.3Å
60	S	87.3	Confident	86.4	Confident	16 Å²	16	61.8 Å²	61.8	11%	0.112	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	172	-175	-173.8	0	0	0	0	110.6	H50 Y74	H50-S60 PolarHBondContact CE1-OG 3.18Å; H50-S60 PolarHBondContact ND1-OG 3.03Å; S60-Y74 WeakPolarHBondContact CB-OH 3.45Å; S60-Y74 PolarHBondContact O-N 2.9Å
61	A	89	Confident	86.4	Confident	1 Å²	1	58 Å²	58	1%	0.008	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	148.1	168.8	0	0	0	0	0	110	Q46 A49 A53 F71 H72 F73	Q46-A61 PolarHBondContact NE2-O 2.91Å; A49-A61 VanDerWaalsContact C-CB 3.43Å; A49-A61 HydrophobicContact CB-CB 3.66Å; A49-A61 VanDerWaalsContact O-CB 3.29Å; A49-A61 WeakPolarHBondContact O-CB 3.11Å; A53-A61 HydrophobicContact CB-CB 3.98Å; A61-F71 HydrophobicContact CB-CB 4.4Å; A61-H72 CarbonylContact C-O 3.6Å; A61-H72 VanDerWaalsContact CA-O 3.26Å; A61-H72 WeakPolarHBondContact CA-O 3.29Å; A61-F73 HydrophobicContact CB-CD1 3.4Å; A61-F73 VanDerWaalsContact CB-CD1 3.4Å; A61-F73 HydrophobicContact CB-CE1 3.39Å; A61-F73 HydrophobicContact CB-CG 4.27Å; A61-F73 HydrophobicContact CB-CZ 4.24Å
62	R	89.6	Confident	86.5	Confident	167 Å²	167	55.8 Å²	55.8	63%	0.63	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.4	126.7	171.5	179.5	-180	177.5	-179.3	1.4	110.1	L64 F71 H72 Y74	R62-L64 PolarHBondContact O-N 3.48Å; R62-F71 CarbonylContact O-C 3.55Å; R62-F71 WeakPolarHBondContact O-CA 3.47Å; R62-H72 PolarHBondContact N-O 3Å; R62-H72 PolarHBondContact O-N 3.29Å; R62-Y74 HydrophobicContact CB-CE1 4.26Å
63	K	89.6	Confident	86.6	Confident	81 Å²	81	55.8 Å²	55.8	35%	0.352	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	133.6	172.1	-172.4	169.9	177.7	168.3	0	110.8	D44 Q46 F71	D44-K63 WeakPolarHBondContact OD1-CE 3.08Å; D44-K63 IonicContact OD1-NZ 3.44Å; D44-K63 PolarHBondContact OD1-NZ 3.48Å; D44-K63 WeakPolarHBondContact OD2-CE 3.05Å; D44-K63 IonicContact OD2-NZ 3.42Å; D44-K63 PolarHBondContact OD2-NZ 3.38Å; Q46-K63 VanDerWaalsContact OE1-CB 3.26Å; K63-F71 HydrophobicContact CB-CD1 3.87Å; K63-F71 HydrophobicContact CB-CE1 3.67Å; K63-F71 HydrophobicContact CD-CE1 4.31Å; K63-F71 HydrophobicContact CG-CD1 4.39Å; K63-F71 HydrophobicContact CG-CE1 3.95Å
64	L	87.8	Confident	86.5	Confident	25 Å²	25	59 Å²	59	13%	0.131	31%	0.305	C	S	.	.			trans	-91.5	134.9	177	-65.6	173.7	0	0	0	109.6	L38 R62 F66 L70 H72	L38-L64 HydrophobicContact CD1-CD1 3.25Å; R62-L64 PolarHBondContact O-N 3.48Å; L64-F66 HydrophobicContact CB-CD2 4.41Å; L64-F66 HydrophobicContact CB-CE1 4.18Å; L64-F66 HydrophobicContact CB-CE2 4.03Å; L64-F66 HydrophobicContact CB-CZ 3.9Å; L64-F66 HydrophobicContact CD1-CE2 3.91Å; L64-F66 HydrophobicContact CD1-CZ 3.8Å; L64-F66 HydrophobicContact CD2-CE1 4.13Å; L64-F66 HydrophobicContact CD2-CZ 3.85Å; L64-F66 HydrophobicContact CG-CE2 4.43Å; L64-F66 HydrophobicContact CG-CZ 4.07Å; L64-F66 PolarHBondContact O-N 2.84Å; L64-L70 HydrophobicContact CB-CB 4.24Å; L64-L70 HydrophobicContact CD1-CB 4.33Å; L64-L70 PolarHBondContact N-O 3.41Å; L64-H72 HydrophobicContact CD1-CB 4.37Å; L64-H72 HydrophobicContact CD2-CB 3.99Å; L64-H72 HydrophobicContact CG-CB 4.26Å
65	P	83.4	Confident	86.2	Confident	124 Å²	124	57.1 Å²	57.1	81%	0.805	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-5.3	-173.7	30.7	-35.2	0	0	0	113.7
66	F	81.4	Confident	85.3	Confident	150 Å²	150	58.8 Å²	58.8	66%	0.658	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.5	26.6	-171.4	49.2	-103	0	0	0	113.7	L64	L64-F66 HydrophobicContact CB-CD2 4.41Å; L64-F66 HydrophobicContact CB-CE1 4.18Å; L64-F66 HydrophobicContact CB-CE2 4.03Å; L64-F66 HydrophobicContact CB-CZ 3.9Å; L64-F66 HydrophobicContact CD1-CE2 3.91Å; L64-F66 HydrophobicContact CD1-CZ 3.8Å; L64-F66 HydrophobicContact CD2-CE1 4.13Å; L64-F66 HydrophobicContact CD2-CZ 3.85Å; L64-F66 HydrophobicContact CG-CE2 4.43Å; L64-F66 HydrophobicContact CG-CZ 4.07Å; L64-F66 PolarHBondContact O-N 2.84Å
67	G	77.9	Confident	84.3	Confident	25 Å²	25	65.3 Å²	65.3	26%	0.258	33%	0.332	S	S	.	.	S	Bend	trans	171.5	147.4	166.9	0	0	0	0	0	114.2	L70	G67-L70 PolarHBondContact O-N 2.82Å
68	D	83.2	Confident	83.2	Confident	135 Å²	135	68.4 Å²	68.4	72%	0.722	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	132.2	-175.9	-60.7	-28.1	0	0	0	111.8	L70	D68-L70 PolarHBondContact O-N 2.93Å
69	G	85.4	Confident	81.8	Confident	4 Å²	4	71 Å²	71	4%	0.041	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	13.8	179.8	0	0	0	0	0	114.3	Q40 L41 D44 F71	Q40-G69 CarbonylContact C-O 3.59Å; Q40-G69 VanDerWaalsContact CA-O 3.25Å; Q40-G69 WeakPolarHBondContact CA-O 3.3Å; L41-G69 PolarHBondContact N-O 3.18Å; D44-G69 VanDerWaalsContact CG-N 3.32Å; D44-G69 PolarHBondContact OD1-N 2.8Å; G69-F71 VanDerWaalsContact O-CD2 3.24Å; G69-F71 WeakPolarHBondContact O-CD2 3.28Å; G69-F71 WeakPolarHBondContact O-CE2 2.95Å
70	L	90.7	Very high	80.3	Confident	31 Å²	31	76.6 Å²	76.6	16%	0.162	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	126.7	175.8	-69.3	178.8	0	0	0	111.6	L38 Q40 L64 G67 D68	L38-L70 HydrophobicContact CD1-CB 4.45Å; L38-L70 HydrophobicContact CD1-CD2 4.26Å; Q40-L70 HydrophobicContact CB-CD2 3.85Å; Q40-L70 HydrophobicContact CG-CD2 3.97Å; L64-L70 HydrophobicContact CB-CB 4.24Å; L64-L70 HydrophobicContact CD1-CB 4.33Å; L64-L70 PolarHBondContact N-O 3.41Å; G67-L70 PolarHBondContact O-N 2.82Å; D68-L70 PolarHBondContact O-N 2.93Å
71	F	90.5	Very high	78.8	Confident	0 Å²	0	85.9 Å²	85.9	0%	0	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	139.7	-178.2	-60.3	-87.2	0	0	0	110.9	V39 L41 A49 A61 R62 K63 G69 F73	V39-F71 PolarHBondContact N-O 3.39Å; V39-F71 PolarHBondContact O-N 2.95Å; L41-F71 HydrophobicContact CB-CD2 4.2Å; L41-F71 HydrophobicContact CB-CE2 4.01Å; L41-F71 HydrophobicContact CD1-CD2 3.67Å; L41-F71 HydrophobicContact CD1-CE2 3.74Å; L41-F71 HydrophobicContact CD1-CG 4.41Å; L41-F71 HydrophobicContact CG-CD2 3.77Å; L41-F71 HydrophobicContact CG-CE2 4.01Å; A49-F71 HydrophobicContact CB-CB 4.14Å; A49-F71 HydrophobicContact CB-CD1 3.25Å; A49-F71 HydrophobicContact CB-CD2 3.9Å; A49-F71 HydrophobicContact CB-CE1 3.51Å; A49-F71 HydrophobicContact CB-CE2 4.11Å; A49-F71 HydrophobicContact CB-CG 3.48Å; A49-F71 VanDerWaalsContact CB-CG 3.48Å; A49-F71 HydrophobicContact CB-CZ 3.94Å; A61-F71 HydrophobicContact CB-CB 4.4Å; R62-F71 CarbonylContact O-C 3.55Å; R62-F71 WeakPolarHBondContact O-CA 3.47Å; K63-F71 HydrophobicContact CB-CD1 3.87Å; K63-F71 HydrophobicContact CB-CE1 3.67Å; K63-F71 HydrophobicContact CD-CE1 4.31Å; K63-F71 HydrophobicContact CG-CD1 4.39Å; K63-F71 HydrophobicContact CG-CE1 3.95Å; G69-F71 VanDerWaalsContact O-CD2 3.24Å; G69-F71 WeakPolarHBondContact O-CD2 3.28Å; G69-F71 WeakPolarHBondContact O-CE2 2.95Å; F71-F73 HydrophobicContact CB-CD1 3.94Å; F71-F73 HydrophobicContact CB-CE1 3.6Å; F71-F73 HydrophobicContact CG-CE1 4.45Å
72	H	91.2	Very high	77.3	Confident	57 Å²	57	93.6 Å²	93.6	26%	0.264	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	112.8	170.6	176.4	-150.3	0	0	0	109.4	H36 A61 R62 L64	H36-H72 AromaticContact CG-NE2 3.53Å; H36-H72 AromaticContact ND1-CE1 3.42Å; H36-H72 PolarHBondContact ND1-CE1 3.49Å; H36-H72 AromaticContact ND1-NE2 2.99Å; H36-H72 PolarHBondContact ND1-NE2 2.88Å; A61-H72 CarbonylContact C-O 3.6Å; A61-H72 VanDerWaalsContact CA-O 3.26Å; A61-H72 WeakPolarHBondContact CA-O 3.29Å; R62-H72 PolarHBondContact N-O 3Å; R62-H72 PolarHBondContact O-N 3.29Å; L64-H72 HydrophobicContact CD1-CB 4.37Å; L64-H72 HydrophobicContact CD2-CB 3.99Å; L64-H72 HydrophobicContact CG-CB 4.26Å
73	F	90.8	Very high	75.7	Confident	0 Å²	0	87.3 Å²	87.3	0%	0	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	132	174.7	-68.2	20.5	0	0	0	108.6	L37 V39 L41 A49 V52 A53 L58 A61 F71 L93	L37-F73 HydrophobicContact CB-CB 4.32Å; L37-F73 PolarHBondContact N-O 3.09Å; L37-F73 PolarHBondContact O-N 2.89Å; V39-F73 HydrophobicContact CB-CD1 3.94Å; V39-F73 HydrophobicContact CB-CD2 4.34Å; V39-F73 HydrophobicContact CB-CE1 3.79Å; V39-F73 HydrophobicContact CB-CE2 4.22Å; V39-F73 HydrophobicContact CB-CG 4.24Å; V39-F73 HydrophobicContact CB-CZ 3.95Å; V39-F73 HydrophobicContact CG1-CE1 4.16Å; V39-F73 HydrophobicContact CG1-CE2 4.16Å; V39-F73 HydrophobicContact CG1-CZ 3.87Å; V39-F73 HydrophobicContact CG2-CB 4.29Å; V39-F73 HydrophobicContact CG2-CD1 3.89Å; V39-F73 HydrophobicContact CG2-CD2 3.65Å; V39-F73 HydrophobicContact CG2-CE1 4.13Å; V39-F73 HydrophobicContact CG2-CE2 3.92Å; V39-F73 HydrophobicContact CG2-CG 3.67Å; V39-F73 HydrophobicContact CG2-CZ 4.16Å; L41-F73 HydrophobicContact CD2-CZ 4.46Å; A49-F73 HydrophobicContact CB-CE1 4.19Å; V52-F73 HydrophobicContact CB-CE2 4.17Å; V52-F73 HydrophobicContact CB-CZ 4.06Å; V52-F73 HydrophobicContact CG1-CE2 3.84Å; V52-F73 HydrophobicContact CG1-CZ 4.05Å; A53-F73 HydrophobicContact CB-CB 4.49Å; A53-F73 HydrophobicContact CB-CD1 4.34Å; A53-F73 HydrophobicContact CB-CD2 3.65Å; A53-F73 HydrophobicContact CB-CE1 4.47Å; A53-F73 HydrophobicContact CB-CE2 3.79Å; A53-F73 HydrophobicContact CB-CG 3.92Å; A53-F73 HydrophobicContact CB-CZ 4.2Å; L58-F73 HydrophobicContact CD1-CB 3.6Å; L58-F73 HydrophobicContact CD1-CD2 3.83Å; L58-F73 HydrophobicContact CD1-CG 4.24Å; A61-F73 HydrophobicContact CB-CD1 3.4Å; A61-F73 VanDerWaalsContact CB-CD1 3.4Å; A61-F73 HydrophobicContact CB-CE1 3.39Å; A61-F73 HydrophobicContact CB-CG 4.27Å; A61-F73 HydrophobicContact CB-CZ 4.24Å; F71-F73 HydrophobicContact CB-CD1 3.94Å; F71-F73 HydrophobicContact CB-CE1 3.6Å; F71-F73 HydrophobicContact CG-CE1 4.45Å; F73-L93 HydrophobicContact CD2-CD1 4.12Å; F73-L93 HydrophobicContact CD2-CD2 4.24Å; F73-L93 HydrophobicContact CE2-CD1 4.46Å; F73-L93 HydrophobicContact CE2-CD2 3.82Å
74	Y	86.4	Confident	74.3	Confident	68 Å²	68	93 Å²	93	27%	0.267	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	151.1	-172.3	58.7	-90.5	0	0	0	113.1	H36 Q59 S60 R62	H36-Y74 WeakPolarHBondContact ND1-CB 3.25Å; Q59-Y74 HydrophobicContact CB-CD2 4.48Å; Q59-Y74 HydrophobicContact CB-CE2 4.47Å; Q59-Y74 WeakPolarHBondContact CB-O 3.47Å; Q59-Y74 PolarHBondContact N-O 3.48Å; S60-Y74 WeakPolarHBondContact CB-OH 3.45Å; S60-Y74 PolarHBondContact O-N 2.9Å; R62-Y74 HydrophobicContact CB-CE1 4.26Å
75	P	81.1	Confident	73	Confident	22 Å²	22	99.1 Å²	99.1	14%	0.143	47%	0.474	C	S	.	.			trans	-80.4	166.1	-179.9	37.1	-39.8	0	0	0	111.7	D35 Q59 E77	D35-P75 HydrophobicContact CB-CB 4.13Å; D35-P75 HydrophobicContact CB-CG 3.88Å; Q59-P75 PolarHBondContact OE1-O 2.78Å; P75-E77 WeakPolarHBondContact CG-O 3.29Å
76	Q	68.9	Low	72.2	Confident	158 Å²	158	93.3 Å²	93.3	74%	0.738	44%	0.436	S	S	*	.	S	Bend	trans	-72.6	-29.2	178.1	-169.3	172.9	-4	0	0	113.4	Q59	Q59-Q76 HydrophobicContact CB-CB 4.04Å; Q59-Q76 HydrophobicContact CG-CB 4.15Å; Q59-Q76 HydrophobicContact CG-CG 4.3Å
77	E	64.9	Low	71.7	Confident	167 Å²	167	89.1 Å²	89.1	78%	0.78	42%	0.423	S	S	*	.	S	Bend	trans	-133	138.6	173.9	-71.6	-175.7	166	0	0	109.5	P75 S79	P75-E77 WeakPolarHBondContact CG-O 3.29Å; E77-S79 PolarHBondContact O-N 3.34Å
78	T	59.1	Low	71.7	Confident	109 Å²	109	97.4 Å²	97.4	67%	0.669	45%	0.446	S	S	*	.			trans	-77.6	100.8	176	40	0	0	0	0	110	K80	T78-K80 PolarHBondContact O-N 3.06Å
79	S	56.3	Low	71.6	Confident	65 Å²	65	91.8 Å²	91.8	46%	0.455	42%	0.416	S	S	.	.			trans	-62.7	125.6	171.5	170.5	0	0	0	0	110.4	E77 R81	E77-S79 PolarHBondContact O-N 3.34Å; S79-R81 PolarHBondContact O-N 3.32Å; S79-R81 PolarHBondContact OG-N 3.37Å; S79-R81 PolarHBondContact OG-O 3Å
80	K	52.9	Low	71.4	Confident	204 Å²	204	94.1 Å²	94.1	89%	0.887	43%	0.425	S	S	*	.	S	Bend	trans	-75.5	3.2	172.7	-68.8	-174	178.8	-179.4	0	113.8	T78	T78-K80 PolarHBondContact O-N 3.06Å
81	R	55.4	Low	71.1	Confident	210 Å²	210	97.8 Å²	97.8	79%	0.792	44%	0.442	S	S	*	.	S	Bend	trans	-138.4	150.1	-172.9	-75.5	-174.3	175.8	-177.8	-1.4	113.8	S79 S83	S79-R81 PolarHBondContact O-N 3.32Å; S79-R81 PolarHBondContact OG-N 3.37Å; S79-R81 PolarHBondContact OG-O 3Å; R81-S83 PolarHBondContact O-N 2.79Å
82	R	56.2	Low	70.9	Confident	164 Å²	164	100.4 Å²	100.4	62%	0.619	46%	0.46	S	S	*	.			trans	-45	100.8	172.7	-153.5	176.4	-175.9	171.9	4.7	110.5	E30 L33	E30-R82 VanDerWaalsContact CD-NH1 3.34Å; E30-R82 IonicContact OE1-CZ 3.45Å; E30-R82 IonicContact OE1-NH1 3.77Å; E30-R82 PolarHBondContact OE1-NH1 3.29Å; E30-R82 IonicContact OE1-NH2 2.63Å; E30-R82 PolarHBondContact OE1-NH2 2.8Å; E30-R82 VanDerWaalsContact OE1-NH2 3.16Å; E30-R82 IonicContact OE2-NH1 2.6Å; E30-R82 PolarHBondContact OE2-NH1 2.81Å; L33-R82 HydrophobicContact CD1-CG 4.28Å
83	S	56.8	Low	70.7	Confident	34 Å²	34	97.7 Å²	97.7	24%	0.238	45%	0.447	C	S	.	.			trans	-101	117.6	-176.5	-175.5	0	0	0	0	109.9	R81 R85 S86	R81-S83 PolarHBondContact O-N 2.79Å; S83-R85 PolarHBondContact O-N 3.3Å; S83-R85 WeakPolarHBondContact OG-CB 3.36Å; S83-R85 PolarHBondContact OG-N 2.92Å; S83-S86 PolarHBondContact O-N 3.06Å
84	K	60.1	Low	70.6	Confident	200 Å²	200	103 Å²	103	87%	0.87	47%	0.472	S	S	*	.	H	α-helix	trans	-55.3	-10.6	167.5	-71.7	-177	177.7	178.9	0	112.6
85	R	60.9	Low	70.7	Confident	154 Å²	154	108.2 Å²	108.2	58%	0.581	50%	0.496	S	S	*	.	H	α-helix	trans	-68.9	-40.4	176.6	-162.9	-179.8	172.8	174.5	-4.2	112.7	S83 T87 R88 I89	S83-R85 PolarHBondContact O-N 3.3Å; S83-R85 WeakPolarHBondContact OG-CB 3.36Å; S83-R85 PolarHBondContact OG-N 2.92Å; R85-T87 PolarHBondContact O-N 3.47Å; R85-R88 PolarHBondContact O-N 2.88Å; R85-I89 HydrophobicContact CG-CD1 3.95Å; R85-I89 WeakPolarHBondContact O-CG1 3.35Å; R85-I89 PolarHBondContact O-N 3.34Å
86	S	66.1	Low	71	Confident	2 Å²	2	108.3 Å²	108.3	1%	0.014	50%	0.496	C	S	.	.	H	α-helix	trans	-58.2	-48.8	-177.8	178.7	0	0	0	0	111.8	T34 D35 S83 R88 I89 K90 E104	T34-S86 PolarHBondContact O-OG 3.49Å; D35-S86 WeakPolarHBondContact OD1-CB 3.26Å; S83-S86 PolarHBondContact O-N 3.06Å; S86-R88 VanDerWaalsContact C-N 3.28Å; S86-R88 PolarHBondContact O-N 3.45Å; S86-I89 PolarHBondContact O-N 3.18Å; S86-I89 VanDerWaalsContact O-N 3.15Å; S86-K90 WeakPolarHBondContact O-CB 3.36Å; S86-K90 PolarHBondContact O-N 2.73Å; S86-E104 WeakPolarHBondContact CB-OE1 3.27Å; S86-E104 PolarHBondContact OG-OE1 3.27Å
87	T	71	Confident	72	Confident	62 Å²	62	112 Å²	112	38%	0.38	50%	0.502	S	S	.	.	H	α-helix	trans	-60.6	-36.6	-179.9	-43.5	0	0	0	0	112.4	R85 Q91	R85-T87 PolarHBondContact O-N 3.47Å; T87-Q91 WeakPolarHBondContact O-CG 3.39Å; T87-Q91 PolarHBondContact O-N 3.47Å; T87-Q91 VanDerWaalsContact O-N 3.1Å
88	R	77.7	Confident	73.1	Confident	199 Å²	199	107 Å²	107	75%	0.751	48%	0.477	S	S	*	.	H	α-helix	trans	-71.1	-39.6	177.9	-170.7	178.2	-179.9	180	-0.1	112	R85 S86 S92	R85-R88 PolarHBondContact O-N 2.88Å; S86-R88 VanDerWaalsContact C-N 3.28Å; S86-R88 PolarHBondContact O-N 3.45Å; R88-S92 WeakPolarHBondContact O-CB 3.47Å; R88-S92 PolarHBondContact O-N 3.07Å
89	I	80.3	Confident	74.6	Confident	18 Å²	18	102.4 Å²	102.4	9%	0.092	45%	0.449	C	S	.	.	H	α-helix	trans	-66.2	-44.7	176.9	-67.1	172.7	0	0	0	110.1	L37 L58 R85 S86 Q91 S92 L93	L37-I89 HydrophobicContact CD1-CG2 3.78Å; L58-I89 HydrophobicContact CD1-CG2 3.9Å; L58-I89 HydrophobicContact CD2-CD1 4.05Å; L58-I89 HydrophobicContact CD2-CG2 4.41Å; L58-I89 HydrophobicContact CG-CG2 4.16Å; R85-I89 HydrophobicContact CG-CD1 3.95Å; R85-I89 WeakPolarHBondContact O-CG1 3.35Å; R85-I89 PolarHBondContact O-N 3.34Å; S86-I89 PolarHBondContact O-N 3.18Å; S86-I89 VanDerWaalsContact O-N 3.15Å; I89-Q91 PolarHBondContact O-N 2.76Å; I89-S92 WeakPolarHBondContact O-CB 3.33Å; I89-S92 PolarHBondContact O-N 3.04Å; I89-S92 VanDerWaalsContact O-N 3.12Å; I89-L93 HydrophobicContact CG2-CD1 3.85Å; I89-L93 HydrophobicContact CG2-CG 4.41Å; I89-L93 PolarHBondContact O-N 3.16Å
90	K	83.1	Confident	76.2	Confident	53 Å²	53	105 Å²	105	23%	0.23	45%	0.451	C	S	.	.	H	α-helix	trans	-55.8	-50.1	174.8	-178.1	-174.6	-168.6	173.1	0	112.4	S86 S92 L93 Q94 V102 E104	S86-K90 WeakPolarHBondContact O-CB 3.36Å; S86-K90 PolarHBondContact O-N 2.73Å; K90-S92 PolarHBondContact O-N 3.02Å; K90-L93 PolarHBondContact O-N 2.85Å; K90-Q94 WeakPolarHBondContact O-CB 3.29Å; K90-Q94 VanDerWaalsContact O-CG 3.32Å; K90-Q94 WeakPolarHBondContact O-CG 3.38Å; K90-Q94 PolarHBondContact O-N 2.82Å; K90-V102 HydrophobicContact CG-CB 4.5Å; K90-V102 HydrophobicContact CG-CG1 3.97Å; K90-E104 HydrophobicContact CD-CB 4.24Å; K90-E104 WeakPolarHBondContact CD-OE2 3.48Å; K90-E104 IonicContact NZ-OE2 2.71Å; K90-E104 PolarHBondContact NZ-OE2 3.24Å
91	Q	84.1	Confident	77.9	Confident	108 Å²	108	100.7 Å²	100.7	51%	0.505	43%	0.433	S	S	.	.	H	α-helix	trans	-62.5	-32.8	177.3	-74.5	176.9	-2.4	0	0	112.7	T87 I89 K95	T87-Q91 WeakPolarHBondContact O-CG 3.39Å; T87-Q91 PolarHBondContact O-N 3.47Å; T87-Q91 VanDerWaalsContact O-N 3.1Å; I89-Q91 PolarHBondContact O-N 2.76Å; Q91-K95 WeakPolarHBondContact O-CG 3.41Å
92	S	86.2	Confident	79.5	Confident	55 Å²	55	91.2 Å²	91.2	39%	0.385	40%	0.398	S	S	.	.	H	α-helix	trans	-69.7	-47.5	175.7	-169.8	0	0	0	0	111.3	H56 R88 I89 K90 Q94 K95 D96	H56-S92 PolarHBondContact CE1-O 2.94Å; H56-S92 PolarHBondContact CE1-OG 2.92Å; H56-S92 VanDerWaalsContact CE1-OG 3.27Å; H56-S92 PolarHBondContact ND1-OG 2.68Å; R88-S92 WeakPolarHBondContact O-CB 3.47Å; R88-S92 PolarHBondContact O-N 3.07Å; I89-S92 WeakPolarHBondContact O-CB 3.33Å; I89-S92 PolarHBondContact O-N 3.04Å; I89-S92 VanDerWaalsContact O-N 3.12Å; K90-S92 PolarHBondContact O-N 3.02Å; S92-Q94 VanDerWaalsContact C-N 3.34Å; S92-Q94 PolarHBondContact O-N 3.02Å; S92-K95 PolarHBondContact O-N 2.86Å; S92-K95 VanDerWaalsContact O-N 3.1Å; S92-D96 PolarHBondContact O-N 2.92Å
93	L	87.1	Confident	80.9	Confident	0 Å²	0	88 Å²	88	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-64.1	-36.7	178.1	-75.4	166.2	0	0	0	112.5	L37 V39 V52 H56 L58 F73 I89 K90 K95 D96 V99 V102	L37-L93 HydrophobicContact CD1-CD1 3.49Å; L37-L93 VanDerWaalsContact CD1-CD1 3.49Å; V39-L93 HydrophobicContact CG2-CD1 4.27Å; V52-L93 HydrophobicContact CG1-CD2 3.76Å; H56-L93 HydrophobicContact CB-CD2 3.79Å; H56-L93 HydrophobicContact CB-CG 4.04Å; H56-L93 VanDerWaalsContact CG-CD2 3.44Å; L58-L93 HydrophobicContact CD1-CD1 4.3Å; F73-L93 HydrophobicContact CD2-CD1 4.12Å; F73-L93 HydrophobicContact CD2-CD2 4.24Å; F73-L93 HydrophobicContact CE2-CD1 4.46Å; F73-L93 HydrophobicContact CE2-CD2 3.82Å; I89-L93 HydrophobicContact CG2-CD1 3.85Å; I89-L93 HydrophobicContact CG2-CG 4.41Å; I89-L93 PolarHBondContact O-N 3.16Å; K90-L93 PolarHBondContact O-N 2.85Å; L93-K95 PolarHBondContact O-N 2.98Å; L93-K95 VanDerWaalsContact O-N 3.16Å; L93-D96 WeakPolarHBondContact O-CB 3.4Å; L93-D96 PolarHBondContact O-N 3.43Å; L93-V99 HydrophobicContact CD2-CG2 4.27Å; L93-V99 VanDerWaalsContact O-CB 3.3Å; L93-V99 WeakPolarHBondContact O-CB 3.34Å; L93-V102 HydrophobicContact CB-CG2 3.76Å
94	Q	88	Confident	82.2	Confident	110 Å²	110	88 Å²	88	51%	0.514	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.8	174.9	-76.5	176.9	-25	0	0	113.6	K90 S92 V102	K90-Q94 WeakPolarHBondContact O-CB 3.29Å; K90-Q94 VanDerWaalsContact O-CG 3.32Å; K90-Q94 WeakPolarHBondContact O-CG 3.38Å; K90-Q94 PolarHBondContact O-N 2.82Å; S92-Q94 VanDerWaalsContact C-N 3.34Å; S92-Q94 PolarHBondContact O-N 3.02Å; Q94-V102 HydrophobicContact CG-CB 4.18Å; Q94-V102 HydrophobicContact CG-CG2 4.09Å
95	K	88.3	Confident	83.2	Confident	178 Å²	178	82.3 Å²	82.3	77%	0.774	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-8.6	176.4	-66.5	176.2	-179.2	-178.5	0	113	Q91 S92 L93	Q91-K95 WeakPolarHBondContact O-CG 3.41Å; S92-K95 PolarHBondContact O-N 2.86Å; S92-K95 VanDerWaalsContact O-N 3.1Å; L93-K95 PolarHBondContact O-N 2.98Å; L93-K95 VanDerWaalsContact O-N 3.16Å
96	D	87.8	Confident	83.8	Confident	25 Å²	25	81 Å²	81	13%	0.134	36%	0.362	C	S	.	.			trans	-76.2	128.5	177.1	-167.1	-52.7	0	0	0	110	H56 S92 L93 R98 V99	H56-D96 IonicContact NE2-OD2 3.04Å; H56-D96 PolarHBondContact NE2-OD2 3.32Å; H56-D96 VanDerWaalsContact NE2-OD2 3.13Å; S92-D96 PolarHBondContact O-N 2.92Å; L93-D96 WeakPolarHBondContact O-CB 3.4Å; L93-D96 PolarHBondContact O-N 3.43Å; D96-R98 PolarHBondContact O-N 2.63Å; D96-R98 WeakPolarHBondContact OD1-CB 3.49Å; D96-R98 IonicContact OD1-CZ 2.72Å; D96-R98 PolarHBondContact OD1-N 2.93Å; D96-R98 IonicContact OD1-NE 2.75Å; D96-R98 PolarHBondContact OD1-NE 3.4Å; D96-R98 IonicContact OD1-NH2 3.34Å; D96-R98 IonicContact OD2-CZ 3.35Å; D96-R98 IonicContact OD2-NE 3.16Å; D96-R98 IonicContact OD2-NH2 3.81Å; D96-R98 PolarHBondContact OD2-NH2 3.16Å; D96-V99 HydrophobicContact CB-CB 4.38Å; D96-V99 HydrophobicContact CB-CG2 3.93Å; D96-V99 PolarHBondContact O-N 2.86Å; D96-V99 VanDerWaalsContact O-N 3.08Å
97	R	89.1	Confident	83.7	Confident	234 Å²	234	82 Å²	82	88%	0.883	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-18.7	-175.6	-60.3	179.2	76.9	147.5	2.1	113.3
98	R	89.6	Confident	83.3	Confident	63 Å²	63	86 Å²	86	24%	0.238	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-16.4	177.5	-64.2	167.5	-71.3	179.8	2.2	112.4	L41 H42 E48 V52 D96	L41-R98 WeakPolarHBondContact CA-O 3.45Å; L41-R98 WeakPolarHBondContact CD2-O 3.29Å; H42-R98 PolarHBondContact N-O 3.21Å; E48-R98 WeakPolarHBondContact OE1-CB 3.37Å; E48-R98 WeakPolarHBondContact OE1-CD 3.41Å; E48-R98 WeakPolarHBondContact OE1-CG 3.32Å; V52-R98 HydrophobicContact CG2-CB 4.3Å; D96-R98 PolarHBondContact O-N 2.63Å; D96-R98 WeakPolarHBondContact OD1-CB 3.49Å; D96-R98 IonicContact OD1-CZ 2.72Å; D96-R98 PolarHBondContact OD1-N 2.93Å; D96-R98 IonicContact OD1-NE 2.75Å; D96-R98 PolarHBondContact OD1-NE 3.4Å; D96-R98 IonicContact OD1-NH2 3.34Å; D96-R98 IonicContact OD2-CZ 3.35Å; D96-R98 IonicContact OD2-NE 3.16Å; D96-R98 IonicContact OD2-NH2 3.81Å; D96-R98 PolarHBondContact OD2-NH2 3.16Å
99	V	89.1	Confident	82.3	Confident	13 Å²	13	81.5 Å²	81.5	8%	0.079	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	121.8	-176.6	176.5	0	0	0	0	110.6	V39 L41 V52 L93 D96 V102	V39-V99 HydrophobicContact CG1-CB 4.48Å; V39-V99 HydrophobicContact CG1-CG1 3.79Å; V39-V99 HydrophobicContact CG1-CG2 3.99Å; L41-V99 HydrophobicContact CD2-CB 4.29Å; L41-V99 HydrophobicContact CD2-CG2 3.61Å; V52-V99 HydrophobicContact CG1-CG2 3.97Å; L93-V99 HydrophobicContact CD2-CG2 4.27Å; L93-V99 VanDerWaalsContact O-CB 3.3Å; L93-V99 WeakPolarHBondContact O-CB 3.34Å; D96-V99 HydrophobicContact CB-CB 4.38Å; D96-V99 HydrophobicContact CB-CG2 3.93Å; D96-V99 PolarHBondContact O-N 2.86Å; D96-V99 VanDerWaalsContact O-N 3.08Å; V99-V102 HydrophobicContact CG1-CG2 3.39Å
100	K	89.6	Confident	80.9	Confident	118 Å²	118	90.6 Å²	90.6	51%	0.513	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	-46	176.2	-172.3	177.9	178.5	-179.2	0	112	Q40	Q40-K100 HydrophobicContact CB-CB 4.38Å; Q40-K100 HydrophobicContact CG-CB 4.34Å; Q40-K100 HydrophobicContact CG-CD 4.29Å; Q40-K100 WeakPolarHBondContact O-CA 3.34Å; Q40-K100 WeakPolarHBondContact O-CB 3.31Å; Q40-K100 PolarHBondContact O-N 2.83Å
101	K	89.8	Confident	79.4	Confident	114 Å²	114	95.4 Å²	95.4	50%	0.496	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	150.5	179.7	-68.3	-173	-178.8	178.1	0	111.4	V39 Q40 F103	V39-K101 WeakPolarHBondContact CA-O 3.42Å; Q40-K101 HydrophobicContact CB-CB 4.25Å; Q40-K101 PolarHBondContact N-O 2.87Å; Q40-K101 PolarHBondContact O-N 3.27Å; K101-F103 HydrophobicContact CB-CE2 3.78Å; K101-F103 HydrophobicContact CB-CZ 4.16Å; K101-F103 HydrophobicContact CD-CE2 4.15Å; K101-F103 HydrophobicContact CD-CZ 3.82Å
102	V	88.8	Confident	77.5	Confident	11 Å²	11	98.1 Å²	98.1	7%	0.067	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	126.5	174.8	-174.6	0	0	0	0	109.4	L37 L38 V39 K90 L93 Q94 V99	L37-V102 HydrophobicContact CB-CG1 4.4Å; L37-V102 HydrophobicContact CD1-CG1 4.38Å; L37-V102 HydrophobicContact CD2-CG1 4.44Å; L38-V102 CarbonylContact O-C 3.56Å; L38-V102 WeakPolarHBondContact O-CA 3.31Å; V39-V102 HydrophobicContact CG1-CG2 4.47Å; V39-V102 HydrophobicContact CG2-CG1 4.26Å; V39-V102 HydrophobicContact CG2-CG2 4.45Å; K90-V102 HydrophobicContact CG-CB 4.5Å; K90-V102 HydrophobicContact CG-CG1 3.97Å; L93-V102 HydrophobicContact CB-CG2 3.76Å; Q94-V102 HydrophobicContact CG-CB 4.18Å; Q94-V102 HydrophobicContact CG-CG2 4.09Å; V99-V102 HydrophobicContact CG1-CG2 3.39Å
103	F	86.2	Confident	75.5	Confident	96 Å²	96	104.3 Å²	104.3	42%	0.421	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	126.3	174.7	-54.3	-87.3	0	0	0	109.7	L38 K101	L38-F103 HydrophobicContact CB-CB 4.19Å; L38-F103 HydrophobicContact CD2-CB 4.47Å; L38-F103 HydrophobicContact CD2-CD2 4.07Å; L38-F103 HydrophobicContact CG-CD2 4.28Å; L38-F103 PolarHBondContact N-O 2.95Å; L38-F103 PolarHBondContact O-N 2.94Å; K101-F103 HydrophobicContact CB-CE2 3.78Å; K101-F103 HydrophobicContact CB-CZ 4.16Å; K101-F103 HydrophobicContact CD-CE2 4.15Å; K101-F103 HydrophobicContact CD-CZ 3.82Å
104	E	83.1	Confident	73.6	Confident	36 Å²	36	107.4 Å²	107.4	17%	0.168	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	134.3	175.1	-171.7	166	-163.3	0	0	109	L33 L37 S86 K90	L33-E104 HydrophobicContact CD2-CG 4.36Å; L37-E104 HydrophobicContact CD2-CB 4.13Å; L37-E104 HydrophobicContact CD2-CG 4.18Å; S86-E104 WeakPolarHBondContact CB-OE1 3.27Å; S86-E104 PolarHBondContact OG-OE1 3.27Å; K90-E104 HydrophobicContact CD-CB 4.24Å; K90-E104 WeakPolarHBondContact CD-OE2 3.48Å; K90-E104 IonicContact NZ-OE2 2.71Å; K90-E104 PolarHBondContact NZ-OE2 3.24Å
105	Q	81.3	Confident	71.6	Confident	79 Å²	79	109.4 Å²	109.4	37%	0.369	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	125.4	-179.3	-59.7	-58.9	-66.9	0	0	109.8	T34 H36	T34-Q105 WeakPolarHBondContact CB-O 3.39Å; T34-Q105 PolarHBondContact N-O 2.81Å; T34-Q105 PolarHBondContact OG1-O 2.85Å; H36-Q105 HydrophobicContact CB-CB 4.27Å; H36-Q105 WeakPolarHBondContact O-CB 3.36Å; H36-Q105 PolarHBondContact O-N 2.78Å; H36-Q105 VanDerWaalsContact O-N 3.08Å
106	E	74.2	Confident	70.1	Confident	126 Å²	126	104.5 Å²	104.5	59%	0.589	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	134	172.5	-64.5	-177.5	-178.2	0	0	109.7	L33	L33-E106 HydrophobicContact CD2-CG 4.38Å
107	G	63.9	Low	68.6	Low	24 Å²	24	106.2 Å²	106.2	25%	0.247	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	133.1	171.8	0	0	0	0	0	108.9	V32	V32-G107 PolarHBondContact N-O 2.81Å; V32-G107 WeakPolarHBondContact O-CA 3.33Å; V32-G107 PolarHBondContact O-N 2.9Å
108	F	61.9	Low	67.2	Low	147 Å²	147	97 Å²	97	65%	0.645	46%	0.455	S	S	*	.			trans	-108.7	130.5	176.1	49.3	-83.5	0	0	0	109.2	R110	F108-R110 HydrophobicContact CD2-CG 3.93Å; F108-R110 HydrophobicContact CE2-CG 4.04Å
109	S	57.8	Low	65.6	Low	103 Å²	103	100.9 Å²	100.9	72%	0.72	48%	0.481	S	S	*	.			trans	-75.5	126.8	168.2	-174.4	0	0	0	0	108.5
110	R	51.2	Low	64.1	Low	210 Å²	210	106 Å²	106	79%	0.792	51%	0.508	S	S	*	.			trans	-91	105	174	-64.9	-175.7	-176.6	-130.2	-2.1	108.4	F108	F108-R110 HydrophobicContact CD2-CG 3.93Å; F108-R110 HydrophobicContact CE2-CG 4.04Å
111	Q	50	Low	62.8	Low	153 Å²	153	101.6 Å²	101.6	72%	0.715	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-100.2	149	163.5	-68.9	-174.9	-9.7	0	0	109.4	R113	Q111-R113 PolarHBondContact O-N 3.21Å
112	K	45.4	Very low	61.5	Low	165 Å²	165	105.5 Å²	105.5	72%	0.717	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-65.1	124	172.4	-174.4	179.8	-179.5	-172.7	0	107.6	G114 Y115	K112-G114 PolarHBondContact O-N 3.35Å; K112-Y115 WeakPolarHBondContact O-CB 3.48Å; K112-Y115 PolarHBondContact O-N 3.32Å
113	R	43.4	Very low	60.9	Low	185 Å²	185	106.6 Å²	106.6	70%	0.698	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	135	179.9	-69.9	179.5	-177.5	139	-1.6	109.9	Q111 Y115 Q613	Q111-R113 PolarHBondContact O-N 3.21Å; R113-Y115 PolarHBondContact O-N 3.3Å; R113-Q613 VanDerWaalsContact CZ-OE1 3.27Å
114	G	48.2	Very low	60.5	Low	65 Å²	65	109.2 Å²	109.2	67%	0.67	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	3.3	-175	0	0	0	0	0	115.1	K112 R116	K112-G114 PolarHBondContact O-N 3.35Å; G114-R116 PolarHBondContact O-N 3.35Å
115	Y	45.6	Very low	60.8	Low	153 Å²	153	108.5 Å²	108.5	60%	0.6	53%	0.531	S	S	*	.			trans	-77.5	101.5	171.7	-173.3	-103.1	0	0	0	109.6	K112 R113	K112-Y115 WeakPolarHBondContact O-CB 3.48Å; K112-Y115 PolarHBondContact O-N 3.32Å; R113-Y115 PolarHBondContact O-N 3.3Å
116	R	57	Low	61.2	Low	75 Å²	75	107.4 Å²	107.4	28%	0.283	53%	0.533	S	S	.	.			trans	-81.4	121.5	167.1	-169.5	171.8	-177.8	-176.7	-6.3	107.6	G114 I118 I121 N151 A153	G114-R116 PolarHBondContact O-N 3.35Å; R116-I118 PolarHBondContact O-N 3.41Å; R116-I118 VanDerWaalsContact O-N 3.07Å; R116-I121 HydrophobicContact CG-CD1 4.21Å; R116-I121 HydrophobicContact CG-CG1 4.36Å; R116-I121 VanDerWaalsContact CZ-CD1 3.46Å; R116-I121 VanDerWaalsContact NE-CD1 3.29Å; R116-I121 VanDerWaalsContact NE-CG1 3.34Å; R116-N151 PolarHBondContact NH1-OD1 3.15Å; R116-A153 VanDerWaalsContact NH2-CB 3.27Å
117	N	56	Low	62.2	Low	60 Å²	60	101.6 Å²	101.6	32%	0.321	51%	0.506	S	S	.	.			trans	-70.8	106.6	169.7	-179.5	14	0	0	0	107.1	N119 D120	N117-N119 PolarHBondContact O-N 2.88Å; N117-N119 VanDerWaalsContact O-N 3.1Å; N117-N119 PolarHBondContact OD1-N 2.83Å; N117-N119 PolarHBondContact OD1-ND2 2.88Å; N117-D120 VanDerWaalsContact CB-OD2 3.3Å; N117-D120 WeakPolarHBondContact CB-OD2 3.49Å; N117-D120 PolarHBondContact ND2-OD1 2.86Å; N117-D120 PolarHBondContact ND2-OD2 3Å; N117-D120 WeakPolarHBondContact O-CB 3.43Å; N117-D120 PolarHBondContact O-N 2.89Å
118	I	59.7	Low	63.6	Low	42 Å²	42	104.2 Å²	104.2	22%	0.215	52%	0.518	C	S	.	.	G	3₁₀ helix	trans	-58.7	-26.2	-175	-69.9	160.1	0	0	0	111.6	R116 D120 I121 T139 P146	R116-I118 PolarHBondContact O-N 3.41Å; R116-I118 VanDerWaalsContact O-N 3.07Å; I118-D120 PolarHBondContact O-N 3.01Å; I118-I121 PolarHBondContact O-N 3.41Å; I118-T139 HydrophobicContact CG2-CG2 3.63Å; I118-P146 HydrophobicContact CD1-CB 3.32Å
119	N	55.8	Low	65.1	Low	143 Å²	143	98.6 Å²	98.6	77%	0.765	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-69.3	-14.5	176.4	-58.3	-47.9	0	0	0	113.9	N117	N117-N119 PolarHBondContact O-N 2.88Å; N117-N119 VanDerWaalsContact O-N 3.1Å; N117-N119 PolarHBondContact OD1-N 2.83Å; N117-N119 PolarHBondContact OD1-ND2 2.88Å
120	D	57.5	Low	66.8	Low	121 Å²	121	94.7 Å²	94.7	65%	0.647	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-96.8	5.3	179.6	-57.1	-24.8	0	0	0	111.9	N117 I118 E122	N117-D120 VanDerWaalsContact CB-OD2 3.3Å; N117-D120 WeakPolarHBondContact CB-OD2 3.49Å; N117-D120 PolarHBondContact ND2-OD1 2.86Å; N117-D120 PolarHBondContact ND2-OD2 3Å; N117-D120 WeakPolarHBondContact O-CB 3.43Å; N117-D120 PolarHBondContact O-N 2.89Å; I118-D120 PolarHBondContact O-N 3.01Å; D120-E122 PolarHBondContact O-N 2.82Å
121	I	62.8	Low	68.7	Low	26 Å²	26	89.3 Å²	89.3	13%	0.133	46%	0.455	C	S	.	.			trans	-86.1	94	176.6	-52.1	-177.8	0	0	0	109.4	R116 I118 V123 I137 A153	R116-I121 HydrophobicContact CG-CD1 4.21Å; R116-I121 HydrophobicContact CG-CG1 4.36Å; R116-I121 VanDerWaalsContact CZ-CD1 3.46Å; R116-I121 VanDerWaalsContact NE-CD1 3.29Å; R116-I121 VanDerWaalsContact NE-CG1 3.34Å; I118-I121 PolarHBondContact O-N 3.41Å; I121-V123 HydrophobicContact CG2-CB 4.13Å; I121-V123 HydrophobicContact CG2-CG2 3.99Å; I121-V123 PolarHBondContact O-N 3.24Å; I121-V123 VanDerWaalsContact O-N 3.07Å; I121-I137 HydrophobicContact CD1-CG2 4.17Å; I121-I137 HydrophobicContact CG2-CD1 4.13Å; I121-A153 HydrophobicContact CG2-CB 3.85Å
122	E	62.7	Low	70.6	Confident	196 Å²	196	84.7 Å²	84.7	92%	0.916	43%	0.433	S	S	*	.			trans	-83	53.9	173.3	-66.3	-172.9	170.9	0	0	112	D120	D120-E122 PolarHBondContact O-N 2.82Å
123	V	74.4	Confident	72.9	Confident	34 Å²	34	77 Å²	77	21%	0.206	40%	0.399	C	S	.	.			trans	-109.1	105.1	169.6	-178.4	0	0	0	0	108	I121 M125 F130 I137 A153 W156	I121-V123 HydrophobicContact CG2-CB 4.13Å; I121-V123 HydrophobicContact CG2-CG2 3.99Å; I121-V123 PolarHBondContact O-N 3.24Å; I121-V123 VanDerWaalsContact O-N 3.07Å; V123-M125 HydrophobicContact CG1-CE 3.96Å; V123-M125 HydrophobicContact CG1-CG 4.34Å; V123-F130 HydrophobicContact CG1-CE1 4.31Å; V123-F130 HydrophobicContact CG1-CZ 3.8Å; V123-I137 HydrophobicContact CB-CD1 3.98Å; V123-I137 HydrophobicContact CG1-CD1 4.19Å; V123-A153 HydrophobicContact CB-CB 4.47Å; V123-A153 HydrophobicContact CG2-CB 3.72Å; V123-W156 HydrophobicContact CG1-CE3 3.77Å; V123-W156 HydrophobicContact CG1-CZ3 3.86Å
124	N	78.5	Confident	75.2	Confident	150 Å²	150	68.1 Å²	68.1	80%	0.802	37%	0.366	S	S	*	.			trans	-121.6	110.6	176.2	-172.2	31.9	0	0	0	108.7
125	M	88.5	Confident	77.3	Confident	21 Å²	21	65 Å²	65	10%	0.103	33%	0.334	C	S	.	.			trans	-101.1	145.1	174.5	-55.7	-61.6	-165.7	0	0	109.1	V123 D127 F130 W156 A225 N226 V232 Y236	V123-M125 HydrophobicContact CG1-CE 3.96Å; V123-M125 HydrophobicContact CG1-CG 4.34Å; M125-D127 PolarHBondContact O-N 3.37Å; M125-F130 HydrophobicContact CB-CB 4.27Å; M125-F130 HydrophobicContact CB-CD1 3.75Å; M125-F130 HydrophobicContact CB-CD2 4.15Å; M125-F130 HydrophobicContact CB-CE1 4.08Å; M125-F130 HydrophobicContact CB-CE2 4.46Å; M125-F130 HydrophobicContact CB-CG 3.78Å; M125-F130 HydrophobicContact CB-CZ 4.42Å; M125-F130 HydrophobicContact CG-CD1 4.04Å; M125-F130 HydrophobicContact CG-CD2 4.03Å; M125-F130 HydrophobicContact CG-CE1 3.88Å; M125-F130 HydrophobicContact CG-CE2 3.88Å; M125-F130 HydrophobicContact CG-CG 4.11Å; M125-F130 HydrophobicContact CG-CZ 3.79Å; M125-W156 HydrophobicContact CE-CE3 3.95Å; M125-W156 HydrophobicContact CE-CZ3 3.93Å; M125-A225 HydrophobicContact SD-CB 4.45Å; M125-N226 WeakPolarHBondContact CA-OD1 3.38Å; M125-N226 PolarHBondContact SD-ND2 3.34Å; M125-V232 HydrophobicContact CB-CG2 4.02Å; M125-V232 HydrophobicContact CG-CG2 4.07Å; M125-Y236 HydrophobicContact CE-CE1 4Å
126	S	91.4	Very high	79.5	Confident	57 Å²	57	57.8 Å²	57.8	40%	0.399	31%	0.306	S	S	.	.			trans	-76.4	-5.6	-177.9	66.6	0	0	0	0	113.8	N226 N228	S126-N226 PolarHBondContact N-OD1 2.62Å; S126-N226 VanDerWaalsContact N-OD1 3.09Å; S126-N226 WeakPolarHBondContact OG-CA 3.4Å; S126-N228 VanDerWaalsContact CB-OD1 3.23Å; S126-N228 WeakPolarHBondContact CB-OD1 3.09Å; S126-N228 PolarHBondContact O-OD1 3.04Å; S126-N228 PolarHBondContact OG-OD1 3.25Å; S126-N228 VanDerWaalsContact OG-OD1 3.05Å
127	D	95.4	Very high	81.1	Confident	4 Å²	4	55 Å²	55	2%	0.021	30%	0.296	C	S	.	.			trans	-76.1	131.1	-170.2	-48.4	-67.7	0	0	0	112.3	M125 L129 F130 N226 N227 N228 V232	M125-D127 PolarHBondContact O-N 3.37Å; D127-L129 VanDerWaalsContact C-N 3.35Å; D127-L129 PolarHBondContact O-N 2.96Å; D127-F130 HydrophobicContact CB-CB 4.46Å; D127-F130 WeakPolarHBondContact O-CB 3.33Å; D127-F130 PolarHBondContact O-N 2.88Å; D127-F130 VanDerWaalsContact O-N 3.11Å; D127-N226 PolarHBondContact OD1-N 3.28Å; D127-N226 WeakPolarHBondContact OD2-CA 3.3Å; D127-N226 PolarHBondContact OD2-N 2.77Å; D127-N227 PolarHBondContact OD1-N 3.22Å; D127-N227 PolarHBondContact OD1-OD1 2.72Å; D127-N228 PolarHBondContact OD1-N 3.07Å; D127-V232 HydrophobicContact CB-CG2 4.03Å; D127-V232 VanDerWaalsContact OD2-CG2 3.3Å; D127-V232 WeakPolarHBondContact OD2-CG2 3.23Å
128	P	93.1	Very high	82.7	Confident	79 Å²	79	52.1 Å²	52.1	51%	0.513	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-37.7	-168.9	-27.4	33.9	0	0	0	115.8	C230	P128-C230 WeakPolarHBondContact CD-O 3.4Å
129	L	93.5	Very high	84	Confident	29 Å²	29	54 Å²	54	15%	0.152	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-5.9	-177.9	-57.1	-171.2	0	0	0	113.3	D127 T131 K132 Q133 C230 A373 C381 L383	D127-L129 VanDerWaalsContact C-N 3.35Å; D127-L129 PolarHBondContact O-N 2.96Å; L129-T131 PolarHBondContact O-N 2.86Å; L129-K132 CarbonylContact O-C 3.55Å; L129-K132 WeakPolarHBondContact O-CA 3.36Å; L129-K132 WeakPolarHBondContact O-CB 3.39Å; L129-K132 PolarHBondContact O-N 2.93Å; L129-Q133 PolarHBondContact O-N 2.81Å; L129-Q133 VanDerWaalsContact O-N 3.13Å; L129-C230 WeakPolarHBondContact CA-O 3.48Å; L129-C230 WeakPolarHBondContact CB-O 3.4Å; L129-C230 HydrophobicContact CD1-CB 4.34Å; L129-C230 WeakPolarHBondContact CG-O 3.34Å; L129-C230 PolarHBondContact N-O 3.22Å; L129-A373 HydrophobicContact CB-CB 4.39Å; L129-A373 HydrophobicContact CD1-CB 4.48Å; L129-C381 HydrophobicContact CD1-CB 3.45Å; L129-C381 VanDerWaalsContact CD1-CB 3.45Å; L129-C381 HydrophobicContact CG-CB 4.5Å; L129-L383 HydrophobicContact CD1-CD2 4.19Å; L129-L383 HydrophobicContact CD2-CD2 4.1Å
130	F	92.8	Very high	85.4	Confident	20 Å²	20	48.6 Å²	48.6	9%	0.088	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-56.3	-38.8	179.6	-177.6	-114.1	0	0	0	112.1	V123 M125 D127 K132 Q133 L136 I137 W156 V232	V123-F130 HydrophobicContact CG1-CE1 4.31Å; V123-F130 HydrophobicContact CG1-CZ 3.8Å; M125-F130 HydrophobicContact CB-CB 4.27Å; M125-F130 HydrophobicContact CB-CD1 3.75Å; M125-F130 HydrophobicContact CB-CD2 4.15Å; M125-F130 HydrophobicContact CB-CE1 4.08Å; M125-F130 HydrophobicContact CB-CE2 4.46Å; M125-F130 HydrophobicContact CB-CG 3.78Å; M125-F130 HydrophobicContact CB-CZ 4.42Å; M125-F130 HydrophobicContact CG-CD1 4.04Å; M125-F130 HydrophobicContact CG-CD2 4.03Å; M125-F130 HydrophobicContact CG-CE1 3.88Å; M125-F130 HydrophobicContact CG-CE2 3.88Å; M125-F130 HydrophobicContact CG-CG 4.11Å; M125-F130 HydrophobicContact CG-CZ 3.79Å; D127-F130 HydrophobicContact CB-CB 4.46Å; D127-F130 WeakPolarHBondContact O-CB 3.33Å; D127-F130 PolarHBondContact O-N 2.88Å; D127-F130 VanDerWaalsContact O-N 3.11Å; F130-K132 PolarHBondContact O-N 3.35Å; F130-K132 VanDerWaalsContact O-N 3.16Å; F130-Q133 PolarHBondContact O-N 2.87Å; F130-Q133 VanDerWaalsContact O-N 3.14Å; F130-L136 HydrophobicContact CD2-CD1 4.45Å; F130-L136 HydrophobicContact CE2-CD1 4.28Å; F130-I137 HydrophobicContact CE1-CD1 4.26Å; F130-I137 HydrophobicContact CZ-CD1 3.62Å; F130-I137 HydrophobicContact CZ-CG1 4.46Å; F130-W156 HydrophobicContact CE2-CH2 4.03Å; F130-W156 AromaticContact CE2-CZ3 3.86Å; F130-W156 HydrophobicContact CE2-CZ3 3.86Å; F130-W156 HydrophobicContact CZ-CZ3 4.07Å; F130-V232 HydrophobicContact CD2-CB 4.17Å; F130-V232 HydrophobicContact CD2-CG2 3.93Å
131	T	90.3	Very high	86.7	Confident	97 Å²	97	44.5 Å²	44.5	60%	0.595	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-65.4	-16.5	175.3	63	0	0	0	0	114.3	L129	L129-T131 PolarHBondContact O-N 2.86Å
132	K	91.1	Very high	87.6	Confident	57 Å²	57	43.8 Å²	43.8	25%	0.248	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-99	-13.5	177.3	-54.6	-58.4	-174.4	179.1	0	112.8	L129 F130 W134 E369 A373 L383	L129-K132 CarbonylContact O-C 3.55Å; L129-K132 WeakPolarHBondContact O-CA 3.36Å; L129-K132 WeakPolarHBondContact O-CB 3.39Å; L129-K132 PolarHBondContact O-N 2.93Å; F130-K132 PolarHBondContact O-N 3.35Å; F130-K132 VanDerWaalsContact O-N 3.16Å; K132-W134 PolarHBondContact O-N 3.13Å; K132-E369 WeakPolarHBondContact CE-OE1 3.26Å; K132-E369 IonicContact NZ-OE1 2.76Å; K132-E369 PolarHBondContact NZ-OE1 2.87Å; K132-E369 IonicContact NZ-OE2 2.82Å; K132-E369 PolarHBondContact NZ-OE2 3.5Å; K132-A373 HydrophobicContact CB-CB 4.45Å; K132-L383 HydrophobicContact CB-CD2 3.93Å; K132-L383 HydrophobicContact CG-CD2 4.4Å
133	Q	92.8	Very high	88.6	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.009	23%	0.228	C	C	.	.			trans	-77.7	69	176.6	-70.6	178.3	-64.7	0	0	111.6	L129 F130 Y135 L136 I137 V232 A373	L129-Q133 PolarHBondContact O-N 2.81Å; L129-Q133 VanDerWaalsContact O-N 3.13Å; F130-Q133 PolarHBondContact O-N 2.87Å; F130-Q133 VanDerWaalsContact O-N 3.14Å; Q133-Y135 HydrophobicContact CB-CE1 3.98Å; Q133-Y135 HydrophobicContact CG-CE1 3.97Å; Q133-Y135 PolarHBondContact NE2-OH 3.33Å; Q133-Y135 PolarHBondContact O-N 2.65Å; Q133-L136 HydrophobicContact CB-CB 4.39Å; Q133-L136 HydrophobicContact CB-CD1 3.7Å; Q133-L136 HydrophobicContact CB-CG 3.99Å; Q133-L136 HydrophobicContact CG-CD1 4.2Å; Q133-L136 PolarHBondContact O-N 2.88Å; Q133-L136 VanDerWaalsContact O-N 3.07Å; Q133-I137 PolarHBondContact O-N 2.94Å; Q133-V232 PolarHBondContact NE2-O 3.39Å; Q133-A373 HydrophobicContact CG-CB 3.71Å; Q133-A373 PolarHBondContact NE2-O 3.26Å
134	W	91.5	Very high	89.1	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-27.5	-176.8	63.4	-93.1	0	0	0	113.7	K132 L136 I137 N138 Q141 N341 F360 S361 A370 G371	K132-W134 PolarHBondContact O-N 3.13Å; W134-L136 VanDerWaalsContact C-N 3.26Å; W134-L136 PolarHBondContact O-N 3.18Å; W134-I137 CarbonylContact O-C 3.48Å; W134-I137 VanDerWaalsContact O-C 3.27Å; W134-N138 WeakPolarHBondContact O-CA 3.32Å; W134-N138 WeakPolarHBondContact O-CB 3.49Å; W134-N138 PolarHBondContact O-N 2.92Å; W134-Q141 VanDerWaalsContact CA-NE2 3.35Å; W134-Q141 HydrophobicContact CB-CG 3.73Å; W134-N341 HydrophobicContact CD2-CB 3.88Å; W134-N341 HydrophobicContact CE3-CB 3.71Å; W134-N341 VanDerWaalsContact CH2-CA 3.43Å; W134-N341 HydrophobicContact CH2-CB 3.53Å; W134-N341 HydrophobicContact CZ2-CB 3.7Å; W134-N341 HydrophobicContact CZ3-CB 3.56Å; W134-F360 HydrophobicContact CH2-CB 3.55Å; W134-F360 AromaticContact CH2-CD1 3.68Å; W134-F360 HydrophobicContact CH2-CD1 3.68Å; W134-F360 AromaticContact CH2-CG 3.85Å; W134-F360 HydrophobicContact CH2-CG 3.85Å; W134-F360 HydrophobicContact CZ2-CB 4.35Å; W134-F360 HydrophobicContact CZ3-CB 3.81Å; W134-F360 AromaticContact CZ3-CD1 3.39Å; W134-F360 HydrophobicContact CZ3-CD1 3.39Å; W134-F360 HydrophobicContact CZ3-CD2 4.48Å; W134-F360 HydrophobicContact CZ3-CE1 4.08Å; W134-F360 AromaticContact CZ3-CG 3.62Å; W134-F360 HydrophobicContact CZ3-CG 3.62Å; W134-S361 VanDerWaalsContact CZ2-O 3.3Å; W134-S361 WeakPolarHBondContact CZ2-O 3.45Å; W134-A370 PolarHBondContact NE1-O 2.9Å; W134-G371 PolarHBondContact NE1-O 3.15Å
135	Y	91.9	Very high	89.5	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-24.5	175.9	57.1	-91.6	0	0	0	112.8	Q133 D149 L150 V372 A373 E394	Q133-Y135 HydrophobicContact CB-CE1 3.98Å; Q133-Y135 HydrophobicContact CG-CE1 3.97Å; Q133-Y135 PolarHBondContact NE2-OH 3.33Å; Q133-Y135 PolarHBondContact O-N 2.65Å; Y135-D149 WeakPolarHBondContact O-CB 3.28Å; Y135-L150 HydrophobicContact CD2-CD1 4.48Å; Y135-L150 WeakPolarHBondContact O-CG 3.08Å; Y135-L150 PolarHBondContact O-N 2.98Å; Y135-V372 HydrophobicContact CD1-CG1 4.28Å; Y135-V372 HydrophobicContact CE1-CB 4.3Å; Y135-V372 HydrophobicContact CE1-CG1 3.56Å; Y135-A373 PolarHBondContact OH-O 3.09Å; Y135-E394 HydrophobicContact CD2-CG 4.16Å; Y135-E394 WeakPolarHBondContact CD2-OE1 3.23Å; Y135-E394 HydrophobicContact CE2-CG 4.38Å; Y135-E394 VanDerWaalsContact CG-OE1 3.27Å
136	L	92.9	Very high	89.4	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-48.6	173.6	-57.2	178.6	0	0	0	111.4	F130 Q133 W134 V152 W156 V232 V234	F130-L136 HydrophobicContact CD2-CD1 4.45Å; F130-L136 HydrophobicContact CE2-CD1 4.28Å; Q133-L136 HydrophobicContact CB-CB 4.39Å; Q133-L136 HydrophobicContact CB-CD1 3.7Å; Q133-L136 HydrophobicContact CB-CG 3.99Å; Q133-L136 HydrophobicContact CG-CD1 4.2Å; Q133-L136 PolarHBondContact O-N 2.88Å; Q133-L136 VanDerWaalsContact O-N 3.07Å; W134-L136 VanDerWaalsContact C-N 3.26Å; W134-L136 PolarHBondContact O-N 3.18Å; L136-V152 HydrophobicContact CB-CG2 3.77Å; L136-V152 HydrophobicContact CD2-CG1 4.39Å; L136-V152 HydrophobicContact CD2-CG2 3.91Å; L136-V152 HydrophobicContact CG-CG2 4.41Å; L136-V152 WeakPolarHBondContact O-CG2 3.32Å; L136-W156 HydrophobicContact CD1-CH2 4.09Å; L136-V232 WeakPolarHBondContact CD1-O 3.44Å; L136-V234 HydrophobicContact CD2-CB 4.46Å; L136-V234 HydrophobicContact CD2-CG2 3.59Å
137	I	90.9	Very high	89.1	Confident	17 Å²	17	33.3 Å²	33.3	9%	0.087	21%	0.208	C	C	.	.			trans	-142.7	107.5	179.2	-54.9	179.7	0	0	0	108.9	I121 V123 F130 Q133 W134 T139 Q141 A153	I121-I137 HydrophobicContact CD1-CG2 4.17Å; I121-I137 HydrophobicContact CG2-CD1 4.13Å; V123-I137 HydrophobicContact CB-CD1 3.98Å; V123-I137 HydrophobicContact CG1-CD1 4.19Å; F130-I137 HydrophobicContact CE1-CD1 4.26Å; F130-I137 HydrophobicContact CZ-CD1 3.62Å; F130-I137 HydrophobicContact CZ-CG1 4.46Å; Q133-I137 PolarHBondContact O-N 2.94Å; W134-I137 CarbonylContact O-C 3.48Å; W134-I137 VanDerWaalsContact O-C 3.27Å; I137-T139 HydrophobicContact CG2-CG2 4.03Å; I137-T139 PolarHBondContact O-N 3.34Å; I137-Q141 PolarHBondContact O-NE2 3.12Å; I137-A153 HydrophobicContact CD1-CB 3.99Å; I137-A153 HydrophobicContact CG1-CB 4.18Å
138	N	88.9	Confident	88.8	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	21%	0.209	C	C	.	.			trans	-95.6	101.6	-179.4	-163.8	-25.9	0	0	0	110.2	W134 G140 Q141 T145 P146 G147 L148 D149	W134-N138 WeakPolarHBondContact O-CA 3.32Å; W134-N138 WeakPolarHBondContact O-CB 3.49Å; W134-N138 PolarHBondContact O-N 2.92Å; N138-G140 VanDerWaalsContact C-N 3.31Å; N138-G140 WeakPolarHBondContact OD1-CA 3.42Å; N138-G140 PolarHBondContact OD1-N 2.64Å; N138-Q141 PolarHBondContact OD1-OE1 3.4Å; N138-T145 PolarHBondContact ND2-O 3.23Å; N138-T145 VanDerWaalsContact ND2-O 3.07Å; N138-T145 PolarHBondContact OD1-O 3.43Å; N138-P146 CarbonylContact O-C 3.54Å; N138-P146 WeakPolarHBondContact O-CA 3.45Å; N138-G147 PolarHBondContact O-N 2.6Å; N138-L148 VanDerWaalsContact CB-O 3.24Å; N138-L148 WeakPolarHBondContact CB-O 3.29Å; N138-L148 PolarHBondContact ND2-O 3.35Å; N138-D149 HydrophobicContact CB-CB 3.94Å; N138-D149 PolarHBondContact N-OD2 3.05Å
139	T	87.7	Confident	88.8	Confident	80 Å²	80	30.6 Å²	30.6	49%	0.491	19%	0.189	S	C	.	.	S	Bend	trans	-90.9	6.5	174.3	69.6	0	0	0	0	112.7	I118 I137 Q141	I118-T139 HydrophobicContact CG2-CG2 3.63Å; I137-T139 HydrophobicContact CG2-CG2 4.03Å; I137-T139 PolarHBondContact O-N 3.34Å; T139-Q141 PolarHBondContact OG1-OE1 2.9Å
140	G	84.9	Confident	88.8	Confident	30 Å²	30	29.2 Å²	29.2	31%	0.309	18%	0.182	S	C	.	.	S	Bend	trans	91	13.3	-169.2	0	0	0	0	0	113.9	N138 G144	N138-G140 VanDerWaalsContact C-N 3.31Å; N138-G140 WeakPolarHBondContact OD1-CA 3.42Å; N138-G140 PolarHBondContact OD1-N 2.64Å; G140-G144 WeakPolarHBondContact CA-O 3.18Å
141	Q	84.4	Confident	88.8	Confident	35 Å²	35	29 Å²	29	16%	0.164	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-67	157.4	173.7	73.2	-85.7	50.1	0	0	111	W134 I137 N138 T139 D143 G144	W134-Q141 VanDerWaalsContact CA-NE2 3.35Å; W134-Q141 HydrophobicContact CB-CG 3.73Å; I137-Q141 PolarHBondContact O-NE2 3.12Å; N138-Q141 PolarHBondContact OD1-OE1 3.4Å; T139-Q141 PolarHBondContact OG1-OE1 2.9Å; Q141-D143 PolarHBondContact O-N 3.29Å; Q141-D143 VanDerWaalsContact O-N 3.15Å; Q141-G144 PolarHBondContact O-N 2.86Å
142	A	81.9	Confident	88.9	Confident	12 Å²	12	24.3 Å²	24.3	10%	0.099	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	55.8	28.6	177.4	0	0	0	0	0	115.8	G144 N341 N367 E369 A370	A142-G144 VanDerWaalsContact C-N 3.26Å; A142-N341 PolarHBondContact O-ND2 3.21Å; A142-N367 WeakPolarHBondContact CA-ND2 3.32Å; A142-E369 HydrophobicContact CB-CB 4.34Å; A142-A370 HydrophobicContact CB-CB 3.9Å
143	D	84.4	Confident	89	Confident	93 Å²	93	21.6 Å²	21.6	50%	0.497	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	67.1	18.9	-171.2	-58.4	-31.6	0	0	0	114.3	Q141 K365	Q141-D143 PolarHBondContact O-N 3.29Å; Q141-D143 VanDerWaalsContact O-N 3.15Å; D143-K365 WeakPolarHBondContact OD2-CD 3.41Å; D143-K365 IonicContact OD2-NZ 3.49Å; D143-K365 PolarHBondContact OD2-NZ 3.25Å
144	G	83.6	Confident	88.9	Confident	9 Å²	9	24.3 Å²	24.3	9%	0.093	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-74	163	178.5	0	0	0	0	0	113.7	G140 Q141 A142 P146 N341	G140-G144 WeakPolarHBondContact CA-O 3.18Å; Q141-G144 PolarHBondContact O-N 2.86Å; A142-G144 VanDerWaalsContact C-N 3.26Å; G144-P146 WeakPolarHBondContact O-CD 3.46Å; G144-N341 CarbonylContact C-O 3.48Å; G144-N341 VanDerWaalsContact CA-O 3.22Å; G144-N341 WeakPolarHBondContact CA-O 3.28Å; G144-N341 PolarHBondContact N-ND2 2.97Å
145	T	87.1	Confident	89	Confident	37 Å²	37	24.3 Å²	24.3	23%	0.227	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-87.6	118.6	174.6	-62.1	0	0	0	0	110.2	N138 G147 L148 N341 Q426	N138-T145 PolarHBondContact ND2-O 3.23Å; N138-T145 VanDerWaalsContact ND2-O 3.07Å; N138-T145 PolarHBondContact OD1-O 3.43Å; T145-G147 PolarHBondContact O-N 3.14Å; T145-L148 VanDerWaalsContact O-CB 3.25Å; T145-L148 WeakPolarHBondContact O-CB 3.26Å; T145-L148 PolarHBondContact O-N 2.96Å; T145-N341 PolarHBondContact N-O 2.87Å; T145-Q426 HydrophobicContact CG2-CB 4.43Å
146	P	87.6	Confident	89.2	Confident	65 Å²	65	25.1 Å²	25.1	42%	0.422	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	133.2	-177.5	-23.2	30.4	0	0	0	113.5	I118 N138 G144 L148 Q426	I118-P146 HydrophobicContact CD1-CB 3.32Å; N138-P146 CarbonylContact O-C 3.54Å; N138-P146 WeakPolarHBondContact O-CA 3.45Å; G144-P146 WeakPolarHBondContact O-CD 3.46Å; P146-L148 PolarHBondContact O-N 2.84Å; P146-Q426 PolarHBondContact O-NE2 2.88Å
147	G	84.8	Confident	89.1	Confident	34 Å²	34	29.2 Å²	29.2	35%	0.351	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	7.9	-177	0	0	0	0	0	115.2	N138 T145 D149	N138-G147 PolarHBondContact O-N 2.6Å; T145-G147 PolarHBondContact O-N 3.14Å; G147-D149 PolarHBondContact O-N 3.26Å
148	L	89.6	Confident	89.2	Confident	7 Å²	7	32.4 Å²	32.4	4%	0.037	21%	0.207	C	C	.	.			trans	-91	83.5	163.5	-178.1	66.6	0	0	0	108.2	N138 T145 P146 G343 F360 Q426 L427	N138-L148 VanDerWaalsContact CB-O 3.24Å; N138-L148 WeakPolarHBondContact CB-O 3.29Å; N138-L148 PolarHBondContact ND2-O 3.35Å; T145-L148 VanDerWaalsContact O-CB 3.25Å; T145-L148 WeakPolarHBondContact O-CB 3.26Å; T145-L148 PolarHBondContact O-N 2.96Å; P146-L148 PolarHBondContact O-N 2.84Å; L148-G343 VanDerWaalsContact CD2-N 3.27Å; L148-F360 HydrophobicContact CD1-CE1 3.98Å; L148-F360 HydrophobicContact CD1-CZ 3.91Å; L148-F360 HydrophobicContact CD2-CE1 4.21Å; L148-F360 HydrophobicContact CG-CE1 3.68Å; L148-F360 HydrophobicContact CG-CZ 3.84Å; L148-Q426 HydrophobicContact CD1-CB 4.42Å; L148-L427 HydrophobicContact CD1-CD2 4.16Å
149	D	91.4	Very high	89.5	Confident	18 Å²	18	34.8 Å²	34.8	10%	0.096	23%	0.232	C	C	.	.	S	Bend	trans	-146.2	174.4	179	51	54.9	0	0	0	109.5	Y135 N138 G147 N151	Y135-D149 WeakPolarHBondContact O-CB 3.28Å; N138-D149 HydrophobicContact CB-CB 3.94Å; N138-D149 PolarHBondContact N-OD2 3.05Å; G147-D149 PolarHBondContact O-N 3.26Å; D149-N151 PolarHBondContact O-N 2.86Å; D149-N151 VanDerWaalsContact O-N 3.17Å; D149-N151 WeakPolarHBondContact OD1-CA 3.43Å; D149-N151 PolarHBondContact OD1-N 2.91Å
150	L	93.4	Very high	89.9	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	22%	0.217	C	C	.	.			trans	-71.4	-1.7	179.5	-66	173.6	0	0	0	113.1	Y135 V152 V234 T359 F360 E394 V398 V451 L452 A454	Y135-L150 HydrophobicContact CD2-CD1 4.48Å; Y135-L150 WeakPolarHBondContact O-CG 3.08Å; Y135-L150 PolarHBondContact O-N 2.98Å; L150-V152 HydrophobicContact CB-CG1 3.78Å; L150-V152 HydrophobicContact CD1-CG1 4.48Å; L150-V152 PolarHBondContact O-N 3.42Å; L150-V234 HydrophobicContact CD1-CG2 4.11Å; L150-T359 HydrophobicContact CD2-CG2 3.8Å; L150-F360 HydrophobicContact CD2-CD2 3.89Å; L150-F360 HydrophobicContact CD2-CE2 3.92Å; L150-F360 HydrophobicContact CG-CD2 3.86Å; L150-F360 HydrophobicContact CG-CE2 3.99Å; L150-E394 HydrophobicContact CD1-CB 4.01Å; L150-E394 HydrophobicContact CD1-CG 4.28Å; L150-V398 HydrophobicContact CD1-CG2 4.26Å; L150-V398 HydrophobicContact CD2-CG2 4.5Å; L150-V451 HydrophobicContact CD2-CG1 4.27Å; L150-L452 HydrophobicContact CD2-CB 4.46Å; L150-A454 WeakPolarHBondContact O-CB 3.21Å; L150-A454 PolarHBondContact O-N 2.87Å
151	N	93.3	Very high	90.5	Very high	15 Å²	15	32.3 Å²	32.3	8%	0.08	21%	0.206	C	C	.	.			trans	55.6	30.9	-176.3	-167.9	39.1	0	0	0	113.7	R116 D149 A153 E154 D453 G455	R116-N151 PolarHBondContact NH1-OD1 3.15Å; D149-N151 PolarHBondContact O-N 2.86Å; D149-N151 VanDerWaalsContact O-N 3.17Å; D149-N151 WeakPolarHBondContact OD1-CA 3.43Å; D149-N151 PolarHBondContact OD1-N 2.91Å; N151-A153 VanDerWaalsContact C-N 3.26Å; N151-A153 PolarHBondContact O-N 2.94Å; N151-E154 PolarHBondContact ND2-OE2 3.14Å; N151-E154 PolarHBondContact O-N 2.74Å; N151-D453 VanDerWaalsContact CB-OD1 3.31Å; N151-D453 WeakPolarHBondContact CB-OD1 3.46Å; N151-D453 PolarHBondContact ND2-OD1 3.49Å; N151-G455 PolarHBondContact O-N 3.14Å
152	V	93.8	Very high	91.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.7	-30.5	-178.6	-66.2	0	0	0	0	113	L136 L150 E154 A155 W156 V234 L401 A454	L136-V152 HydrophobicContact CB-CG2 3.77Å; L136-V152 HydrophobicContact CD2-CG1 4.39Å; L136-V152 HydrophobicContact CD2-CG2 3.91Å; L136-V152 HydrophobicContact CG-CG2 4.41Å; L136-V152 WeakPolarHBondContact O-CG2 3.32Å; L150-V152 HydrophobicContact CB-CG1 3.78Å; L150-V152 HydrophobicContact CD1-CG1 4.48Å; L150-V152 PolarHBondContact O-N 3.42Å; V152-E154 PolarHBondContact O-N 2.93Å; V152-E154 VanDerWaalsContact O-N 3.12Å; V152-A155 WeakPolarHBondContact O-CB 3.43Å; V152-A155 PolarHBondContact O-N 2.87Å; V152-W156 HydrophobicContact CB-CD2 4.41Å; V152-W156 HydrophobicContact CB-CZ2 4.11Å; V152-W156 HydrophobicContact CG2-CD2 4.44Å; V152-W156 HydrophobicContact CG2-CE3 4.47Å; V152-W156 HydrophobicContact CG2-CH2 3.92Å; V152-W156 HydrophobicContact CG2-CZ2 3.85Å; V152-W156 HydrophobicContact CG2-CZ3 4.22Å; V152-W156 PolarHBondContact O-N 2.96Å; V152-V234 HydrophobicContact CG1-CG1 3.85Å; V152-L401 HydrophobicContact CG1-CD1 4.42Å; V152-A454 HydrophobicContact CB-CB 4.43Å; V152-A454 HydrophobicContact CG1-CB 3.81Å
153	A	92	Very high	91.9	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.7	-26	178.9	0	0	0	0	0	112.8	R116 I121 V123 I137 N151 A157	R116-A153 VanDerWaalsContact NH2-CB 3.27Å; I121-A153 HydrophobicContact CG2-CB 3.85Å; V123-A153 HydrophobicContact CB-CB 4.47Å; V123-A153 HydrophobicContact CG2-CB 3.72Å; I137-A153 HydrophobicContact CD1-CB 3.99Å; I137-A153 HydrophobicContact CG1-CB 4.18Å; N151-A153 VanDerWaalsContact C-N 3.26Å; N151-A153 PolarHBondContact O-N 2.94Å; A153-A157 VanDerWaalsContact O-CB 3.27Å; A153-A157 WeakPolarHBondContact O-CB 3.5Å; A153-A157 PolarHBondContact O-N 2.78Å; A153-A157 VanDerWaalsContact O-N 3.09Å
154	E	91.4	Very high	92.5	Very high	58 Å²	58	35.9 Å²	35.9	27%	0.271	23%	0.234	S	C	.	.	H	α-helix	trans	-75.9	-39.1	173.4	-179.6	164.4	-138.6	0	0	112.1	N151 V152 A157 L158 K459	N151-E154 PolarHBondContact ND2-OE2 3.14Å; N151-E154 PolarHBondContact O-N 2.74Å; V152-E154 PolarHBondContact O-N 2.93Å; V152-E154 VanDerWaalsContact O-N 3.12Å; E154-A157 PolarHBondContact O-N 3.34Å; E154-L158 WeakPolarHBondContact O-CG 2.99Å; E154-L158 PolarHBondContact O-N 3.17Å; E154-K459 VanDerWaalsContact CD-NZ 3.28Å; E154-K459 VanDerWaalsContact OE1-CE 3.3Å; E154-K459 WeakPolarHBondContact OE1-CE 3.41Å; E154-K459 IonicContact OE1-NZ 2.99Å; E154-K459 PolarHBondContact OE1-NZ 3.33Å; E154-K459 IonicContact OE2-NZ 2.76Å
155	A	94.2	Very high	93.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.4	-44.1	173.3	0	0	0	0	0	111.7	V152 A157 L158 G159 Y160 L401 A454 V458	V152-A155 WeakPolarHBondContact O-CB 3.43Å; V152-A155 PolarHBondContact O-N 2.87Å; A155-A157 PolarHBondContact O-N 3.1Å; A155-L158 WeakPolarHBondContact O-CB 3.22Å; A155-L158 PolarHBondContact O-N 3.1Å; A155-L158 VanDerWaalsContact O-N 3.14Å; A155-G159 PolarHBondContact O-N 3.47Å; A155-Y160 PolarHBondContact O-N 3.37Å; A155-Y160 VanDerWaalsContact O-N 3.16Å; A155-L401 HydrophobicContact CB-CD1 3.94Å; A155-A454 HydrophobicContact CB-CB 4.23Å; A155-V458 HydrophobicContact CB-CB 4.39Å; A155-V458 HydrophobicContact CB-CG2 3.96Å
156	W	94.9	Very high	93.7	Very high	18 Å²	18	34.6 Å²	34.6	7%	0.068	22%	0.224	C	C	.	.	H	α-helix	trans	-64.6	-39	176.8	-61.2	-14.4	0	0	0	112.5	V123 M125 F130 L136 V152 L158 G159 Y160 V232 V234 Y236	V123-W156 HydrophobicContact CG1-CE3 3.77Å; V123-W156 HydrophobicContact CG1-CZ3 3.86Å; M125-W156 HydrophobicContact CE-CE3 3.95Å; M125-W156 HydrophobicContact CE-CZ3 3.93Å; F130-W156 HydrophobicContact CE2-CH2 4.03Å; F130-W156 AromaticContact CE2-CZ3 3.86Å; F130-W156 HydrophobicContact CE2-CZ3 3.86Å; F130-W156 HydrophobicContact CZ-CZ3 4.07Å; L136-W156 HydrophobicContact CD1-CH2 4.09Å; V152-W156 HydrophobicContact CB-CD2 4.41Å; V152-W156 HydrophobicContact CB-CZ2 4.11Å; V152-W156 HydrophobicContact CG2-CD2 4.44Å; V152-W156 HydrophobicContact CG2-CE3 4.47Å; V152-W156 HydrophobicContact CG2-CH2 3.92Å; V152-W156 HydrophobicContact CG2-CZ2 3.85Å; V152-W156 HydrophobicContact CG2-CZ3 4.22Å; V152-W156 PolarHBondContact O-N 2.96Å; W156-L158 PolarHBondContact O-N 2.81Å; W156-G159 WeakPolarHBondContact O-CA 3.33Å; W156-G159 PolarHBondContact O-N 3.32Å; W156-Y160 WeakPolarHBondContact CA-O 3.22Å; W156-Y160 VanDerWaalsContact CD1-O 3.27Å; W156-V232 HydrophobicContact CH2-CG1 4.23Å; W156-V232 HydrophobicContact CZ2-CG1 4.47Å; W156-V234 PolarHBondContact NE1-O 3.41Å; W156-Y236 AromaticContact CD1-CE1 3.94Å; W156-Y236 AromaticContact CD2-CE1 3.84Å; W156-Y236 HydrophobicContact CD2-CE1 3.84Å; W156-Y236 AromaticContact CE2-CD1 3.91Å; W156-Y236 AromaticContact CE2-CE1 3.62Å; W156-Y236 HydrophobicContact CE3-CE1 4.46Å; W156-Y236 HydrophobicContact CG-CE1 4.02Å; W156-Y236 AromaticContact CZ2-CD1 3.94Å; W156-Y236 HydrophobicContact CZ2-CD1 3.94Å; W156-Y236 HydrophobicContact CZ2-CE1 4.05Å; W156-Y236 AromaticContact NE1-CE1 3.69Å
157	A	92.1	Very high	94.2	Very high	85 Å²	85	31.5 Å²	31.5	70%	0.702	20%	0.204	S	C	*	.	H	α-helix	trans	-64.7	-26.5	175	0	0	0	0	0	112.9	A153 E154 A155	A153-A157 VanDerWaalsContact O-CB 3.27Å; A153-A157 WeakPolarHBondContact O-CB 3.5Å; A153-A157 PolarHBondContact O-N 2.78Å; A153-A157 VanDerWaalsContact O-N 3.09Å; E154-A157 PolarHBondContact O-N 3.34Å; A155-A157 PolarHBondContact O-N 3.1Å
158	L	92.4	Very high	94.9	Very high	84 Å²	84	29.9 Å²	29.9	44%	0.44	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-5.3	172	-67.5	170	0	0	0	113.1	E154 A155 W156 Y160 V458 K459	E154-L158 WeakPolarHBondContact O-CG 2.99Å; E154-L158 PolarHBondContact O-N 3.17Å; A155-L158 WeakPolarHBondContact O-CB 3.22Å; A155-L158 PolarHBondContact O-N 3.1Å; A155-L158 VanDerWaalsContact O-N 3.14Å; W156-L158 PolarHBondContact O-N 2.81Å; L158-Y160 HydrophobicContact CB-CD2 3.64Å; L158-Y160 HydrophobicContact CB-CE2 3.75Å; L158-V458 HydrophobicContact CD1-CG1 4.23Å; L158-K459 HydrophobicContact CD1-CD 4.41Å; L158-K459 HydrophobicContact CD1-CG 3.66Å
159	G	94.3	Very high	95.3	Very high	50 Å²	50	29.7 Å²	29.7	52%	0.515	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.5	5.4	177.2	0	0	0	0	0	115.2	A155 W156	A155-G159 PolarHBondContact O-N 3.47Å; W156-G159 WeakPolarHBondContact O-CA 3.33Å; W156-G159 PolarHBondContact O-N 3.32Å
160	Y	97.4	Very high	95.6	Very high	46 Å²	46	28.9 Å²	28.9	18%	0.18	18%	0.182	C	C	.	.			trans	-91.8	126.4	179	-56.7	-76.4	0	0	0	110.1	A155 W156 L158 E404 A405 V458 N462	A155-Y160 PolarHBondContact O-N 3.37Å; A155-Y160 VanDerWaalsContact O-N 3.16Å; W156-Y160 WeakPolarHBondContact CA-O 3.22Å; W156-Y160 VanDerWaalsContact CD1-O 3.27Å; L158-Y160 HydrophobicContact CB-CD2 3.64Å; L158-Y160 HydrophobicContact CB-CE2 3.75Å; Y160-E404 WeakPolarHBondContact CA-OE2 3.36Å; Y160-E404 HydrophobicContact CD1-CB 4.27Å; Y160-E404 HydrophobicContact CD1-CG 3.97Å; Y160-A405 HydrophobicContact CD1-CB 3.84Å; Y160-A405 HydrophobicContact CE1-CB 3.55Å; Y160-A405 HydrophobicContact CE2-CB 4.35Å; Y160-A405 HydrophobicContact CG-CB 4.38Å; Y160-V458 HydrophobicContact CD2-CB 4.47Å; Y160-V458 HydrophobicContact CD2-CG1 3.09Å; Y160-V458 HydrophobicContact CE2-CG1 3.32Å; Y160-V458 HydrophobicContact CG-CG1 3.72Å; Y160-N462 PolarHBondContact OH-OD1 3Å
161	T	97.1	Very high	95.6	Very high	13 Å²	13	29 Å²	29	8%	0.08	18%	0.183	C	C	.	.	S	Bend	trans	-138.3	3.8	-170.8	59.2	0	0	0	0	113	A235 Y236 N237 L401 E404	T161-A235 CarbonylContact O-C 3.51Å; T161-A235 VanDerWaalsContact O-CA 3.29Å; T161-A235 WeakPolarHBondContact O-CA 3.47Å; T161-Y236 HydrophobicContact CG2-CE1 4.04Å; T161-Y236 HydrophobicContact CG2-CE2 3.72Å; T161-Y236 WeakPolarHBondContact CG2-OH 3.32Å; T161-Y236 PolarHBondContact O-N 3.45Å; T161-N237 PolarHBondContact O-N 3.16Å; T161-N237 WeakPolarHBondContact OG1-CB 3.44Å; T161-N237 PolarHBondContact OG1-ND2 3.33Å; T161-L401 VanDerWaalsContact C-CD2 3.49Å; T161-E404 PolarHBondContact N-OE2 3.39Å
162	G	97.4	Very high	95.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.183	C	C	.	.			trans	95.4	7.4	-178.1	0	0	0	0	0	114.2	G164 V165 S238 E404	G162-G164 PolarHBondContact O-N 3.16Å; G162-V165 PolarHBondContact O-N 3.32Å; G162-S238 WeakPolarHBondContact O-CA 3.36Å; G162-S238 WeakPolarHBondContact O-CB 3.4Å; G162-S238 PolarHBondContact O-N 2.99Å; G162-E404 WeakPolarHBondContact CA-OE2 3.4Å; G162-E404 PolarHBondContact N-OE2 2.94Å
163	K	97.8	Very high	95.5	Very high	145 Å²	145	29.2 Å²	29.2	63%	0.63	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	130	-168.7	-172.8	-178.5	176.3	-179.9	0	111.8	V165 N237 E404	K163-V165 VanDerWaalsContact C-N 3.32Å; K163-N237 HydrophobicContact CB-CB 4.28Å; K163-E404 WeakPolarHBondContact CB-OE1 3.25Å; K163-E404 VanDerWaalsContact N-CD 3.31Å; K163-E404 PolarHBondContact N-OE2 2.88Å; K163-E404 VanDerWaalsContact N-OE2 3.16Å
164	G	96.4	Very high	95.7	Very high	69 Å²	69	29.3 Å²	29.3	71%	0.711	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.6	7.6	176.2	0	0	0	0	0	114.6	G162	G162-G164 PolarHBondContact O-N 3.16Å
165	V	98.5	Very high	95.8	Very high	6 Å²	6	26.8 Å²	26.8	4%	0.036	17%	0.173	C	C	.	.			trans	-104.9	136.9	172.5	-177.9	0	0	0	0	109.1	G162 K163 I167 K239 D268 I269 A400 L403	G162-V165 PolarHBondContact O-N 3.32Å; K163-V165 VanDerWaalsContact C-N 3.32Å; V165-I167 HydrophobicContact CG1-CG1 4.31Å; V165-K239 PolarHBondContact O-N 3Å; V165-D268 WeakPolarHBondContact CA-OD2 3.38Å; V165-D268 HydrophobicContact CG1-CB 3.79Å; V165-I269 HydrophobicContact CG1-CD1 4.11Å; V165-A400 HydrophobicContact CB-CB 4.21Å; V165-A400 HydrophobicContact CG1-CB 3.85Å; V165-L403 HydrophobicContact CG1-CB 4.44Å; V165-L403 HydrophobicContact CG1-CD1 3.95Å; V165-L403 HydrophobicContact CG2-CB 3.77Å
166	T	98.6	Very high	95.8	Very high	14 Å²	14	28.9 Å²	28.9	9%	0.086	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	128.1	173.2	-55.7	0	0	0	0	110.8	N186 A189 K239 A241 D266 I267 D268 I269	T166-N186 HydrophobicContact CG2-CB 4.35Å; T166-N186 PolarHBondContact OG1-ND2 2.9Å; T166-A189 HydrophobicContact CG2-CB 4.21Å; T166-K239 CarbonylContact C-O 3.57Å; T166-K239 WeakPolarHBondContact CA-O 3.35Å; T166-K239 HydrophobicContact CG2-CB 4.32Å; T166-A241 HydrophobicContact CG2-CB 4.19Å; T166-D266 VanDerWaalsContact CB-O 3.26Å; T166-D266 WeakPolarHBondContact CB-O 3.43Å; T166-D266 PolarHBondContact OG1-O 3.27Å; T166-I267 HydrophobicContact CG2-CG1 4.24Å; T166-D268 PolarHBondContact N-OD2 3.2Å; T166-D268 PolarHBondContact O-N 3.24Å; T166-I269 PolarHBondContact O-N 3.38Å
167	I	98.7	Very high	95.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	123.1	180	-57.3	143.9	0	0	0	108.4	V165 I169 V221 S238 K239 V240 A241 I269 A396 A400	V165-I167 HydrophobicContact CG1-CG1 4.31Å; I167-I169 HydrophobicContact CG2-CD1 4.3Å; I167-V221 HydrophobicContact CB-CG1 4.16Å; I167-V221 HydrophobicContact CD1-CG1 3.16Å; I167-V221 HydrophobicContact CG1-CG1 4.17Å; I167-V221 HydrophobicContact CG2-CG1 4.09Å; I167-S238 WeakPolarHBondContact CD1-OG 3.23Å; I167-K239 PolarHBondContact N-O 3.37Å; I167-V240 CarbonylContact O-C 3.07Å; I167-V240 WeakPolarHBondContact O-CA 3.32Å; I167-A241 PolarHBondContact O-N 3.36Å; I167-I269 CarbonylContact C-O 3.53Å; I167-I269 VanDerWaalsContact CA-O 3.32Å; I167-I269 WeakPolarHBondContact CA-O 3.42Å; I167-I269 HydrophobicContact CB-CB 4.49Å; I167-I269 HydrophobicContact CG1-CB 4.07Å; I167-I269 HydrophobicContact CG1-CD1 4.09Å; I167-I269 HydrophobicContact CG2-CB 4.25Å; I167-I269 HydrophobicContact CG2-CG2 4.26Å; I167-A396 HydrophobicContact CG2-CB 4.14Å; I167-A400 HydrophobicContact CD1-CB 3.43Å; I167-A400 VanDerWaalsContact CD1-CB 3.43Å; I167-A400 HydrophobicContact CG1-CB 4.17Å
168	A	98.3	Very high	96	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	128.9	175.6	0	0	0	0	0	111	A241 I243 I267 I269 Y270 S271	A168-A241 CarbonylContact C-O 3.49Å; A168-A241 WeakPolarHBondContact CA-O 3.45Å; A168-A241 HydrophobicContact CB-CB 4.23Å; A168-I243 HydrophobicContact CB-CD1 3.74Å; A168-I243 HydrophobicContact CB-CG1 4.24Å; A168-I267 HydrophobicContact CB-CD1 3.7Å; A168-I267 HydrophobicContact CB-CG1 4.14Å; A168-I267 HydrophobicContact CB-CG2 3.62Å; A168-I269 PolarHBondContact N-O 3.13Å; A168-Y270 HydrophobicContact CB-CD1 4.05Å; A168-Y270 HydrophobicContact CB-CE1 4.41Å; A168-Y270 WeakPolarHBondContact O-CA 3.49Å; A168-S271 PolarHBondContact O-N 2.94Å
169	I	98.3	Very high	96.2	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.015	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	111.6	171.1	-49.7	-57.8	0	0	0	107.6	I167 D171 I174 C217 A218 V221 V240 A241 I243	I167-I169 HydrophobicContact CG2-CD1 4.3Å; I169-D171 HydrophobicContact CG2-CB 3.93Å; I169-D171 PolarHBondContact O-N 2.71Å; I169-I174 HydrophobicContact CB-CD1 3.95Å; I169-I174 HydrophobicContact CB-CG1 4.48Å; I169-I174 HydrophobicContact CG1-CD1 3.99Å; I169-C217 HydrophobicContact CG2-CB 3.89Å; I169-A218 HydrophobicContact CG1-CB 4.19Å; I169-V221 HydrophobicContact CD1-CG2 4.22Å; I169-V240 HydrophobicContact CG1-CG2 3.86Å; I169-A241 PolarHBondContact N-O 3.23Å; I169-I243 PolarHBondContact O-N 3.21Å
170	M	96.8	Very high	96.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	95.2	178.8	-62.7	-174.5	-58.4	0	0	109.5	I243 I260 Y270 S271 A272 W274 W311	M170-I243 HydrophobicContact CG-CB 4.1Å; M170-I243 HydrophobicContact CG-CD1 3.99Å; M170-I243 HydrophobicContact CG-CG2 4.33Å; M170-I260 HydrophobicContact CE-CG1 4.14Å; M170-I260 HydrophobicContact SD-CG1 4Å; M170-Y270 HydrophobicContact CG-CD1 4.38Å; M170-Y270 HydrophobicContact SD-CD1 3.83Å; M170-Y270 HydrophobicContact SD-CG 4.46Å; M170-S271 PolarHBondContact N-O 2.67Å; M170-A272 HydrophobicContact CB-CB 4.47Å; M170-A272 HydrophobicContact CE-CB 3.63Å; M170-W274 HydrophobicContact CE-CZ2 4.23Å; M170-W274 PolarHBondContact O-NE1 2.96Å; M170-W311 HydrophobicContact CE-CH2 3.81Å; M170-W311 HydrophobicContact CE-CZ3 3.77Å
171	D	95	Very high	96.3	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.021	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	-149.8	-166.2	-148.9	-81.7	0	0	0	113.4	I169 G173 H213 G214 I243 R244 M245 L246	I169-D171 HydrophobicContact CG2-CB 3.93Å; I169-D171 PolarHBondContact O-N 2.71Å; D171-G173 VanDerWaalsContact C-N 3.35Å; D171-H213 WeakPolarHBondContact OD1-CB 3.39Å; D171-H213 IonicContact OD1-CG 3.1Å; D171-H213 IonicContact OD1-ND1 3.62Å; D171-H213 PolarHBondContact OD1-ND1 3.27Å; D171-H213 VanDerWaalsContact OD1-ND1 3.1Å; D171-H213 IonicContact OD2-CE1 2.91Å; D171-H213 PolarHBondContact OD2-CE1 3.08Å; D171-H213 IonicContact OD2-CG 3.22Å; D171-H213 IonicContact OD2-ND1 3.1Å; D171-H213 PolarHBondContact OD2-ND1 3.39Å; D171-G214 PolarHBondContact OD1-N 3.42Å; D171-G214 VanDerWaalsContact OD1-N 3.09Å; D171-I243 PolarHBondContact N-O 2.79Å; D171-R244 WeakPolarHBondContact O-CA 3.42Å; D171-M245 PolarHBondContact O-N 3.31Å; D171-L246 HydrophobicContact CB-CD1 4.45Å; D171-L246 PolarHBondContact O-N 3.18Å
172	D	92.3	Very high	96.2	Very high	17 Å²	17	26 Å²	26	9%	0.091	16%	0.156	C	C	.	.	S	Bend	trans	-83.5	-4.8	179.8	63.9	10.5	0	0	0	114.5	S211 S212 H213 G214 R244 L246	D172-S211 VanDerWaalsContact CG-C 3.49Å; D172-S211 WeakPolarHBondContact OD2-CA 3.48Å; D172-S212 PolarHBondContact OD2-N 3Å; D172-H213 PolarHBondContact OD1-N 3.41Å; D172-H213 WeakPolarHBondContact OD2-CB 3.31Å; D172-H213 PolarHBondContact OD2-N 3.04Å; D172-G214 PolarHBondContact OD1-N 2.88Å; D172-R244 WeakPolarHBondContact O-CD 3.45Å; D172-R244 WeakPolarHBondContact O-CG 3.42Å; D172-L246 HydrophobicContact CB-CB 4.45Å
173	G	92.8	Very high	96.2	Very high	2 Å²	2	29.3 Å²	29.3	2%	0.021	18%	0.18	C	C	.	.			trans	127.9	170.1	177.9	0	0	0	0	0	112.9	D171 P200 G214 T215	D171-G173 VanDerWaalsContact C-N 3.35Å; G173-P200 CarbonylContact C-O 3.47Å; G173-P200 VanDerWaalsContact CA-O 3.25Å; G173-P200 WeakPolarHBondContact CA-O 3.48Å; G173-G214 CarbonylContact O-C 3.39Å; G173-G214 VanDerWaalsContact O-CA 3.31Å; G173-G214 WeakPolarHBondContact O-CA 3.48Å; G173-T215 PolarHBondContact O-N 2.81Å
174	I	94.3	Very high	96.2	Very high	1 Å²	1	23 Å²	23	1%	0.005	15%	0.153	C	C	.	.			trans	-128.1	126.8	175.4	-57.7	-178.4	0	0	0	109.1	I169 Y176 L181 P200 P202 A218 V240 A241	I169-I174 HydrophobicContact CB-CD1 3.95Å; I169-I174 HydrophobicContact CB-CG1 4.48Å; I169-I174 HydrophobicContact CG1-CD1 3.99Å; I174-Y176 WeakPolarHBondContact O-CD1 3.36Å; I174-Y176 PolarHBondContact O-N 3.36Å; I174-L181 HydrophobicContact CG2-CD1 3.85Å; I174-P200 PolarHBondContact N-O 3.47Å; I174-P202 WeakPolarHBondContact O-CD 3.44Å; I174-A218 HydrophobicContact CD1-CB 3.87Å; I174-A218 HydrophobicContact CG1-CB 4.22Å; I174-A218 HydrophobicContact CG2-CB 3.94Å; I174-V240 HydrophobicContact CD1-CG2 3.85Å; I174-A241 WeakPolarHBondContact CD1-O 3.02Å
175	D	94.7	Very high	96.3	Very high	5 Å²	5	21.5 Å²	21.5	3%	0.027	13%	0.126	C	C	.	.			trans	-68	77.7	166.2	-172.3	-6	0	0	0	109.1	L177 H178 F201 T215 L377 Y378	D175-L177 PolarHBondContact O-N 2.94Å; D175-L177 VanDerWaalsContact O-N 3.12Å; D175-L177 PolarHBondContact OD1-N 2.74Å; D175-H178 HydrophobicContact CB-CB 4.33Å; D175-H178 WeakPolarHBondContact O-CB 3.5Å; D175-H178 PolarHBondContact O-N 2.89Å; D175-H178 PolarHBondContact OD1-N 2.83Å; D175-F201 VanDerWaalsContact OD1-CE2 3.28Å; D175-F201 WeakPolarHBondContact OD1-CE2 3.37Å; D175-T215 HydrophobicContact CB-CG2 3.82Å; D175-T215 PolarHBondContact N-OG1 3.23Å; D175-L377 HydrophobicContact CB-CD2 3.98Å; D175-Y378 PolarHBondContact OD2-N 3.3Å
176	Y	93.1	Very high	96.2	Very high	44 Å²	44	22.8 Å²	22.8	17%	0.173	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-8.8	-178.8	58.4	-105.7	0	0	0	113	I174 A182 Y185 F199 P200 F201	I174-Y176 WeakPolarHBondContact O-CD1 3.36Å; I174-Y176 PolarHBondContact O-N 3.36Å; Y176-A182 WeakPolarHBondContact O-CA 3.3Å; Y176-Y185 VanDerWaalsContact CB-CD2 3.46Å; Y176-Y185 HydrophobicContact CD1-CE1 4.3Å; Y176-Y185 HydrophobicContact CD1-CE2 4.29Å; Y176-Y185 AromaticContact CD1-CZ 3.91Å; Y176-Y185 HydrophobicContact CD2-CD1 4.36Å; Y176-Y185 HydrophobicContact CD2-CE1 4.08Å; Y176-Y185 HydrophobicContact CG-CD1 4.15Å; Y176-Y185 HydrophobicContact CG-CD2 4.45Å; Y176-Y185 AromaticContact CG-CE1 3.79Å; Y176-Y185 HydrophobicContact CG-CE1 3.79Å; Y176-Y185 HydrophobicContact CG-CE2 4.14Å; Y176-Y185 HydrophobicContact CG-CG 4.45Å; Y176-Y185 AromaticContact CG-CZ 3.8Å; Y176-F199 HydrophobicContact CE1-CB 4.45Å; Y176-P200 HydrophobicContact CD1-CG 4.38Å; Y176-F201 AromaticContact CD1-CD2 3.97Å; Y176-F201 HydrophobicContact CD1-CD2 3.97Å; Y176-F201 HydrophobicContact CE1-CB 3.72Å; Y176-F201 AromaticContact CE1-CD2 3.58Å; Y176-F201 HydrophobicContact CE1-CD2 3.58Å; Y176-F201 HydrophobicContact CE1-CG 4.13Å; Y176-F201 HydrophobicContact CE2-CD2 4.31Å; Y176-F201 AromaticContact CZ-CD2 3.74Å
177	L	95.3	Very high	96.1	Very high	117 Å²	117	24.7 Å²	24.7	61%	0.613	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-8.3	171.5	-62.9	177.9	0	0	0	112.3	D175 F201	D175-L177 PolarHBondContact O-N 2.94Å; D175-L177 VanDerWaalsContact O-N 3.12Å; D175-L177 PolarHBondContact OD1-N 2.74Å; L177-F201 HydrophobicContact CB-CE2 4.28Å; L177-F201 HydrophobicContact CD1-CE2 3.92Å; L177-F201 HydrophobicContact CD1-CZ 4.39Å; L177-F201 HydrophobicContact CG-CE2 4.06Å
178	H	96.4	Very high	96	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	19%	0.186	C	C	.	.	S	Bend	trans	-54	127.5	174.8	-170	-76.4	0	0	0	109.4	D175 D180 L181 A182 T375 D376 G379 N380	D175-H178 HydrophobicContact CB-CB 4.33Å; D175-H178 WeakPolarHBondContact O-CB 3.5Å; D175-H178 PolarHBondContact O-N 2.89Å; D175-H178 PolarHBondContact OD1-N 2.83Å; H178-D180 WeakPolarHBondContact CE1-CB 3.42Å; H178-D180 WeakPolarHBondContact ND1-CB 3.16Å; H178-D180 PolarHBondContact ND1-N 2.77Å; H178-D180 VanDerWaalsContact ND1-N 3.12Å; H178-D180 PolarHBondContact O-N 3.12Å; H178-L181 HydrophobicContact CB-CB 4.18Å; H178-L181 HydrophobicContact CB-CD1 4.14Å; H178-L181 HydrophobicContact CB-CG 4.21Å; H178-L181 PolarHBondContact O-N 3.32Å; H178-A182 WeakPolarHBondContact O-CB 3.28Å; H178-A182 PolarHBondContact O-N 2.83Å; H178-T375 WeakPolarHBondContact CE1-CG2 3.31Å; H178-D376 PolarHBondContact CD2-O 3.45Å; H178-D376 PolarHBondContact NE2-O 3.12Å; H178-G379 WeakPolarHBondContact CD2-CA 3.37Å; H178-G379 WeakPolarHBondContact NE2-CA 3.18Å; H178-N380 PolarHBondContact NE2-O 3.48Å
179	P	96.1	Very high	95.9	Very high	65 Å²	65	31.5 Å²	31.5	42%	0.422	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-21.6	-170.9	26.6	-36.3	0	0	0	113.1	I229	P179-I229 HydrophobicContact CB-CD1 3.61Å; P179-I229 HydrophobicContact CG-CD1 3.96Å; P179-I229 HydrophobicContact CG-CG2 4.1Å
180	D	96.7	Very high	95.9	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-12.8	175.5	-151.6	20.7	0	0	0	114.4	H178 A223 A224 N227 I229 C230 T375	H178-D180 WeakPolarHBondContact CE1-CB 3.42Å; H178-D180 WeakPolarHBondContact ND1-CB 3.16Å; H178-D180 PolarHBondContact ND1-N 2.77Å; H178-D180 VanDerWaalsContact ND1-N 3.12Å; H178-D180 PolarHBondContact O-N 3.12Å; D180-A223 WeakPolarHBondContact O-CA 3.36Å; D180-A223 VanDerWaalsContact OD2-CB 3.29Å; D180-A223 WeakPolarHBondContact OD2-CB 3.26Å; D180-A224 PolarHBondContact O-N 3.35Å; D180-A224 PolarHBondContact OD1-N 2.72Å; D180-N227 PolarHBondContact OD1-ND2 2.73Å; D180-I229 HydrophobicContact CB-CG2 3.99Å; D180-C230 WeakPolarHBondContact OD2-CB 3.29Å; D180-T375 HydrophobicContact CB-CG2 3.73Å; D180-T375 WeakPolarHBondContact OD2-CG2 3.48Å
181	L	97.4	Very high	95.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-28.9	179.3	-64	177.7	0	0	0	113.1	I174 H178 S183 N184 Y185 T215 A218 T375	I174-L181 HydrophobicContact CG2-CD1 3.85Å; H178-L181 HydrophobicContact CB-CB 4.18Å; H178-L181 HydrophobicContact CB-CD1 4.14Å; H178-L181 HydrophobicContact CB-CG 4.21Å; H178-L181 PolarHBondContact O-N 3.32Å; L181-S183 PolarHBondContact O-N 3.02Å; L181-N184 CarbonylContact O-C 3.49Å; L181-N184 WeakPolarHBondContact O-CA 3.45Å; L181-N184 PolarHBondContact O-N 3.1Å; L181-Y185 PolarHBondContact O-N 2.98Å; L181-T215 HydrophobicContact CD1-CG2 4.18Å; L181-A218 HydrophobicContact CD1-CB 3.9Å; L181-A218 HydrophobicContact CD2-CB 4.2Å; L181-T375 HydrophobicContact CG-CG2 4.34Å
182	A	96.4	Very high	95.9	Very high	51 Å²	51	34.1 Å²	34.1	42%	0.421	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-31.6	-169.5	0	0	0	0	0	114.4	Y176 H178	Y176-A182 WeakPolarHBondContact O-CA 3.3Å; H178-A182 WeakPolarHBondContact O-CB 3.28Å; H178-A182 PolarHBondContact O-N 2.83Å
183	S	96.1	Very high	95.9	Very high	71 Å²	71	35 Å²	35	50%	0.497	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-26.2	177.8	64.2	0	0	0	0	113.5	L181 K239	L181-S183 PolarHBondContact O-N 3.02Å; S183-K239 PolarHBondContact O-NZ 2.82Å
184	N	97.9	Very high	95.8	Very high	11 Å²	11	36.3 Å²	36.3	6%	0.059	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-8.1	-177.9	-72.8	-21.7	0	0	0	113	L181 N186 S222 Y236 S238 K239 V240	L181-N184 CarbonylContact O-C 3.49Å; L181-N184 WeakPolarHBondContact O-CA 3.45Å; L181-N184 PolarHBondContact O-N 3.1Å; N184-N186 PolarHBondContact O-N 3.14Å; N184-S222 PolarHBondContact ND2-O 3.15Å; N184-Y236 PolarHBondContact ND2-O 3.26Å; N184-S238 WeakPolarHBondContact CB-O 3.5Å; N184-K239 CarbonylContact O-C 3.57Å; N184-K239 VanDerWaalsContact O-CA 3.22Å; N184-K239 WeakPolarHBondContact O-CA 3.38Å; N184-K239 WeakPolarHBondContact O-CD 3.46Å; N184-V240 PolarHBondContact O-N 3.27Å
185	Y	98.1	Very high	95.5	Very high	39 Å²	39	38.9 Å²	38.9	15%	0.153	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-61.2	136.4	176	179.9	-119.7	0	0	0	112.7	Y176 L181 A187 S190 P200 V240	Y176-Y185 VanDerWaalsContact CB-CD2 3.46Å; Y176-Y185 HydrophobicContact CD1-CE1 4.3Å; Y176-Y185 HydrophobicContact CD1-CE2 4.29Å; Y176-Y185 AromaticContact CD1-CZ 3.91Å; Y176-Y185 HydrophobicContact CD2-CD1 4.36Å; Y176-Y185 HydrophobicContact CD2-CE1 4.08Å; Y176-Y185 HydrophobicContact CG-CD1 4.15Å; Y176-Y185 HydrophobicContact CG-CD2 4.45Å; Y176-Y185 AromaticContact CG-CE1 3.79Å; Y176-Y185 HydrophobicContact CG-CE1 3.79Å; Y176-Y185 HydrophobicContact CG-CE2 4.14Å; Y176-Y185 HydrophobicContact CG-CG 4.45Å; Y176-Y185 AromaticContact CG-CZ 3.8Å; L181-Y185 PolarHBondContact O-N 2.98Å; Y185-A187 HydrophobicContact CD1-CB 4.25Å; Y185-A187 HydrophobicContact CE1-CB 3.62Å; Y185-S190 WeakPolarHBondContact CE2-OG 3.43Å; Y185-S190 WeakPolarHBondContact OH-CB 3.3Å; Y185-S190 PolarHBondContact OH-OG 3.39Å; Y185-P200 WeakPolarHBondContact OH-CD 3.36Å; Y185-V240 CarbonylContact C-O 3.35Å; Y185-V240 WeakPolarHBondContact CA-O 3.46Å
186	N	97.5	Very high	95.3	Very high	32 Å²	32	44.1 Å²	44.1	17%	0.171	26%	0.255	C	S	.	.			trans	-113.3	99.1	172.8	-174.7	-10.2	0	0	0	109.9	T166 N184 D188 A189 S190 K239 V240	T166-N186 HydrophobicContact CG2-CB 4.35Å; T166-N186 PolarHBondContact OG1-ND2 2.9Å; N184-N186 PolarHBondContact O-N 3.14Å; N186-D188 PolarHBondContact OD1-N 3.19Å; N186-A189 HydrophobicContact CB-CB 4.49Å; N186-A189 PolarHBondContact OD1-N 3.08Å; N186-S190 WeakPolarHBondContact O-CB 3.34Å; N186-S190 PolarHBondContact O-N 3.25Å; N186-S190 PolarHBondContact O-OG 2.91Å; N186-K239 HydrophobicContact CB-CB 4.11Å; N186-V240 PolarHBondContact N-O 3.22Å
187	A	96.6	Very high	95.3	Very high	55 Å²	55	44.5 Å²	44.5	46%	0.455	26%	0.26	S	S	.	.	S	Bend	trans	-67.4	-36	-180	0	0	0	0	0	112.8	Y185 A189 S190	Y185-A187 HydrophobicContact CD1-CB 4.25Å; Y185-A187 HydrophobicContact CE1-CB 3.62Å; A187-A189 VanDerWaalsContact C-N 3.26Å; A187-A189 PolarHBondContact O-N 2.78Å; A187-S190 PolarHBondContact O-N 3.49Å
188	D	96.1	Very high	95.1	Very high	141 Å²	141	42.2 Å²	42.2	75%	0.754	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-27.8	-174.6	-63.9	-28.9	0	0	0	112.4	N186	N186-D188 PolarHBondContact OD1-N 3.19Å
189	A	96.3	Very high	95	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.008	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	4	177.7	0	0	0	0	0	113.6	T166 N186 A187 A241 H262 I267	T166-A189 HydrophobicContact CG2-CB 4.21Å; N186-A189 HydrophobicContact CB-CB 4.49Å; N186-A189 PolarHBondContact OD1-N 3.08Å; A187-A189 VanDerWaalsContact C-N 3.26Å; A187-A189 PolarHBondContact O-N 2.78Å; A189-A241 HydrophobicContact CB-CB 3.84Å; A189-A241 WeakPolarHBondContact O-CB 3.36Å; A189-H262 PolarHBondContact O-CD2 2.96Å; A189-H262 VanDerWaalsContact O-CD2 3.3Å; A189-H262 PolarHBondContact O-NE2 2.76Å; A189-I267 HydrophobicContact CB-CD1 4.23Å; A189-I267 HydrophobicContact CB-CG1 3.86Å
190	S	97.8	Very high	94.8	Very high	4 Å²	4	44.8 Å²	44.8	3%	0.028	26%	0.257	C	S	.	.			trans	-101.2	147.7	-176.4	-71.6	0	0	0	0	112.2	Y185 N186 A187 A241 G242	Y185-S190 WeakPolarHBondContact CE2-OG 3.43Å; Y185-S190 WeakPolarHBondContact OH-CB 3.3Å; Y185-S190 PolarHBondContact OH-OG 3.39Å; N186-S190 WeakPolarHBondContact O-CB 3.34Å; N186-S190 PolarHBondContact O-N 3.25Å; N186-S190 PolarHBondContact O-OG 2.91Å; A187-S190 PolarHBondContact O-N 3.49Å; S190-A241 WeakPolarHBondContact OG-CA 3.32Å; S190-G242 CarbonylContact C-O 3.57Å; S190-G242 WeakPolarHBondContact CA-O 3.22Å; S190-G242 WeakPolarHBondContact CB-O 3.15Å; S190-G242 PolarHBondContact OG-N 2.8Å
191	Y	97.2	Very high	94.6	Very high	58 Å²	58	46.7 Å²	46.7	23%	0.227	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	147.4	177.9	-159.2	-99	0	0	0	113.2	F193 N196 G242 I243 R244	Y191-F193 AromaticContact CD1-CD1 3.78Å; Y191-F193 HydrophobicContact CD1-CD1 3.78Å; Y191-F193 AromaticContact CD1-CD2 3.87Å; Y191-F193 HydrophobicContact CD1-CD2 3.87Å; Y191-F193 AromaticContact CD1-CE1 3.71Å; Y191-F193 HydrophobicContact CD1-CE1 3.71Å; Y191-F193 AromaticContact CD1-CE2 3.81Å; Y191-F193 HydrophobicContact CD1-CE2 3.81Å; Y191-F193 AromaticContact CD1-CG 3.86Å; Y191-F193 HydrophobicContact CD1-CG 3.86Å; Y191-F193 AromaticContact CD1-CZ 3.74Å; Y191-F193 HydrophobicContact CD1-CZ 3.74Å; Y191-F193 AromaticContact CE1-CD1 3.83Å; Y191-F193 HydrophobicContact CE1-CD1 3.83Å; Y191-F193 AromaticContact CE1-CE1 3.88Å; Y191-F193 HydrophobicContact CE1-CE1 3.88Å; Y191-F193 HydrophobicContact CE1-CG 4.26Å; Y191-F193 HydrophobicContact CE1-CZ 4.36Å; Y191-F193 HydrophobicContact CG-CE2 4.44Å; Y191-F193 HydrophobicContact CG-CZ 4.44Å; Y191-N196 PolarHBondContact OH-OD1 3.48Å; Y191-G242 PolarHBondContact N-O 2.93Å; Y191-I243 WeakPolarHBondContact O-CA 3.47Å; Y191-R244 PolarHBondContact O-N 3.15Å
192	D	94.9	Very high	94.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	104.1	171.4	-175	-8.7	0	0	0	110.2	S194 S195 N196 D197 R244	D192-S194 VanDerWaalsContact OD1-CA 3.31Å; D192-S194 WeakPolarHBondContact OD1-CA 3.33Å; D192-S194 VanDerWaalsContact OD1-CB 3.27Å; D192-S194 WeakPolarHBondContact OD1-CB 3.4Å; D192-S194 PolarHBondContact OD1-N 3.13Å; D192-S195 PolarHBondContact OD1-N 3.1Å; D192-S195 WeakPolarHBondContact OD2-CB 3.37Å; D192-S195 PolarHBondContact OD2-OG 2.91Å; D192-N196 CarbonylContact O-C 3.56Å; D192-N196 WeakPolarHBondContact O-CA 3.46Å; D192-N196 PolarHBondContact O-N 2.96Å; D192-D197 WeakPolarHBondContact CA-O 3.4Å; D192-D197 VanDerWaalsContact CB-O 3.32Å; D192-D197 WeakPolarHBondContact CB-O 3.15Å; D192-D197 PolarHBondContact N-O 2.93Å; D192-D197 PolarHBondContact O-N 2.83Å; D192-D197 VanDerWaalsContact O-N 3.12Å; D192-R244 HydrophobicContact CB-CB 4.26Å; D192-R244 IonicContact OD2-CZ 2.8Å; D192-R244 IonicContact OD2-NE 2.76Å; D192-R244 IonicContact OD2-NH1 3.46Å; D192-R244 PolarHBondContact OD2-NH1 3.46Å
193	F	93.1	Very high	93.5	Very high	37 Å²	37	49.7 Å²	49.7	16%	0.162	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-17.4	173.8	-71.6	-76.4	0	0	0	113.3	Y191 I243 R244 M245 I255 S258 S259 H262	Y191-F193 AromaticContact CD1-CD1 3.78Å; Y191-F193 HydrophobicContact CD1-CD1 3.78Å; Y191-F193 AromaticContact CD1-CD2 3.87Å; Y191-F193 HydrophobicContact CD1-CD2 3.87Å; Y191-F193 AromaticContact CD1-CE1 3.71Å; Y191-F193 HydrophobicContact CD1-CE1 3.71Å; Y191-F193 AromaticContact CD1-CE2 3.81Å; Y191-F193 HydrophobicContact CD1-CE2 3.81Å; Y191-F193 AromaticContact CD1-CG 3.86Å; Y191-F193 HydrophobicContact CD1-CG 3.86Å; Y191-F193 AromaticContact CD1-CZ 3.74Å; Y191-F193 HydrophobicContact CD1-CZ 3.74Å; Y191-F193 AromaticContact CE1-CD1 3.83Å; Y191-F193 HydrophobicContact CE1-CD1 3.83Å; Y191-F193 AromaticContact CE1-CE1 3.88Å; Y191-F193 HydrophobicContact CE1-CE1 3.88Å; Y191-F193 HydrophobicContact CE1-CG 4.26Å; Y191-F193 HydrophobicContact CE1-CZ 4.36Å; Y191-F193 HydrophobicContact CG-CE2 4.44Å; Y191-F193 HydrophobicContact CG-CZ 4.44Å; F193-I243 HydrophobicContact CD2-CG2 3.71Å; F193-I243 HydrophobicContact CE2-CG2 3.76Å; F193-R244 PolarHBondContact N-O 3.02Å; F193-M245 HydrophobicContact CB-CB 4.34Å; F193-I255 HydrophobicContact CB-CG2 3.97Å; F193-S258 VanDerWaalsContact CE1-CB 3.44Å; F193-S258 WeakPolarHBondContact CZ-O 3.46Å; F193-S259 WeakPolarHBondContact CD2-OG 3.28Å; F193-H262 HydrophobicContact CE2-CB 4.31Å; F193-H262 HydrophobicContact CZ-CB 4.31Å; F193-H262 AromaticContact CZ-ND1 3.93Å
194	S	89.4	Confident	92.2	Very high	29 Å²	29	51.2 Å²	51.2	20%	0.203	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-38.8	176.6	-58.6	0	0	0	0	111.9	D192 R244 D247	D192-S194 VanDerWaalsContact OD1-CA 3.31Å; D192-S194 WeakPolarHBondContact OD1-CA 3.33Å; D192-S194 VanDerWaalsContact OD1-CB 3.27Å; D192-S194 WeakPolarHBondContact OD1-CB 3.4Å; D192-S194 PolarHBondContact OD1-N 3.13Å; S194-R244 PolarHBondContact N-O 2.86Å; S194-D247 WeakPolarHBondContact CB-O 3.26Å; S194-D247 PolarHBondContact OG-O 3.34Å
195	S	88.9	Confident	90.7	Very high	55 Å²	55	52.6 Å²	52.6	39%	0.385	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-11	177.6	-42.5	0	0	0	0	113.4	D192 D197 R244	D192-S195 PolarHBondContact OD1-N 3.1Å; D192-S195 WeakPolarHBondContact OD2-CB 3.37Å; D192-S195 PolarHBondContact OD2-OG 2.91Å; S195-D197 VanDerWaalsContact CB-OD2 3.26Å; S195-D197 WeakPolarHBondContact CB-OD2 2.96Å; S195-R244 PolarHBondContact OG-NH1 3.39Å; S195-R244 VanDerWaalsContact OG-NH1 3.11Å
196	N	89.4	Confident	88.6	Confident	115 Å²	115	59.4 Å²	59.4	62%	0.615	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	52.7	-177.1	-167.1	49.6	0	0	0	113.5	Y191 D192	Y191-N196 PolarHBondContact OH-OD1 3.48Å; D192-N196 CarbonylContact O-C 3.56Å; D192-N196 WeakPolarHBondContact O-CA 3.46Å; D192-N196 PolarHBondContact O-N 2.96Å
197	D	93.4	Very high	86.5	Confident	52 Å²	52	62.1 Å²	62.1	28%	0.278	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	-145.5	169.2	179	76	61.5	0	0	0	110.9	D192 S195 F199	D192-D197 WeakPolarHBondContact CA-O 3.4Å; D192-D197 VanDerWaalsContact CB-O 3.32Å; D192-D197 WeakPolarHBondContact CB-O 3.15Å; D192-D197 PolarHBondContact N-O 2.93Å; D192-D197 PolarHBondContact O-N 2.83Å; D192-D197 VanDerWaalsContact O-N 3.12Å; S195-D197 VanDerWaalsContact CB-OD2 3.26Å; S195-D197 WeakPolarHBondContact CB-OD2 2.96Å; D197-F199 PolarHBondContact O-N 3.33Å; D197-F199 WeakPolarHBondContact OD1-CA 3.32Å; D197-F199 WeakPolarHBondContact OD1-CB 3.4Å; D197-F199 WeakPolarHBondContact OD1-CD2 3.39Å; D197-F199 PolarHBondContact OD1-N 3.02Å
198	P	92.3	Very high	84	Confident	68 Å²	68	71.1 Å²	71.1	44%	0.442	35%	0.346	S	S	.	.	S	Bend	trans	-81.5	4.7	-174	33.1	-34.3	0	0	0	114.1	P200	P198-P200 VanDerWaalsContact O-CD 3.25Å; P198-P200 WeakPolarHBondContact O-CD 3.4Å
199	F	92.8	Very high	81.9	Confident	121 Å²	121	72.2 Å²	72.2	53%	0.531	34%	0.344	S	S	.	.			trans	-110	93.7	-173.9	-53.2	-72.1	0	0	0	110.4	Y176 D197 F201	Y176-F199 HydrophobicContact CE1-CB 4.45Å; D197-F199 PolarHBondContact O-N 3.33Å; D197-F199 WeakPolarHBondContact OD1-CA 3.32Å; D197-F199 WeakPolarHBondContact OD1-CB 3.4Å; D197-F199 WeakPolarHBondContact OD1-CD2 3.39Å; D197-F199 PolarHBondContact OD1-N 3.02Å; F199-F201 PolarHBondContact O-N 2.58Å
200	P	92.8	Very high	80.2	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	36%	0.357	C	S	.	.			trans	-75.9	38.5	179.5	38.3	-43	0	0	0	112.2	G173 I174 Y176 Y185 P198 G242 R244	G173-P200 CarbonylContact C-O 3.47Å; G173-P200 VanDerWaalsContact CA-O 3.25Å; G173-P200 WeakPolarHBondContact CA-O 3.48Å; I174-P200 PolarHBondContact N-O 3.47Å; Y176-P200 HydrophobicContact CD1-CG 4.38Å; Y185-P200 WeakPolarHBondContact OH-CD 3.36Å; P198-P200 VanDerWaalsContact O-CD 3.25Å; P198-P200 WeakPolarHBondContact O-CD 3.4Å; P200-G242 WeakPolarHBondContact CB-O 3.28Å; P200-G242 WeakPolarHBondContact CG-O 3.23Å; P200-R244 HydrophobicContact CB-CB 3.87Å
201	F	91.6	Very high	79.2	Confident	41 Å²	41	74.8 Å²	74.8	18%	0.18	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-72.6	131.1	-178.4	-159	-98.6	0	0	0	109.6	D175 Y176 L177 F199 Y204 R244	D175-F201 VanDerWaalsContact OD1-CE2 3.28Å; D175-F201 WeakPolarHBondContact OD1-CE2 3.37Å; Y176-F201 AromaticContact CD1-CD2 3.97Å; Y176-F201 HydrophobicContact CD1-CD2 3.97Å; Y176-F201 HydrophobicContact CE1-CB 3.72Å; Y176-F201 AromaticContact CE1-CD2 3.58Å; Y176-F201 HydrophobicContact CE1-CD2 3.58Å; Y176-F201 HydrophobicContact CE1-CG 4.13Å; Y176-F201 HydrophobicContact CE2-CD2 4.31Å; Y176-F201 AromaticContact CZ-CD2 3.74Å; L177-F201 HydrophobicContact CB-CE2 4.28Å; L177-F201 HydrophobicContact CD1-CE2 3.92Å; L177-F201 HydrophobicContact CD1-CZ 4.39Å; L177-F201 HydrophobicContact CG-CE2 4.06Å; F199-F201 PolarHBondContact O-N 2.58Å; F201-Y204 HydrophobicContact CE1-CE1 4.32Å; F201-Y204 AromaticContact CE1-CE2 3.66Å; F201-Y204 HydrophobicContact CE1-CE2 3.66Å; F201-Y204 AromaticContact CE1-CZ 3.46Å; F201-Y204 VanDerWaalsContact CE1-CZ 3.46Å; F201-Y204 WeakPolarHBondContact CE1-OH 3.48Å; F201-Y204 HydrophobicContact CZ-CE2 4.4Å; F201-Y204 AromaticContact CZ-CZ 3.9Å; F201-Y204 WeakPolarHBondContact CZ-OH 3.46Å; F201-R244 PolarHBondContact O-NH1 2.78Å
202	P	89.6	Confident	78.7	Confident	3 Å²	3	72.3 Å²	72.3	2%	0.019	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-57.4	142.5	179.4	-28.3	35.7	0	0	0	112.6	I174 S211 L377	I174-P202 WeakPolarHBondContact O-CD 3.44Å; P202-S211 VanDerWaalsContact CB-O 3.25Å; P202-S211 WeakPolarHBondContact CB-O 3.42Å; P202-L377 HydrophobicContact CB-CD2 3.96Å; P202-L377 HydrophobicContact CG-CD2 3.75Å
203	R	81.5	Confident	78.6	Confident	111 Å²	111	74.5 Å²	74.5	42%	0.419	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-79	129.5	169.6	-153.4	-178.7	-62.5	124.2	6.7	108.8	T205 S211 D247	R203-T205 PolarHBondContact O-N 3.31Å; R203-S211 PolarHBondContact O-OG 3.43Å; R203-D247 VanDerWaalsContact CB-OD2 3.23Å; R203-D247 WeakPolarHBondContact CB-OD2 3.21Å; R203-D247 IonicContact CZ-OD1 3.84Å; R203-D247 IonicContact CZ-OD2 3.97Å; R203-D247 IonicContact NE-OD2 3.84Å; R203-D247 IonicContact NH1-OD1 3.23Å; R203-D247 PolarHBondContact NH1-OD1 3.46Å; R203-D247 IonicContact NH1-OD2 2.6Å; R203-D247 PolarHBondContact NH1-OD2 3.22Å; R203-D247 VanDerWaalsContact NH1-OD2 3.08Å; R203-D247 PolarHBondContact NH2-O 2.99Å; R203-D247 IonicContact NH2-OD1 2.85Å; R203-D247 IonicContact NH2-OD2 2.78Å; R203-D247 PolarHBondContact NH2-OD2 3.4Å
204	Y	70	Confident	78.7	Confident	103 Å²	103	72.8 Å²	72.8	40%	0.404	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-79.2	117.9	173.3	-58.3	-52.2	0	0	0	110.2	F201 Y378	F201-Y204 HydrophobicContact CE1-CE1 4.32Å; F201-Y204 AromaticContact CE1-CE2 3.66Å; F201-Y204 HydrophobicContact CE1-CE2 3.66Å; F201-Y204 AromaticContact CE1-CZ 3.46Å; F201-Y204 VanDerWaalsContact CE1-CZ 3.46Å; F201-Y204 WeakPolarHBondContact CE1-OH 3.48Å; F201-Y204 HydrophobicContact CZ-CE2 4.4Å; F201-Y204 AromaticContact CZ-CZ 3.9Å; F201-Y204 WeakPolarHBondContact CZ-OH 3.46Å; Y204-Y378 HydrophobicContact CD1-CD1 4.36Å; Y204-Y378 AromaticContact CD1-CE1 3.35Å; Y204-Y378 HydrophobicContact CD1-CE1 3.35Å; Y204-Y378 HydrophobicContact CD1-CE2 4.4Å; Y204-Y378 AromaticContact CD1-CZ 3.37Å; Y204-Y378 WeakPolarHBondContact CD1-OH 3.4Å; Y204-Y378 HydrophobicContact CD2-CE1 4.25Å; Y204-Y378 AromaticContact CE1-CD1 3.76Å; Y204-Y378 HydrophobicContact CE1-CD1 3.76Å; Y204-Y378 AromaticContact CE1-CE1 3.16Å; Y204-Y378 HydrophobicContact CE1-CE1 3.16Å; Y204-Y378 HydrophobicContact CE1-CE2 4.43Å; Y204-Y378 AromaticContact CE1-CZ 3.57Å; Y204-Y378 HydrophobicContact CE2-CE1 4.08Å; Y204-Y378 AromaticContact CG-CE1 3.88Å; Y204-Y378 HydrophobicContact CG-CE1 3.88Å; Y204-Y378 AromaticContact CZ-CD1 3.91Å; Y204-Y378 AromaticContact CZ-CE1 3.53Å
205	T	64.8	Low	79	Confident	39 Å²	39	71.4 Å²	71.4	24%	0.239	34%	0.343	C	S	.	.			trans	-126.1	143.4	172.5	56.9	0	0	0	0	109.6	R203 D207 F209	R203-T205 PolarHBondContact O-N 3.31Å; T205-D207 WeakPolarHBondContact CB-OD1 3.31Å; T205-D207 PolarHBondContact O-N 3.29Å; T205-D207 PolarHBondContact OG1-OD1 3.13Å; T205-F209 PolarHBondContact OG1-O 3.34Å; T205-F209 VanDerWaalsContact OG1-O 3.07Å
206	D	54.3	Low	79.3	Confident	183 Å²	183	71.2 Å²	71.2	98%	0.979	33%	0.334	S	S	*	.	S	Bend	trans	-81.6	12.9	175.3	-74.1	-33.8	0	0	0	112.3
207	D	53.4	Low	79.7	Confident	89 Å²	89	65.9 Å²	65.9	48%	0.476	31%	0.305	S	S	.	.	S	Bend	trans	-100.5	175	-178.1	66	7.7	0	0	0	113.1	T205 F209 N210	T205-D207 WeakPolarHBondContact CB-OD1 3.31Å; T205-D207 PolarHBondContact O-N 3.29Å; T205-D207 PolarHBondContact OG1-OD1 3.13Å; D207-F209 PolarHBondContact O-N 2.81Å; D207-F209 PolarHBondContact OD1-N 2.85Å; D207-N210 PolarHBondContact O-N 3.29Å
208	W	44.5	Very low	79.9	Confident	244 Å²	244	63.4 Å²	63.4	92%	0.924	29%	0.292	S	S	*	.	S	Bend	trans	-60.7	-22.3	179.2	172.9	-90.3	0	0	0	112.7	N210	W208-N210 PolarHBondContact O-N 3.3Å; W208-N210 VanDerWaalsContact O-N 3.12Å
209	F	51.7	Low	80.2	Confident	163 Å²	163	60.2 Å²	60.2	72%	0.715	27%	0.271	S	S	*	.			trans	-85.7	55.4	173.2	-76	-84.8	0	0	0	110.6	T205 D207 S211	T205-F209 PolarHBondContact OG1-O 3.34Å; T205-F209 VanDerWaalsContact OG1-O 3.07Å; D207-F209 PolarHBondContact O-N 2.81Å; D207-F209 PolarHBondContact OD1-N 2.85Å; F209-S211 PolarHBondContact O-N 3.25Å; F209-S211 VanDerWaalsContact O-N 3.14Å
210	N	61.7	Low	80.4	Confident	52 Å²	52	54.4 Å²	54.4	28%	0.278	25%	0.246	S	C	.	.			trans	-66.6	116.6	170.1	-168.8	14.8	0	0	0	107.8	D207 W208 S212 L377	D207-N210 PolarHBondContact O-N 3.29Å; W208-N210 PolarHBondContact O-N 3.3Å; W208-N210 VanDerWaalsContact O-N 3.12Å; N210-S212 PolarHBondContact O-N 2.75Å; N210-S212 PolarHBondContact O-OG 3.37Å; N210-S212 VanDerWaalsContact O-OG 3.11Å; N210-L377 WeakPolarHBondContact OD1-CD1 3.44Å
211	S	76.8	Confident	80.6	Confident	7 Å²	7	54.4 Å²	54.4	5%	0.049	25%	0.246	C	C	.	.	S	Bend	trans	-66.3	46.8	-178.3	-59.8	0	0	0	0	113.4	D172 P202 R203 F209	D172-S211 VanDerWaalsContact CG-C 3.49Å; D172-S211 WeakPolarHBondContact OD2-CA 3.48Å; P202-S211 VanDerWaalsContact CB-O 3.25Å; P202-S211 WeakPolarHBondContact CB-O 3.42Å; R203-S211 PolarHBondContact O-OG 3.43Å; F209-S211 PolarHBondContact O-N 3.25Å; F209-S211 VanDerWaalsContact O-N 3.14Å
212	S	86.1	Confident	80.9	Confident	7 Å²	7	52.5 Å²	52.5	5%	0.049	24%	0.237	C	C	.	.			trans	-95.6	-10.3	-174.2	57.5	0	0	0	0	112.1	D172 N210 T215 R216 D376	D172-S212 PolarHBondContact OD2-N 3Å; N210-S212 PolarHBondContact O-N 2.75Å; N210-S212 PolarHBondContact O-OG 3.37Å; N210-S212 VanDerWaalsContact O-OG 3.11Å; S212-T215 PolarHBondContact O-N 2.86Å; S212-R216 WeakPolarHBondContact O-CD 3.5Å; S212-R216 VanDerWaalsContact O-CG 3.29Å; S212-R216 WeakPolarHBondContact O-CG 3.35Å; S212-R216 PolarHBondContact O-N 3.02Å; S212-D376 WeakPolarHBondContact CB-OD1 3.37Å
213	H	92.6	Very high	81.3	Confident	46 Å²	46	52.4 Å²	52.4	21%	0.213	24%	0.237	C	C	.	.	H	α-helix	trans	-67.6	-52.8	-167.9	-172.4	-88.2	0	0	0	110.7	D171 D172 T215 R216 C217 S273 H385 S389	D171-H213 WeakPolarHBondContact OD1-CB 3.39Å; D171-H213 IonicContact OD1-CG 3.1Å; D171-H213 IonicContact OD1-ND1 3.62Å; D171-H213 PolarHBondContact OD1-ND1 3.27Å; D171-H213 VanDerWaalsContact OD1-ND1 3.1Å; D171-H213 IonicContact OD2-CE1 2.91Å; D171-H213 PolarHBondContact OD2-CE1 3.08Å; D171-H213 IonicContact OD2-CG 3.22Å; D171-H213 IonicContact OD2-ND1 3.1Å; D171-H213 PolarHBondContact OD2-ND1 3.39Å; D172-H213 PolarHBondContact OD1-N 3.41Å; D172-H213 WeakPolarHBondContact OD2-CB 3.31Å; D172-H213 PolarHBondContact OD2-N 3.04Å; H213-T215 VanDerWaalsContact C-N 3.28Å; H213-T215 PolarHBondContact O-N 2.93Å; H213-R216 WeakPolarHBondContact O-CB 3.34Å; H213-R216 PolarHBondContact O-N 2.93Å; H213-C217 VanDerWaalsContact CE1-SG 3.54Å; H213-C217 PolarHBondContact O-N 2.91Å; H213-C217 PolarHBondContact O-SG 2.61Å; H213-C217 VanDerWaalsContact O-SG 3.36Å; H213-S273 PolarHBondContact CE1-OG 3.29Å; H213-H385 AromaticContact NE2-CE1 3.75Å; H213-S389 WeakPolarHBondContact NE2-CB 3.18Å; H213-S389 PolarHBondContact NE2-OG 2.9Å
214	G	94.8	Very high	82	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.7	-33.8	177.4	0	0	0	0	0	113.6	D171 D172 G173 A218	D171-G214 PolarHBondContact OD1-N 3.42Å; D171-G214 VanDerWaalsContact OD1-N 3.09Å; D172-G214 PolarHBondContact OD1-N 2.88Å; G173-G214 CarbonylContact O-C 3.39Å; G173-G214 VanDerWaalsContact O-CA 3.31Å; G173-G214 WeakPolarHBondContact O-CA 3.48Å; G214-A218 VanDerWaalsContact O-CB 3.28Å; G214-A218 WeakPolarHBondContact O-CB 3.5Å; G214-A218 PolarHBondContact O-N 2.81Å
215	T	95.9	Very high	83.3	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-67.5	-36.7	175.2	-59.3	0	0	0	0	112.1	G173 D175 L181 S212 H213 G219 T375 L377	G173-T215 PolarHBondContact O-N 2.81Å; D175-T215 HydrophobicContact CB-CG2 3.82Å; D175-T215 PolarHBondContact N-OG1 3.23Å; L181-T215 HydrophobicContact CD1-CG2 4.18Å; S212-T215 PolarHBondContact O-N 2.86Å; H213-T215 VanDerWaalsContact C-N 3.28Å; H213-T215 PolarHBondContact O-N 2.93Å; T215-G219 PolarHBondContact O-N 2.81Å; T215-T375 PolarHBondContact O-OG1 2.7Å; T215-L377 HydrophobicContact CG2-CD2 4.38Å
216	R	96.2	Very high	84.7	Confident	52 Å²	52	46 Å²	46	20%	0.196	22%	0.221	C	C	.	.	H	α-helix	trans	-68.4	-46.4	175.8	-72.3	164.6	-177.2	179.1	0.9	111.2	S212 H213 A218 G219 E220 T374 T375 D376 T382	S212-R216 WeakPolarHBondContact O-CD 3.5Å; S212-R216 VanDerWaalsContact O-CG 3.29Å; S212-R216 WeakPolarHBondContact O-CG 3.35Å; S212-R216 PolarHBondContact O-N 3.02Å; H213-R216 WeakPolarHBondContact O-CB 3.34Å; H213-R216 PolarHBondContact O-N 2.93Å; R216-A218 VanDerWaalsContact C-N 3.31Å; R216-A218 PolarHBondContact O-N 3.31Å; R216-G219 PolarHBondContact O-N 3.12Å; R216-E220 PolarHBondContact O-N 2.8Å; R216-T374 HydrophobicContact CB-CG2 3.71Å; R216-T374 HydrophobicContact CG-CG2 3.99Å; R216-T374 WeakPolarHBondContact O-CG2 3.38Å; R216-T374 PolarHBondContact O-OG1 3.29Å; R216-T375 WeakPolarHBondContact CA-O 3.42Å; R216-T375 WeakPolarHBondContact CG-O 2.97Å; R216-D376 IonicContact CZ-OD1 3.58Å; R216-D376 IonicContact CZ-OD2 2.85Å; R216-D376 IonicContact NE-OD1 3.74Å; R216-D376 PolarHBondContact NE-OD1 3.28Å; R216-D376 IonicContact NE-OD2 2.97Å; R216-D376 IonicContact NH2-OD1 2.77Å; R216-D376 PolarHBondContact NH2-OD1 2.82Å; R216-D376 VanDerWaalsContact NH2-OD1 3.09Å; R216-D376 IonicContact NH2-OD2 2.62Å; R216-D376 PolarHBondContact NH2-OD2 2.92Å; R216-T382 HydrophobicContact CG-CG2 4Å
217	C	97.1	Very high	86.6	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.014	19%	0.186	C	C	.	.	H	α-helix	trans	-59.6	-41.5	175.2	-63.4	0	0	0	0	111.9	I169 H213 G219 E220 V221 P393	I169-C217 HydrophobicContact CG2-CB 3.89Å; H213-C217 VanDerWaalsContact CE1-SG 3.54Å; H213-C217 PolarHBondContact O-N 2.91Å; H213-C217 PolarHBondContact O-SG 2.61Å; H213-C217 VanDerWaalsContact O-SG 3.36Å; C217-G219 VanDerWaalsContact C-N 3.32Å; C217-G219 PolarHBondContact O-N 2.79Å; C217-E220 WeakPolarHBondContact CA-OE1 3.17Å; C217-E220 PolarHBondContact O-N 3.3Å; C217-V221 WeakPolarHBondContact O-CG2 3.37Å; C217-V221 PolarHBondContact O-N 2.76Å; C217-P393 HydrophobicContact CB-CB 4.17Å; C217-P393 HydrophobicContact CB-CG 3.52Å
218	A	97.8	Very high	88.5	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.7	-38.8	177.1	0	0	0	0	0	112.9	I169 I174 L181 G214 R216 V221 S222 V240	I169-A218 HydrophobicContact CG1-CB 4.19Å; I174-A218 HydrophobicContact CD1-CB 3.87Å; I174-A218 HydrophobicContact CG1-CB 4.22Å; I174-A218 HydrophobicContact CG2-CB 3.94Å; L181-A218 HydrophobicContact CD1-CB 3.9Å; L181-A218 HydrophobicContact CD2-CB 4.2Å; G214-A218 VanDerWaalsContact O-CB 3.28Å; G214-A218 WeakPolarHBondContact O-CB 3.5Å; G214-A218 PolarHBondContact O-N 2.81Å; R216-A218 VanDerWaalsContact C-N 3.31Å; R216-A218 PolarHBondContact O-N 3.31Å; A218-V221 PolarHBondContact O-N 3.19Å; A218-S222 PolarHBondContact O-N 2.89Å; A218-V240 HydrophobicContact CB-CG2 3.97Å
219	G	97.4	Very high	90.9	Very high	1 Å²	1	31 Å²	31	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-66.5	-38.1	177.5	0	0	0	0	0	113.6	T215 R216 C217 V221 A223 G233 T374 T375	T215-G219 PolarHBondContact O-N 2.81Å; R216-G219 PolarHBondContact O-N 3.12Å; C217-G219 VanDerWaalsContact C-N 3.32Å; C217-G219 PolarHBondContact O-N 2.79Å; G219-V221 PolarHBondContact O-N 2.89Å; G219-A223 WeakPolarHBondContact O-CB 3.4Å; G219-A223 PolarHBondContact O-N 3.02Å; G219-A223 VanDerWaalsContact O-N 3.08Å; G219-G233 WeakPolarHBondContact O-CA 3.26Å; G219-T374 VanDerWaalsContact C-OG1 3.27Å; G219-T374 VanDerWaalsContact CA-OG1 3.3Å; G219-T374 WeakPolarHBondContact CA-OG1 2.9Å; G219-T375 WeakPolarHBondContact CA-OG1 3.43Å; G219-T375 PolarHBondContact N-OG1 2.83Å
220	E	97.7	Very high	93	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.3	-33.8	177.6	-68	174	-82.6	0	0	111.6	R216 C217 G233 V234 V372 T374 H385 A390 P393	R216-E220 PolarHBondContact O-N 2.8Å; C217-E220 WeakPolarHBondContact CA-OE1 3.17Å; C217-E220 PolarHBondContact O-N 3.3Å; E220-G233 CarbonylContact O-C 3.42Å; E220-G233 WeakPolarHBondContact O-CA 3.4Å; E220-V234 PolarHBondContact O-N 2.71Å; E220-V372 HydrophobicContact CG-CG1 3.74Å; E220-V372 WeakPolarHBondContact OE2-CG1 3.37Å; E220-T374 HydrophobicContact CG-CG2 4.31Å; E220-T374 PolarHBondContact N-OG1 3Å; E220-T374 VanDerWaalsContact N-OG1 3.12Å; E220-H385 IonicContact OE1-CD2 3.09Å; E220-H385 PolarHBondContact OE1-CD2 3.34Å; E220-H385 IonicContact OE1-NE2 3.76Å; E220-H385 PolarHBondContact OE1-NE2 3.45Å; E220-H385 IonicContact OE2-CD2 2.93Å; E220-A390 WeakPolarHBondContact OE2-CB 3.35Å; E220-P393 HydrophobicContact CB-CB 4.02Å
221	V	97.6	Very high	94.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-84.6	-55.1	-179.2	-175	0	0	0	0	111.5	I167 I169 C217 A218 G219 G233 V234 A235 P393	I167-V221 HydrophobicContact CB-CG1 4.16Å; I167-V221 HydrophobicContact CD1-CG1 3.16Å; I167-V221 HydrophobicContact CG1-CG1 4.17Å; I167-V221 HydrophobicContact CG2-CG1 4.09Å; I169-V221 HydrophobicContact CD1-CG2 4.22Å; C217-V221 WeakPolarHBondContact O-CG2 3.37Å; C217-V221 PolarHBondContact O-N 2.76Å; A218-V221 PolarHBondContact O-N 3.19Å; G219-V221 PolarHBondContact O-N 2.89Å; V221-G233 CarbonylContact O-C 3.56Å; V221-V234 PolarHBondContact O-N 3.26Å; V221-A235 CarbonylContact O-C 3.58Å; V221-A235 VanDerWaalsContact O-C 3.23Å; V221-A235 WeakPolarHBondContact O-CA 3.36Å; V221-A235 PolarHBondContact O-N 3.02Å; V221-P393 HydrophobicContact CG2-CB 3.8Å; V221-P393 WeakPolarHBondContact CG2-O 3.45Å
222	S	97.7	Very high	95.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-130.3	16.9	-159.6	-62.1	0	0	0	0	114.6	N184 A218 A224 S238	N184-S222 PolarHBondContact ND2-O 3.15Å; A218-S222 PolarHBondContact O-N 2.89Å; S222-A224 PolarHBondContact O-N 2.94Å; S222-S238 PolarHBondContact OG-OG 3.29Å
223	A	97.8	Very high	96.1	Very high	2 Å²	2	20.4 Å²	20.4	2%	0.017	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-55.6	132.4	168.2	0	0	0	0	0	110.3	D180 G219 G233 Y236 T375	D180-A223 WeakPolarHBondContact O-CA 3.36Å; D180-A223 VanDerWaalsContact OD2-CB 3.29Å; D180-A223 WeakPolarHBondContact OD2-CB 3.26Å; G219-A223 WeakPolarHBondContact O-CB 3.4Å; G219-A223 PolarHBondContact O-N 3.02Å; G219-A223 VanDerWaalsContact O-N 3.08Å; A223-G233 PolarHBondContact O-N 3Å; A223-Y236 WeakPolarHBondContact O-CA 3.43Å; A223-Y236 WeakPolarHBondContact O-CB 3.3Å; A223-T375 HydrophobicContact CB-CG2 4.34Å
224	A	97.1	Very high	96.4	Very high	9 Å²	9	18.2 Å²	18.2	7%	0.074	10%	0.099	C	C	.	.	P	Polyproline II helix	trans	-68.3	143.1	-175.1	0	0	0	0	0	111.1	D180 S222	D180-A224 PolarHBondContact O-N 3.35Å; D180-A224 PolarHBondContact OD1-N 2.72Å; S222-A224 PolarHBondContact O-N 2.94Å
225	A	95.5	Very high	96.6	Very high	24 Å²	24	18.2 Å²	18.2	20%	0.198	10%	0.099	C	C	.	.	S	Bend	trans	-90.6	149.6	177.2	0	0	0	0	0	111.9	M125 N227 V232 Y236	M125-A225 HydrophobicContact SD-CB 4.45Å; A225-N227 VanDerWaalsContact C-N 3.33Å; A225-N227 PolarHBondContact O-N 2.83Å; A225-V232 HydrophobicContact CB-CG1 3.73Å; A225-V232 HydrophobicContact CB-CG2 4.29Å; A225-Y236 HydrophobicContact CB-CD1 4.19Å; A225-Y236 HydrophobicContact CB-CD2 3.56Å; A225-Y236 HydrophobicContact CB-CE2 3.99Å; A225-Y236 HydrophobicContact CB-CG 3.65Å
226	N	94.3	Very high	96.6	Very high	84 Å²	84	19.8 Å²	19.8	45%	0.449	11%	0.105	S	C	.	.	S	Bend	trans	58.3	37.6	171.7	-59.4	-65.3	0	0	0	114.6	M125 S126 D127	M125-N226 WeakPolarHBondContact CA-OD1 3.38Å; M125-N226 PolarHBondContact SD-ND2 3.34Å; S126-N226 PolarHBondContact N-OD1 2.62Å; S126-N226 VanDerWaalsContact N-OD1 3.09Å; S126-N226 WeakPolarHBondContact OG-CA 3.4Å; D127-N226 PolarHBondContact OD1-N 3.28Å; D127-N226 WeakPolarHBondContact OD2-CA 3.3Å; D127-N226 PolarHBondContact OD2-N 2.77Å
227	N	94.6	Very high	96.7	Very high	45 Å²	45	20.9 Å²	20.9	24%	0.241	12%	0.115	C	C	.	.	S	Bend	trans	-106.1	-3.5	175	67.5	5.9	0	0	0	112.5	D127 D180 A225 I229	D127-N227 PolarHBondContact OD1-N 3.22Å; D127-N227 PolarHBondContact OD1-OD1 2.72Å; D180-N227 PolarHBondContact OD1-ND2 2.73Å; A225-N227 VanDerWaalsContact C-N 3.33Å; A225-N227 PolarHBondContact O-N 2.83Å; N227-I229 VanDerWaalsContact C-N 3.31Å; N227-I229 WeakPolarHBondContact OD1-CA 3.29Å; N227-I229 WeakPolarHBondContact OD1-CB 3.44Å; N227-I229 PolarHBondContact OD1-N 3.08Å; N227-I229 PolarHBondContact OD1-O 3.13Å
228	N	94.6	Very high	96.8	Very high	107 Å²	107	20.8 Å²	20.8	57%	0.572	11%	0.114	S	C	*	.	S	Bend	trans	67.4	25.4	-175.6	-51.7	-64.8	0	0	0	114	S126 D127	S126-N228 VanDerWaalsContact CB-OD1 3.23Å; S126-N228 WeakPolarHBondContact CB-OD1 3.09Å; S126-N228 PolarHBondContact O-OD1 3.04Å; S126-N228 PolarHBondContact OG-OD1 3.25Å; S126-N228 VanDerWaalsContact OG-OD1 3.05Å; D127-N228 PolarHBondContact OD1-N 3.07Å
229	I	94.5	Very high	96.8	Very high	51 Å²	51	24.5 Å²	24.5	26%	0.262	13%	0.13	S	C	.	.	S	Bend	trans	-123.3	138.7	-178.4	-54.9	-178.6	0	0	0	107.8	P179 D180 N227 G231	P179-I229 HydrophobicContact CB-CD1 3.61Å; P179-I229 HydrophobicContact CG-CD1 3.96Å; P179-I229 HydrophobicContact CG-CG2 4.1Å; D180-I229 HydrophobicContact CB-CG2 3.99Å; N227-I229 VanDerWaalsContact C-N 3.31Å; N227-I229 WeakPolarHBondContact OD1-CA 3.29Å; N227-I229 WeakPolarHBondContact OD1-CB 3.44Å; N227-I229 PolarHBondContact OD1-N 3.08Å; N227-I229 PolarHBondContact OD1-O 3.13Å; I229-G231 PolarHBondContact O-N 3.28Å; I229-G231 VanDerWaalsContact O-N 3.1Å
230	C	95.7	Very high	96.8	Very high	4 Å²	4	24.5 Å²	24.5	3%	0.027	13%	0.13	C	C	.	.	S	Bend	trans	39.6	-116.7	178	-57.2	0	0	0	0	113.7	P128 L129 D180 C381	P128-C230 WeakPolarHBondContact CD-O 3.4Å; L129-C230 WeakPolarHBondContact CA-O 3.48Å; L129-C230 WeakPolarHBondContact CB-O 3.4Å; L129-C230 HydrophobicContact CD1-CB 4.34Å; L129-C230 WeakPolarHBondContact CG-O 3.34Å; L129-C230 PolarHBondContact N-O 3.22Å; D180-C230 WeakPolarHBondContact OD2-CB 3.29Å; C230-C381 WeakPolarHBondContact CA-SG 3.39Å; C230-C381 HydrophobicContact CB-CB 3.74Å; C230-C381 WeakPolarHBondContact CB-SG 3.43Å; C230-C381 WeakPolarHBondContact SG-CB 3.43Å; C230-C381 CovalentContact SG-SG 2.02Å; C230-C381 PolarHBondContact SG-SG 3.11Å
231	G	95.7	Very high	96.9	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.01	13%	0.13	C	C	.	.			trans	-133	-148.2	-175.3	0	0	0	0	0	110.7	I229	I229-G231 PolarHBondContact O-N 3.28Å; I229-G231 VanDerWaalsContact O-N 3.1Å
232	V	97	Very high	96.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.13	C	C	.	.			trans	-134.4	135.1	-176.4	-176.8	0	0	0	0	110.3	M125 D127 F130 Q133 L136 W156 A225 Y236	M125-V232 HydrophobicContact CB-CG2 4.02Å; M125-V232 HydrophobicContact CG-CG2 4.07Å; D127-V232 HydrophobicContact CB-CG2 4.03Å; D127-V232 VanDerWaalsContact OD2-CG2 3.3Å; D127-V232 WeakPolarHBondContact OD2-CG2 3.23Å; F130-V232 HydrophobicContact CD2-CB 4.17Å; F130-V232 HydrophobicContact CD2-CG2 3.93Å; Q133-V232 PolarHBondContact NE2-O 3.39Å; L136-V232 WeakPolarHBondContact CD1-O 3.44Å; W156-V232 HydrophobicContact CH2-CG1 4.23Å; W156-V232 HydrophobicContact CZ2-CG1 4.47Å; A225-V232 HydrophobicContact CB-CG1 3.73Å; A225-V232 HydrophobicContact CB-CG2 4.29Å; V232-Y236 HydrophobicContact CG1-CD1 3.65Å; V232-Y236 HydrophobicContact CG1-CG 3.94Å
233	G	97.5	Very high	96.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.13	C	C	.	.			trans	-71.5	153.4	174.4	0	0	0	0	0	111.8	G219 E220 V221 A223 A235 Y236	G219-G233 WeakPolarHBondContact O-CA 3.26Å; E220-G233 CarbonylContact O-C 3.42Å; E220-G233 WeakPolarHBondContact O-CA 3.4Å; V221-G233 CarbonylContact O-C 3.56Å; A223-G233 PolarHBondContact O-N 3Å; G233-A235 PolarHBondContact O-N 3.07Å; G233-Y236 PolarHBondContact O-N 3.02Å
234	V	97.9	Very high	96.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-41.4	173	172.9	0	0	0	0	110.8	L136 L150 V152 W156 E220 V221 V398 L401	L136-V234 HydrophobicContact CD2-CB 4.46Å; L136-V234 HydrophobicContact CD2-CG2 3.59Å; L150-V234 HydrophobicContact CD1-CG2 4.11Å; V152-V234 HydrophobicContact CG1-CG1 3.85Å; W156-V234 PolarHBondContact NE1-O 3.41Å; E220-V234 PolarHBondContact O-N 2.71Å; V221-V234 PolarHBondContact O-N 3.26Å; V234-V398 HydrophobicContact CG1-CG2 3.99Å; V234-L401 HydrophobicContact CG1-CD1 4Å
235	A	98	Very high	96.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	60.8	179.5	0	0	0	0	0	110.1	T161 V221 G233 N237 S238 A400 L401	T161-A235 CarbonylContact O-C 3.51Å; T161-A235 VanDerWaalsContact O-CA 3.29Å; T161-A235 WeakPolarHBondContact O-CA 3.47Å; V221-A235 CarbonylContact O-C 3.58Å; V221-A235 VanDerWaalsContact O-C 3.23Å; V221-A235 WeakPolarHBondContact O-CA 3.36Å; V221-A235 PolarHBondContact O-N 3.02Å; G233-A235 PolarHBondContact O-N 3.07Å; A235-N237 PolarHBondContact O-N 2.97Å; A235-S238 WeakPolarHBondContact CB-OG 3.41Å; A235-S238 VanDerWaalsContact O-CB 3.3Å; A235-S238 WeakPolarHBondContact O-CB 3.43Å; A235-S238 PolarHBondContact O-N 2.92Å; A235-S238 PolarHBondContact O-OG 2.9Å; A235-A400 HydrophobicContact CB-CB 3.89Å; A235-L401 HydrophobicContact CB-CD2 4.2Å
236	Y	97.7	Very high	96.2	Very high	33 Å²	33	26.3 Å²	26.3	13%	0.129	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-8.3	-171	60.9	-103.4	0	0	0	117.2	M125 W156 T161 N184 A223 A225 V232 G233	M125-Y236 HydrophobicContact CE-CE1 4Å; W156-Y236 AromaticContact CD1-CE1 3.94Å; W156-Y236 AromaticContact CD2-CE1 3.84Å; W156-Y236 HydrophobicContact CD2-CE1 3.84Å; W156-Y236 AromaticContact CE2-CD1 3.91Å; W156-Y236 AromaticContact CE2-CE1 3.62Å; W156-Y236 HydrophobicContact CE3-CE1 4.46Å; W156-Y236 HydrophobicContact CG-CE1 4.02Å; W156-Y236 AromaticContact CZ2-CD1 3.94Å; W156-Y236 HydrophobicContact CZ2-CD1 3.94Å; W156-Y236 HydrophobicContact CZ2-CE1 4.05Å; W156-Y236 AromaticContact NE1-CE1 3.69Å; T161-Y236 HydrophobicContact CG2-CE1 4.04Å; T161-Y236 HydrophobicContact CG2-CE2 3.72Å; T161-Y236 WeakPolarHBondContact CG2-OH 3.32Å; T161-Y236 PolarHBondContact O-N 3.45Å; N184-Y236 PolarHBondContact ND2-O 3.26Å; A223-Y236 WeakPolarHBondContact O-CA 3.43Å; A223-Y236 WeakPolarHBondContact O-CB 3.3Å; A225-Y236 HydrophobicContact CB-CD1 4.19Å; A225-Y236 HydrophobicContact CB-CD2 3.56Å; A225-Y236 HydrophobicContact CB-CE2 3.99Å; A225-Y236 HydrophobicContact CB-CG 3.65Å; V232-Y236 HydrophobicContact CG1-CD1 3.65Å; V232-Y236 HydrophobicContact CG1-CG 3.94Å; G233-Y236 PolarHBondContact O-N 3.02Å
237	N	98	Very high	95.7	Very high	76 Å²	76	23.6 Å²	23.6	41%	0.406	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	4.9	171.3	-80.5	-34.7	0	0	0	113.1	T161 K163 A235	T161-N237 PolarHBondContact O-N 3.16Å; T161-N237 WeakPolarHBondContact OG1-CB 3.44Å; T161-N237 PolarHBondContact OG1-ND2 3.33Å; K163-N237 HydrophobicContact CB-CB 4.28Å; A235-N237 PolarHBondContact O-N 2.97Å
238	S	98.3	Very high	95.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	-72.3	165.3	170.2	66.6	0	0	0	0	111.4	G162 I167 N184 S222 A235	G162-S238 WeakPolarHBondContact O-CA 3.36Å; G162-S238 WeakPolarHBondContact O-CB 3.4Å; G162-S238 PolarHBondContact O-N 2.99Å; I167-S238 WeakPolarHBondContact CD1-OG 3.23Å; N184-S238 WeakPolarHBondContact CB-O 3.5Å; S222-S238 PolarHBondContact OG-OG 3.29Å; A235-S238 WeakPolarHBondContact CB-OG 3.41Å; A235-S238 VanDerWaalsContact O-CB 3.3Å; A235-S238 WeakPolarHBondContact O-CB 3.43Å; A235-S238 PolarHBondContact O-N 2.92Å; A235-S238 PolarHBondContact O-OG 2.9Å
239	K	98.5	Very high	94.2	Very high	78 Å²	78	24.5 Å²	24.5	34%	0.339	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	139.9	173.1	-69.3	-57.1	-174.8	-178.7	0	110	V165 T166 I167 S183 N184 N186	V165-K239 PolarHBondContact O-N 3Å; T166-K239 CarbonylContact C-O 3.57Å; T166-K239 WeakPolarHBondContact CA-O 3.35Å; T166-K239 HydrophobicContact CG2-CB 4.32Å; I167-K239 PolarHBondContact N-O 3.37Å; S183-K239 PolarHBondContact O-NZ 2.82Å; N184-K239 CarbonylContact O-C 3.57Å; N184-K239 VanDerWaalsContact O-CA 3.22Å; N184-K239 WeakPolarHBondContact O-CA 3.38Å; N184-K239 WeakPolarHBondContact O-CD 3.46Å; N186-K239 HydrophobicContact CB-CB 4.11Å
240	V	98.2	Very high	93.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.2	176	66.6	0	0	0	0	110.8	I167 I169 I174 N184 Y185 N186 A218	I167-V240 CarbonylContact O-C 3.07Å; I167-V240 WeakPolarHBondContact O-CA 3.32Å; I169-V240 HydrophobicContact CG1-CG2 3.86Å; I174-V240 HydrophobicContact CD1-CG2 3.85Å; N184-V240 PolarHBondContact O-N 3.27Å; Y185-V240 CarbonylContact C-O 3.35Å; Y185-V240 WeakPolarHBondContact CA-O 3.46Å; N186-V240 PolarHBondContact N-O 3.22Å; A218-V240 HydrophobicContact CB-CG2 3.97Å
241	A	98.1	Very high	93	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	142.9	172.8	0	0	0	0	0	110	T166 I167 A168 I169 I174 A189 S190	T166-A241 HydrophobicContact CG2-CB 4.19Å; I167-A241 PolarHBondContact O-N 3.36Å; A168-A241 CarbonylContact C-O 3.49Å; A168-A241 WeakPolarHBondContact CA-O 3.45Å; A168-A241 HydrophobicContact CB-CB 4.23Å; I169-A241 PolarHBondContact N-O 3.23Å; I174-A241 WeakPolarHBondContact CD1-O 3.02Å; A189-A241 HydrophobicContact CB-CB 3.84Å; A189-A241 WeakPolarHBondContact O-CB 3.36Å; S190-A241 WeakPolarHBondContact OG-CA 3.32Å
242	G	97.6	Very high	92.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	125.4	175.5	0	0	0	0	0	110.7	S190 Y191 P200	S190-G242 CarbonylContact C-O 3.57Å; S190-G242 WeakPolarHBondContact CA-O 3.22Å; S190-G242 WeakPolarHBondContact CB-O 3.15Å; S190-G242 PolarHBondContact OG-N 2.8Å; Y191-G242 PolarHBondContact N-O 2.93Å; P200-G242 WeakPolarHBondContact CB-O 3.28Å; P200-G242 WeakPolarHBondContact CG-O 3.23Å
243	I	97.3	Very high	92.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	96.8	170.3	-61.4	177.1	0	0	0	107.3	A168 I169 M170 D171 Y191 F193 M245 H262 I267 Y270	A168-I243 HydrophobicContact CB-CD1 3.74Å; A168-I243 HydrophobicContact CB-CG1 4.24Å; I169-I243 PolarHBondContact O-N 3.21Å; M170-I243 HydrophobicContact CG-CB 4.1Å; M170-I243 HydrophobicContact CG-CD1 3.99Å; M170-I243 HydrophobicContact CG-CG2 4.33Å; D171-I243 PolarHBondContact N-O 2.79Å; Y191-I243 WeakPolarHBondContact O-CA 3.47Å; F193-I243 HydrophobicContact CD2-CG2 3.71Å; F193-I243 HydrophobicContact CE2-CG2 3.76Å; I243-M245 PolarHBondContact O-N 3.19Å; I243-H262 HydrophobicContact CD1-CB 3.94Å; I243-I267 HydrophobicContact CD1-CD1 4.16Å; I243-Y270 HydrophobicContact CD1-CD1 4.3Å; I243-Y270 HydrophobicContact CD1-CE1 4.2Å
244	R	95.1	Very high	92.1	Very high	13 Å²	13	39.8 Å²	39.8	5%	0.049	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	112.7	179.1	176	171.6	171.3	-142.6	5.1	109.1	D171 D172 Y191 D192 F193 S194 S195 P200 F201 D247	D171-R244 WeakPolarHBondContact O-CA 3.42Å; D172-R244 WeakPolarHBondContact O-CD 3.45Å; D172-R244 WeakPolarHBondContact O-CG 3.42Å; Y191-R244 PolarHBondContact O-N 3.15Å; D192-R244 HydrophobicContact CB-CB 4.26Å; D192-R244 IonicContact OD2-CZ 2.8Å; D192-R244 IonicContact OD2-NE 2.76Å; D192-R244 IonicContact OD2-NH1 3.46Å; D192-R244 PolarHBondContact OD2-NH1 3.46Å; F193-R244 PolarHBondContact N-O 3.02Å; S194-R244 PolarHBondContact N-O 2.86Å; S195-R244 PolarHBondContact OG-NH1 3.39Å; S195-R244 VanDerWaalsContact OG-NH1 3.11Å; P200-R244 HydrophobicContact CB-CB 3.87Å; F201-R244 PolarHBondContact O-NH1 2.78Å; R244-D247 IonicContact CZ-OD2 3.95Å; R244-D247 IonicContact NE-OD2 3.19Å; R244-D247 PolarHBondContact NE-OD2 3.45Å; R244-D247 IonicContact NH2-OD2 3.52Å; R244-D247 PolarHBondContact NH2-OD2 2.98Å
245	M	92.8	Very high	91.8	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.			trans	-140.9	-20.4	-177.3	65.4	90.3	75.5	0	0	113.6	D171 F193 I243 Q248 M251 I255 E256 S259 W274	D171-M245 PolarHBondContact O-N 3.31Å; F193-M245 HydrophobicContact CB-CB 4.34Å; I243-M245 PolarHBondContact O-N 3.19Å; M245-Q248 WeakPolarHBondContact O-CG 3.33Å; M245-Q248 PolarHBondContact O-NE2 2.98Å; M245-M251 HydrophobicContact CE-CE 3.93Å; M245-M251 HydrophobicContact CE-SD 3.68Å; M245-M251 VanDerWaalsContact O-CE 3.22Å; M245-M251 WeakPolarHBondContact O-CE 3.45Å; M245-M251 HydrophobicContact SD-CE 3.63Å; M245-M251 HydrophobicContact SD-SD 4.2Å; M245-I255 HydrophobicContact CB-CG2 4.06Å; M245-I255 HydrophobicContact CE-CG2 4.44Å; M245-E256 HydrophobicContact CE-CB 4.46Å; M245-E256 HydrophobicContact CE-CG 4.01Å; M245-S259 WeakPolarHBondContact CB-OG 3.22Å; M245-W274 HydrophobicContact CE-CH2 4.17Å; M245-W274 HydrophobicContact CE-CZ2 3.84Å; M245-W274 HydrophobicContact SD-CZ2 4.38Å
246	L	89.7	Confident	91.6	Very high	60 Å²	60	42 Å²	42	31%	0.314	22%	0.215	S	C	.	.	S	Bend	trans	-81.2	-17.9	-178.6	-63.8	179.6	0	0	0	114.4	D171 D172 Q248 M251 W274	D171-L246 HydrophobicContact CB-CD1 4.45Å; D171-L246 PolarHBondContact O-N 3.18Å; D172-L246 HydrophobicContact CB-CB 4.45Å; L246-Q248 PolarHBondContact O-N 3.02Å; L246-M251 HydrophobicContact CD2-CE 3.86Å; L246-W274 HydrophobicContact CD1-CB 4.17Å; L246-W274 HydrophobicContact CD1-CG 4.37Å; L246-W274 HydrophobicContact CD2-CB 3.88Å; L246-W274 HydrophobicContact CD2-CG 3.89Å
247	D	83.5	Confident	91.4	Very high	28 Å²	28	40.8 Å²	40.8	15%	0.15	21%	0.212	C	C	.	.	S	Bend	trans	-85.3	61.8	-176	-174.7	11.2	0	0	0	112.8	S194 R203 R244	S194-D247 WeakPolarHBondContact CB-O 3.26Å; S194-D247 PolarHBondContact OG-O 3.34Å; R203-D247 VanDerWaalsContact CB-OD2 3.23Å; R203-D247 WeakPolarHBondContact CB-OD2 3.21Å; R203-D247 IonicContact CZ-OD1 3.84Å; R203-D247 IonicContact CZ-OD2 3.97Å; R203-D247 IonicContact NE-OD2 3.84Å; R203-D247 IonicContact NH1-OD1 3.23Å; R203-D247 PolarHBondContact NH1-OD1 3.46Å; R203-D247 IonicContact NH1-OD2 2.6Å; R203-D247 PolarHBondContact NH1-OD2 3.22Å; R203-D247 VanDerWaalsContact NH1-OD2 3.08Å; R203-D247 PolarHBondContact NH2-O 2.99Å; R203-D247 IonicContact NH2-OD1 2.85Å; R203-D247 IonicContact NH2-OD2 2.78Å; R203-D247 PolarHBondContact NH2-OD2 3.4Å; R244-D247 IonicContact CZ-OD2 3.95Å; R244-D247 IonicContact NE-OD2 3.19Å; R244-D247 PolarHBondContact NE-OD2 3.45Å; R244-D247 IonicContact NH2-OD2 3.52Å; R244-D247 PolarHBondContact NH2-OD2 2.98Å
248	Q	80.6	Confident	91.2	Very high	42 Å²	42	38.9 Å²	38.9	20%	0.196	20%	0.204	C	C	.	.	S	Bend	trans	-149.4	155.7	178.2	58.4	-179.7	-29.2	0	0	112.6	M245 L246 F250 M251	M245-Q248 WeakPolarHBondContact O-CG 3.33Å; M245-Q248 PolarHBondContact O-NE2 2.98Å; L246-Q248 PolarHBondContact O-N 3.02Å; Q248-F250 VanDerWaalsContact C-N 3.26Å; Q248-F250 VanDerWaalsContact CD-O 3.3Å; Q248-F250 WeakPolarHBondContact CG-O 3.11Å; Q248-F250 PolarHBondContact O-N 2.56Å; Q248-F250 PolarHBondContact OE1-O 2.61Å; Q248-M251 HydrophobicContact CG-CE 4.47Å; Q248-M251 PolarHBondContact NE2-SD 2.5Å
249	P	76.4	Confident	91.1	Very high	129 Å²	129	38.9 Å²	38.9	84%	0.838	20%	0.204	S	C	*	.	S	Bend	trans	-65.5	-24.5	-173.8	-22.2	33.6	0	0	0	115.2
250	F	80.8	Confident	90.9	Very high	141 Å²	141	35.2 Å²	35.2	62%	0.618	19%	0.188	S	C	*	.	S	Bend	trans	-150.3	143.3	178.9	47.7	-95.8	0	0	0	110	Q248 T252	Q248-F250 VanDerWaalsContact C-N 3.26Å; Q248-F250 VanDerWaalsContact CD-O 3.3Å; Q248-F250 WeakPolarHBondContact CG-O 3.11Å; Q248-F250 PolarHBondContact O-N 2.56Å; Q248-F250 PolarHBondContact OE1-O 2.61Å; F250-T252 HydrophobicContact CD2-CG2 3.81Å; F250-T252 HydrophobicContact CE2-CG2 4.06Å
251	M	85.4	Confident	90.8	Very high	65 Å²	65	37.6 Å²	37.6	32%	0.32	21%	0.205	S	C	.	.			trans	-88.7	141.2	172.1	-163.9	57.6	62.8	0	0	110.1	M245 L246 Q248 I255 E256	M245-M251 HydrophobicContact CE-CE 3.93Å; M245-M251 HydrophobicContact CE-SD 3.68Å; M245-M251 VanDerWaalsContact O-CE 3.22Å; M245-M251 WeakPolarHBondContact O-CE 3.45Å; M245-M251 HydrophobicContact SD-CE 3.63Å; M245-M251 HydrophobicContact SD-SD 4.2Å; L246-M251 HydrophobicContact CD2-CE 3.86Å; Q248-M251 HydrophobicContact CG-CE 4.47Å; Q248-M251 PolarHBondContact NE2-SD 2.5Å; M251-I255 HydrophobicContact SD-CB 4.1Å; M251-I255 HydrophobicContact SD-CG2 3.88Å; M251-E256 HydrophobicContact CG-CG 3.52Å; M251-E256 VanDerWaalsContact CG-OE1 3.28Å; M251-E256 WeakPolarHBondContact CG-OE1 3.44Å; M251-E256 HydrophobicContact SD-CG 3.93Å
252	T	89.9	Confident	90.8	Very high	45 Å²	45	39 Å²	39	28%	0.276	21%	0.212	S	C	.	.			trans	-124.4	150.6	174.6	65.4	0	0	0	0	109.8	F250 I254 I255 E256	F250-T252 HydrophobicContact CD2-CG2 3.81Å; F250-T252 HydrophobicContact CE2-CG2 4.06Å; T252-I254 PolarHBondContact O-N 3.09Å; T252-I254 VanDerWaalsContact O-N 3.14Å; T252-I254 VanDerWaalsContact OG1-CG2 3.31Å; T252-I254 WeakPolarHBondContact OG1-CG2 3.38Å; T252-I255 PolarHBondContact O-N 3.38Å; T252-I255 WeakPolarHBondContact OG1-CD1 3.41Å; T252-I255 WeakPolarHBondContact OG1-CG1 3.12Å; T252-E256 PolarHBondContact O-N 3.12Å; T252-E256 VanDerWaalsContact O-N 3.15Å
253	D	90.6	Very high	90.7	Very high	29 Å²	29	42.3 Å²	42.3	16%	0.155	23%	0.228	C	C	.	.	H	α-helix	trans	-52.4	-38.1	179.1	-170.5	18.9	0	0	0	112.2	I255 E256 A257 R287 L289 T290	D253-I255 VanDerWaalsContact C-N 3.32Å; D253-I255 PolarHBondContact O-N 3Å; D253-E256 PolarHBondContact O-N 3.41Å; D253-A257 WeakPolarHBondContact O-CB 3.29Å; D253-A257 PolarHBondContact O-N 3.21Å; D253-R287 HydrophobicContact CB-CB 3.98Å; D253-R287 WeakPolarHBondContact OD1-CB 3.28Å; D253-R287 VanDerWaalsContact OD2-CB 3.31Å; D253-R287 WeakPolarHBondContact OD2-CB 3.09Å; D253-L289 VanDerWaalsContact OD2-CB 3.32Å; D253-L289 WeakPolarHBondContact OD2-CB 3.49Å; D253-L289 WeakPolarHBondContact OD2-CG 3.38Å; D253-L289 PolarHBondContact OD2-N 2.95Å; D253-T290 PolarHBondContact O-OG1 2.98Å; D253-T290 VanDerWaalsContact OD1-CB 3.3Å; D253-T290 WeakPolarHBondContact OD1-CB 3.3Å; D253-T290 PolarHBondContact OD1-N 3.36Å; D253-T290 PolarHBondContact OD1-OG1 3.02Å
254	I	91.1	Very high	90.7	Very high	96 Å²	96	44 Å²	44	49%	0.492	24%	0.239	S	C	.	.	H	α-helix	trans	-68.1	-31.6	179.7	-172.8	60.5	0	0	0	112.5	T252 S258 L289	T252-I254 PolarHBondContact O-N 3.09Å; T252-I254 VanDerWaalsContact O-N 3.14Å; T252-I254 VanDerWaalsContact OG1-CG2 3.31Å; T252-I254 WeakPolarHBondContact OG1-CG2 3.38Å; I254-S258 WeakPolarHBondContact O-CB 3.15Å; I254-S258 PolarHBondContact O-N 2.94Å; I254-S258 PolarHBondContact O-OG 2.76Å; I254-L289 HydrophobicContact CB-CD1 4.4Å; I254-L289 HydrophobicContact CD1-CD1 4.25Å
255	I	90.5	Very high	90.8	Very high	27 Å²	27	48.2 Å²	48.2	14%	0.138	26%	0.259	C	S	.	.	H	α-helix	trans	-76.1	-42.3	178.8	-63.7	170.9	0	0	0	110.2	F193 M245 M251 T252 D253 S258 S259	F193-I255 HydrophobicContact CB-CG2 3.97Å; M245-I255 HydrophobicContact CB-CG2 4.06Å; M245-I255 HydrophobicContact CE-CG2 4.44Å; M251-I255 HydrophobicContact SD-CB 4.1Å; M251-I255 HydrophobicContact SD-CG2 3.88Å; T252-I255 PolarHBondContact O-N 3.38Å; T252-I255 WeakPolarHBondContact OG1-CD1 3.41Å; T252-I255 WeakPolarHBondContact OG1-CG1 3.12Å; D253-I255 VanDerWaalsContact C-N 3.32Å; D253-I255 PolarHBondContact O-N 3Å; I255-S258 PolarHBondContact O-N 2.79Å; I255-S259 VanDerWaalsContact O-CB 3.3Å; I255-S259 WeakPolarHBondContact O-CB 3.4Å; I255-S259 PolarHBondContact O-N 3.19Å; I255-S259 PolarHBondContact O-OG 3.45Å
256	E	93.5	Very high	90.9	Very high	21 Å²	21	52.2 Å²	52.2	10%	0.098	28%	0.281	C	S	.	.	H	α-helix	trans	-58.2	-52.2	171.8	-68.9	170.5	160.2	0	0	110.6	M245 M251 T252 D253 S258 S259 I260 W274 T290 Y327	M245-E256 HydrophobicContact CE-CB 4.46Å; M245-E256 HydrophobicContact CE-CG 4.01Å; M251-E256 HydrophobicContact CG-CG 3.52Å; M251-E256 VanDerWaalsContact CG-OE1 3.28Å; M251-E256 WeakPolarHBondContact CG-OE1 3.44Å; M251-E256 HydrophobicContact SD-CG 3.93Å; T252-E256 PolarHBondContact O-N 3.12Å; T252-E256 VanDerWaalsContact O-N 3.15Å; D253-E256 PolarHBondContact O-N 3.41Å; E256-S258 PolarHBondContact O-N 2.97Å; E256-S259 PolarHBondContact O-N 3.34Å; E256-I260 WeakPolarHBondContact O-CB 3.3Å; E256-I260 WeakPolarHBondContact O-CG1 3.48Å; E256-I260 PolarHBondContact O-N 3.32Å; E256-W274 HydrophobicContact CB-CH2 4.42Å; E256-W274 HydrophobicContact CG-CH2 4.2Å; E256-W274 HydrophobicContact CG-CZ3 4.22Å; E256-T290 HydrophobicContact CB-CG2 3.99Å; E256-T290 VanDerWaalsContact CB-OG1 3.29Å; E256-T290 WeakPolarHBondContact CB-OG1 3.42Å; E256-Y327 PolarHBondContact OE1-OH 3.37Å; E256-Y327 PolarHBondContact OE2-OH 3.08Å
257	A	93.8	Very high	91.3	Very high	7 Å²	7	49.4 Å²	49.4	6%	0.058	27%	0.266	C	S	.	.	H	α-helix	trans	-59.4	-43.6	178.3	0	0	0	0	0	112.8	D253 S259 S261 L289 T290 A293	D253-A257 WeakPolarHBondContact O-CB 3.29Å; D253-A257 PolarHBondContact O-N 3.21Å; A257-S259 VanDerWaalsContact C-N 3.35Å; A257-S261 WeakPolarHBondContact O-CB 3.18Å; A257-S261 PolarHBondContact O-N 2.82Å; A257-S261 VanDerWaalsContact O-N 3.09Å; A257-S261 PolarHBondContact O-OG 3.29Å; A257-L289 HydrophobicContact CB-CB 3.85Å; A257-T290 PolarHBondContact N-OG1 3.27Å; A257-A293 HydrophobicContact CB-CB 3.99Å; A257-A293 WeakPolarHBondContact O-CB 3.26Å
258	S	94.1	Very high	92	Very high	36 Å²	36	49.4 Å²	49.4	25%	0.252	27%	0.266	S	S	.	.	H	α-helix	trans	-68.3	-34.9	179.3	-58.6	0	0	0	0	112.1	F193 I254 I255 E256 H262	F193-S258 VanDerWaalsContact CE1-CB 3.44Å; F193-S258 WeakPolarHBondContact CZ-O 3.46Å; I254-S258 WeakPolarHBondContact O-CB 3.15Å; I254-S258 PolarHBondContact O-N 2.94Å; I254-S258 PolarHBondContact O-OG 2.76Å; I255-S258 PolarHBondContact O-N 2.79Å; E256-S258 PolarHBondContact O-N 2.97Å; S258-H262 PolarHBondContact O-N 2.9Å; S258-H262 VanDerWaalsContact O-N 3.13Å
259	S	94.9	Very high	92.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-68.3	-49.2	177.3	-58.4	0	0	0	0	111.3	F193 M245 I255 E256 A257 S261 H262	F193-S259 WeakPolarHBondContact CD2-OG 3.28Å; M245-S259 WeakPolarHBondContact CB-OG 3.22Å; I255-S259 VanDerWaalsContact O-CB 3.3Å; I255-S259 WeakPolarHBondContact O-CB 3.4Å; I255-S259 PolarHBondContact O-N 3.19Å; I255-S259 PolarHBondContact O-OG 3.45Å; E256-S259 PolarHBondContact O-N 3.34Å; A257-S259 VanDerWaalsContact C-N 3.35Å; S259-S261 VanDerWaalsContact C-N 3.27Å; S259-S261 PolarHBondContact O-N 2.78Å; S259-H262 WeakPolarHBondContact O-CB 3.33Å; S259-H262 PolarHBondContact O-N 2.82Å
260	I	95.3	Very high	94	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.6	-28.9	-179.5	-72.5	-175.1	0	0	0	112.8	M170 E256 W274 T290 A293 M294 Y309 W311	M170-I260 HydrophobicContact CE-CG1 4.14Å; M170-I260 HydrophobicContact SD-CG1 4Å; E256-I260 WeakPolarHBondContact O-CB 3.3Å; E256-I260 WeakPolarHBondContact O-CG1 3.48Å; E256-I260 PolarHBondContact O-N 3.32Å; I260-W274 HydrophobicContact CD1-CH2 4.12Å; I260-T290 HydrophobicContact CD1-CG2 3.71Å; I260-A293 HydrophobicContact CG2-CB 4.32Å; I260-M294 HydrophobicContact CD1-CG 3.91Å; I260-M294 HydrophobicContact CD1-SD 4.36Å; I260-M294 HydrophobicContact CG2-CB 4.49Å; I260-M294 HydrophobicContact CG2-CG 3.73Å; I260-Y309 HydrophobicContact CB-CE1 4.41Å; I260-Y309 HydrophobicContact CG2-CD1 4.37Å; I260-Y309 HydrophobicContact CG2-CE1 3.54Å; I260-Y309 HydrophobicContact CG2-CE2 4.48Å; I260-Y309 WeakPolarHBondContact CG2-OH 3.36Å; I260-Y309 PolarHBondContact O-OH 3.4Å; I260-W311 HydrophobicContact CD1-CH2 3.94Å; I260-W311 HydrophobicContact CD1-CZ3 4.47Å; I260-W311 HydrophobicContact CG1-CH2 4.46Å
261	S	95.9	Very high	94.8	Very high	51 Å²	51	34.7 Å²	34.7	36%	0.357	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	9.6	179.7	63.9	0	0	0	0	113.9	A257 S259 M263 P264	A257-S261 WeakPolarHBondContact O-CB 3.18Å; A257-S261 PolarHBondContact O-N 2.82Å; A257-S261 VanDerWaalsContact O-N 3.09Å; A257-S261 PolarHBondContact O-OG 3.29Å; S259-S261 VanDerWaalsContact C-N 3.27Å; S259-S261 PolarHBondContact O-N 2.78Å; S261-M263 PolarHBondContact O-N 2.81Å; S261-P264 WeakPolarHBondContact O-CD 3.32Å
262	H	97.2	Very high	95.3	Very high	29 Å²	29	31.7 Å²	31.7	13%	0.134	17%	0.174	C	C	.	.	S	Bend	trans	-68.6	123.9	180	-173.8	70.3	0	0	0	110.8	A189 F193 I243 S258 S259 I267 Y270	A189-H262 PolarHBondContact O-CD2 2.96Å; A189-H262 VanDerWaalsContact O-CD2 3.3Å; A189-H262 PolarHBondContact O-NE2 2.76Å; F193-H262 HydrophobicContact CE2-CB 4.31Å; F193-H262 HydrophobicContact CZ-CB 4.31Å; F193-H262 AromaticContact CZ-ND1 3.93Å; I243-H262 HydrophobicContact CD1-CB 3.94Å; S258-H262 PolarHBondContact O-N 2.9Å; S258-H262 VanDerWaalsContact O-N 3.13Å; S259-H262 WeakPolarHBondContact O-CB 3.33Å; S259-H262 PolarHBondContact O-N 2.82Å; H262-I267 WeakPolarHBondContact O-CD1 3.43Å; H262-Y270 PolarHBondContact O-OH 2.85Å
263	M	96.4	Very high	95.4	Very high	70 Å²	70	31.1 Å²	31.1	35%	0.345	17%	0.172	S	C	.	.	S	Bend	trans	44.9	53.4	172.5	-61.3	-67	-83.1	0	0	115.6	S261 Q265 D266 I267	S261-M263 PolarHBondContact O-N 2.81Å; M263-Q265 PolarHBondContact O-N 3.26Å; M263-D266 HydrophobicContact CB-CB 4.44Å; M263-D266 WeakPolarHBondContact CE-OD2 3.46Å; M263-D266 PolarHBondContact O-N 2.64Å; M263-I267 HydrophobicContact CB-CD1 4.15Å; M263-I267 HydrophobicContact CB-CG1 4.48Å; M263-I267 PolarHBondContact O-N 2.89Å
264	P	96.4	Very high	95.5	Very high	34 Å²	34	31 Å²	31	22%	0.221	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-0.4	-170.5	34	-37	0	0	0	114	S261 Y270 G301 R302	S261-P264 WeakPolarHBondContact O-CD 3.32Å; P264-Y270 WeakPolarHBondContact CA-OH 3.37Å; P264-G301 CarbonylContact O-C 3.56Å; P264-G301 VanDerWaalsContact O-CA 3.26Å; P264-G301 WeakPolarHBondContact O-CA 3.24Å; P264-R302 PolarHBondContact O-N 3.36Å
265	Q	97.1	Very high	95.5	Very high	103 Å²	103	28 Å²	28	48%	0.481	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-21.5	172.1	-56.1	-53.4	-46	0	0	112.4	M263 K300	M263-Q265 PolarHBondContact O-N 3.26Å; Q265-K300 PolarHBondContact NE2-O 2.86Å
266	D	96.5	Very high	95.5	Very high	84 Å²	84	27.8 Å²	27.8	45%	0.449	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-29.9	-177.8	-60.1	-54.3	0	0	0	112	T166 M263	T166-D266 VanDerWaalsContact CB-O 3.26Å; T166-D266 WeakPolarHBondContact CB-O 3.43Å; T166-D266 PolarHBondContact OG1-O 3.27Å; M263-D266 HydrophobicContact CB-CB 4.44Å; M263-D266 WeakPolarHBondContact CE-OD2 3.46Å; M263-D266 PolarHBondContact O-N 2.64Å
267	I	98.4	Very high	95.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.186	C	C	.	.			trans	-90.8	126.6	172.3	-63.9	164.6	0	0	0	109.4	T166 A168 A189 I243 H262 M263 I269 Y270	T166-I267 HydrophobicContact CG2-CG1 4.24Å; A168-I267 HydrophobicContact CB-CD1 3.7Å; A168-I267 HydrophobicContact CB-CG1 4.14Å; A168-I267 HydrophobicContact CB-CG2 3.62Å; A189-I267 HydrophobicContact CB-CD1 4.23Å; A189-I267 HydrophobicContact CB-CG1 3.86Å; I243-I267 HydrophobicContact CD1-CD1 4.16Å; H262-I267 WeakPolarHBondContact O-CD1 3.43Å; M263-I267 HydrophobicContact CB-CD1 4.15Å; M263-I267 HydrophobicContact CB-CG1 4.48Å; M263-I267 PolarHBondContact O-N 2.89Å; I267-I269 WeakPolarHBondContact CG2-O 3.11Å; I267-Y270 HydrophobicContact CB-CE1 4.23Å; I267-Y270 HydrophobicContact CB-CE2 4.1Å; I267-Y270 HydrophobicContact CD1-CE1 3.95Å; I267-Y270 HydrophobicContact CG2-CD1 4.08Å; I267-Y270 HydrophobicContact CG2-CD2 3.89Å; I267-Y270 HydrophobicContact CG2-CE1 3.78Å; I267-Y270 HydrophobicContact CG2-CE2 3.55Å; I267-Y270 HydrophobicContact CG2-CG 4.13Å
268	D	98.3	Very high	95.2	Very high	28 Å²	28	33.9 Å²	33.9	15%	0.15	20%	0.198	C	C	.	.			trans	-89	-44.5	176.8	-66.6	-75.6	0	0	0	112.3	V165 T166 R302 I308 L403	V165-D268 WeakPolarHBondContact CA-OD2 3.38Å; V165-D268 HydrophobicContact CG1-CB 3.79Å; T166-D268 PolarHBondContact N-OD2 3.2Å; T166-D268 PolarHBondContact O-N 3.24Å; D268-R302 WeakPolarHBondContact O-CD 3.25Å; D268-R302 IonicContact OD1-CZ 2.68Å; D268-R302 IonicContact OD1-NE 3.16Å; D268-R302 PolarHBondContact OD1-NE 2.8Å; D268-R302 IonicContact OD1-NH2 2.92Å; D268-I308 PolarHBondContact O-N 3.46Å; D268-I308 VanDerWaalsContact O-N 3.12Å; D268-L403 HydrophobicContact CB-CD1 3.72Å
269	I	98.8	Very high	95.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	133.7	-171.3	-58.5	164.8	0	0	0	109	V165 T166 I167 A168 I267 I308 V310 A396 F399 A400 L403	V165-I269 HydrophobicContact CG1-CD1 4.11Å; T166-I269 PolarHBondContact O-N 3.38Å; I167-I269 CarbonylContact C-O 3.53Å; I167-I269 VanDerWaalsContact CA-O 3.32Å; I167-I269 WeakPolarHBondContact CA-O 3.42Å; I167-I269 HydrophobicContact CB-CB 4.49Å; I167-I269 HydrophobicContact CG1-CB 4.07Å; I167-I269 HydrophobicContact CG1-CD1 4.09Å; I167-I269 HydrophobicContact CG2-CB 4.25Å; I167-I269 HydrophobicContact CG2-CG2 4.26Å; A168-I269 PolarHBondContact N-O 3.13Å; I267-I269 WeakPolarHBondContact CG2-O 3.11Å; I269-I308 CarbonylContact C-O 3.03Å; I269-I308 WeakPolarHBondContact CA-O 3.4Å; I269-I308 HydrophobicContact CG1-CB 4.1Å; I269-I308 HydrophobicContact CG1-CD1 4.26Å; I269-I308 HydrophobicContact CG1-CG2 4.39Å; I269-I308 HydrophobicContact CG2-CG2 4.34Å; I269-V310 HydrophobicContact CG2-CG2 3.72Å; I269-A396 HydrophobicContact CG2-CB 3.91Å; I269-F399 HydrophobicContact CD1-CB 3.81Å; I269-A400 HydrophobicContact CD1-CB 3.99Å; I269-L403 HydrophobicContact CD1-CD1 3.87Å; I269-L403 HydrophobicContact CG1-CD1 3.93Å
270	Y	98.6	Very high	95	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	119.6	173.5	-62.3	-101.3	0	0	0	107.9	A168 M170 I243 H262 P264 I267 I308 Y309 V310	A168-Y270 HydrophobicContact CB-CD1 4.05Å; A168-Y270 HydrophobicContact CB-CE1 4.41Å; A168-Y270 WeakPolarHBondContact O-CA 3.49Å; M170-Y270 HydrophobicContact CG-CD1 4.38Å; M170-Y270 HydrophobicContact SD-CD1 3.83Å; M170-Y270 HydrophobicContact SD-CG 4.46Å; I243-Y270 HydrophobicContact CD1-CD1 4.3Å; I243-Y270 HydrophobicContact CD1-CE1 4.2Å; H262-Y270 PolarHBondContact O-OH 2.85Å; P264-Y270 WeakPolarHBondContact CA-OH 3.37Å; I267-Y270 HydrophobicContact CB-CE1 4.23Å; I267-Y270 HydrophobicContact CB-CE2 4.1Å; I267-Y270 HydrophobicContact CD1-CE1 3.95Å; I267-Y270 HydrophobicContact CG2-CD1 4.08Å; I267-Y270 HydrophobicContact CG2-CD2 3.89Å; I267-Y270 HydrophobicContact CG2-CE1 3.78Å; I267-Y270 HydrophobicContact CG2-CE2 3.55Å; I267-Y270 HydrophobicContact CG2-CG 4.13Å; Y270-I308 PolarHBondContact N-O 3.16Å; Y270-Y309 HydrophobicContact CD1-CE1 4.31Å; Y270-Y309 AromaticContact CD2-CD1 3.98Å; Y270-Y309 HydrophobicContact CD2-CD1 3.98Å; Y270-Y309 AromaticContact CD2-CE1 3.56Å; Y270-Y309 HydrophobicContact CD2-CE1 3.56Å; Y270-Y309 HydrophobicContact CE2-CE1 4.14Å; Y270-Y309 AromaticContact CG-CD1 3.94Å; Y270-Y309 HydrophobicContact CG-CD1 3.94Å; Y270-Y309 AromaticContact CG-CE1 3.67Å; Y270-Y309 HydrophobicContact CG-CE1 3.67Å; Y270-V310 PolarHBondContact O-N 2.88Å
271	S	98.4	Very high	94.9	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.021	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	128.1	176.1	-170.9	0	0	0	0	109.4	A168 M170	A168-S271 PolarHBondContact O-N 2.94Å; M170-S271 PolarHBondContact N-O 2.67Å
272	A	95.8	Very high	94.8	Very high	3 Å²	3	38 Å²	38	3%	0.025	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	151.6	175.9	0	0	0	0	0	111.5	M170 W274 V310 W311 A312	M170-A272 HydrophobicContact CB-CB 4.47Å; M170-A272 HydrophobicContact CE-CB 3.63Å; A272-W274 HydrophobicContact CB-CZ2 4.44Å; A272-V310 PolarHBondContact N-O 2.69Å; A272-W311 HydrophobicContact CB-CD2 3.81Å; A272-W311 HydrophobicContact CB-CE3 3.82Å; A272-W311 HydrophobicContact CB-CH2 3.62Å; A272-W311 HydrophobicContact CB-CZ2 3.58Å; A272-W311 HydrophobicContact CB-CZ3 3.74Å; A272-W311 VanDerWaalsContact O-CA 3.32Å; A272-W311 WeakPolarHBondContact O-CA 3.33Å; A272-A312 PolarHBondContact O-N 3.11Å
273	S	91.7	Very high	94.7	Very high	33 Å²	33	38.1 Å²	38.1	23%	0.231	21%	0.214	C	C	.	.			trans	-139.8	23.4	176.8	62.6	0	0	0	0	112.2	H213 S389	H213-S273 PolarHBondContact CE1-OG 3.29Å; S273-S389 VanDerWaalsContact CB-CB 3.44Å; S273-S389 WeakPolarHBondContact OG-CB 3.47Å
274	W	92.2	Very high	94.6	Very high	25 Å²	25	38.1 Å²	38.1	10%	0.095	22%	0.216	C	C	.	.			trans	-105.3	160	175.2	49.6	-97.3	0	0	0	109.9	M170 M245 L246 E256 I260 A272 W311 Y327	M170-W274 HydrophobicContact CE-CZ2 4.23Å; M170-W274 PolarHBondContact O-NE1 2.96Å; M245-W274 HydrophobicContact CE-CH2 4.17Å; M245-W274 HydrophobicContact CE-CZ2 3.84Å; M245-W274 HydrophobicContact SD-CZ2 4.38Å; L246-W274 HydrophobicContact CD1-CB 4.17Å; L246-W274 HydrophobicContact CD1-CG 4.37Å; L246-W274 HydrophobicContact CD2-CB 3.88Å; L246-W274 HydrophobicContact CD2-CG 3.89Å; E256-W274 HydrophobicContact CB-CH2 4.42Å; E256-W274 HydrophobicContact CG-CH2 4.2Å; E256-W274 HydrophobicContact CG-CZ3 4.22Å; I260-W274 HydrophobicContact CD1-CH2 4.12Å; A272-W274 HydrophobicContact CB-CZ2 4.44Å; W274-W311 AromaticContact CD2-CZ2 3.9Å; W274-W311 HydrophobicContact CD2-CZ2 3.9Å; W274-W311 AromaticContact CE2-CZ2 3.73Å; W274-W311 AromaticContact CE3-CZ2 3.85Å; W274-W311 HydrophobicContact CE3-CZ2 3.85Å; W274-W311 AromaticContact CH2-CH2 3.62Å; W274-W311 HydrophobicContact CH2-CH2 3.62Å; W274-W311 AromaticContact CH2-CZ2 3.52Å; W274-W311 HydrophobicContact CH2-CZ2 3.52Å; W274-W311 AromaticContact CZ2-CH2 3.5Å; W274-W311 HydrophobicContact CZ2-CH2 3.5Å; W274-W311 AromaticContact CZ2-CZ2 3.55Å; W274-W311 HydrophobicContact CZ2-CZ2 3.55Å; W274-W311 HydrophobicContact CZ3-CH2 4.24Å; W274-W311 AromaticContact CZ3-CZ2 3.67Å; W274-W311 HydrophobicContact CZ3-CZ2 3.67Å; W274-W311 PolarHBondContact O-NE1 2.63Å; W274-Y327 HydrophobicContact CH2-CD1 4.33Å; W274-Y327 AromaticContact CH2-CE1 3.99Å; W274-Y327 HydrophobicContact CH2-CE1 3.99Å; W274-Y327 AromaticContact CZ3-CD1 3.92Å; W274-Y327 HydrophobicContact CZ3-CD1 3.92Å; W274-Y327 AromaticContact CZ3-CE1 3.55Å; W274-Y327 HydrophobicContact CZ3-CE1 3.55Å; W274-Y327 HydrophobicContact CZ3-CE2 4.2Å; W274-Y327 HydrophobicContact CZ3-CG 4.4Å; W274-Y327 AromaticContact CZ3-CZ 3.71Å
275	G	91.8	Very high	94.5	Very high	35 Å²	35	36.9 Å²	36.9	36%	0.361	21%	0.209	S	C	.	.			trans	-176	-161	-178.6	0	0	0	0	0	109.8
276	P	91	Very high	94.3	Very high	21 Å²	21	32.8 Å²	32.8	14%	0.136	19%	0.192	C	C	.	.	S	Bend	trans	-58.1	168.5	166.7	-17.2	32.3	0	0	0	110.8	D278 T282 D284 D325	P276-D278 PolarHBondContact O-N 3.18Å; P276-T282 HydrophobicContact CB-CG2 3.7Å; P276-D284 HydrophobicContact CB-CB 4.06Å; P276-D284 HydrophobicContact CG-CB 3.92Å; P276-D284 VanDerWaalsContact CG-O 3.23Å; P276-D284 WeakPolarHBondContact CG-O 3.45Å; P276-D325 WeakPolarHBondContact CD-OD1 3.2Å; P276-D325 HydrophobicContact CG-CB 4.25Å
277	T	89.9	Confident	94.1	Very high	98 Å²	98	35.5 Å²	35.5	60%	0.601	20%	0.195	S	C	*	.			trans	-72.4	124.7	177.1	-53.4	0	0	0	0	110.8	D279 T282	T277-D279 HydrophobicContact CG2-CB 4.07Å; T277-D279 PolarHBondContact O-N 3.49Å; T277-T282 WeakPolarHBondContact O-CB 3.14Å; T277-T282 PolarHBondContact O-OG1 2.89Å
278	D	90.9	Very high	93.9	Very high	58 Å²	58	43.1 Å²	43.1	31%	0.31	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	51.5	178.2	-57.6	-11.5	0	0	0	113	P276 D315	P276-D278 PolarHBondContact O-N 3.18Å; D278-D315 PolarHBondContact OD2-N 3.49Å
279	D	91.3	Very high	93.7	Very high	50 Å²	50	45.4 Å²	45.4	27%	0.267	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-3.3	-176.5	73.6	-17	0	0	0	113.6	T277 K281 T282 R546	T277-D279 HydrophobicContact CG2-CB 4.07Å; T277-D279 PolarHBondContact O-N 3.49Å; D279-K281 VanDerWaalsContact C-N 3.3Å; D279-K281 WeakPolarHBondContact OD1-CA 3.3Å; D279-K281 WeakPolarHBondContact OD1-CB 3.24Å; D279-K281 PolarHBondContact OD1-N 2.96Å; D279-T282 PolarHBondContact OD1-N 3Å; D279-T282 PolarHBondContact OD1-OG1 3.03Å; D279-R546 WeakPolarHBondContact O-CD 3.16Å; D279-R546 PolarHBondContact O-NH1 2.83Å
280	G	92.1	Very high	93.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	16.2	-173.3	0	0	0	0	0	113.6	Y319 D320 D547	G280-Y319 WeakPolarHBondContact CA-O 3.34Å; G280-D320 VanDerWaalsContact CA-CG 3.41Å; G280-D320 VanDerWaalsContact CA-OD2 3.24Å; G280-D320 WeakPolarHBondContact CA-OD2 3.42Å; G280-D320 PolarHBondContact N-OD2 3.42Å; G280-D547 WeakPolarHBondContact O-CB 3.38Å; G280-D547 PolarHBondContact O-N 3.23Å
281	K	93.7	Very high	93.3	Very high	80 Å²	80	48.7 Å²	48.7	35%	0.348	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136	-33.6	-175.5	-44.9	-170.2	-178.6	-175.1	0	113.2	D279 R523 R544 R546	D279-K281 VanDerWaalsContact C-N 3.3Å; D279-K281 WeakPolarHBondContact OD1-CA 3.3Å; D279-K281 WeakPolarHBondContact OD1-CB 3.24Å; D279-K281 PolarHBondContact OD1-N 2.96Å; K281-R523 PolarHBondContact O-NH2 3.46Å; K281-R544 PolarHBondContact O-NH2 2.87Å; K281-R546 HydrophobicContact CD-CB 4.28Å; K281-R546 VanDerWaalsContact CD-O 3.31Å; K281-R546 WeakPolarHBondContact CD-O 3.49Å; K281-R546 WeakPolarHBondContact CE-O 3.39Å; K281-R546 HydrophobicContact CG-CB 3.7Å; K281-R546 WeakPolarHBondContact CG-O 3.4Å
282	T	93.9	Very high	93.1	Very high	43 Å²	43	53.9 Å²	53.9	26%	0.264	28%	0.284	S	S	.	.			trans	-69.2	143.3	-174.7	-53.7	0	0	0	0	110.4	P276 T277 D279 D284 R544	P276-T282 HydrophobicContact CB-CG2 3.7Å; T277-T282 WeakPolarHBondContact O-CB 3.14Å; T277-T282 PolarHBondContact O-OG1 2.89Å; D279-T282 PolarHBondContact OD1-N 3Å; D279-T282 PolarHBondContact OD1-OG1 3.03Å; T282-D284 HydrophobicContact CG2-CB 4.22Å; T282-R544 PolarHBondContact O-NH1 3.01Å
283	V	94.8	Very high	93.2	Very high	32 Å²	32	54.1 Å²	54.1	19%	0.194	29%	0.286	C	S	.	.			trans	-135.5	107.2	168.2	-179.5	0	0	0	0	104.4	C324 R523 F554 W557	V283-C324 WeakPolarHBondContact CA-O 3.33Å; V283-C324 HydrophobicContact CG2-CB 4.05Å; V283-R523 VanDerWaalsContact CG2-CZ 3.44Å; V283-R523 VanDerWaalsContact CG2-NH1 3.33Å; V283-F554 HydrophobicContact CB-CE1 4.44Å; V283-F554 HydrophobicContact CG1-CD1 4.08Å; V283-F554 HydrophobicContact CG1-CE1 3.8Å; V283-F554 HydrophobicContact CG2-CE1 3.79Å; V283-F554 HydrophobicContact CG2-CZ 4.28Å; V283-W557 HydrophobicContact CG1-CD2 3.84Å; V283-W557 HydrophobicContact CG1-CE3 3.78Å; V283-W557 HydrophobicContact CG1-CH2 3.76Å; V283-W557 HydrophobicContact CG1-CZ2 3.81Å; V283-W557 HydrophobicContact CG1-CZ3 3.74Å
284	D	94.3	Very high	93.4	Very high	71 Å²	71	52.6 Å²	52.6	38%	0.38	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-154	163.6	-178.8	-155.2	3.9	0	0	0	109.9	P276 T282 R287 C324 G326 W557	P276-D284 HydrophobicContact CB-CB 4.06Å; P276-D284 HydrophobicContact CG-CB 3.92Å; P276-D284 VanDerWaalsContact CG-O 3.23Å; P276-D284 WeakPolarHBondContact CG-O 3.45Å; T282-D284 HydrophobicContact CG2-CB 4.22Å; D284-R287 IonicContact OD2-NH2 2.75Å; D284-C324 PolarHBondContact N-O 3.35Å; D284-G326 PolarHBondContact O-N 2.63Å; D284-W557 WeakPolarHBondContact O-CH2 3.25Å
285	G	94	Very high	93.6	Very high	8 Å²	8	52.4 Å²	52.4	8%	0.082	28%	0.279	C	S	.	.			trans	-163.3	-176.7	-176.4	0	0	0	0	0	112.3	R287	G285-R287 PolarHBondContact O-N 3.31Å
286	P	93.9	Very high	93.8	Very high	17 Å²	17	53.5 Å²	53.5	11%	0.11	28%	0.277	C	S	.	.			trans	-58.9	132.9	180	25.7	-35.5	0	0	0	110.8	T290 L291 M294 G326 Y327	P286-T290 HydrophobicContact CB-CG2 3.69Å; P286-L291 HydrophobicContact CB-CD2 4.08Å; P286-L291 HydrophobicContact CB-CG 3.9Å; P286-L291 HydrophobicContact CG-CD2 3.52Å; P286-L291 HydrophobicContact CG-CG 3.84Å; P286-L291 WeakPolarHBondContact O-CD1 3.36Å; P286-M294 HydrophobicContact CB-SD 4.23Å; P286-M294 HydrophobicContact CG-SD 4.25Å; P286-G326 VanDerWaalsContact CD-C 3.41Å; P286-G326 WeakPolarHBondContact CD-O 3.24Å; P286-Y327 HydrophobicContact CB-CD1 4.17Å; P286-Y327 HydrophobicContact CB-CE1 3.64Å; P286-Y327 HydrophobicContact CG-CD1 4.34Å; P286-Y327 HydrophobicContact CG-CE1 4.27Å
287	R	93.3	Very high	94.1	Very high	140 Å²	140	52.7 Å²	52.7	53%	0.528	27%	0.272	S	S	.	.			trans	-79	-179.1	174.1	-67.5	170.9	-170.7	-72.4	-12.7	110.2	D253 D284 G285 L289 T290 L291	D253-R287 HydrophobicContact CB-CB 3.98Å; D253-R287 WeakPolarHBondContact OD1-CB 3.28Å; D253-R287 VanDerWaalsContact OD2-CB 3.31Å; D253-R287 WeakPolarHBondContact OD2-CB 3.09Å; D284-R287 IonicContact OD2-NH2 2.75Å; G285-R287 PolarHBondContact O-N 3.31Å; R287-L289 PolarHBondContact O-N 3.23Å; R287-T290 PolarHBondContact O-N 2.79Å; R287-L291 WeakPolarHBondContact O-CB 3.36Å; R287-L291 WeakPolarHBondContact O-CG 3.32Å; R287-L291 PolarHBondContact O-N 2.81Å
288	E	92.9	Very high	94.4	Very high	160 Å²	160	48.2 Å²	48.2	75%	0.748	24%	0.244	S	C	*	.	H	α-helix	trans	-58.3	-45	-169.3	-172.5	174.4	-175.5	0	0	113.5	Q292	E288-Q292 WeakPolarHBondContact O-CB 3.27Å; E288-Q292 PolarHBondContact O-N 3.07Å
289	L	94.6	Very high	94.6	Very high	76 Å²	76	49.9 Å²	49.9	40%	0.398	25%	0.254	S	S	.	.	H	α-helix	trans	-68.8	-41.2	-179.7	-60.5	173.3	0	0	0	110.9	D253 I254 A257 R287 Q292 A293	D253-L289 VanDerWaalsContact OD2-CB 3.32Å; D253-L289 WeakPolarHBondContact OD2-CB 3.49Å; D253-L289 WeakPolarHBondContact OD2-CG 3.38Å; D253-L289 PolarHBondContact OD2-N 2.95Å; I254-L289 HydrophobicContact CB-CD1 4.4Å; I254-L289 HydrophobicContact CD1-CD1 4.25Å; A257-L289 HydrophobicContact CB-CB 3.85Å; R287-L289 PolarHBondContact O-N 3.23Å; L289-Q292 PolarHBondContact O-N 2.84Å; L289-A293 WeakPolarHBondContact O-CB 3.33Å; L289-A293 PolarHBondContact O-N 2.95Å
290	T	95.2	Very high	94.9	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-66.7	-43.4	179.3	-60.1	0	0	0	0	111.8	D253 E256 A257 I260 P286 R287 Q292 A293 M294 Y327	D253-T290 PolarHBondContact O-OG1 2.98Å; D253-T290 VanDerWaalsContact OD1-CB 3.3Å; D253-T290 WeakPolarHBondContact OD1-CB 3.3Å; D253-T290 PolarHBondContact OD1-N 3.36Å; D253-T290 PolarHBondContact OD1-OG1 3.02Å; E256-T290 HydrophobicContact CB-CG2 3.99Å; E256-T290 VanDerWaalsContact CB-OG1 3.29Å; E256-T290 WeakPolarHBondContact CB-OG1 3.42Å; A257-T290 PolarHBondContact N-OG1 3.27Å; I260-T290 HydrophobicContact CD1-CG2 3.71Å; P286-T290 HydrophobicContact CB-CG2 3.69Å; R287-T290 PolarHBondContact O-N 2.79Å; T290-Q292 VanDerWaalsContact C-N 3.3Å; T290-Q292 PolarHBondContact O-N 3Å; T290-A293 WeakPolarHBondContact O-CB 3.27Å; T290-A293 PolarHBondContact O-N 2.91Å; T290-M294 VanDerWaalsContact O-CG 3.31Å; T290-M294 WeakPolarHBondContact O-CG 3.3Å; T290-M294 PolarHBondContact O-N 2.96Å; T290-Y327 HydrophobicContact CG2-CE1 4.01Å
291	L	93.9	Very high	95.1	Very high	70 Å²	70	53.2 Å²	53.2	37%	0.366	27%	0.266	S	S	.	.	H	α-helix	trans	-58.5	-42.9	171.8	-79.9	171.2	0	0	0	111.7	P286 R287 M294 A295 W332	P286-L291 HydrophobicContact CB-CD2 4.08Å; P286-L291 HydrophobicContact CB-CG 3.9Å; P286-L291 HydrophobicContact CG-CD2 3.52Å; P286-L291 HydrophobicContact CG-CG 3.84Å; P286-L291 WeakPolarHBondContact O-CD1 3.36Å; R287-L291 WeakPolarHBondContact O-CB 3.36Å; R287-L291 WeakPolarHBondContact O-CG 3.32Å; R287-L291 PolarHBondContact O-N 2.81Å; L291-M294 PolarHBondContact O-N 3.08Å; L291-A295 WeakPolarHBondContact O-CB 3.1Å; L291-A295 PolarHBondContact O-N 2.94Å; L291-W332 HydrophobicContact CD2-CH2 4.47Å; L291-W332 HydrophobicContact CD2-CZ3 3.74Å; L291-W332 WeakPolarHBondContact O-CZ3 3.34Å
292	Q	94.8	Very high	95.3	Very high	112 Å²	112	50.5 Å²	50.5	52%	0.523	25%	0.253	S	S	.	.	H	α-helix	trans	-64.4	-41.8	175.8	-175.1	178.3	-8	0	0	111.6	E288 L289 T290 A295 D296	E288-Q292 WeakPolarHBondContact O-CB 3.27Å; E288-Q292 PolarHBondContact O-N 3.07Å; L289-Q292 PolarHBondContact O-N 2.84Å; T290-Q292 VanDerWaalsContact C-N 3.3Å; T290-Q292 PolarHBondContact O-N 3Å; Q292-A295 PolarHBondContact O-N 3.42Å; Q292-D296 WeakPolarHBondContact O-CB 3.46Å; Q292-D296 PolarHBondContact O-N 3.49Å
293	A	96.6	Very high	95.4	Very high	8 Å²	8	51.6 Å²	51.6	7%	0.066	27%	0.273	C	S	.	.	H	α-helix	trans	-63.2	-43.9	177	0	0	0	0	0	112	A257 I260 L289 T290 D296 G297	A257-A293 HydrophobicContact CB-CB 3.99Å; A257-A293 WeakPolarHBondContact O-CB 3.26Å; I260-A293 HydrophobicContact CG2-CB 4.32Å; L289-A293 WeakPolarHBondContact O-CB 3.33Å; L289-A293 PolarHBondContact O-N 2.95Å; T290-A293 WeakPolarHBondContact O-CB 3.27Å; T290-A293 PolarHBondContact O-N 2.91Å; A293-D296 PolarHBondContact O-N 3.04Å; A293-G297 PolarHBondContact O-N 3.48Å
294	M	96.6	Very high	95.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.3	-45.7	174.7	-67.1	175.8	83.6	0	0	111.3	I260 P286 T290 L291 D296 G297 V298 W332 T333	I260-M294 HydrophobicContact CD1-CG 3.91Å; I260-M294 HydrophobicContact CD1-SD 4.36Å; I260-M294 HydrophobicContact CG2-CB 4.49Å; I260-M294 HydrophobicContact CG2-CG 3.73Å; P286-M294 HydrophobicContact CB-SD 4.23Å; P286-M294 HydrophobicContact CG-SD 4.25Å; T290-M294 VanDerWaalsContact O-CG 3.31Å; T290-M294 WeakPolarHBondContact O-CG 3.3Å; T290-M294 PolarHBondContact O-N 2.96Å; L291-M294 PolarHBondContact O-N 3.08Å; M294-D296 PolarHBondContact O-N 2.75Å; M294-G297 PolarHBondContact O-N 2.82Å; M294-V298 PolarHBondContact O-N 3.26Å; M294-W332 HydrophobicContact CB-CD2 4.4Å; M294-W332 HydrophobicContact CB-CE3 3.55Å; M294-W332 HydrophobicContact CB-CZ3 4.05Å; M294-W332 HydrophobicContact CE-CB 4.34Å; M294-W332 HydrophobicContact CE-CE3 4.46Å; M294-W332 HydrophobicContact SD-CE3 4.39Å; M294-T333 HydrophobicContact CE-CG2 3.37Å
295	A	95.3	Very high	95.6	Very high	21 Å²	21	51.6 Å²	51.6	17%	0.174	28%	0.28	C	S	.	.	H	α-helix	trans	-61.4	-42.9	176.9	0	0	0	0	0	111.8	L291 Q292 V298 N299 W332	L291-A295 WeakPolarHBondContact O-CB 3.1Å; L291-A295 PolarHBondContact O-N 2.94Å; Q292-A295 PolarHBondContact O-N 3.42Å; A295-V298 WeakPolarHBondContact O-CG2 3.39Å; A295-N299 WeakPolarHBondContact O-CB 3.4Å; A295-N299 VanDerWaalsContact O-CG 3.28Å; A295-N299 PolarHBondContact O-N 2.77Å; A295-N299 PolarHBondContact O-ND2 2.78Å; A295-W332 HydrophobicContact CB-CH2 3.79Å; A295-W332 HydrophobicContact CB-CZ2 3.95Å; A295-W332 HydrophobicContact CB-CZ3 4.23Å
296	D	96.7	Very high	95.7	Very high	59 Å²	59	51.2 Å²	51.2	32%	0.316	28%	0.276	S	S	.	.	H	α-helix	trans	-66.9	-38.8	175.6	-88.8	-7.3	0	0	0	111.7	Q292 A293 M294 N299 K300	Q292-D296 WeakPolarHBondContact O-CB 3.46Å; Q292-D296 PolarHBondContact O-N 3.49Å; A293-D296 PolarHBondContact O-N 3.04Å; M294-D296 PolarHBondContact O-N 2.75Å; D296-N299 PolarHBondContact O-N 2.81Å; D296-K300 HydrophobicContact CB-CD 4.27Å; D296-K300 WeakPolarHBondContact O-CA 3.33Å; D296-K300 VanDerWaalsContact O-CB 3.26Å; D296-K300 WeakPolarHBondContact O-CB 3.49Å; D296-K300 PolarHBondContact O-N 3.07Å; D296-K300 WeakPolarHBondContact OD1-CE 3.32Å; D296-K300 IonicContact OD1-NZ 2.76Å; D296-K300 PolarHBondContact OD1-NZ 3.41Å; D296-K300 IonicContact OD2-NZ 2.92Å; D296-K300 PolarHBondContact OD2-NZ 2.77Å
297	G	97.1	Very high	95.9	Very high	4 Å²	4	50.4 Å²	50.4	4%	0.041	27%	0.271	C	S	.	.	H	α-helix	trans	-58.6	-51	175.6	0	0	0	0	0	112.7	A293 M294 N299 G301 G306 S307 Y309	A293-G297 PolarHBondContact O-N 3.48Å; M294-G297 PolarHBondContact O-N 2.82Å; G297-N299 VanDerWaalsContact C-N 3.28Å; G297-N299 PolarHBondContact O-N 2.87Å; G297-G301 VanDerWaalsContact O-CA 3.29Å; G297-G301 WeakPolarHBondContact O-CA 3.32Å; G297-G301 PolarHBondContact O-N 3.36Å; G297-G306 WeakPolarHBondContact O-CA 3.46Å; G297-S307 PolarHBondContact O-N 2.95Å; G297-S307 PolarHBondContact O-OG 2.88Å; G297-Y309 WeakPolarHBondContact CA-OH 3.33Å
298	V	96.5	Very high	96.2	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.018	25%	0.246	C	C	.	.	H	α-helix	trans	-70.4	-21.5	179.6	-60.6	0	0	0	0	113.9	M294 A295 G306 Y309 W332 W411	M294-V298 PolarHBondContact O-N 3.26Å; A295-V298 WeakPolarHBondContact O-CG2 3.39Å; V298-G306 WeakPolarHBondContact O-CA 3.41Å; V298-Y309 HydrophobicContact CG1-CD2 4.09Å; V298-Y309 HydrophobicContact CG1-CE2 4.02Å; V298-W332 HydrophobicContact CG1-CB 3.81Å; V298-W332 HydrophobicContact CG1-CG 4.06Å; V298-W332 HydrophobicContact CG2-CG 4.17Å; V298-W411 HydrophobicContact CB-CD2 4.11Å; V298-W411 HydrophobicContact CB-CG 4.11Å; V298-W411 HydrophobicContact CB-CZ2 4.5Å; V298-W411 HydrophobicContact CG1-CD2 4.17Å; V298-W411 HydrophobicContact CG1-CG 4.28Å; V298-W411 VanDerWaalsContact O-CD1 3.26Å; V298-W411 PolarHBondContact O-NE1 3.47Å
299	N	95.6	Very high	96.5	Very high	94 Å²	94	36.3 Å²	36.3	50%	0.503	21%	0.211	S	C	.	.	H	α-helix	trans	-96.4	-32.4	-179.3	-71.2	-47.5	0	0	0	113.6	A295 D296 G297	A295-N299 WeakPolarHBondContact O-CB 3.4Å; A295-N299 VanDerWaalsContact O-CG 3.28Å; A295-N299 PolarHBondContact O-N 2.77Å; A295-N299 PolarHBondContact O-ND2 2.78Å; D296-N299 PolarHBondContact O-N 2.81Å; G297-N299 VanDerWaalsContact C-N 3.28Å; G297-N299 PolarHBondContact O-N 2.87Å
300	K	96.3	Very high	96.6	Very high	120 Å²	120	32.7 Å²	32.7	52%	0.522	19%	0.192	S	C	.	.	H	α-helix	trans	-116.3	-24.1	-171.6	-59.6	167.8	179.4	158.2	0	112.8	Q265 D296 G304	Q265-K300 PolarHBondContact NE2-O 2.86Å; D296-K300 HydrophobicContact CB-CD 4.27Å; D296-K300 WeakPolarHBondContact O-CA 3.33Å; D296-K300 VanDerWaalsContact O-CB 3.26Å; D296-K300 WeakPolarHBondContact O-CB 3.49Å; D296-K300 PolarHBondContact O-N 3.07Å; D296-K300 WeakPolarHBondContact OD1-CE 3.32Å; D296-K300 IonicContact OD1-NZ 2.76Å; D296-K300 PolarHBondContact OD1-NZ 3.41Å; D296-K300 IonicContact OD2-NZ 2.92Å; D296-K300 PolarHBondContact OD2-NZ 2.77Å; K300-G304 PolarHBondContact O-N 3.41Å
301	G	96.9	Very high	96.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.8	154.1	179.7	0	0	0	0	0	112.7	P264 G297 G303 G304 K305 G306	P264-G301 CarbonylContact O-C 3.56Å; P264-G301 VanDerWaalsContact O-CA 3.26Å; P264-G301 WeakPolarHBondContact O-CA 3.24Å; G297-G301 VanDerWaalsContact O-CA 3.29Å; G297-G301 WeakPolarHBondContact O-CA 3.32Å; G297-G301 PolarHBondContact O-N 3.36Å; G301-G303 VanDerWaalsContact C-N 3.29Å; G301-G303 PolarHBondContact O-N 3.38Å; G301-G304 CarbonylContact O-C 3.5Å; G301-G304 PolarHBondContact O-N 3.07Å; G301-K305 PolarHBondContact O-N 3.49Å; G301-K305 VanDerWaalsContact O-N 3.16Å; G301-G306 WeakPolarHBondContact O-CA 3.39Å; G301-G306 PolarHBondContact O-N 2.81Å
302	R	97.3	Very high	96.9	Very high	22 Å²	22	29.6 Å²	29.6	8%	0.083	18%	0.177	C	C	.	.	H	α-helix	trans	51.3	44.5	177.6	-57.3	175.7	68.1	-124.1	-7.8	113.3	P264 D268 G304 K305 G306 L403 P407 L409	P264-R302 PolarHBondContact O-N 3.36Å; D268-R302 WeakPolarHBondContact O-CD 3.25Å; D268-R302 IonicContact OD1-CZ 2.68Å; D268-R302 IonicContact OD1-NE 3.16Å; D268-R302 PolarHBondContact OD1-NE 2.8Å; D268-R302 IonicContact OD1-NH2 2.92Å; R302-G304 VanDerWaalsContact C-N 3.31Å; R302-G304 PolarHBondContact O-N 3.45Å; R302-K305 HydrophobicContact CB-CB 4.1Å; R302-K305 WeakPolarHBondContact O-CB 3.36Å; R302-K305 WeakPolarHBondContact O-CG 3.18Å; R302-K305 PolarHBondContact O-N 2.76Å; R302-G306 WeakPolarHBondContact CD-O 3.43Å; R302-L403 VanDerWaalsContact NH2-CD2 3.31Å; R302-P407 PolarHBondContact NH2-O 2.85Å; R302-L409 PolarHBondContact NH1-O 2.99Å
303	G	96.1	Very high	96.8	Very high	66 Å²	66	24.2 Å²	24.2	68%	0.68	15%	0.152	S	C	*	.	H	α-helix	trans	64.9	30.2	-177.4	0	0	0	0	0	114.3	G301	G301-G303 VanDerWaalsContact C-N 3.29Å; G301-G303 PolarHBondContact O-N 3.38Å
304	G	96.3	Very high	96.5	Very high	46 Å²	46	24.2 Å²	24.2	47%	0.474	15%	0.152	S	C	.	.	H	α-helix	trans	90.9	2.6	-177.9	0	0	0	0	0	115	K300 G301 R302 G306	K300-G304 PolarHBondContact O-N 3.41Å; G301-G304 CarbonylContact O-C 3.5Å; G301-G304 PolarHBondContact O-N 3.07Å; R302-G304 VanDerWaalsContact C-N 3.31Å; R302-G304 PolarHBondContact O-N 3.45Å; G304-G306 VanDerWaalsContact C-N 3.29Å
305	K	97.1	Very high	96.2	Very high	58 Å²	58	27 Å²	27	25%	0.252	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-20.9	171.9	-62.8	171.6	-177.7	174.6	0	112.3	G301 R302 P407 N408 T410 W411	G301-K305 PolarHBondContact O-N 3.49Å; G301-K305 VanDerWaalsContact O-N 3.16Å; R302-K305 HydrophobicContact CB-CB 4.1Å; R302-K305 WeakPolarHBondContact O-CB 3.36Å; R302-K305 WeakPolarHBondContact O-CG 3.18Å; R302-K305 PolarHBondContact O-N 2.76Å; K305-P407 WeakPolarHBondContact CD-O 3.48Å; K305-P407 PolarHBondContact NZ-O 3.45Å; K305-N408 WeakPolarHBondContact CE-OD1 3.32Å; K305-N408 PolarHBondContact NZ-OD1 2.87Å; K305-T410 CarbonylContact O-C 3.46Å; K305-T410 WeakPolarHBondContact O-CA 3.19Å; K305-T410 WeakPolarHBondContact O-CB 3.49Å; K305-W411 PolarHBondContact O-N 3.25Å
306	G	97.6	Very high	95.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.164	C	C	.	.			trans	89.8	134.4	179.9	0	0	0	0	0	113.3	G297 V298 G301 R302 G304	G297-G306 WeakPolarHBondContact O-CA 3.46Å; V298-G306 WeakPolarHBondContact O-CA 3.41Å; G301-G306 WeakPolarHBondContact O-CA 3.39Å; G301-G306 PolarHBondContact O-N 2.81Å; R302-G306 WeakPolarHBondContact CD-O 3.43Å; G304-G306 VanDerWaalsContact C-N 3.29Å
307	S	98.2	Very high	95.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.151	C	C	.	.			trans	-59	141.5	169.7	-59.6	0	0	0	0	110.7	G297	G297-S307 PolarHBondContact O-N 2.95Å; G297-S307 PolarHBondContact O-OG 2.88Å
308	I	98.6	Very high	95	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	113.4	176.5	-64.2	167	0	0	0	108.2	D268 I269 Y270 V310 I334 F399 L403 W411 M414	D268-I308 PolarHBondContact O-N 3.46Å; D268-I308 VanDerWaalsContact O-N 3.12Å; I269-I308 CarbonylContact C-O 3.03Å; I269-I308 WeakPolarHBondContact CA-O 3.4Å; I269-I308 HydrophobicContact CG1-CB 4.1Å; I269-I308 HydrophobicContact CG1-CD1 4.26Å; I269-I308 HydrophobicContact CG1-CG2 4.39Å; I269-I308 HydrophobicContact CG2-CG2 4.34Å; Y270-I308 PolarHBondContact N-O 3.16Å; I308-V310 HydrophobicContact CG2-CG2 4.09Å; I308-I334 HydrophobicContact CG2-CD1 4.03Å; I308-F399 HydrophobicContact CG2-CD2 4.21Å; I308-L403 HydrophobicContact CD1-CD1 3.96Å; I308-L403 HydrophobicContact CD1-CD2 4.07Å; I308-L403 HydrophobicContact CD1-CG 4.21Å; I308-W411 HydrophobicContact CG1-CB 4.4Å; I308-M414 HydrophobicContact CD1-CB 4.15Å; I308-M414 HydrophobicContact CD1-CE 3.82Å; I308-M414 HydrophobicContact CD1-CG 4.16Å; I308-M414 HydrophobicContact CG2-CG 4.46Å
309	Y	98.5	Very high	94.6	Very high	1 Å²	1	33.3 Å²	33.3	0%	0.004	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	117.8	175.6	-61.4	-70.8	0	0	0	109.6	I260 Y270 G297 V298 T333 I334	I260-Y309 HydrophobicContact CB-CE1 4.41Å; I260-Y309 HydrophobicContact CG2-CD1 4.37Å; I260-Y309 HydrophobicContact CG2-CE1 3.54Å; I260-Y309 HydrophobicContact CG2-CE2 4.48Å; I260-Y309 WeakPolarHBondContact CG2-OH 3.36Å; I260-Y309 PolarHBondContact O-OH 3.4Å; Y270-Y309 HydrophobicContact CD1-CE1 4.31Å; Y270-Y309 AromaticContact CD2-CD1 3.98Å; Y270-Y309 HydrophobicContact CD2-CD1 3.98Å; Y270-Y309 AromaticContact CD2-CE1 3.56Å; Y270-Y309 HydrophobicContact CD2-CE1 3.56Å; Y270-Y309 HydrophobicContact CE2-CE1 4.14Å; Y270-Y309 AromaticContact CG-CD1 3.94Å; Y270-Y309 HydrophobicContact CG-CD1 3.94Å; Y270-Y309 AromaticContact CG-CE1 3.67Å; Y270-Y309 HydrophobicContact CG-CE1 3.67Å; G297-Y309 WeakPolarHBondContact CA-OH 3.33Å; V298-Y309 HydrophobicContact CG1-CD2 4.09Å; V298-Y309 HydrophobicContact CG1-CE2 4.02Å; Y309-T333 CarbonylContact O-C 3.51Å; Y309-T333 WeakPolarHBondContact O-CA 3.43Å; Y309-I334 PolarHBondContact O-N 3.27Å
310	V	98.4	Very high	94.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	128.6	176.5	-169.6	0	0	0	0	108	I269 Y270 A272 I308 I336 A392 A395 A396 F399	I269-V310 HydrophobicContact CG2-CG2 3.72Å; Y270-V310 PolarHBondContact O-N 2.88Å; A272-V310 PolarHBondContact N-O 2.69Å; I308-V310 HydrophobicContact CG2-CG2 4.09Å; V310-I336 HydrophobicContact CG1-CG1 3.83Å; V310-A392 HydrophobicContact CG1-CB 4.19Å; V310-A392 WeakPolarHBondContact CG1-O 3.24Å; V310-A395 HydrophobicContact CG1-CB 4.03Å; V310-A396 HydrophobicContact CB-CB 4.5Å; V310-A396 HydrophobicContact CG2-CB 4.19Å; V310-F399 HydrophobicContact CG1-CE2 4.19Å; V310-F399 HydrophobicContact CG2-CD2 3.55Å; V310-F399 HydrophobicContact CG2-CE2 3.68Å
311	W	97.6	Very high	94.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	137.1	-173.8	-128.3	-89.8	0	0	0	111.2	M170 I260 A272 W274 Y327 T333 I334 S335 I336	M170-W311 HydrophobicContact CE-CH2 3.81Å; M170-W311 HydrophobicContact CE-CZ3 3.77Å; I260-W311 HydrophobicContact CD1-CH2 3.94Å; I260-W311 HydrophobicContact CD1-CZ3 4.47Å; I260-W311 HydrophobicContact CG1-CH2 4.46Å; A272-W311 HydrophobicContact CB-CD2 3.81Å; A272-W311 HydrophobicContact CB-CE3 3.82Å; A272-W311 HydrophobicContact CB-CH2 3.62Å; A272-W311 HydrophobicContact CB-CZ2 3.58Å; A272-W311 HydrophobicContact CB-CZ3 3.74Å; A272-W311 VanDerWaalsContact O-CA 3.32Å; A272-W311 WeakPolarHBondContact O-CA 3.33Å; W274-W311 AromaticContact CD2-CZ2 3.9Å; W274-W311 HydrophobicContact CD2-CZ2 3.9Å; W274-W311 AromaticContact CE2-CZ2 3.73Å; W274-W311 AromaticContact CE3-CZ2 3.85Å; W274-W311 HydrophobicContact CE3-CZ2 3.85Å; W274-W311 AromaticContact CH2-CH2 3.62Å; W274-W311 HydrophobicContact CH2-CH2 3.62Å; W274-W311 AromaticContact CH2-CZ2 3.52Å; W274-W311 HydrophobicContact CH2-CZ2 3.52Å; W274-W311 AromaticContact CZ2-CH2 3.5Å; W274-W311 HydrophobicContact CZ2-CH2 3.5Å; W274-W311 AromaticContact CZ2-CZ2 3.55Å; W274-W311 HydrophobicContact CZ2-CZ2 3.55Å; W274-W311 HydrophobicContact CZ3-CH2 4.24Å; W274-W311 AromaticContact CZ3-CZ2 3.67Å; W274-W311 HydrophobicContact CZ3-CZ2 3.67Å; W274-W311 PolarHBondContact O-NE1 2.63Å; W311-Y327 HydrophobicContact CH2-CD1 4.27Å; W311-Y327 AromaticContact CZ2-CD1 3.8Å; W311-Y327 HydrophobicContact CZ2-CD1 3.8Å; W311-Y327 HydrophobicContact CZ2-CG 4.09Å; W311-T333 HydrophobicContact CB-CG2 4.5Å; W311-T333 HydrophobicContact CD2-CG2 4.18Å; W311-T333 HydrophobicContact CE3-CG2 3.68Å; W311-T333 HydrophobicContact CZ3-CG2 4.28Å; W311-I334 PolarHBondContact N-O 3.21Å; W311-S335 CarbonylContact O-C 3.55Å; W311-S335 WeakPolarHBondContact O-CA 3.45Å; W311-I336 PolarHBondContact O-N 3.41Å
312	A	96.2	Very high	94	Very high	5 Å²	5	23.7 Å²	23.7	4%	0.041	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	144.9	166.4	0	0	0	0	0	109.9	A272 T388 A392	A272-A312 PolarHBondContact O-N 3.11Å; A312-T388 WeakPolarHBondContact CB-O 3.06Å; A312-A392 HydrophobicContact CB-CB 4.08Å
313	S	92.6	Very high	94	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	15%	0.15	C	C	.	.			trans	-76.7	-16.8	-179.8	59.1	0	0	0	0	114.7	C322 I336 N337	S313-C322 WeakPolarHBondContact O-CB 3.27Å; S313-I336 PolarHBondContact N-O 2.79Å; S313-N337 WeakPolarHBondContact OG-CA 3.45Å; S313-N337 WeakPolarHBondContact OG-CB 3.24Å; S313-N337 PolarHBondContact OG-OD1 2.6Å; S313-N337 VanDerWaalsContact OG-OD1 3.11Å
314	G	91.5	Very high	94	Very high	8 Å²	8	19.6 Å²	19.6	8%	0.082	12%	0.119	C	C	.	.			trans	113.7	157	-179.3	0	0	0	0	0	113.8	E350 T388	G314-E350 VanDerWaalsContact C-OE1 3.3Å; G314-E350 WeakPolarHBondContact CA-OE1 3.22Å; G314-T388 PolarHBondContact N-OG1 3.23Å; G314-T388 VanDerWaalsContact O-CG2 3.28Å; G314-T388 WeakPolarHBondContact O-CG2 3.32Å; G314-T388 PolarHBondContact O-OG1 2.75Å
315	D	90.8	Very high	94	Very high	59 Å²	59	18 Å²	18	32%	0.316	10%	0.099	S	C	.	.	S	Bend	trans	-114.9	18	-172.6	-74.2	-21.7	0	0	0	113.7	D278 G317 Y348 E350 G387 T388	D278-D315 PolarHBondContact OD2-N 3.49Å; D315-G317 VanDerWaalsContact C-N 3.28Å; D315-G317 PolarHBondContact O-N 2.7Å; D315-Y348 CarbonylContact C-O 3.58Å; D315-Y348 WeakPolarHBondContact CA-O 3.47Å; D315-Y348 WeakPolarHBondContact OD1-CD2 3.19Å; D315-E350 PolarHBondContact N-OE1 3.18Å; D315-G387 WeakPolarHBondContact OD2-CA 3.49Å; D315-T388 WeakPolarHBondContact OD1-CB 3.36Å; D315-T388 WeakPolarHBondContact OD1-CG2 3.45Å; D315-T388 PolarHBondContact OD1-N 3.39Å; D315-T388 PolarHBondContact OD1-OG1 3.19Å
316	G	87.9	Confident	93.9	Very high	9 Å²	9	15.8 Å²	15.8	9%	0.093	9%	0.093	C	C	.	.			trans	-73.6	-12.2	-178.5	0	0	0	0	0	115.5	Y348 E350	G316-Y348 PolarHBondContact N-O 2.85Å; G316-E350 WeakPolarHBondContact CA-OE1 3.09Å; G316-E350 PolarHBondContact N-OE1 3.03Å
317	G	89.5	Confident	93.8	Very high	4 Å²	4	16.2 Å²	16.2	4%	0.041	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	60.8	-151.6	178.3	0	0	0	0	0	113.5	D315 Y319 D320 Y348 D349	D315-G317 VanDerWaalsContact C-N 3.28Å; D315-G317 PolarHBondContact O-N 2.7Å; G317-Y319 PolarHBondContact O-N 2.95Å; G317-D320 PolarHBondContact O-N 2.71Å; G317-D320 VanDerWaalsContact O-N 3.14Å; G317-Y348 VanDerWaalsContact CA-C 3.49Å; G317-Y348 WeakPolarHBondContact CA-O 3.45Å; G317-Y348 PolarHBondContact N-O 3.46Å; G317-D349 WeakPolarHBondContact CA-O 3.17Å
318	S	85.3	Confident	93.6	Very high	96 Å²	96	16.2 Å²	16.2	67%	0.671	10%	0.095	S	C	*	.	G	3₁₀ helix	trans	-64.2	-1.8	-177.8	65.9	0	0	0	0	115.9
319	Y	87.7	Confident	93.5	Very high	109 Å²	109	16.3 Å²	16.3	43%	0.427	10%	0.096	S	C	.	.	G	3₁₀ helix	trans	-97	-15.3	179.8	-56	-68.4	0	0	0	113	G280 G317 P545	G280-Y319 WeakPolarHBondContact CA-O 3.34Å; G317-Y319 PolarHBondContact O-N 2.95Å; Y319-P545 HydrophobicContact CD1-CG 4.39Å
320	D	91.3	Very high	93.3	Very high	12 Å²	12	16.8 Å²	16.8	6%	0.064	10%	0.099	C	C	.	.			trans	-119.9	175.3	-178.4	-140	-18	0	0	0	112.5	G280 G317 E350 R544	G280-D320 VanDerWaalsContact CA-CG 3.41Å; G280-D320 VanDerWaalsContact CA-OD2 3.24Å; G280-D320 WeakPolarHBondContact CA-OD2 3.42Å; G280-D320 PolarHBondContact N-OD2 3.42Å; G317-D320 PolarHBondContact O-N 2.71Å; G317-D320 VanDerWaalsContact O-N 3.14Å; D320-E350 HydrophobicContact CB-CG 4.23Å; D320-R544 WeakPolarHBondContact OD1-CD 3.35Å; D320-R544 IonicContact OD1-CZ 3.21Å; D320-R544 IonicContact OD1-NH1 3.62Å; D320-R544 PolarHBondContact OD1-NH1 3.32Å
321	D	93.2	Very high	93.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.103	C	C	.	.			trans	-146.8	116.6	177.3	-172.1	-51.1	0	0	0	109	N323 C324 L541 S542 R544	D321-N323 PolarHBondContact O-N 3.33Å; D321-N323 VanDerWaalsContact OD1-CB 3.32Å; D321-N323 WeakPolarHBondContact OD1-CB 3.46Å; D321-N323 PolarHBondContact OD1-N 3.13Å; D321-C324 VanDerWaalsContact O-CB 3.24Å; D321-C324 WeakPolarHBondContact O-CB 3.41Å; D321-C324 PolarHBondContact O-N 3.25Å; D321-L541 HydrophobicContact CB-CD1 4.3Å; D321-S542 VanDerWaalsContact OD2-CB 3.32Å; D321-S542 WeakPolarHBondContact OD2-CB 3.48Å; D321-S542 PolarHBondContact OD2-N 3.35Å; D321-S542 PolarHBondContact OD2-OG 2.92Å; D321-R544 HydrophobicContact CB-CG 4.29Å
322	C	93.4	Very high	93.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-67.4	-5.7	-173.8	44.6	0	0	0	0	115	S313 C324 D325 E350 C352	S313-C322 WeakPolarHBondContact O-CB 3.27Å; C322-C324 PolarHBondContact O-N 2.88Å; C322-D325 PolarHBondContact O-N 2.89Å; C322-E350 WeakPolarHBondContact CA-OE2 3.47Å; C322-E350 HydrophobicContact CB-CB 3.94Å; C322-E350 PolarHBondContact N-OE2 3.41Å; C322-C352 HydrophobicContact CB-CB 3.82Å; C322-C352 WeakPolarHBondContact CB-SG 3.41Å; C322-C352 WeakPolarHBondContact SG-CB 3.31Å; C322-C352 PolarHBondContact SG-N 2.83Å; C322-C352 VanDerWaalsContact SG-N 3.42Å; C322-C352 CovalentContact SG-SG 2Å; C322-C352 PolarHBondContact SG-SG 3.31Å
323	N	95.7	Very high	93.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-72.1	-8.8	164	-76.7	-34.5	0	0	0	113.3	D321 C352 S353 S354 L540 W557 F559 M560	D321-N323 PolarHBondContact O-N 3.33Å; D321-N323 VanDerWaalsContact OD1-CB 3.32Å; D321-N323 WeakPolarHBondContact OD1-CB 3.46Å; D321-N323 PolarHBondContact OD1-N 3.13Å; N323-C352 HydrophobicContact CB-CB 4.24Å; N323-C352 VanDerWaalsContact N-CB 3.32Å; N323-S353 PolarHBondContact ND2-N 3.04Å; N323-S353 PolarHBondContact ND2-OG 2.83Å; N323-S354 PolarHBondContact OD1-OG 2.87Å; N323-L540 WeakPolarHBondContact CB-O 3.47Å; N323-L540 PolarHBondContact ND2-O 3.12Å; N323-W557 PolarHBondContact O-NE1 3.18Å; N323-F559 HydrophobicContact CB-CD1 3.99Å; N323-M560 PolarHBondContact OD1-O 3.08Å
324	C	96.1	Very high	93.4	Very high	3 Å²	3	19.9 Å²	19.9	2%	0.02	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-88.7	-8	170.7	-63.2	0	0	0	0	113	V283 D284 D321 C322 R544 W557	V283-C324 WeakPolarHBondContact CA-O 3.33Å; V283-C324 HydrophobicContact CG2-CB 4.05Å; D284-C324 PolarHBondContact N-O 3.35Å; D321-C324 VanDerWaalsContact O-CB 3.24Å; D321-C324 WeakPolarHBondContact O-CB 3.41Å; D321-C324 PolarHBondContact O-N 3.25Å; C322-C324 PolarHBondContact O-N 2.88Å; C324-R544 PolarHBondContact SG-NH1 2.99Å; C324-W557 WeakPolarHBondContact O-CZ2 3.38Å
325	D	96.1	Very high	93.7	Very high	11 Å²	11	19.6 Å²	19.6	6%	0.059	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-94.2	111.2	166.7	174	11.5	0	0	0	109.7	P276 C322 Y327 A328 S329	P276-D325 WeakPolarHBondContact CD-OD1 3.2Å; P276-D325 HydrophobicContact CG-CB 4.25Å; C322-D325 PolarHBondContact O-N 2.89Å; D325-Y327 PolarHBondContact O-N 2.68Å; D325-Y327 WeakPolarHBondContact OD1-CB 3.37Å; D325-Y327 WeakPolarHBondContact OD1-CD2 3.37Å; D325-Y327 PolarHBondContact OD1-N 3.49Å; D325-A328 HydrophobicContact CB-CB 4.25Å; D325-A328 VanDerWaalsContact OD2-CB 3.24Å; D325-A328 WeakPolarHBondContact OD2-CB 3.39Å; D325-A328 PolarHBondContact OD2-N 2.92Å; D325-S329 VanDerWaalsContact O-CB 3.23Å; D325-S329 WeakPolarHBondContact O-CB 3.37Å; D325-S329 PolarHBondContact O-N 3.48Å; D325-S329 PolarHBondContact O-OG 3.18Å
326	G	95.6	Very high	93.9	Very high	12 Å²	12	16.8 Å²	16.8	12%	0.124	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-15.6	178.4	0	0	0	0	0	114.9	D284 P286 S330	D284-G326 PolarHBondContact O-N 2.63Å; P286-G326 VanDerWaalsContact CD-C 3.41Å; P286-G326 WeakPolarHBondContact CD-O 3.24Å; G326-S330 PolarHBondContact O-N 3.09Å
327	Y	95.7	Very high	94.3	Very high	9 Å²	9	16.4 Å²	16.4	4%	0.035	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-55.8	174.3	-62	-83.2	0	0	0	110.8	E256 W274 P286 T290 W311 D325 S329 S330 T333	E256-Y327 PolarHBondContact OE1-OH 3.37Å; E256-Y327 PolarHBondContact OE2-OH 3.08Å; W274-Y327 HydrophobicContact CH2-CD1 4.33Å; W274-Y327 AromaticContact CH2-CE1 3.99Å; W274-Y327 HydrophobicContact CH2-CE1 3.99Å; W274-Y327 AromaticContact CZ3-CD1 3.92Å; W274-Y327 HydrophobicContact CZ3-CD1 3.92Å; W274-Y327 AromaticContact CZ3-CE1 3.55Å; W274-Y327 HydrophobicContact CZ3-CE1 3.55Å; W274-Y327 HydrophobicContact CZ3-CE2 4.2Å; W274-Y327 HydrophobicContact CZ3-CG 4.4Å; W274-Y327 AromaticContact CZ3-CZ 3.71Å; P286-Y327 HydrophobicContact CB-CD1 4.17Å; P286-Y327 HydrophobicContact CB-CE1 3.64Å; P286-Y327 HydrophobicContact CG-CD1 4.34Å; P286-Y327 HydrophobicContact CG-CE1 4.27Å; T290-Y327 HydrophobicContact CG2-CE1 4.01Å; W311-Y327 HydrophobicContact CH2-CD1 4.27Å; W311-Y327 AromaticContact CZ2-CD1 3.8Å; W311-Y327 HydrophobicContact CZ2-CD1 3.8Å; W311-Y327 HydrophobicContact CZ2-CG 4.09Å; D325-Y327 PolarHBondContact O-N 2.68Å; D325-Y327 WeakPolarHBondContact OD1-CB 3.37Å; D325-Y327 WeakPolarHBondContact OD1-CD2 3.37Å; D325-Y327 PolarHBondContact OD1-N 3.49Å; Y327-S329 VanDerWaalsContact C-N 3.28Å; Y327-S329 PolarHBondContact O-N 3.19Å; Y327-S330 WeakPolarHBondContact O-CB 3.29Å; Y327-S330 PolarHBondContact O-N 3.42Å; Y327-T333 WeakPolarHBondContact O-CG2 3.47Å; Y327-T333 PolarHBondContact O-OG1 3.18Å
328	A	94.6	Very high	94.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-27.8	176.5	0	0	0	0	0	113.4	D325 S335	D325-A328 HydrophobicContact CB-CB 4.25Å; D325-A328 VanDerWaalsContact OD2-CB 3.24Å; D325-A328 WeakPolarHBondContact OD2-CB 3.39Å; D325-A328 PolarHBondContact OD2-N 2.92Å; A328-S335 VanDerWaalsContact O-CB 3.27Å; A328-S335 WeakPolarHBondContact O-CB 3.45Å
329	S	95.1	Very high	94.7	Very high	4 Å²	4	11.6 Å²	11.6	3%	0.028	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	4.4	176.9	68.4	0	0	0	0	115.1	D325 Y327 M560	D325-S329 VanDerWaalsContact O-CB 3.23Å; D325-S329 WeakPolarHBondContact O-CB 3.37Å; D325-S329 PolarHBondContact O-N 3.48Å; D325-S329 PolarHBondContact O-OG 3.18Å; Y327-S329 VanDerWaalsContact C-N 3.28Å; Y327-S329 PolarHBondContact O-N 3.19Å; S329-M560 VanDerWaalsContact O-CB 3.3Å; S329-M560 WeakPolarHBondContact O-CB 3.39Å; S329-M560 WeakPolarHBondContact O-CE 3.41Å
330	S	95.8	Very high	94.8	Very high	11 Å²	11	6.7 Å²	6.7	8%	0.077	4%	0.036	C	C	.	.			trans	-68.1	143.2	174.4	-176	0	0	0	0	111.6	G326 Y327 W332 T333	G326-S330 PolarHBondContact O-N 3.09Å; Y327-S330 WeakPolarHBondContact O-CB 3.29Å; Y327-S330 PolarHBondContact O-N 3.42Å; S330-W332 PolarHBondContact O-N 3.16Å; S330-W332 PolarHBondContact OG-N 3.31Å; S330-T333 PolarHBondContact O-N 3.27Å; S330-T333 PolarHBondContact O-OG1 3.06Å; S330-T333 VanDerWaalsContact O-OG1 3.13Å
331	M	94.6	Very high	94.6	Very high	15 Å²	15	6.4 Å²	6.4	7%	0.074	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-17.8	173.1	74.4	-179.2	71.1	0	0	112.8	W411 Q415 H511 Q513 H597	M331-W411 WeakPolarHBondContact O-CZ3 3.43Å; M331-Q415 PolarHBondContact O-NE2 2.89Å; M331-Q415 VanDerWaalsContact O-NE2 3.13Å; M331-H511 HydrophobicContact CB-CB 4.29Å; M331-H511 PolarHBondContact O-NE2 3.04Å; M331-Q513 VanDerWaalsContact CE-OE1 3.3Å; M331-H597 VanDerWaalsContact CE-NE2 3.32Å; M331-H597 WeakPolarHBondContact CE-NE2 3.33Å
332	W	96.3	Very high	94.2	Very high	47 Å²	47	7.4 Å²	7.4	18%	0.178	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-10.3	-176.7	-58.5	-41	0	0	0	113.1	L291 M294 A295 V298 S330	L291-W332 HydrophobicContact CD2-CH2 4.47Å; L291-W332 HydrophobicContact CD2-CZ3 3.74Å; L291-W332 WeakPolarHBondContact O-CZ3 3.34Å; M294-W332 HydrophobicContact CB-CD2 4.4Å; M294-W332 HydrophobicContact CB-CE3 3.55Å; M294-W332 HydrophobicContact CB-CZ3 4.05Å; M294-W332 HydrophobicContact CE-CB 4.34Å; M294-W332 HydrophobicContact CE-CE3 4.46Å; M294-W332 HydrophobicContact SD-CE3 4.39Å; A295-W332 HydrophobicContact CB-CH2 3.79Å; A295-W332 HydrophobicContact CB-CZ2 3.95Å; A295-W332 HydrophobicContact CB-CZ3 4.23Å; V298-W332 HydrophobicContact CG1-CB 3.81Å; V298-W332 HydrophobicContact CG1-CG 4.06Å; V298-W332 HydrophobicContact CG2-CG 4.17Å; S330-W332 PolarHBondContact O-N 3.16Å; S330-W332 PolarHBondContact OG-N 3.31Å
333	T	97.1	Very high	93.9	Very high	6 Å²	6	7.4 Å²	7.4	4%	0.037	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	150.2	176.8	57.5	0	0	0	0	110.2	M294 Y309 W311 Y327 S330	M294-T333 HydrophobicContact CE-CG2 3.37Å; Y309-T333 CarbonylContact O-C 3.51Å; Y309-T333 WeakPolarHBondContact O-CA 3.43Å; W311-T333 HydrophobicContact CB-CG2 4.5Å; W311-T333 HydrophobicContact CD2-CG2 4.18Å; W311-T333 HydrophobicContact CE3-CG2 3.68Å; W311-T333 HydrophobicContact CZ3-CG2 4.28Å; Y327-T333 WeakPolarHBondContact O-CG2 3.47Å; Y327-T333 PolarHBondContact O-OG1 3.18Å; S330-T333 PolarHBondContact O-N 3.27Å; S330-T333 PolarHBondContact O-OG1 3.06Å; S330-T333 VanDerWaalsContact O-OG1 3.13Å
334	I	98	Very high	93.6	Very high	3 Å²	3	12.1 Å²	12.1	2%	0.015	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	97.6	168.2	-51.6	-171.2	0	0	0	106.1	I308 Y309 W311 I336 L356 F399 M414 Q415	I308-I334 HydrophobicContact CG2-CD1 4.03Å; Y309-I334 PolarHBondContact O-N 3.27Å; W311-I334 PolarHBondContact N-O 3.21Å; I334-I336 HydrophobicContact CG2-CD1 3.91Å; I334-I336 HydrophobicContact CG2-CG1 4.47Å; I334-L356 HydrophobicContact CG2-CB 4.3Å; I334-L356 HydrophobicContact CG2-CD2 3.84Å; I334-F399 HydrophobicContact CB-CE2 4.25Å; I334-F399 HydrophobicContact CD1-CD2 4.44Å; I334-F399 HydrophobicContact CD1-CE2 3.84Å; I334-F399 HydrophobicContact CD1-CZ 4.08Å; I334-F399 HydrophobicContact CG2-CE2 4Å; I334-F399 HydrophobicContact CG2-CZ 3.85Å; I334-M414 HydrophobicContact CD1-CB 4.18Å; I334-M414 HydrophobicContact CD1-CG 3.88Å; I334-Q415 HydrophobicContact CD1-CG 3.77Å; I334-Q415 HydrophobicContact CG1-CG 3.73Å
335	S	97.1	Very high	93.1	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.014	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	125.1	178.5	177.3	0	0	0	0	111.1	W311 A328 L356	W311-S335 CarbonylContact O-C 3.55Å; W311-S335 WeakPolarHBondContact O-CA 3.45Å; A328-S335 VanDerWaalsContact O-CB 3.27Å; A328-S335 WeakPolarHBondContact O-CB 3.45Å; S335-L356 PolarHBondContact O-N 3.48Å
336	I	97.1	Very high	92.5	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	122.2	-174.9	-57.6	-63.7	0	0	0	109.2	V310 W311 S313 I334 A357 T359 A391 A395 F399 L452	V310-I336 HydrophobicContact CG1-CG1 3.83Å; W311-I336 PolarHBondContact O-N 3.41Å; S313-I336 PolarHBondContact N-O 2.79Å; I334-I336 HydrophobicContact CG2-CD1 3.91Å; I334-I336 HydrophobicContact CG2-CG1 4.47Å; I336-A357 WeakPolarHBondContact CA-O 3.22Å; I336-A357 HydrophobicContact CD1-CB 4.08Å; I336-T359 HydrophobicContact CG2-CG2 4.16Å; I336-T359 WeakPolarHBondContact CG2-OG1 3.31Å; I336-A391 HydrophobicContact CG2-CB 4.04Å; I336-A395 HydrophobicContact CB-CB 4.4Å; I336-A395 HydrophobicContact CD1-CB 3.81Å; I336-A395 HydrophobicContact CG1-CB 3.62Å; I336-A395 HydrophobicContact CG2-CB 4.08Å; I336-F399 HydrophobicContact CD1-CZ 4.42Å; I336-L452 HydrophobicContact CD1-CD1 4.35Å
337	N	94.5	Very high	91.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	175.1	172.1	-155.8	-7.4	0	0	0	111	S313 D349 E350 T355 A357 S358 T359 T388 L446	S313-N337 WeakPolarHBondContact OG-CA 3.45Å; S313-N337 WeakPolarHBondContact OG-CB 3.24Å; S313-N337 PolarHBondContact OG-OD1 2.6Å; S313-N337 VanDerWaalsContact OG-OD1 3.11Å; N337-D349 WeakPolarHBondContact OD1-CB 3.31Å; N337-D349 PolarHBondContact OD1-OD1 3.47Å; N337-E350 PolarHBondContact ND2-O 3.36Å; N337-T355 HydrophobicContact CB-CG2 3.7Å; N337-A357 PolarHBondContact N-O 3.49Å; N337-A357 VanDerWaalsContact N-O 3.08Å; N337-S358 WeakPolarHBondContact O-CA 3.48Å; N337-S358 VanDerWaalsContact O-CB 3.23Å; N337-S358 WeakPolarHBondContact O-CB 3.4Å; N337-T359 PolarHBondContact O-N 3.18Å; N337-T359 VanDerWaalsContact O-N 3.08Å; N337-T388 WeakPolarHBondContact OD1-CG2 3.47Å; N337-L446 VanDerWaalsContact CB-O 3.3Å; N337-L446 WeakPolarHBondContact CB-O 3.46Å; N337-L446 PolarHBondContact ND2-O 3.27Å
338	S	92.3	Very high	91.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	155.8	-178.5	92	0	0	0	0	113.8	D349 T359	S338-D349 WeakPolarHBondContact CB-OD1 3.3Å; S338-D349 VanDerWaalsContact O-OD2 3.12Å; S338-D349 PolarHBondContact OG-OD1 3.16Å; S338-D349 PolarHBondContact OG-OD2 3.25Å; S338-T359 CarbonylContact C-O 3.51Å
339	A	91.8	Very high	90.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	142.8	166.9	0	0	0	0	0	108.2	T359 F360 S361 L427 F447 V451	A339-T359 PolarHBondContact N-O 2.99Å; A339-F360 HydrophobicContact CB-CD1 4.18Å; A339-F360 HydrophobicContact CB-CE1 4.27Å; A339-F360 WeakPolarHBondContact O-CA 3.44Å; A339-F360 WeakPolarHBondContact O-CD1 3.48Å; A339-S361 PolarHBondContact O-N 3.09Å; A339-L427 HydrophobicContact CB-CD2 4.1Å; A339-F447 HydrophobicContact CB-CD1 4.29Å; A339-F447 HydrophobicContact CB-CE1 3.7Å; A339-V451 HydrophobicContact CB-CG2 3.93Å
340	I	89.8	Confident	90.5	Very high	6 Å²	6	23.2 Å²	23.2	3%	0.031	11%	0.113	C	C	.	.			trans	-89.1	166.3	178	78.1	-169.5	0	0	0	111.2	D342 G343 R344 A346 N362 R364	I340-D342 VanDerWaalsContact CD1-OD1 3.27Å; I340-D342 WeakPolarHBondContact CD1-OD1 3.43Å; I340-D342 WeakPolarHBondContact CG1-OD1 3.22Å; I340-D342 PolarHBondContact O-N 3.44Å; I340-G343 PolarHBondContact O-N 2.84Å; I340-R344 HydrophobicContact CD1-CB 3.73Å; I340-R344 HydrophobicContact CG1-CB 4.03Å; I340-R344 WeakPolarHBondContact CG1-O 3.33Å; I340-R344 PolarHBondContact N-O 2.98Å; I340-A346 HydrophobicContact CG2-CB 3.78Å; I340-N362 WeakPolarHBondContact CA-O 3.43Å; I340-N362 WeakPolarHBondContact CB-O 3.38Å; I340-N362 VanDerWaalsContact CG2-O 3.23Å; I340-N362 WeakPolarHBondContact CG2-O 3.43Å; I340-R364 HydrophobicContact CD1-CB 3.54Å; I340-R364 HydrophobicContact CD1-CG 3.75Å; I340-R364 HydrophobicContact CG1-CB 4.46Å
341	N	86.6	Confident	90.1	Very high	5 Å²	5	23.4 Å²	23.4	3%	0.027	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-18.3	-174.2	70.3	-31	0	0	0	116.5	W134 A142 G144 T145 G363 R364	W134-N341 HydrophobicContact CD2-CB 3.88Å; W134-N341 HydrophobicContact CE3-CB 3.71Å; W134-N341 VanDerWaalsContact CH2-CA 3.43Å; W134-N341 HydrophobicContact CH2-CB 3.53Å; W134-N341 HydrophobicContact CZ2-CB 3.7Å; W134-N341 HydrophobicContact CZ3-CB 3.56Å; A142-N341 PolarHBondContact O-ND2 3.21Å; G144-N341 CarbonylContact C-O 3.48Å; G144-N341 VanDerWaalsContact CA-O 3.22Å; G144-N341 WeakPolarHBondContact CA-O 3.28Å; G144-N341 PolarHBondContact N-ND2 2.97Å; T145-N341 PolarHBondContact N-O 2.87Å; N341-G363 WeakPolarHBondContact OD1-CA 3.43Å; N341-R364 PolarHBondContact OD1-N 3.1Å
342	D	85.6	Confident	89.8	Confident	22 Å²	22	22.7 Å²	22.7	12%	0.118	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	6	174.4	82.5	-15.3	0	0	0	114.3	I340 R344 R364	I340-D342 VanDerWaalsContact CD1-OD1 3.27Å; I340-D342 WeakPolarHBondContact CD1-OD1 3.43Å; I340-D342 WeakPolarHBondContact CG1-OD1 3.22Å; I340-D342 PolarHBondContact O-N 3.44Å; D342-R344 WeakPolarHBondContact OD1-CB 3.42Å; D342-R344 WeakPolarHBondContact OD1-CD 3.32Å; D342-R344 WeakPolarHBondContact OD1-CG 3.2Å; D342-R344 PolarHBondContact OD1-N 3.48Å; D342-R344 WeakPolarHBondContact OD2-CD 3.38Å; D342-R344 IonicContact OD2-NE 3.65Å; D342-R344 PolarHBondContact OD2-NE 3.01Å; D342-R364 WeakPolarHBondContact OD2-CD 3.43Å; D342-R364 IonicContact OD2-CZ 3.13Å; D342-R364 IonicContact OD2-NE 3.57Å; D342-R364 IonicContact OD2-NH1 3.57Å; D342-R364 PolarHBondContact OD2-NH1 3.16Å
343	G	87.3	Confident	89.8	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	85.4	8.9	175.1	0	0	0	0	0	115.4	L148 I340 Q426 L427 H428	L148-G343 VanDerWaalsContact CD2-N 3.27Å; I340-G343 PolarHBondContact O-N 2.84Å; G343-Q426 WeakPolarHBondContact CA-O 3.3Å; G343-L427 CarbonylContact O-C 3.6Å; G343-L427 VanDerWaalsContact O-CA 3.25Å; G343-L427 WeakPolarHBondContact O-CA 3.44Å; G343-H428 PolarHBondContact O-N 3.39Å
344	R	88.4	Confident	89.7	Confident	99 Å²	99	20.3 Å²	20.3	37%	0.374	10%	0.101	S	C	.	.	S	Bend	trans	-88.6	173.3	170.4	-60.6	169.5	-179.1	-113.4	-9.6	110.7	I340 D342 H428	I340-R344 HydrophobicContact CD1-CB 3.73Å; I340-R344 HydrophobicContact CG1-CB 4.03Å; I340-R344 WeakPolarHBondContact CG1-O 3.33Å; I340-R344 PolarHBondContact N-O 2.98Å; D342-R344 WeakPolarHBondContact OD1-CB 3.42Å; D342-R344 WeakPolarHBondContact OD1-CD 3.32Å; D342-R344 WeakPolarHBondContact OD1-CG 3.2Å; D342-R344 PolarHBondContact OD1-N 3.48Å; D342-R344 WeakPolarHBondContact OD2-CD 3.38Å; D342-R344 IonicContact OD2-NE 3.65Å; D342-R344 PolarHBondContact OD2-NE 3.01Å; R344-H428 HydrophobicContact CG-CB 4.23Å
345	T	84.9	Confident	89.6	Confident	40 Å²	40	20.1 Å²	20.1	25%	0.245	10%	0.101	C	C	.	.	P	Polyproline II helix	trans	-80.5	151.1	171.4	59.9	0	0	0	0	110.4	L446 F447	T345-L446 HydrophobicContact CG2-CB 3.83Å; T345-L446 HydrophobicContact CG2-CD1 3.71Å; T345-L446 HydrophobicContact CG2-CG 4.24Å; T345-F447 HydrophobicContact CG2-CD1 4.45Å; T345-F447 HydrophobicContact CG2-CD2 4.35Å; T345-F447 HydrophobicContact CG2-CE1 3.67Å; T345-F447 HydrophobicContact CG2-CE2 3.56Å; T345-F447 HydrophobicContact CG2-CZ 3.19Å
346	A	84.5	Confident	89.6	Confident	8 Å²	8	20.2 Å²	20.2	7%	0.066	10%	0.101	C	C	.	.	P	Polyproline II helix	trans	-73.1	160.8	168.8	0	0	0	0	0	110.5	I340 Y348 D349	I340-A346 HydrophobicContact CG2-CB 3.78Å; A346-Y348 VanDerWaalsContact C-N 3.27Å; A346-Y348 HydrophobicContact CB-CD1 4.14Å; A346-Y348 HydrophobicContact CB-CD2 3.92Å; A346-Y348 HydrophobicContact CB-CE1 3.75Å; A346-Y348 HydrophobicContact CB-CE2 3.47Å; A346-Y348 VanDerWaalsContact CB-CE2 3.47Å; A346-Y348 HydrophobicContact CB-CG 4.22Å; A346-Y348 PolarHBondContact O-N 3.35Å; A346-D349 PolarHBondContact N-OD2 3.21Å; A346-D349 PolarHBondContact O-N 3.11Å
347	L	84.1	Confident	89.6	Confident	172 Å²	172	20.2 Å²	20.2	90%	0.901	10%	0.101	S	C	*	.	S	Bend	trans	-72.9	-23.2	-179	-71.2	171.8	0	0	0	113.2
348	Y	83.3	Confident	89.7	Confident	40 Å²	40	20.2 Å²	20.2	16%	0.157	10%	0.101	C	C	.	.	S	Bend	trans	-91.7	-10	179.8	51.2	-110.1	0	0	0	112.5	D315 G316 G317 A346 E350 S361 N362 G387 T388	D315-Y348 CarbonylContact C-O 3.58Å; D315-Y348 WeakPolarHBondContact CA-O 3.47Å; D315-Y348 WeakPolarHBondContact OD1-CD2 3.19Å; G316-Y348 PolarHBondContact N-O 2.85Å; G317-Y348 VanDerWaalsContact CA-C 3.49Å; G317-Y348 WeakPolarHBondContact CA-O 3.45Å; G317-Y348 PolarHBondContact N-O 3.46Å; A346-Y348 VanDerWaalsContact C-N 3.27Å; A346-Y348 HydrophobicContact CB-CD1 4.14Å; A346-Y348 HydrophobicContact CB-CD2 3.92Å; A346-Y348 HydrophobicContact CB-CE1 3.75Å; A346-Y348 HydrophobicContact CB-CE2 3.47Å; A346-Y348 VanDerWaalsContact CB-CE2 3.47Å; A346-Y348 HydrophobicContact CB-CG 4.22Å; A346-Y348 PolarHBondContact O-N 3.35Å; Y348-E350 PolarHBondContact O-N 3.42Å; Y348-S361 WeakPolarHBondContact OH-CB 3.37Å; Y348-S361 PolarHBondContact OH-OG 3.39Å; Y348-N362 VanDerWaalsContact OH-CG 3.27Å; Y348-N362 PolarHBondContact OH-OD1 3.24Å; Y348-G387 PolarHBondContact OH-N 2.79Å; Y348-G387 VanDerWaalsContact OH-N 3.14Å; Y348-T388 HydrophobicContact CD2-CG2 4.34Å; Y348-T388 HydrophobicContact CE2-CG2 4.26Å
349	D	84.3	Confident	89.8	Confident	8 Å²	8	20.2 Å²	20.2	4%	0.043	10%	0.101	C	C	.	.	P	Polyproline II helix	trans	-61.2	130.6	-178.6	-69.4	-19.5	0	0	0	111.2	G317 N337 S338 A346 L446	G317-D349 WeakPolarHBondContact CA-O 3.17Å; N337-D349 WeakPolarHBondContact OD1-CB 3.31Å; N337-D349 PolarHBondContact OD1-OD1 3.47Å; S338-D349 WeakPolarHBondContact CB-OD1 3.3Å; S338-D349 VanDerWaalsContact O-OD2 3.12Å; S338-D349 PolarHBondContact OG-OD1 3.16Å; S338-D349 PolarHBondContact OG-OD2 3.25Å; A346-D349 PolarHBondContact N-OD2 3.21Å; A346-D349 PolarHBondContact O-N 3.11Å; D349-L446 HydrophobicContact CB-CD2 4.25Å
350	E	87.8	Confident	89.9	Confident	4 Å²	4	20.2 Å²	20.2	2%	0.019	10%	0.101	C	C	.	.	P	Polyproline II helix	trans	-85.2	144.3	170	-67	-174.2	-145.4	0	0	111.2	G314 D315 G316 D320 C322 N337 Y348	G314-E350 VanDerWaalsContact C-OE1 3.3Å; G314-E350 WeakPolarHBondContact CA-OE1 3.22Å; D315-E350 PolarHBondContact N-OE1 3.18Å; G316-E350 WeakPolarHBondContact CA-OE1 3.09Å; G316-E350 PolarHBondContact N-OE1 3.03Å; D320-E350 HydrophobicContact CB-CG 4.23Å; C322-E350 WeakPolarHBondContact CA-OE2 3.47Å; C322-E350 HydrophobicContact CB-CB 3.94Å; C322-E350 PolarHBondContact N-OE2 3.41Å; N337-E350 PolarHBondContact ND2-O 3.36Å; Y348-E350 PolarHBondContact O-N 3.42Å
351	S	87.8	Confident	89.9	Confident	14 Å²	14	20 Å²	20	10%	0.098	10%	0.099	C	C	.	.	P	Polyproline II helix	trans	-101.7	126.7	174.7	70.2	0	0	0	0	109.8	H445	S351-H445 VanDerWaalsContact CB-CD2 3.48Å; S351-H445 WeakPolarHBondContact CB-CD2 3.37Å
352	C	88.4	Confident	89.8	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.109	C	C	.	.			trans	-153.8	163.2	170.3	57.3	0	0	0	0	111.5	C322 N323 S354 T355 H445	C322-C352 HydrophobicContact CB-CB 3.82Å; C322-C352 WeakPolarHBondContact CB-SG 3.41Å; C322-C352 WeakPolarHBondContact SG-CB 3.31Å; C322-C352 PolarHBondContact SG-N 2.83Å; C322-C352 VanDerWaalsContact SG-N 3.42Å; C322-C352 CovalentContact SG-SG 2Å; C322-C352 PolarHBondContact SG-SG 3.31Å; N323-C352 HydrophobicContact CB-CB 4.24Å; N323-C352 VanDerWaalsContact N-CB 3.32Å; C352-S354 VanDerWaalsContact C-N 3.28Å; C352-S354 PolarHBondContact SG-OG 3.27Å; C352-T355 PolarHBondContact SG-OG1 3.34Å; C352-H445 WeakPolarHBondContact CA-CE1 3.47Å; C352-H445 PolarHBondContact N-O 3.04Å; C352-H445 PolarHBondContact O-ND1 3.07Å; C352-H445 VanDerWaalsContact O-ND1 3.14Å; C352-H445 VanDerWaalsContact O-O 3.05Å
353	S	95.5	Very high	89.2	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-83.8	-6.8	-177	54	0	0	0	0	113.5	N323 H445 I539 M560 T561 T562	N323-S353 PolarHBondContact ND2-N 3.04Å; N323-S353 PolarHBondContact ND2-OG 2.83Å; S353-H445 PolarHBondContact N-CE1 3.43Å; S353-H445 PolarHBondContact N-ND1 2.9Å; S353-I539 WeakPolarHBondContact CB-O 3.36Å; S353-I539 PolarHBondContact OG-O 2.93Å; S353-M560 PolarHBondContact OG-O 3.16Å; S353-T561 WeakPolarHBondContact CB-OG1 3.45Å; S353-T561 CarbonylContact O-C 3.57Å; S353-T561 VanDerWaalsContact O-CA 3.26Å; S353-T561 WeakPolarHBondContact O-CA 3.38Å; S353-T562 PolarHBondContact O-N 2.75Å; S353-T562 PolarHBondContact O-OG1 3Å
354	S	95.4	Very high	88.3	Confident	3 Å²	3	27.8 Å²	27.8	2%	0.021	13%	0.133	C	C	.	.	S	Bend	trans	-83.3	-26.1	176.3	53.1	0	0	0	0	113.7	N323 C352 L356 T562	N323-S354 PolarHBondContact OD1-OG 2.87Å; C352-S354 VanDerWaalsContact C-N 3.28Å; C352-S354 PolarHBondContact SG-OG 3.27Å; S354-L356 PolarHBondContact O-N 2.95Å; S354-T562 WeakPolarHBondContact O-CG2 3.41Å
355	T	96	Very high	86.9	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.14	C	C	.	.			trans	-54.4	124.8	179	-58.2	0	0	0	0	111.3	N337 C352 A357 G448 T562	N337-T355 HydrophobicContact CB-CG2 3.7Å; C352-T355 PolarHBondContact SG-OG1 3.34Å; T355-A357 WeakPolarHBondContact CG2-O 3.24Å; T355-G448 WeakPolarHBondContact O-CA 3.41Å; T355-T562 PolarHBondContact O-OG1 3.12Å
356	L	96.9	Very high	85.8	Confident	4 Å²	4	38.9 Å²	38.9	2%	0.021	17%	0.173	C	C	.	.			trans	-91.9	-42	-177.1	-163.1	70.5	0	0	0	111.9	I334 S335 S354 Q415 V419 Y449 T562 W565	I334-L356 HydrophobicContact CG2-CB 4.3Å; I334-L356 HydrophobicContact CG2-CD2 3.84Å; S335-L356 PolarHBondContact O-N 3.48Å; S354-L356 PolarHBondContact O-N 2.95Å; L356-Q415 HydrophobicContact CD2-CB 3.83Å; L356-Q415 HydrophobicContact CD2-CG 3.95Å; L356-V419 HydrophobicContact CD1-CG2 3.56Å; L356-V419 HydrophobicContact CD2-CG2 4.46Å; L356-V419 HydrophobicContact CG-CG2 4.1Å; L356-Y449 HydrophobicContact CD1-CD2 4.26Å; L356-Y449 HydrophobicContact CD1-CE2 4.3Å; L356-Y449 WeakPolarHBondContact O-CD2 3.45Å; L356-Y449 PolarHBondContact O-N 3.15Å; L356-T562 HydrophobicContact CD1-CG2 3.94Å; L356-W565 HydrophobicContact CD1-CE3 4.25Å; L356-W565 HydrophobicContact CD1-CZ3 4.04Å
357	A	96.7	Very high	85.2	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	179.9	-176.6	0	0	0	0	0	111	I336 N337 T355 G450 L452	I336-A357 WeakPolarHBondContact CA-O 3.22Å; I336-A357 HydrophobicContact CD1-CB 4.08Å; N337-A357 PolarHBondContact N-O 3.49Å; N337-A357 VanDerWaalsContact N-O 3.08Å; T355-A357 WeakPolarHBondContact CG2-O 3.24Å; A357-G450 WeakPolarHBondContact CA-O 3.31Å; A357-L452 HydrophobicContact CB-CD2 3.71Å; A357-L452 HydrophobicContact CB-CG 4.08Å
358	S	95.9	Very high	84.6	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	162.3	171.3	-58.3	0	0	0	0	112.3	N337 F447 G450 V451 L452	N337-S358 WeakPolarHBondContact O-CA 3.48Å; N337-S358 VanDerWaalsContact O-CB 3.23Å; N337-S358 WeakPolarHBondContact O-CB 3.4Å; S358-F447 VanDerWaalsContact OG-CA 3.27Å; S358-F447 WeakPolarHBondContact OG-CA 3.24Å; S358-F447 PolarHBondContact OG-O 3.3Å; S358-G450 PolarHBondContact N-O 3.32Å; S358-V451 CarbonylContact O-C 3.49Å; S358-V451 WeakPolarHBondContact O-CA 3.47Å; S358-L452 PolarHBondContact O-N 2.84Å
359	T	95.2	Very high	84.4	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	-159.7	166.4	52	0	0	0	0	107.8	L150 I336 N337 S338 A339 A391 E394 A395 L452	L150-T359 HydrophobicContact CD2-CG2 3.8Å; I336-T359 HydrophobicContact CG2-CG2 4.16Å; I336-T359 WeakPolarHBondContact CG2-OG1 3.31Å; N337-T359 PolarHBondContact O-N 3.18Å; N337-T359 VanDerWaalsContact O-N 3.08Å; S338-T359 CarbonylContact C-O 3.51Å; A339-T359 PolarHBondContact N-O 2.99Å; T359-A391 WeakPolarHBondContact OG1-CA 3.19Å; T359-A391 WeakPolarHBondContact OG1-CB 3.22Å; T359-A391 PolarHBondContact OG1-O 2.75Å; T359-E394 WeakPolarHBondContact CB-OE2 3.43Å; T359-E394 HydrophobicContact CG2-CB 4.23Å; T359-A395 HydrophobicContact CG2-CB 3.82Å; T359-L452 HydrophobicContact CG2-CB 4.16Å; T359-L452 HydrophobicContact CG2-CD1 3.68Å; T359-L452 HydrophobicContact CG2-CG 4.03Å
360	F	93.4	Very high	84.3	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	164.8	-176	-60.7	-72.9	0	0	0	112.1	W134 L148 L150 A339 A391 E394 V451	W134-F360 HydrophobicContact CH2-CB 3.55Å; W134-F360 AromaticContact CH2-CD1 3.68Å; W134-F360 HydrophobicContact CH2-CD1 3.68Å; W134-F360 AromaticContact CH2-CG 3.85Å; W134-F360 HydrophobicContact CH2-CG 3.85Å; W134-F360 HydrophobicContact CZ2-CB 4.35Å; W134-F360 HydrophobicContact CZ3-CB 3.81Å; W134-F360 AromaticContact CZ3-CD1 3.39Å; W134-F360 HydrophobicContact CZ3-CD1 3.39Å; W134-F360 HydrophobicContact CZ3-CD2 4.48Å; W134-F360 HydrophobicContact CZ3-CE1 4.08Å; W134-F360 AromaticContact CZ3-CG 3.62Å; W134-F360 HydrophobicContact CZ3-CG 3.62Å; L148-F360 HydrophobicContact CD1-CE1 3.98Å; L148-F360 HydrophobicContact CD1-CZ 3.91Å; L148-F360 HydrophobicContact CD2-CE1 4.21Å; L148-F360 HydrophobicContact CG-CE1 3.68Å; L148-F360 HydrophobicContact CG-CZ 3.84Å; L150-F360 HydrophobicContact CD2-CD2 3.89Å; L150-F360 HydrophobicContact CD2-CE2 3.92Å; L150-F360 HydrophobicContact CG-CD2 3.86Å; L150-F360 HydrophobicContact CG-CE2 3.99Å; A339-F360 HydrophobicContact CB-CD1 4.18Å; A339-F360 HydrophobicContact CB-CE1 4.27Å; A339-F360 WeakPolarHBondContact O-CA 3.44Å; A339-F360 WeakPolarHBondContact O-CD1 3.48Å; F360-A391 WeakPolarHBondContact O-CA 3.19Å; F360-E394 WeakPolarHBondContact CA-OE2 3.31Å; F360-E394 WeakPolarHBondContact CB-OE2 3.41Å; F360-E394 PolarHBondContact N-OE2 2.81Å; F360-V451 HydrophobicContact CE1-CG1 4.46Å; F360-V451 HydrophobicContact CE1-CG2 4.4Å; F360-V451 HydrophobicContact CE2-CG1 3.63Å; F360-V451 HydrophobicContact CZ-CG1 3.64Å; F360-V451 HydrophobicContact CZ-CG2 4.31Å
361	S	89.4	Confident	84.2	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.174	C	C	.	.			trans	-149.8	-106.9	173.3	-178.8	0	0	0	0	109.4	W134 A339 Y348 V372 S386 G387	W134-S361 VanDerWaalsContact CZ2-O 3.3Å; W134-S361 WeakPolarHBondContact CZ2-O 3.45Å; A339-S361 PolarHBondContact O-N 3.09Å; Y348-S361 WeakPolarHBondContact OH-CB 3.37Å; Y348-S361 PolarHBondContact OH-OG 3.39Å; S361-V372 WeakPolarHBondContact O-CG2 3.4Å; S361-S386 WeakPolarHBondContact OG-CA 3.45Å; S361-G387 VanDerWaalsContact CB-O 3.31Å; S361-G387 WeakPolarHBondContact CB-O 3.49Å; S361-G387 PolarHBondContact OG-N 2.9Å; S361-G387 PolarHBondContact OG-O 3.44Å
362	N	84.2	Confident	84.4	Confident	42 Å²	42	37 Å²	37	23%	0.225	17%	0.17	C	C	.	.			trans	-95.6	171	-180	74.8	-21.1	0	0	0	113.4	I340 Y348 A370	I340-N362 WeakPolarHBondContact CA-O 3.43Å; I340-N362 WeakPolarHBondContact CB-O 3.38Å; I340-N362 VanDerWaalsContact CG2-O 3.23Å; I340-N362 WeakPolarHBondContact CG2-O 3.43Å; Y348-N362 VanDerWaalsContact OH-CG 3.27Å; Y348-N362 PolarHBondContact OH-OD1 3.24Å; N362-A370 CarbonylContact C-O 3.58Å
363	G	74.6	Confident	84.7	Confident	8 Å²	8	37 Å²	37	8%	0.082	17%	0.17	C	C	.	.			trans	-98.5	163.6	174.8	0	0	0	0	0	114.3	N341 K365 A370	N341-G363 WeakPolarHBondContact OD1-CA 3.43Å; G363-K365 VanDerWaalsContact C-N 3.31Å; G363-K365 PolarHBondContact O-N 3.36Å; G363-A370 PolarHBondContact N-O 2.92Å
364	R	66.6	Low	84.7	Confident	141 Å²	141	37.2 Å²	37.2	53%	0.532	17%	0.171	S	C	.	.	S	Bend	trans	-63.1	-29.8	-174.4	-158.7	177.8	85	-168.5	12	115.2	I340 N341 D342	I340-R364 HydrophobicContact CD1-CB 3.54Å; I340-R364 HydrophobicContact CD1-CG 3.75Å; I340-R364 HydrophobicContact CG1-CB 4.46Å; N341-R364 PolarHBondContact OD1-N 3.1Å; D342-R364 WeakPolarHBondContact OD2-CD 3.43Å; D342-R364 IonicContact OD2-CZ 3.13Å; D342-R364 IonicContact OD2-NE 3.57Å; D342-R364 IonicContact OD2-NH1 3.57Å; D342-R364 PolarHBondContact OD2-NH1 3.16Å
365	K	60.5	Low	84.8	Confident	120 Å²	120	37 Å²	37	52%	0.522	17%	0.17	S	C	.	.	S	Bend	trans	-106.7	161.6	-174.6	-69.1	-174.7	-165.9	158.6	0	110.3	D143 G363 N367	D143-K365 WeakPolarHBondContact OD2-CD 3.41Å; D143-K365 IonicContact OD2-NZ 3.49Å; D143-K365 PolarHBondContact OD2-NZ 3.25Å; G363-K365 VanDerWaalsContact C-N 3.31Å; G363-K365 PolarHBondContact O-N 3.36Å; K365-N367 HydrophobicContact CB-CB 4.42Å; K365-N367 PolarHBondContact O-N 2.89Å
366	R	60.9	Low	84.7	Confident	252 Å²	252	38.2 Å²	38.2	95%	0.951	18%	0.176	S	C	*	.	S	Bend	trans	-63.8	32.9	160.6	-63	-176.9	179	-177.3	-1.2	112.5	P368	R366-P368 WeakPolarHBondContact O-CD 3.36Å
367	N	71.7	Confident	84.4	Confident	42 Å²	42	38 Å²	38	23%	0.225	18%	0.175	C	C	.	.			trans	-71.9	111.1	166.2	-173.5	-13.6	0	0	0	106	A142 K365 E369 A370	A142-N367 WeakPolarHBondContact CA-ND2 3.32Å; K365-N367 HydrophobicContact CB-CB 4.42Å; K365-N367 PolarHBondContact O-N 2.89Å; N367-E369 PolarHBondContact O-N 2.72Å; N367-E369 PolarHBondContact OD1-N 3.38Å; N367-E369 VanDerWaalsContact OD1-N 3.13Å; N367-A370 HydrophobicContact CB-CB 4.03Å; N367-A370 PolarHBondContact O-N 2.89Å
368	P	71.5	Confident	83.9	Confident	80 Å²	80	43.9 Å²	43.9	52%	0.519	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-13.2	-176.3	-19.2	34.1	0	0	0	113.1	R366	R366-P368 WeakPolarHBondContact O-CD 3.36Å
369	E	79.1	Confident	83.5	Confident	74 Å²	74	45.3 Å²	45.3	35%	0.346	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-0.5	178	-53.3	-166.6	153.6	0	0	113.6	K132 A142 N367	K132-E369 WeakPolarHBondContact CE-OE1 3.26Å; K132-E369 IonicContact NZ-OE1 2.76Å; K132-E369 PolarHBondContact NZ-OE1 2.87Å; K132-E369 IonicContact NZ-OE2 2.82Å; K132-E369 PolarHBondContact NZ-OE2 3.5Å; A142-E369 HydrophobicContact CB-CB 4.34Å; N367-E369 PolarHBondContact O-N 2.72Å; N367-E369 PolarHBondContact OD1-N 3.38Å; N367-E369 VanDerWaalsContact OD1-N 3.13Å
370	A	82.4	Confident	83.4	Confident	2 Å²	2	49.5 Å²	49.5	2%	0.017	24%	0.235	C	C	.	.	S	Bend	trans	-97.6	3.4	-179.4	0	0	0	0	0	113.6	W134 A142 N362 G363 N367	W134-A370 PolarHBondContact NE1-O 2.9Å; A142-A370 HydrophobicContact CB-CB 3.9Å; N362-A370 CarbonylContact C-O 3.58Å; G363-A370 PolarHBondContact N-O 2.92Å; N367-A370 HydrophobicContact CB-CB 4.03Å; N367-A370 PolarHBondContact O-N 2.89Å
371	G	86.2	Confident	83.4	Confident	10 Å²	10	52.2 Å²	52.2	10%	0.103	25%	0.253	C	S	.	.	S	Bend	trans	-79.1	177.9	169.2	0	0	0	0	0	111.7	W134 A373 L383	W134-G371 PolarHBondContact NE1-O 3.15Å; G371-A373 PolarHBondContact O-N 3.49Å; G371-L383 CarbonylContact C-O 3.6Å; G371-L383 WeakPolarHBondContact CA-O 3.42Å
372	V	92.1	Very high	83.6	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	121.2	173.2	-179.5	0	0	0	0	109	Y135 E220 S361 L383 H385 A390	Y135-V372 HydrophobicContact CD1-CG1 4.28Å; Y135-V372 HydrophobicContact CE1-CB 4.3Å; Y135-V372 HydrophobicContact CE1-CG1 3.56Å; E220-V372 HydrophobicContact CG-CG1 3.74Å; E220-V372 WeakPolarHBondContact OE2-CG1 3.37Å; S361-V372 WeakPolarHBondContact O-CG2 3.4Å; V372-L383 CarbonylContact O-C 3.27Å; V372-H385 HydrophobicContact CB-CB 4.12Å; V372-H385 PolarHBondContact N-O 3.19Å; V372-H385 PolarHBondContact O-N 3.49Å; V372-A390 HydrophobicContact CB-CB 4.38Å; V372-A390 HydrophobicContact CG2-CB 3.78Å
373	A	94.4	Very high	83.9	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	120.7	172.7	0	0	0	0	0	110.4	L129 K132 Q133 Y135 G371 T382 L383	L129-A373 HydrophobicContact CB-CB 4.39Å; L129-A373 HydrophobicContact CD1-CB 4.48Å; K132-A373 HydrophobicContact CB-CB 4.45Å; Q133-A373 HydrophobicContact CG-CB 3.71Å; Q133-A373 PolarHBondContact NE2-O 3.26Å; Y135-A373 PolarHBondContact OH-O 3.09Å; G371-A373 PolarHBondContact O-N 3.49Å; A373-T382 CarbonylContact C-O 3.52Å; A373-T382 VanDerWaalsContact CA-O 3.26Å; A373-T382 WeakPolarHBondContact CA-O 3.08Å; A373-L383 HydrophobicContact CB-CD2 3.36Å
374	T	96.3	Very high	84.5	Confident	3 Å²	3	61.7 Å²	61.7	2%	0.018	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	-179.4	-177	-171.8	0	0	0	0	111.6	R216 G219 E220 C381 T382 H385	R216-T374 HydrophobicContact CB-CG2 3.71Å; R216-T374 HydrophobicContact CG-CG2 3.99Å; R216-T374 WeakPolarHBondContact O-CG2 3.38Å; R216-T374 PolarHBondContact O-OG1 3.29Å; G219-T374 VanDerWaalsContact C-OG1 3.27Å; G219-T374 VanDerWaalsContact CA-OG1 3.3Å; G219-T374 WeakPolarHBondContact CA-OG1 2.9Å; E220-T374 HydrophobicContact CG-CG2 4.31Å; E220-T374 PolarHBondContact N-OG1 3Å; E220-T374 VanDerWaalsContact N-OG1 3.12Å; T374-C381 WeakPolarHBondContact O-CA 3.31Å; T374-T382 HydrophobicContact CG2-CG2 3.79Å; T374-T382 PolarHBondContact N-O 2.81Å; T374-T382 PolarHBondContact O-N 2Å; T374-H385 HydrophobicContact CG2-CB 3.92Å
375	T	96.1	Very high	85.7	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	154.1	174	52	0	0	0	0	111.8	H178 D180 L181 T215 R216 G219 A223	H178-T375 WeakPolarHBondContact CE1-CG2 3.31Å; D180-T375 HydrophobicContact CB-CG2 3.73Å; D180-T375 WeakPolarHBondContact OD2-CG2 3.48Å; L181-T375 HydrophobicContact CG-CG2 4.34Å; T215-T375 PolarHBondContact O-OG1 2.7Å; R216-T375 WeakPolarHBondContact CA-O 3.42Å; R216-T375 WeakPolarHBondContact CG-O 2.97Å; G219-T375 WeakPolarHBondContact CA-OG1 3.43Å; G219-T375 PolarHBondContact N-OG1 2.83Å; A223-T375 HydrophobicContact CB-CG2 4.34Å
376	D	94.2	Very high	87	Confident	24 Å²	24	52.2 Å²	52.2	13%	0.128	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	168.4	176.3	-155.2	4.1	0	0	0	109.7	H178 S212 R216 N380 T382	H178-D376 PolarHBondContact CD2-O 3.45Å; H178-D376 PolarHBondContact NE2-O 3.12Å; S212-D376 WeakPolarHBondContact CB-OD1 3.37Å; R216-D376 IonicContact CZ-OD1 3.58Å; R216-D376 IonicContact CZ-OD2 2.85Å; R216-D376 IonicContact NE-OD1 3.74Å; R216-D376 PolarHBondContact NE-OD1 3.28Å; R216-D376 IonicContact NE-OD2 2.97Å; R216-D376 IonicContact NH2-OD1 2.77Å; R216-D376 PolarHBondContact NH2-OD1 2.82Å; R216-D376 VanDerWaalsContact NH2-OD1 3.09Å; R216-D376 IonicContact NH2-OD2 2.62Å; R216-D376 PolarHBondContact NH2-OD2 2.92Å; D376-N380 WeakPolarHBondContact CA-O 3.35Å; D376-N380 HydrophobicContact CB-CB 4.23Å; D376-N380 PolarHBondContact N-O 3.31Å; D376-N380 PolarHBondContact O-N 3.14Å; D376-N380 VanDerWaalsContact O-O 3.12Å; D376-T382 HydrophobicContact CB-CG2 4.18Å
377	L	91	Very high	88.3	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-58.7	155.5	-178	-65.3	178.2	0	0	0	113.1	D175 P202 N210 T215 G379 N380	D175-L377 HydrophobicContact CB-CD2 3.98Å; P202-L377 HydrophobicContact CB-CD2 3.96Å; P202-L377 HydrophobicContact CG-CD2 3.75Å; N210-L377 WeakPolarHBondContact OD1-CD1 3.44Å; T215-L377 HydrophobicContact CG2-CD2 4.38Å; L377-G379 VanDerWaalsContact C-N 3.33Å; L377-N380 WeakPolarHBondContact O-CB 3.46Å; L377-N380 PolarHBondContact O-N 2.83Å; L377-N380 PolarHBondContact O-ND2 3.04Å; L377-N380 VanDerWaalsContact O-ND2 3.08Å
378	Y	85.3	Confident	89.1	Confident	122 Å²	122	38.4 Å²	38.4	48%	0.478	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	68.5	29.4	176.2	-44.3	-77	0	0	0	113.6	D175 Y204 N380	D175-Y378 PolarHBondContact OD2-N 3.3Å; Y204-Y378 HydrophobicContact CD1-CD1 4.36Å; Y204-Y378 AromaticContact CD1-CE1 3.35Å; Y204-Y378 HydrophobicContact CD1-CE1 3.35Å; Y204-Y378 HydrophobicContact CD1-CE2 4.4Å; Y204-Y378 AromaticContact CD1-CZ 3.37Å; Y204-Y378 WeakPolarHBondContact CD1-OH 3.4Å; Y204-Y378 HydrophobicContact CD2-CE1 4.25Å; Y204-Y378 AromaticContact CE1-CD1 3.76Å; Y204-Y378 HydrophobicContact CE1-CD1 3.76Å; Y204-Y378 AromaticContact CE1-CE1 3.16Å; Y204-Y378 HydrophobicContact CE1-CE1 3.16Å; Y204-Y378 HydrophobicContact CE1-CE2 4.43Å; Y204-Y378 AromaticContact CE1-CZ 3.57Å; Y204-Y378 HydrophobicContact CE2-CE1 4.08Å; Y204-Y378 AromaticContact CG-CE1 3.88Å; Y204-Y378 HydrophobicContact CG-CE1 3.88Å; Y204-Y378 AromaticContact CZ-CD1 3.91Å; Y204-Y378 AromaticContact CZ-CE1 3.53Å; Y378-N380 PolarHBondContact O-N 3.01Å
379	G	87.6	Confident	89.9	Confident	30 Å²	30	35.1 Å²	35.1	31%	0.309	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	69.8	17.3	-176.4	0	0	0	0	0	113.9	H178 L377	H178-G379 WeakPolarHBondContact CD2-CA 3.37Å; H178-G379 WeakPolarHBondContact NE2-CA 3.18Å; L377-G379 VanDerWaalsContact C-N 3.33Å
380	N	93.4	Very high	90.6	Very high	88 Å²	88	31.6 Å²	31.6	47%	0.471	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	170.8	179.4	-69.1	-48.9	0	0	0	111.3	H178 D376 L377 Y378	H178-N380 PolarHBondContact NE2-O 3.48Å; D376-N380 WeakPolarHBondContact CA-O 3.35Å; D376-N380 HydrophobicContact CB-CB 4.23Å; D376-N380 PolarHBondContact N-O 3.31Å; D376-N380 PolarHBondContact O-N 3.14Å; D376-N380 VanDerWaalsContact O-O 3.12Å; L377-N380 WeakPolarHBondContact O-CB 3.46Å; L377-N380 PolarHBondContact O-N 2.83Å; L377-N380 PolarHBondContact O-ND2 3.04Å; L377-N380 VanDerWaalsContact O-ND2 3.08Å; Y378-N380 PolarHBondContact O-N 3.01Å
381	C	94.7	Very high	91.2	Very high	57 Å²	57	31.5 Å²	31.5	39%	0.385	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	151.1	172.6	-36	0	0	0	0	109.4	L129 C230 T374	L129-C381 HydrophobicContact CD1-CB 3.45Å; L129-C381 VanDerWaalsContact CD1-CB 3.45Å; L129-C381 HydrophobicContact CG-CB 4.5Å; C230-C381 WeakPolarHBondContact CA-SG 3.39Å; C230-C381 HydrophobicContact CB-CB 3.74Å; C230-C381 WeakPolarHBondContact CB-SG 3.43Å; C230-C381 WeakPolarHBondContact SG-CB 3.43Å; C230-C381 CovalentContact SG-SG 2.02Å; C230-C381 PolarHBondContact SG-SG 3.11Å; T374-C381 WeakPolarHBondContact O-CA 3.31Å
382	T	92.4	Very high	91.7	Very high	14 Å²	14	31 Å²	31	9%	0.086	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	151.8	177.2	-172.9	0	0	0	0	111.2	R216 A373 T374 D376 R384 H385	R216-T382 HydrophobicContact CG-CG2 4Å; A373-T382 CarbonylContact C-O 3.52Å; A373-T382 VanDerWaalsContact CA-O 3.26Å; A373-T382 WeakPolarHBondContact CA-O 3.08Å; T374-T382 HydrophobicContact CG2-CG2 3.79Å; T374-T382 PolarHBondContact N-O 2.81Å; T374-T382 PolarHBondContact O-N 2Å; D376-T382 HydrophobicContact CB-CG2 4.18Å; T382-R384 PolarHBondContact OG1-N 3.42Å; T382-R384 VanDerWaalsContact OG1-N 3.1Å; T382-H385 HydrophobicContact CG2-CB 4.4Å
383	L	90.8	Very high	91.9	Very high	44 Å²	44	31.1 Å²	31.1	23%	0.23	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	7.9	169.3	-65.3	179.1	0	0	0	111.6	L129 K132 G371 V372 A373	L129-L383 HydrophobicContact CD1-CD2 4.19Å; L129-L383 HydrophobicContact CD2-CD2 4.1Å; K132-L383 HydrophobicContact CB-CD2 3.93Å; K132-L383 HydrophobicContact CG-CD2 4.4Å; G371-L383 CarbonylContact C-O 3.6Å; G371-L383 WeakPolarHBondContact CA-O 3.42Å; V372-L383 CarbonylContact O-C 3.27Å; A373-L383 HydrophobicContact CB-CD2 3.36Å
384	R	87.7	Confident	92.1	Very high	192 Å²	192	31.1 Å²	31.1	73%	0.725	16%	0.161	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-119.3	14.2	-165.5	-60.2	-173.1	179.2	-167.8	2.4	112.8	T382	T382-R384 PolarHBondContact OG1-N 3.42Å; T382-R384 VanDerWaalsContact OG1-N 3.1Å
385	H	90.6	Very high	92.2	Very high	5 Å²	5	31 Å²	31	2%	0.023	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	141.8	169.4	-169.1	45.1	0	0	0	109.4	H213 E220 V372 T374 T382 A390	H213-H385 AromaticContact NE2-CE1 3.75Å; E220-H385 IonicContact OE1-CD2 3.09Å; E220-H385 PolarHBondContact OE1-CD2 3.34Å; E220-H385 IonicContact OE1-NE2 3.76Å; E220-H385 PolarHBondContact OE1-NE2 3.45Å; E220-H385 IonicContact OE2-CD2 2.93Å; V372-H385 HydrophobicContact CB-CB 4.12Å; V372-H385 PolarHBondContact N-O 3.19Å; V372-H385 PolarHBondContact O-N 3.49Å; T374-H385 HydrophobicContact CG2-CB 3.92Å; T382-H385 HydrophobicContact CG2-CB 4.4Å; H385-A390 VanDerWaalsContact CD2-CB 3.4Å; H385-A390 WeakPolarHBondContact CD2-CB 3.25Å; H385-A390 WeakPolarHBondContact NE2-CA 3.25Å; H385-A390 WeakPolarHBondContact NE2-CB 3.06Å
386	S	88.8	Confident	92.3	Very high	56 Å²	56	31 Å²	31	39%	0.392	16%	0.16	S	C	.	.			trans	-165.6	168.6	-168.1	63.5	0	0	0	0	110	S361	S361-S386 WeakPolarHBondContact OG-CA 3.45Å
387	G	87.3	Confident	92.5	Very high	3 Å²	3	29.9 Å²	29.9	3%	0.031	15%	0.154	C	C	.	.	S	Bend	trans	100.9	163	-174.2	0	0	0	0	0	110.6	D315 Y348 S361 S389 A390	D315-G387 WeakPolarHBondContact OD2-CA 3.49Å; Y348-G387 PolarHBondContact OH-N 2.79Å; Y348-G387 VanDerWaalsContact OH-N 3.14Å; S361-G387 VanDerWaalsContact CB-O 3.31Å; S361-G387 WeakPolarHBondContact CB-O 3.49Å; S361-G387 PolarHBondContact OG-N 2.9Å; S361-G387 PolarHBondContact OG-O 3.44Å; G387-S389 PolarHBondContact O-N 3.31Å; G387-S389 VanDerWaalsContact O-N 3.15Å; G387-A390 PolarHBondContact O-N 3.2Å; G387-A390 VanDerWaalsContact O-N 3.08Å
388	T	88.3	Confident	92.8	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.012	15%	0.154	C	C	.	.	H	α-helix	trans	-59.6	-18.4	168.1	54.1	0	0	0	0	111.4	A312 G314 D315 N337 Y348 A390 A391 A392	A312-T388 WeakPolarHBondContact CB-O 3.06Å; G314-T388 PolarHBondContact N-OG1 3.23Å; G314-T388 VanDerWaalsContact O-CG2 3.28Å; G314-T388 WeakPolarHBondContact O-CG2 3.32Å; G314-T388 PolarHBondContact O-OG1 2.75Å; D315-T388 WeakPolarHBondContact OD1-CB 3.36Å; D315-T388 WeakPolarHBondContact OD1-CG2 3.45Å; D315-T388 PolarHBondContact OD1-N 3.39Å; D315-T388 PolarHBondContact OD1-OG1 3.19Å; N337-T388 WeakPolarHBondContact OD1-CG2 3.47Å; Y348-T388 HydrophobicContact CD2-CG2 4.34Å; Y348-T388 HydrophobicContact CE2-CG2 4.26Å; T388-A390 VanDerWaalsContact C-N 3.27Å; T388-A390 PolarHBondContact O-N 2.8Å; T388-A391 VanDerWaalsContact O-CB 3.3Å; T388-A391 WeakPolarHBondContact O-CB 3.41Å; T388-A391 PolarHBondContact O-N 3.25Å; T388-A392 PolarHBondContact O-N 3.33Å
389	S	89.3	Confident	93.5	Very high	11 Å²	11	24 Å²	24	8%	0.077	13%	0.131	C	C	.	.	H	α-helix	trans	-64.4	-21.9	171.6	67.4	0	0	0	0	115.8	H213 S273 G387 P393	H213-S389 WeakPolarHBondContact NE2-CB 3.18Å; H213-S389 PolarHBondContact NE2-OG 2.9Å; S273-S389 VanDerWaalsContact CB-CB 3.44Å; S273-S389 WeakPolarHBondContact OG-CB 3.47Å; G387-S389 PolarHBondContact O-N 3.31Å; G387-S389 VanDerWaalsContact O-N 3.15Å; S389-P393 WeakPolarHBondContact O-CD 3.06Å; S389-P393 VanDerWaalsContact O-CG 3.24Å; S389-P393 WeakPolarHBondContact O-CG 3.42Å
390	A	93.2	Very high	94	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-83	-27.8	169.6	0	0	0	0	0	111.9	E220 V372 H385 G387 T388 P393 E394	E220-A390 WeakPolarHBondContact OE2-CB 3.35Å; V372-A390 HydrophobicContact CB-CB 4.38Å; V372-A390 HydrophobicContact CG2-CB 3.78Å; H385-A390 VanDerWaalsContact CD2-CB 3.4Å; H385-A390 WeakPolarHBondContact CD2-CB 3.25Å; H385-A390 WeakPolarHBondContact NE2-CA 3.25Å; H385-A390 WeakPolarHBondContact NE2-CB 3.06Å; G387-A390 PolarHBondContact O-N 3.2Å; G387-A390 VanDerWaalsContact O-N 3.08Å; T388-A390 VanDerWaalsContact C-N 3.27Å; T388-A390 PolarHBondContact O-N 2.8Å; A390-P393 WeakPolarHBondContact O-CD 3.35Å; A390-E394 PolarHBondContact O-N 3.02Å
391	A	95.3	Very high	94.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-70.2	-43.1	-178.4	0	0	0	0	0	112.2	I336 T359 F360 T388 E394 A395	I336-A391 HydrophobicContact CG2-CB 4.04Å; T359-A391 WeakPolarHBondContact OG1-CA 3.19Å; T359-A391 WeakPolarHBondContact OG1-CB 3.22Å; T359-A391 PolarHBondContact OG1-O 2.75Å; F360-A391 WeakPolarHBondContact O-CA 3.19Å; T388-A391 VanDerWaalsContact O-CB 3.3Å; T388-A391 WeakPolarHBondContact O-CB 3.41Å; T388-A391 PolarHBondContact O-N 3.25Å; A391-E394 WeakPolarHBondContact O-CB 3.31Å; A391-E394 PolarHBondContact O-N 3.32Å; A391-A395 PolarHBondContact O-N 3.48Å; A391-A395 VanDerWaalsContact O-N 3.12Å
392	A	96.7	Very high	94.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.6	-45.3	-179.5	0	0	0	0	0	114	V310 A312 T388 E394 A395 A396	V310-A392 HydrophobicContact CG1-CB 4.19Å; V310-A392 WeakPolarHBondContact CG1-O 3.24Å; A312-A392 HydrophobicContact CB-CB 4.08Å; T388-A392 PolarHBondContact O-N 3.33Å; A392-E394 PolarHBondContact O-N 2.79Å; A392-A395 WeakPolarHBondContact O-CB 3.33Å; A392-A395 PolarHBondContact O-N 2.88Å; A392-A396 PolarHBondContact O-N 3.21Å
393	P	97.6	Very high	94.7	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.013	7%	0.072	C	C	.	.	H	α-helix	trans	-58.5	-43.6	172.2	-25.6	33.3	0	0	0	113.4	C217 E220 V221 S389 A390 A395 A396 G397	C217-P393 HydrophobicContact CB-CB 4.17Å; C217-P393 HydrophobicContact CB-CG 3.52Å; E220-P393 HydrophobicContact CB-CB 4.02Å; V221-P393 HydrophobicContact CG2-CB 3.8Å; V221-P393 WeakPolarHBondContact CG2-O 3.45Å; S389-P393 WeakPolarHBondContact O-CD 3.06Å; S389-P393 VanDerWaalsContact O-CG 3.24Å; S389-P393 WeakPolarHBondContact O-CG 3.42Å; A390-P393 WeakPolarHBondContact O-CD 3.35Å; P393-A395 VanDerWaalsContact C-N 3.26Å; P393-A395 PolarHBondContact O-N 3.09Å; P393-A396 WeakPolarHBondContact O-CB 3.04Å; P393-A396 PolarHBondContact O-N 3.08Å; P393-A396 VanDerWaalsContact O-N 3.15Å; P393-G397 PolarHBondContact O-N 2.82Å
394	E	97.3	Very high	95.1	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-55	-44.3	174.5	-75.3	-174.7	-167.9	0	0	111.5	Y135 L150 T359 F360 A390 A391 A392 G397 V398	Y135-E394 HydrophobicContact CD2-CG 4.16Å; Y135-E394 WeakPolarHBondContact CD2-OE1 3.23Å; Y135-E394 HydrophobicContact CE2-CG 4.38Å; Y135-E394 VanDerWaalsContact CG-OE1 3.27Å; L150-E394 HydrophobicContact CD1-CB 4.01Å; L150-E394 HydrophobicContact CD1-CG 4.28Å; T359-E394 WeakPolarHBondContact CB-OE2 3.43Å; T359-E394 HydrophobicContact CG2-CB 4.23Å; F360-E394 WeakPolarHBondContact CA-OE2 3.31Å; F360-E394 WeakPolarHBondContact CB-OE2 3.41Å; F360-E394 PolarHBondContact N-OE2 2.81Å; A390-E394 PolarHBondContact O-N 3.02Å; A391-E394 WeakPolarHBondContact O-CB 3.31Å; A391-E394 PolarHBondContact O-N 3.32Å; A392-E394 PolarHBondContact O-N 2.79Å; E394-G397 PolarHBondContact O-N 2.96Å; E394-V398 WeakPolarHBondContact O-CG2 3.28Å; E394-V398 PolarHBondContact O-N 3.23Å; E394-V398 VanDerWaalsContact O-N 3.08Å
395	A	98.3	Very high	95.5	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-66	-42.2	176.9	0	0	0	0	0	112.7	V310 I336 T359 A391 A392 P393 G397 V398 F399 L452	V310-A395 HydrophobicContact CG1-CB 4.03Å; I336-A395 HydrophobicContact CB-CB 4.4Å; I336-A395 HydrophobicContact CD1-CB 3.81Å; I336-A395 HydrophobicContact CG1-CB 3.62Å; I336-A395 HydrophobicContact CG2-CB 4.08Å; T359-A395 HydrophobicContact CG2-CB 3.82Å; A391-A395 PolarHBondContact O-N 3.48Å; A391-A395 VanDerWaalsContact O-N 3.12Å; A392-A395 WeakPolarHBondContact O-CB 3.33Å; A392-A395 PolarHBondContact O-N 2.88Å; P393-A395 VanDerWaalsContact C-N 3.26Å; P393-A395 PolarHBondContact O-N 3.09Å; A395-G397 VanDerWaalsContact C-N 3.26Å; A395-G397 PolarHBondContact O-N 2.84Å; A395-V398 PolarHBondContact O-N 3.21Å; A395-V398 VanDerWaalsContact O-N 3.1Å; A395-F399 HydrophobicContact CB-CE2 4.2Å; A395-F399 HydrophobicContact CB-CZ 4.31Å; A395-F399 WeakPolarHBondContact O-CD2 3.4Å; A395-F399 VanDerWaalsContact O-CG 3.24Å; A395-F399 WeakPolarHBondContact O-CG 3.38Å; A395-F399 PolarHBondContact O-N 3.08Å; A395-L452 HydrophobicContact CB-CD1 3.49Å; A395-L452 VanDerWaalsContact CB-CD1 3.49Å
396	A	98.5	Very high	95.9	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-58.4	-39.9	175	0	0	0	0	0	111.6	I167 I269 V310 A392 P393 F399 A400	I167-A396 HydrophobicContact CG2-CB 4.14Å; I269-A396 HydrophobicContact CG2-CB 3.91Å; V310-A396 HydrophobicContact CB-CB 4.5Å; V310-A396 HydrophobicContact CG2-CB 4.19Å; A392-A396 PolarHBondContact O-N 3.21Å; P393-A396 WeakPolarHBondContact O-CB 3.04Å; P393-A396 PolarHBondContact O-N 3.08Å; P393-A396 VanDerWaalsContact O-N 3.15Å; A396-F399 PolarHBondContact O-N 3.23Å; A396-A400 PolarHBondContact O-N 3.27Å
397	G	98.2	Very high	96.3	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-61.2	-45.9	172	0	0	0	0	0	112.8	P393 E394 A395 F399 A400 L401	P393-G397 PolarHBondContact O-N 2.82Å; E394-G397 PolarHBondContact O-N 2.96Å; A395-G397 VanDerWaalsContact C-N 3.26Å; A395-G397 PolarHBondContact O-N 2.84Å; G397-F399 VanDerWaalsContact C-N 3.33Å; G397-F399 PolarHBondContact O-N 3.49Å; G397-A400 WeakPolarHBondContact O-CB 3.41Å; G397-A400 PolarHBondContact O-N 2.69Å; G397-L401 WeakPolarHBondContact O-CG 3.25Å; G397-L401 PolarHBondContact O-N 2.96Å; G397-L401 VanDerWaalsContact O-N 3.16Å
398	V	98.6	Very high	96.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61.6	-41.9	176.8	174.4	0	0	0	0	111.5	L150 V234 E394 A395 A400 L401 A402 L452 A454 M457	L150-V398 HydrophobicContact CD1-CG2 4.26Å; L150-V398 HydrophobicContact CD2-CG2 4.5Å; V234-V398 HydrophobicContact CG1-CG2 3.99Å; E394-V398 WeakPolarHBondContact O-CG2 3.28Å; E394-V398 PolarHBondContact O-N 3.23Å; E394-V398 VanDerWaalsContact O-N 3.08Å; A395-V398 PolarHBondContact O-N 3.21Å; A395-V398 VanDerWaalsContact O-N 3.1Å; V398-A400 VanDerWaalsContact C-N 3.29Å; V398-A400 PolarHBondContact O-N 2.85Å; V398-L401 WeakPolarHBondContact O-CB 3.1Å; V398-L401 PolarHBondContact O-N 2.66Å; V398-A402 PolarHBondContact O-N 3.02Å; V398-A402 VanDerWaalsContact O-N 3.11Å; V398-L452 HydrophobicContact CB-CD1 4.42Å; V398-L452 HydrophobicContact CG1-CB 4.49Å; V398-A454 HydrophobicContact CG1-CB 3.95Å; V398-A454 HydrophobicContact CG2-CB 4.07Å; V398-M457 HydrophobicContact CG1-SD 3.9Å
399	F	98.6	Very high	97.2	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-64.9	-33.5	176.7	-60.9	-24.3	0	0	0	112.3	I269 I308 V310 I334 I336 A395 A396 G397 A402 L403 M414 S418 L452 M457	I269-F399 HydrophobicContact CD1-CB 3.81Å; I308-F399 HydrophobicContact CG2-CD2 4.21Å; V310-F399 HydrophobicContact CG1-CE2 4.19Å; V310-F399 HydrophobicContact CG2-CD2 3.55Å; V310-F399 HydrophobicContact CG2-CE2 3.68Å; I334-F399 HydrophobicContact CB-CE2 4.25Å; I334-F399 HydrophobicContact CD1-CD2 4.44Å; I334-F399 HydrophobicContact CD1-CE2 3.84Å; I334-F399 HydrophobicContact CD1-CZ 4.08Å; I334-F399 HydrophobicContact CG2-CE2 4Å; I334-F399 HydrophobicContact CG2-CZ 3.85Å; I336-F399 HydrophobicContact CD1-CZ 4.42Å; A395-F399 HydrophobicContact CB-CE2 4.2Å; A395-F399 HydrophobicContact CB-CZ 4.31Å; A395-F399 WeakPolarHBondContact O-CD2 3.4Å; A395-F399 VanDerWaalsContact O-CG 3.24Å; A395-F399 WeakPolarHBondContact O-CG 3.38Å; A395-F399 PolarHBondContact O-N 3.08Å; A396-F399 PolarHBondContact O-N 3.23Å; G397-F399 VanDerWaalsContact C-N 3.33Å; G397-F399 PolarHBondContact O-N 3.49Å; F399-A402 PolarHBondContact O-N 3.13Å; F399-L403 WeakPolarHBondContact O-CG 3.33Å; F399-L403 PolarHBondContact O-N 3.16Å; F399-M414 HydrophobicContact CB-CE 3.95Å; F399-M414 HydrophobicContact CB-CG 4.29Å; F399-M414 HydrophobicContact CB-SD 3.87Å; F399-M414 HydrophobicContact CD1-CG 3.74Å; F399-M414 HydrophobicContact CD1-SD 3.38Å; F399-M414 WeakPolarHBondContact CD1-SD 3.47Å; F399-M414 HydrophobicContact CD2-CG 4.24Å; F399-M414 HydrophobicContact CE1-CG 4.11Å; F399-M414 HydrophobicContact CE1-SD 4.12Å; F399-M414 HydrophobicContact CG-CE 4.45Å; F399-M414 HydrophobicContact CG-CG 3.82Å; F399-M414 HydrophobicContact CG-SD 3.74Å; F399-S418 VanDerWaalsContact CE1-OG 3.31Å; F399-S418 WeakPolarHBondContact CE1-OG 3.47Å; F399-L452 HydrophobicContact CE1-CD1 3.83Å; F399-L452 HydrophobicContact CE1-CD2 4.2Å; F399-L452 HydrophobicContact CZ-CD1 3.94Å; F399-M457 HydrophobicContact CD1-CE 4.35Å; F399-M457 HydrophobicContact CD1-SD 3.79Å; F399-M457 HydrophobicContact CE1-CE 4Å; F399-M457 HydrophobicContact CE1-SD 4.06Å
400	A	98.6	Very high	97.6	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-65.4	-38.9	173.7	0	0	0	0	0	112.6	V165 I167 A235 I269 A396 G397 V398 A402 L403 E404	V165-A400 HydrophobicContact CB-CB 4.21Å; V165-A400 HydrophobicContact CG1-CB 3.85Å; I167-A400 HydrophobicContact CD1-CB 3.43Å; I167-A400 VanDerWaalsContact CD1-CB 3.43Å; I167-A400 HydrophobicContact CG1-CB 4.17Å; A235-A400 HydrophobicContact CB-CB 3.89Å; I269-A400 HydrophobicContact CD1-CB 3.99Å; A396-A400 PolarHBondContact O-N 3.27Å; G397-A400 WeakPolarHBondContact O-CB 3.41Å; G397-A400 PolarHBondContact O-N 2.69Å; V398-A400 VanDerWaalsContact C-N 3.29Å; V398-A400 PolarHBondContact O-N 2.85Å; A400-A402 VanDerWaalsContact C-N 3.31Å; A400-A402 PolarHBondContact O-N 2.93Å; A400-L403 PolarHBondContact O-N 3.28Å; A400-E404 PolarHBondContact O-N 2.95Å
401	L	98.6	Very high	97.8	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61.2	-41.6	172.3	-58	177.7	0	0	0	111.2	V152 A155 T161 V234 A235 G397 V398 E404 A405 A454 V458	V152-L401 HydrophobicContact CG1-CD1 4.42Å; A155-L401 HydrophobicContact CB-CD1 3.94Å; T161-L401 VanDerWaalsContact C-CD2 3.49Å; V234-L401 HydrophobicContact CG1-CD1 4Å; A235-L401 HydrophobicContact CB-CD2 4.2Å; G397-L401 WeakPolarHBondContact O-CG 3.25Å; G397-L401 PolarHBondContact O-N 2.96Å; G397-L401 VanDerWaalsContact O-N 3.16Å; V398-L401 WeakPolarHBondContact O-CB 3.1Å; V398-L401 PolarHBondContact O-N 2.66Å; L401-E404 PolarHBondContact O-N 2.81Å; L401-A405 PolarHBondContact O-N 3.34Å; L401-A454 HydrophobicContact CD1-CB 4.08Å; L401-V458 HydrophobicContact CB-CG2 3.77Å
402	A	98.4	Very high	98	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-68.1	-38	177.8	0	0	0	0	0	112.8	V398 F399 A400 A405 N406 L409 M414 M457 A461	V398-A402 PolarHBondContact O-N 3.02Å; V398-A402 VanDerWaalsContact O-N 3.11Å; F399-A402 PolarHBondContact O-N 3.13Å; A400-A402 VanDerWaalsContact C-N 3.31Å; A400-A402 PolarHBondContact O-N 2.93Å; A402-A405 WeakPolarHBondContact O-CB 3.13Å; A402-A405 PolarHBondContact O-N 2.91Å; A402-N406 PolarHBondContact O-N 2.68Å; A402-L409 HydrophobicContact CB-CD1 4.41Å; A402-M414 HydrophobicContact CB-CE 4.03Å; A402-M414 HydrophobicContact CB-SD 4.21Å; A402-M457 HydrophobicContact CB-CG 3.81Å; A402-M457 HydrophobicContact CB-SD 3.97Å; A402-A461 HydrophobicContact CB-CB 4.28Å
403	L	98.4	Very high	98	Very high	3 Å²	3	15.1 Å²	15.1	2%	0.016	8%	0.084	C	C	.	.	H	α-helix	trans	-67.7	-36.1	175	-77.9	-170.6	0	0	0	113	V165 D268 I269 R302 I308 F399 A400 A405 N406 P407 L409 M414	V165-L403 HydrophobicContact CG1-CB 4.44Å; V165-L403 HydrophobicContact CG1-CD1 3.95Å; V165-L403 HydrophobicContact CG2-CB 3.77Å; D268-L403 HydrophobicContact CB-CD1 3.72Å; I269-L403 HydrophobicContact CD1-CD1 3.87Å; I269-L403 HydrophobicContact CG1-CD1 3.93Å; R302-L403 VanDerWaalsContact NH2-CD2 3.31Å; I308-L403 HydrophobicContact CD1-CD1 3.96Å; I308-L403 HydrophobicContact CD1-CD2 4.07Å; I308-L403 HydrophobicContact CD1-CG 4.21Å; F399-L403 WeakPolarHBondContact O-CG 3.33Å; F399-L403 PolarHBondContact O-N 3.16Å; A400-L403 PolarHBondContact O-N 3.28Å; L403-A405 VanDerWaalsContact C-N 3.27Å; L403-A405 PolarHBondContact O-N 2.95Å; L403-N406 CarbonylContact O-C 3.53Å; L403-N406 PolarHBondContact O-N 2.68Å; L403-P407 WeakPolarHBondContact O-CA 3.38Å; L403-P407 WeakPolarHBondContact O-CD 3.46Å; L403-L409 HydrophobicContact CD2-CB 3.98Å; L403-L409 HydrophobicContact CD2-CD1 4.36Å; L403-M414 HydrophobicContact CD2-CE 3.76Å; L403-M414 HydrophobicContact CG-CE 3.8Å
404	E	98.3	Very high	98.1	Very high	45 Å²	45	15 Å²	15	21%	0.21	8%	0.083	C	C	.	.	H	α-helix	trans	-62.3	-39.6	172	-176.1	-176.3	-172.2	0	0	110.8	Y160 T161 G162 K163 A400 L401	Y160-E404 WeakPolarHBondContact CA-OE2 3.36Å; Y160-E404 HydrophobicContact CD1-CB 4.27Å; Y160-E404 HydrophobicContact CD1-CG 3.97Å; T161-E404 PolarHBondContact N-OE2 3.39Å; G162-E404 WeakPolarHBondContact CA-OE2 3.4Å; G162-E404 PolarHBondContact N-OE2 2.94Å; K163-E404 WeakPolarHBondContact CB-OE1 3.25Å; K163-E404 VanDerWaalsContact N-CD 3.31Å; K163-E404 PolarHBondContact N-OE2 2.88Å; K163-E404 VanDerWaalsContact N-OE2 3.16Å; A400-E404 PolarHBondContact O-N 2.95Å; L401-E404 PolarHBondContact O-N 2.81Å
405	A	97.8	Very high	98.1	Very high	13 Å²	13	15.1 Å²	15.1	11%	0.107	8%	0.083	C	C	.	.	H	α-helix	trans	-66.4	-37.8	176.2	0	0	0	0	0	113.2	Y160 L401 A402 L403 V458 A461	Y160-A405 HydrophobicContact CD1-CB 3.84Å; Y160-A405 HydrophobicContact CE1-CB 3.55Å; Y160-A405 HydrophobicContact CE2-CB 4.35Å; Y160-A405 HydrophobicContact CG-CB 4.38Å; L401-A405 PolarHBondContact O-N 3.34Å; A402-A405 WeakPolarHBondContact O-CB 3.13Å; A402-A405 PolarHBondContact O-N 2.91Å; L403-A405 VanDerWaalsContact C-N 3.27Å; L403-A405 PolarHBondContact O-N 2.95Å; A405-V458 HydrophobicContact CB-CG1 4.01Å; A405-A461 HydrophobicContact CB-CB 4.27Å
406	N	97.8	Very high	98.1	Very high	20 Å²	20	15.2 Å²	15.2	11%	0.107	8%	0.084	C	C	.	.			trans	-145.4	96.5	175.9	-174.3	-8.6	0	0	0	111.3	A402 L403 N408 L409 A461 W464	A402-N406 PolarHBondContact O-N 2.68Å; L403-N406 CarbonylContact O-C 3.53Å; L403-N406 PolarHBondContact O-N 2.68Å; N406-N408 PolarHBondContact O-N 2.8Å; N406-N408 WeakPolarHBondContact OD1-CB 3.3Å; N406-N408 PolarHBondContact OD1-N 2.77Å; N406-L409 HydrophobicContact CB-CD1 4.18Å; N406-L409 HydrophobicContact CB-CD2 4.42Å; N406-L409 HydrophobicContact CB-CG 3.9Å; N406-L409 VanDerWaalsContact O-CG 3.28Å; N406-L409 WeakPolarHBondContact O-CG 3.43Å; N406-L409 PolarHBondContact O-N 2.86Å; N406-A461 HydrophobicContact CB-CB 4.42Å; N406-A461 VanDerWaalsContact CB-O 3.22Å; N406-A461 WeakPolarHBondContact CB-O 3.35Å; N406-A461 PolarHBondContact ND2-O 3.22Å; N406-W464 PolarHBondContact ND2-O 3.19Å
407	P	96.9	Very high	98.1	Very high	74 Å²	74	15.2 Å²	15.2	48%	0.481	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-11.5	179	-24.7	34.5	0	0	0	113.8	R302 K305 L403	R302-P407 PolarHBondContact NH2-O 2.85Å; K305-P407 WeakPolarHBondContact CD-O 3.48Å; K305-P407 PolarHBondContact NZ-O 3.45Å; L403-P407 WeakPolarHBondContact O-CA 3.38Å; L403-P407 WeakPolarHBondContact O-CD 3.46Å
408	N	96.9	Very high	98.1	Very high	98 Å²	98	15.2 Å²	15.2	52%	0.524	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-3.5	-179.4	-63.4	-37.5	0	0	0	114.2	K305 N406 T410	K305-N408 WeakPolarHBondContact CE-OD1 3.32Å; K305-N408 PolarHBondContact NZ-OD1 2.87Å; N406-N408 PolarHBondContact O-N 2.8Å; N406-N408 WeakPolarHBondContact OD1-CB 3.3Å; N406-N408 PolarHBondContact OD1-N 2.77Å; N408-T410 PolarHBondContact O-N 2.77Å
409	L	98.1	Very high	98	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.084	C	C	.	.			trans	-57.9	128.8	173.7	-64.6	172.6	0	0	0	110.7	R302 A402 L403 N406 D413 M414 L417 A461 W464	R302-L409 PolarHBondContact NH1-O 2.99Å; A402-L409 HydrophobicContact CB-CD1 4.41Å; L403-L409 HydrophobicContact CD2-CB 3.98Å; L403-L409 HydrophobicContact CD2-CD1 4.36Å; N406-L409 HydrophobicContact CB-CD1 4.18Å; N406-L409 HydrophobicContact CB-CD2 4.42Å; N406-L409 HydrophobicContact CB-CG 3.9Å; N406-L409 VanDerWaalsContact O-CG 3.28Å; N406-L409 WeakPolarHBondContact O-CG 3.43Å; N406-L409 PolarHBondContact O-N 2.86Å; L409-D413 HydrophobicContact CB-CB 4.2Å; L409-D413 HydrophobicContact CD2-CB 3.77Å; L409-M414 HydrophobicContact CD1-CE 4.03Å; L409-L417 HydrophobicContact CD1-CD1 3.68Å; L409-L417 HydrophobicContact CD2-CD1 3.78Å; L409-L417 HydrophobicContact CG-CD1 4.38Å; L409-A461 HydrophobicContact CD1-CB 3.93Å; L409-W464 HydrophobicContact CD2-CB 4.02Å; L409-W464 VanDerWaalsContact CD2-CD1 3.42Å; L409-W464 HydrophobicContact CD2-CG 3.86Å
410	T	98.2	Very high	97.8	Very high	26 Å²	26	15.6 Å²	15.6	16%	0.16	9%	0.086	C	C	.	.			trans	-81	167.2	169.9	66.3	0	0	0	0	111	K305 N408 R412 D413 M414 T466	K305-T410 CarbonylContact O-C 3.46Å; K305-T410 WeakPolarHBondContact O-CA 3.19Å; K305-T410 WeakPolarHBondContact O-CB 3.49Å; N408-T410 PolarHBondContact O-N 2.77Å; T410-R412 PolarHBondContact O-N 2.98Å; T410-D413 WeakPolarHBondContact CB-OD2 3.29Å; T410-D413 WeakPolarHBondContact CG2-OD2 3.45Å; T410-D413 PolarHBondContact N-OD2 2.79Å; T410-D413 WeakPolarHBondContact O-CB 3.41Å; T410-D413 PolarHBondContact O-N 2.93Å; T410-D413 VanDerWaalsContact O-N 3.14Å; T410-D413 PolarHBondContact OG1-N 2.99Å; T410-D413 VanDerWaalsContact OG1-N 3.15Å; T410-D413 PolarHBondContact OG1-OD2 3.44Å; T410-M414 PolarHBondContact O-N 2.8Å; T410-M414 VanDerWaalsContact O-N 3.1Å; T410-T466 HydrophobicContact CG2-CG2 3.85Å
411	W	97.8	Very high	97.7	Very high	19 Å²	19	16.1 Å²	16.1	7%	0.072	9%	0.089	C	C	.	.	H	α-helix	trans	-56.7	-35.8	174.7	70.5	-86.7	0	0	0	112.7	V298 K305 I308 M331 Q415	V298-W411 HydrophobicContact CB-CD2 4.11Å; V298-W411 HydrophobicContact CB-CG 4.11Å; V298-W411 HydrophobicContact CB-CZ2 4.5Å; V298-W411 HydrophobicContact CG1-CD2 4.17Å; V298-W411 HydrophobicContact CG1-CG 4.28Å; V298-W411 VanDerWaalsContact O-CD1 3.26Å; V298-W411 PolarHBondContact O-NE1 3.47Å; K305-W411 PolarHBondContact O-N 3.25Å; I308-W411 HydrophobicContact CG1-CB 4.4Å; M331-W411 WeakPolarHBondContact O-CZ3 3.43Å; W411-Q415 PolarHBondContact O-N 2.82Å
412	R	97.8	Very high	97.5	Very high	17 Å²	17	16.3 Å²	16.3	6%	0.064	9%	0.091	C	C	.	.	H	α-helix	trans	-70.7	-43.7	174.3	-80.9	166.4	65.2	-125.5	2.9	112.2	T410 M414 Q415 H416 V467 P468 E510	T410-R412 PolarHBondContact O-N 2.98Å; R412-M414 PolarHBondContact O-N 3.39Å; R412-Q415 WeakPolarHBondContact O-CA 3.29Å; R412-Q415 WeakPolarHBondContact O-CB 3.29Å; R412-Q415 PolarHBondContact O-N 2.64Å; R412-H416 PolarHBondContact O-CD2 2.89Å; R412-H416 PolarHBondContact O-N 3.23Å; R412-V467 HydrophobicContact CB-CG2 4.27Å; R412-P468 VanDerWaalsContact CZ-O 3.31Å; R412-P468 PolarHBondContact NH1-O 2.6Å; R412-P468 PolarHBondContact NH2-O 2.76Å; R412-E510 IonicContact CZ-OE1 3.69Å; R412-E510 VanDerWaalsContact CZ-OE1 3.3Å; R412-E510 IonicContact CZ-OE2 3.56Å; R412-E510 IonicContact NE-OE1 2.94Å; R412-E510 PolarHBondContact NE-OE1 3.08Å; R412-E510 IonicContact NE-OE2 3.02Å; R412-E510 PolarHBondContact NE-OE2 2.91Å; R412-E510 IonicContact NH2-OE1 3.45Å; R412-E510 PolarHBondContact NH2-OE1 3.24Å; R412-E510 IonicContact NH2-OE2 3.86Å
413	D	98.2	Very high	97.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-55.2	-39.2	176.7	-66.4	-46.8	0	0	0	110.9	L409 T410 Q415 H416 L417 W464 T466 V467	L409-D413 HydrophobicContact CB-CB 4.2Å; L409-D413 HydrophobicContact CD2-CB 3.77Å; T410-D413 WeakPolarHBondContact CB-OD2 3.29Å; T410-D413 WeakPolarHBondContact CG2-OD2 3.45Å; T410-D413 PolarHBondContact N-OD2 2.79Å; T410-D413 WeakPolarHBondContact O-CB 3.41Å; T410-D413 PolarHBondContact O-N 2.93Å; T410-D413 VanDerWaalsContact O-N 3.14Å; T410-D413 PolarHBondContact OG1-N 2.99Å; T410-D413 VanDerWaalsContact OG1-N 3.15Å; T410-D413 PolarHBondContact OG1-OD2 3.44Å; D413-Q415 PolarHBondContact O-N 2.88Å; D413-H416 PolarHBondContact O-N 3.46Å; D413-L417 WeakPolarHBondContact O-CB 3.47Å; D413-L417 VanDerWaalsContact O-CG 3.28Å; D413-L417 WeakPolarHBondContact O-CG 3.32Å; D413-L417 PolarHBondContact O-N 3.45Å; D413-W464 VanDerWaalsContact CG-NE1 3.27Å; D413-W464 PolarHBondContact OD1-NE1 2.87Å; D413-T466 WeakPolarHBondContact OD1-CA 3.31Å; D413-T466 WeakPolarHBondContact OD2-CG2 3.33Å; D413-T466 PolarHBondContact OD2-OG1 2.99Å; D413-V467 PolarHBondContact OD1-N 2.81Å
414	M	98.4	Very high	96.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.4	-39.9	175.7	-165.4	60.4	72	0	0	112.8	I308 I334 F399 A402 L403 L409 T410 R412 S418 M457	I308-M414 HydrophobicContact CD1-CB 4.15Å; I308-M414 HydrophobicContact CD1-CE 3.82Å; I308-M414 HydrophobicContact CD1-CG 4.16Å; I308-M414 HydrophobicContact CG2-CG 4.46Å; I334-M414 HydrophobicContact CD1-CB 4.18Å; I334-M414 HydrophobicContact CD1-CG 3.88Å; F399-M414 HydrophobicContact CB-CE 3.95Å; F399-M414 HydrophobicContact CB-CG 4.29Å; F399-M414 HydrophobicContact CB-SD 3.87Å; F399-M414 HydrophobicContact CD1-CG 3.74Å; F399-M414 HydrophobicContact CD1-SD 3.38Å; F399-M414 WeakPolarHBondContact CD1-SD 3.47Å; F399-M414 HydrophobicContact CD2-CG 4.24Å; F399-M414 HydrophobicContact CE1-CG 4.11Å; F399-M414 HydrophobicContact CE1-SD 4.12Å; F399-M414 HydrophobicContact CG-CE 4.45Å; F399-M414 HydrophobicContact CG-CG 3.82Å; F399-M414 HydrophobicContact CG-SD 3.74Å; A402-M414 HydrophobicContact CB-CE 4.03Å; A402-M414 HydrophobicContact CB-SD 4.21Å; L403-M414 HydrophobicContact CD2-CE 3.76Å; L403-M414 HydrophobicContact CG-CE 3.8Å; L409-M414 HydrophobicContact CD1-CE 4.03Å; T410-M414 PolarHBondContact O-N 2.8Å; T410-M414 VanDerWaalsContact O-N 3.1Å; R412-M414 PolarHBondContact O-N 3.39Å; M414-S418 WeakPolarHBondContact O-CB 3.37Å; M414-S418 PolarHBondContact O-N 2.93Å; M414-S418 PolarHBondContact O-OG 2.97Å; M414-M457 HydrophobicContact SD-SD 4.1Å
415	Q	98.4	Very high	95.8	Very high	2 Å²	2	27 Å²	27	1%	0.009	14%	0.138	C	C	.	.	H	α-helix	trans	-66.3	-45	174.2	-68.3	177.6	-6	0	0	111.8	M331 I334 L356 W411 R412 D413 L417 S418 V419 H511 W565	M331-Q415 PolarHBondContact O-NE2 2.89Å; M331-Q415 VanDerWaalsContact O-NE2 3.13Å; I334-Q415 HydrophobicContact CD1-CG 3.77Å; I334-Q415 HydrophobicContact CG1-CG 3.73Å; L356-Q415 HydrophobicContact CD2-CB 3.83Å; L356-Q415 HydrophobicContact CD2-CG 3.95Å; W411-Q415 PolarHBondContact O-N 2.82Å; R412-Q415 WeakPolarHBondContact O-CA 3.29Å; R412-Q415 WeakPolarHBondContact O-CB 3.29Å; R412-Q415 PolarHBondContact O-N 2.64Å; D413-Q415 PolarHBondContact O-N 2.88Å; Q415-L417 PolarHBondContact O-N 3.34Å; Q415-S418 WeakPolarHBondContact O-CB 3.17Å; Q415-S418 PolarHBondContact O-N 3.08Å; Q415-V419 WeakPolarHBondContact O-CG2 3.43Å; Q415-V419 PolarHBondContact O-N 3.33Å; Q415-H511 PolarHBondContact OE1-CE1 3.12Å; Q415-H511 PolarHBondContact OE1-NE2 3.12Å; Q415-H511 VanDerWaalsContact OE1-NE2 3.15Å; Q415-W565 HydrophobicContact CB-CH2 3.75Å; Q415-W565 HydrophobicContact CB-CZ2 4.38Å
416	H	98	Very high	95.1	Very high	2 Å²	2	30 Å²	30	1%	0.009	15%	0.15	C	C	.	.	H	α-helix	trans	-57.9	-47.3	174.8	-79.5	-85.8	0	0	0	111.8	R412 D413 S418 V419 L420 W464 E510 W565 Y604	R412-H416 PolarHBondContact O-CD2 2.89Å; R412-H416 PolarHBondContact O-N 3.23Å; D413-H416 PolarHBondContact O-N 3.46Å; H416-S418 VanDerWaalsContact C-N 3.32Å; H416-S418 PolarHBondContact O-N 3.3Å; H416-V419 PolarHBondContact O-N 3.32Å; H416-L420 WeakPolarHBondContact O-CB 3.34Å; H416-L420 WeakPolarHBondContact O-CG 3.48Å; H416-L420 PolarHBondContact O-N 3.08Å; H416-W464 HydrophobicContact CB-CH2 3.94Å; H416-W464 HydrophobicContact CB-CZ2 3.68Å; H416-E510 IonicContact CE1-OE1 3.19Å; H416-E510 IonicContact NE2-OE1 3.39Å; H416-E510 PolarHBondContact NE2-OE1 2.75Å; H416-E510 VanDerWaalsContact NE2-OE1 3.08Å; H416-W565 AromaticContact CD2-CZ2 3.81Å; H416-W565 AromaticContact CE1-CE2 3.83Å; H416-W565 AromaticContact CE1-CZ2 3.65Å; H416-W565 AromaticContact CE1-NE1 3.45Å; H416-W565 PolarHBondContact CE1-NE1 3.38Å; H416-W565 AromaticContact CG-CZ2 3.79Å; H416-W565 AromaticContact ND1-CE2 3.8Å; H416-W565 AromaticContact ND1-CZ2 3.7Å; H416-W565 AromaticContact ND1-NE1 3.29Å; H416-W565 PolarHBondContact ND1-NE1 3.41Å; H416-W565 AromaticContact NE2-CZ2 3.72Å; H416-Y604 AromaticContact ND1-CE1 3.62Å; H416-Y604 AromaticContact ND1-CZ 3.57Å; H416-Y604 PolarHBondContact ND1-OH 3.26Å
417	L	97.7	Very high	94.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-57.4	-47.1	175.8	-73.7	173.7	0	0	0	110.6	L409 D413 Q415 V419 L420 T421 M457 M460 A461 W464	L409-L417 HydrophobicContact CD1-CD1 3.68Å; L409-L417 HydrophobicContact CD2-CD1 3.78Å; L409-L417 HydrophobicContact CG-CD1 4.38Å; D413-L417 WeakPolarHBondContact O-CB 3.47Å; D413-L417 VanDerWaalsContact O-CG 3.28Å; D413-L417 WeakPolarHBondContact O-CG 3.32Å; D413-L417 PolarHBondContact O-N 3.45Å; Q415-L417 PolarHBondContact O-N 3.34Å; L417-V419 PolarHBondContact O-N 2.64Å; L417-L420 PolarHBondContact O-N 3.5Å; L417-T421 WeakPolarHBondContact O-CB 3.41Å; L417-T421 WeakPolarHBondContact O-CG2 3.17Å; L417-T421 PolarHBondContact O-N 3.04Å; L417-T421 PolarHBondContact O-OG1 2.93Å; L417-M457 HydrophobicContact CB-CE 4.26Å; L417-M457 HydrophobicContact CB-CG 4.23Å; L417-M460 HydrophobicContact CD2-CB 3.86Å; L417-M460 HydrophobicContact CD2-CG 3.52Å; L417-M460 HydrophobicContact CD2-SD 3.64Å; L417-A461 HydrophobicContact CD1-CB 4.02Å; L417-W464 HydrophobicContact CD2-CD2 3.86Å; L417-W464 HydrophobicContact CD2-CE3 3.55Å; L417-W464 HydrophobicContact CD2-CG 4.38Å; L417-W464 HydrophobicContact CD2-CZ3 3.9Å; L417-W464 HydrophobicContact CG-CD2 4.29Å; L417-W464 HydrophobicContact CG-CE3 4.39Å
418	S	97.7	Very high	94.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-55.2	-50.2	177.4	-58.6	0	0	0	0	112	F399 M414 Q415 H416 L420 S422	F399-S418 VanDerWaalsContact CE1-OG 3.31Å; F399-S418 WeakPolarHBondContact CE1-OG 3.47Å; M414-S418 WeakPolarHBondContact O-CB 3.37Å; M414-S418 PolarHBondContact O-N 2.93Å; M414-S418 PolarHBondContact O-OG 2.97Å; Q415-S418 WeakPolarHBondContact O-CB 3.17Å; Q415-S418 PolarHBondContact O-N 3.08Å; H416-S418 VanDerWaalsContact C-N 3.32Å; H416-S418 PolarHBondContact O-N 3.3Å; S418-L420 VanDerWaalsContact C-N 3.33Å; S418-L420 PolarHBondContact O-N 2.95Å; S418-S422 WeakPolarHBondContact O-CB 3.5Å; S418-S422 PolarHBondContact O-N 3.12Å; S418-S422 PolarHBondContact O-OG 3.46Å
419	V	97.1	Very high	93.5	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-56.7	-47.2	177.4	172.6	0	0	0	0	111.6	L356 Q415 H416 L417 L441 Y449 W565 K615	L356-V419 HydrophobicContact CD1-CG2 3.56Å; L356-V419 HydrophobicContact CD2-CG2 4.46Å; L356-V419 HydrophobicContact CG-CG2 4.1Å; Q415-V419 WeakPolarHBondContact O-CG2 3.43Å; Q415-V419 PolarHBondContact O-N 3.33Å; H416-V419 PolarHBondContact O-N 3.32Å; L417-V419 PolarHBondContact O-N 2.64Å; V419-L441 HydrophobicContact CG1-CD1 3.96Å; V419-Y449 HydrophobicContact CB-CD2 4.21Å; V419-Y449 HydrophobicContact CB-CE2 4.45Å; V419-Y449 HydrophobicContact CB-CG 4.32Å; V419-Y449 HydrophobicContact CG1-CD1 3.81Å; V419-Y449 HydrophobicContact CG1-CD2 4.03Å; V419-Y449 HydrophobicContact CG1-CE1 3.78Å; V419-Y449 HydrophobicContact CG1-CE2 4.01Å; V419-Y449 HydrophobicContact CG1-CG 3.93Å; V419-Y449 HydrophobicContact CG2-CD2 3.72Å; V419-Y449 HydrophobicContact CG2-CE2 3.78Å; V419-Y449 HydrophobicContact CG2-CG 4.33Å; V419-W565 HydrophobicContact CG1-CG 4.23Å; V419-W565 HydrophobicContact CG2-CD2 3.88Å; V419-W565 HydrophobicContact CG2-CE3 4.05Å; V419-W565 HydrophobicContact CG2-CG 4.27Å; V419-W565 HydrophobicContact CG2-CZ2 4.49Å; V419-W565 HydrophobicContact CG2-CZ3 4.45Å; V419-K615 WeakPolarHBondContact O-CD 3.18Å; V419-K615 PolarHBondContact O-NZ 3.08Å
420	L	95.6	Very high	92.5	Very high	8 Å²	8	34.4 Å²	34.4	4%	0.042	16%	0.161	C	C	.	.	H	α-helix	trans	-78.6	-29	-171.7	-66.4	175.9	0	0	0	113.9	H416 L417 S418 M460 W464 Y604 K615 L616	H416-L420 WeakPolarHBondContact O-CB 3.34Å; H416-L420 WeakPolarHBondContact O-CG 3.48Å; H416-L420 PolarHBondContact O-N 3.08Å; L417-L420 PolarHBondContact O-N 3.5Å; S418-L420 VanDerWaalsContact C-N 3.33Å; S418-L420 PolarHBondContact O-N 2.95Å; L420-M460 HydrophobicContact CB-CE 4.28Å; L420-M460 HydrophobicContact CB-SD 4.04Å; L420-M460 HydrophobicContact CD1-SD 4.13Å; L420-W464 HydrophobicContact CD1-CH2 3.6Å; L420-W464 HydrophobicContact CD1-CZ3 3.76Å; L420-Y604 HydrophobicContact CD1-CD1 4.26Å; L420-Y604 HydrophobicContact CD1-CE1 3.72Å; L420-Y604 HydrophobicContact CD2-CE2 4.41Å; L420-K615 HydrophobicContact CD2-CB 4.03Å; L420-L616 HydrophobicContact CD1-CB 4.46Å; L420-L616 HydrophobicContact CD1-CD1 3.98Å; L420-L616 HydrophobicContact CD2-CB 4.43Å
421	T	95.3	Very high	91.8	Very high	11 Å²	11	38.5 Å²	38.5	7%	0.067	19%	0.185	C	C	.	.	H	α-helix	trans	-101.4	-21.7	-174.1	65	0	0	0	0	112.8	L417 M457 M460	L417-T421 WeakPolarHBondContact O-CB 3.41Å; L417-T421 WeakPolarHBondContact O-CG2 3.17Å; L417-T421 PolarHBondContact O-N 3.04Å; L417-T421 PolarHBondContact O-OG1 2.93Å; T421-M457 HydrophobicContact CG2-CB 4.38Å; T421-M457 WeakPolarHBondContact OG1-CE 3.22Å; T421-M460 HydrophobicContact CG2-CB 4.18Å; T421-M460 HydrophobicContact CG2-CE 3.73Å; T421-M460 HydrophobicContact CG2-SD 3.73Å
422	S	95.5	Very high	91.2	Very high	5 Å²	5	39.6 Å²	39.6	4%	0.035	19%	0.191	C	C	.	.			trans	-57.2	140.3	177.8	-78.3	0	0	0	0	112.7	S418 Y449 G450 V451 K615	S418-S422 WeakPolarHBondContact O-CB 3.5Å; S418-S422 PolarHBondContact O-N 3.12Å; S418-S422 PolarHBondContact O-OG 3.46Å; S422-Y449 WeakPolarHBondContact CB-O 3.49Å; S422-G450 WeakPolarHBondContact CB-O 3.27Å; S422-G450 PolarHBondContact OG-O 3.48Å; S422-V451 CarbonylContact C-O 3.55Å; S422-V451 VanDerWaalsContact CA-O 3.29Å; S422-V451 WeakPolarHBondContact CA-O 3.07Å; S422-K615 WeakPolarHBondContact O-CE 3.23Å; S422-K615 PolarHBondContact O-NZ 2.85Å
423	K	90.4	Very high	90.7	Very high	81 Å²	81	45.1 Å²	45.1	35%	0.352	22%	0.218	S	C	.	.	B	Isolated β-bridge	trans	-112.3	130.5	-174.5	-75.6	175.1	170.3	164	0	111.5	N425 G450 V451 D453	K423-N425 VanDerWaalsContact C-N 3.34Å; K423-G450 CarbonylContact O-C 3.55Å; K423-G450 WeakPolarHBondContact O-CA 3.11Å; K423-V451 PolarHBondContact N-O 2.88Å; K423-V451 PolarHBondContact O-N 3.45Å; K423-D453 HydrophobicContact CD-CB 4.11Å; K423-D453 WeakPolarHBondContact CE-OD2 3.18Å; K423-D453 HydrophobicContact CG-CB 4.43Å; K423-D453 IonicContact NZ-OD1 3.72Å; K423-D453 IonicContact NZ-OD2 3.7Å; K423-D453 PolarHBondContact NZ-OD2 3.36Å
424	R	88.7	Confident	90.4	Very high	96 Å²	96	46.8 Å²	46.8	36%	0.362	22%	0.224	S	C	.	.			trans	-74.9	-22.6	168.5	169.5	179.2	176.5	-160.6	1.1	113.4	Q426 L427 W434 E442	R424-Q426 PolarHBondContact O-N 2.87Å; R424-L427 VanDerWaalsContact O-CB 3.22Å; R424-L427 WeakPolarHBondContact O-CB 3.49Å; R424-L427 WeakPolarHBondContact O-CG 3.26Å; R424-L427 PolarHBondContact O-N 2.74Å; R424-W434 HydrophobicContact CB-CE3 4.3Å; R424-W434 HydrophobicContact CB-CH2 3.92Å; R424-W434 HydrophobicContact CB-CZ2 4.14Å; R424-W434 HydrophobicContact CB-CZ3 4.01Å; R424-W434 VanDerWaalsContact CD-CD2 3.45Å; R424-W434 HydrophobicContact CG-CD2 3.74Å; R424-W434 HydrophobicContact CG-CE3 4Å; R424-W434 HydrophobicContact CG-CG 4.36Å; R424-W434 HydrophobicContact CG-CH2 4.01Å; R424-W434 HydrophobicContact CG-CZ2 3.75Å; R424-W434 HydrophobicContact CG-CZ3 4.13Å; R424-E442 WeakPolarHBondContact CD-OE2 3.3Å; R424-E442 IonicContact CZ-OE2 2.89Å; R424-E442 IonicContact NE-OE2 3.41Å; R424-E442 IonicContact NH1-OE1 3.09Å; R424-E442 PolarHBondContact NH1-OE1 2.94Å; R424-E442 VanDerWaalsContact NH1-OE1 3.09Å; R424-E442 IonicContact NH1-OE2 3.64Å; R424-E442 PolarHBondContact NH1-OE2 3.28Å
425	N	79.3	Confident	90.2	Very high	94 Å²	94	49.9 Å²	49.9	50%	0.503	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	127.9	-163.5	-70.8	-20	0	0	0	112.2	K423 L427	K423-N425 VanDerWaalsContact C-N 3.34Å; N425-L427 PolarHBondContact O-N 3.05Å
426	Q	82.9	Confident	90	Very high	76 Å²	76	57.5 Å²	57.5	36%	0.355	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	69	12.1	178.4	-40.7	-172.9	89.1	0	0	114.3	T145 P146 L148 G343 R424 H428	T145-Q426 HydrophobicContact CG2-CB 4.43Å; P146-Q426 PolarHBondContact O-NE2 2.88Å; L148-Q426 HydrophobicContact CD1-CB 4.42Å; G343-Q426 WeakPolarHBondContact CA-O 3.3Å; R424-Q426 PolarHBondContact O-N 2.87Å; Q426-H428 PolarHBondContact O-CD2 3.19Å; Q426-H428 VanDerWaalsContact O-CD2 3.23Å
427	L	87.8	Confident	89.9	Confident	9 Å²	9	57.9 Å²	57.9	5%	0.047	27%	0.267	C	S	.	.			trans	-89.1	132.6	169.8	-57.8	178.1	0	0	0	111.6	L148 A339 G343 R424 N425 W434 F447 V451	L148-L427 HydrophobicContact CD1-CD2 4.16Å; A339-L427 HydrophobicContact CB-CD2 4.1Å; G343-L427 CarbonylContact O-C 3.6Å; G343-L427 VanDerWaalsContact O-CA 3.25Å; G343-L427 WeakPolarHBondContact O-CA 3.44Å; R424-L427 VanDerWaalsContact O-CB 3.22Å; R424-L427 WeakPolarHBondContact O-CB 3.49Å; R424-L427 WeakPolarHBondContact O-CG 3.26Å; R424-L427 PolarHBondContact O-N 2.74Å; N425-L427 PolarHBondContact O-N 3.05Å; L427-W434 HydrophobicContact CB-CZ2 3.87Å; L427-W434 HydrophobicContact CD1-CH2 4.18Å; L427-W434 HydrophobicContact CD1-CZ2 3.87Å; L427-F447 HydrophobicContact CB-CD2 4.19Å; L427-F447 HydrophobicContact CB-CE2 4.04Å; L427-F447 HydrophobicContact CB-CZ 4.35Å; L427-F447 HydrophobicContact CD1-CB 4.19Å; L427-F447 HydrophobicContact CD1-CD1 4.17Å; L427-F447 HydrophobicContact CD1-CD2 4.37Å; L427-F447 HydrophobicContact CD1-CG 4Å; L427-F447 HydrophobicContact CD2-CE1 4.22Å; L427-F447 HydrophobicContact CD2-CZ 4.33Å; L427-V451 HydrophobicContact CD1-CB 4.43Å; L427-V451 HydrophobicContact CD1-CG2 3.86Å; L427-V451 HydrophobicContact CD2-CG2 3.84Å; L427-V451 HydrophobicContact CG-CG2 4.4Å
428	H	86.3	Confident	89.6	Confident	103 Å²	103	59 Å²	59	48%	0.477	28%	0.278	S	S	.	.			trans	-124.1	111.2	-173.2	-63.9	-72.1	0	0	0	110	G343 R344 Q426	G343-H428 PolarHBondContact O-N 3.39Å; R344-H428 HydrophobicContact CG-CB 4.23Å; Q426-H428 PolarHBondContact O-CD2 3.19Å; Q426-H428 VanDerWaalsContact O-CD2 3.23Å
429	D	85	Confident	89.3	Confident	18 Å²	18	59.4 Å²	59.4	10%	0.096	28%	0.281	C	S	.	.			trans	-124.5	117.8	169.9	172.3	31	0	0	0	109.4	V431 H432 Q433 N444 F447	D429-V431 WeakPolarHBondContact OD1-CA 3.27Å; D429-V431 WeakPolarHBondContact OD1-CB 3.44Å; D429-V431 PolarHBondContact OD1-N 3.24Å; D429-H432 PolarHBondContact OD1-N 3.44Å; D429-H432 VanDerWaalsContact OD2-CA 3.27Å; D429-H432 WeakPolarHBondContact OD2-CA 3.39Å; D429-H432 VanDerWaalsContact OD2-CB 3.26Å; D429-H432 WeakPolarHBondContact OD2-CB 3.28Å; D429-H432 PolarHBondContact OD2-N 3.41Å; D429-Q433 PolarHBondContact OD2-N 2.9Å; D429-N444 PolarHBondContact OD2-ND2 2.9Å; D429-F447 HydrophobicContact CB-CD2 4.37Å; D429-F447 HydrophobicContact CB-CE2 4.02Å
430	E	77.6	Confident	89	Confident	155 Å²	155	60.4 Å²	60.4	72%	0.724	29%	0.291	S	S	*	.	S	Bend	trans	-93.1	-11.4	177.9	-64.9	178	-168.8	0	0	112.1
431	V	82.9	Confident	88.9	Confident	112 Å²	112	60 Å²	60	68%	0.679	29%	0.289	S	S	*	.	S	Bend	trans	-93.5	-58.5	-172.4	-176.3	0	0	0	0	111.9	D429	D429-V431 WeakPolarHBondContact OD1-CA 3.27Å; D429-V431 WeakPolarHBondContact OD1-CB 3.44Å; D429-V431 PolarHBondContact OD1-N 3.24Å
432	H	83.9	Confident	88.9	Confident	42 Å²	42	61.5 Å²	61.5	19%	0.194	30%	0.295	C	S	.	.	S	Bend	trans	-98.9	-20.8	-175.2	-59.8	-82.4	0	0	0	113.3	D429 H445	D429-H432 PolarHBondContact OD1-N 3.44Å; D429-H432 VanDerWaalsContact OD2-CA 3.27Å; D429-H432 WeakPolarHBondContact OD2-CA 3.39Å; D429-H432 VanDerWaalsContact OD2-CB 3.26Å; D429-H432 WeakPolarHBondContact OD2-CB 3.28Å; D429-H432 PolarHBondContact OD2-N 3.41Å; H432-H445 HydrophobicContact CB-CB 3.89Å; H432-H445 AromaticContact CE1-CD2 3.66Å; H432-H445 AromaticContact ND1-CD2 3.67Å
433	Q	88.3	Confident	88.8	Confident	133 Å²	133	61.4 Å²	61.4	62%	0.621	29%	0.294	S	S	*	.			trans	61.4	157.5	-177.9	-54	-178.6	-31.4	0	0	113	D429 N444	D429-Q433 PolarHBondContact OD2-N 2.9Å; Q433-N444 PolarHBondContact O-ND2 3.32Å
434	W	92.1	Very high	89	Confident	36 Å²	36	57.5 Å²	57.5	14%	0.136	28%	0.277	C	S	.	.			trans	-79	133	175.6	-73	85.4	0	0	0	110.4	R424 L427 E442 N444 F447	R424-W434 HydrophobicContact CB-CE3 4.3Å; R424-W434 HydrophobicContact CB-CH2 3.92Å; R424-W434 HydrophobicContact CB-CZ2 4.14Å; R424-W434 HydrophobicContact CB-CZ3 4.01Å; R424-W434 VanDerWaalsContact CD-CD2 3.45Å; R424-W434 HydrophobicContact CG-CD2 3.74Å; R424-W434 HydrophobicContact CG-CE3 4Å; R424-W434 HydrophobicContact CG-CG 4.36Å; R424-W434 HydrophobicContact CG-CH2 4.01Å; R424-W434 HydrophobicContact CG-CZ2 3.75Å; R424-W434 HydrophobicContact CG-CZ3 4.13Å; L427-W434 HydrophobicContact CB-CZ2 3.87Å; L427-W434 HydrophobicContact CD1-CH2 4.18Å; L427-W434 HydrophobicContact CD1-CZ2 3.87Å; W434-E442 HydrophobicContact CE3-CB 4.28Å; W434-N444 HydrophobicContact CD2-CB 3.79Å; W434-N444 HydrophobicContact CE3-CB 3.74Å; W434-N444 HydrophobicContact CG-CB 4.47Å; W434-N444 HydrophobicContact CH2-CB 3.87Å; W434-N444 HydrophobicContact CZ2-CB 3.92Å; W434-N444 HydrophobicContact CZ3-CB 3.79Å; W434-F447 HydrophobicContact CH2-CB 3.81Å; W434-F447 HydrophobicContact CZ2-CB 3.85Å; W434-F447 AromaticContact CZ2-CD2 3.75Å; W434-F447 HydrophobicContact CZ2-CD2 3.75Å; W434-F447 HydrophobicContact CZ2-CG 4.14Å
435	R	94	Very high	89.2	Confident	64 Å²	64	53 Å²	53	24%	0.242	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	158.8	177.6	-69.6	-178.2	-74.1	173	2.2	110	E442 F443 K537	R435-E442 CarbonylContact O-C 3.49Å; R435-E442 VanDerWaalsContact O-CA 3.29Å; R435-E442 WeakPolarHBondContact O-CA 3.24Å; R435-F443 HydrophobicContact CB-CE1 3.93Å; R435-F443 HydrophobicContact CB-CE2 4.16Å; R435-F443 HydrophobicContact CB-CZ 3.73Å; R435-F443 PolarHBondContact N-O 3.36Å; R435-F443 PolarHBondContact O-N 3.12Å; R435-K537 VanDerWaalsContact CZ-O 3.27Å; R435-K537 PolarHBondContact NH1-O 3.47Å; R435-K537 PolarHBondContact NH2-O 3.22Å
436	R	94.4	Very high	89.7	Confident	163 Å²	163	49 Å²	49	62%	0.615	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.3	136.7	171.6	-75.2	-179.3	-173	-166.1	-3.1	109	L441 E442	R436-L441 VanDerWaalsContact CA-O 3.31Å; R436-L441 WeakPolarHBondContact CA-O 2.91Å; R436-E442 HydrophobicContact CG-CG 3.53Å; R436-E442 IonicContact CZ-OE1 2.67Å; R436-E442 VanDerWaalsContact CZ-OE1 3.29Å; R436-E442 IonicContact NE-OE1 3.95Å; R436-E442 PolarHBondContact NE-OE1 2.7Å; R436-E442 IonicContact NH2-OE1 3.41Å; R436-E442 PolarHBondContact NH2-OE1 3.27Å
437	N	95.4	Very high	90.3	Very high	9 Å²	9	45.4 Å²	45.4	5%	0.048	22%	0.222	C	C	.	.			trans	-83.3	-178.9	174.5	81.8	-8.2	0	0	0	111.1	V439 G440 L441 F443 T536 H563 W565 E567	N437-V439 PolarHBondContact O-N 3.04Å; N437-V439 WeakPolarHBondContact OD1-CG2 3.42Å; N437-V439 PolarHBondContact OD1-N 3.34Å; N437-G440 PolarHBondContact O-N 3.08Å; N437-G440 PolarHBondContact OD1-N 3.1Å; N437-L441 PolarHBondContact N-O 3.14Å; N437-L441 WeakPolarHBondContact OD1-CB 3.41Å; N437-L441 PolarHBondContact OD1-N 2.85Å; N437-F443 HydrophobicContact CB-CD1 3.96Å; N437-F443 HydrophobicContact CB-CE1 3.79Å; N437-T536 VanDerWaalsContact CA-OG1 3.24Å; N437-T536 WeakPolarHBondContact CA-OG1 3.15Å; N437-T536 HydrophobicContact CB-CG2 4.01Å; N437-H563 WeakPolarHBondContact CB-O 3.27Å; N437-H563 PolarHBondContact ND2-O 3.42Å; N437-W565 PolarHBondContact ND2-O 2.62Å; N437-E567 VanDerWaalsContact CB-OE1 3.3Å; N437-E567 WeakPolarHBondContact CB-OE1 3.44Å
438	G	91.6	Very high	90.6	Very high	24 Å²	24	45 Å²	45	25%	0.247	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-30.1	-175.6	0	0	0	0	0	114.1	M534 T536 E567	G438-M534 WeakPolarHBondContact O-CE 3.46Å; G438-T536 PolarHBondContact N-OG1 3.22Å; G438-E567 PolarHBondContact N-OE1 3.25Å
439	V	91.8	Very high	91.1	Very high	8 Å²	8	40.2 Å²	40.2	5%	0.048	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	10.9	178.6	-56.1	0	0	0	0	113.3	N437 L441 W565 G566 E567 E622	N437-V439 PolarHBondContact O-N 3.04Å; N437-V439 WeakPolarHBondContact OD1-CG2 3.42Å; N437-V439 PolarHBondContact OD1-N 3.34Å; V439-L441 HydrophobicContact CG2-CD1 3.88Å; V439-L441 HydrophobicContact CG2-CG 3.88Å; V439-W565 WeakPolarHBondContact CG2-O 3.49Å; V439-G566 VanDerWaalsContact CG1-O 3.31Å; V439-G566 WeakPolarHBondContact CG1-O 3.04Å; V439-E567 HydrophobicContact CG1-CG 4.22Å; V439-E622 HydrophobicContact CB-CB 4.47Å; V439-E622 HydrophobicContact CB-CG 4.31Å; V439-E622 HydrophobicContact CG1-CG 4Å
440	G	90.6	Very high	91.6	Very high	21 Å²	21	39.3 Å²	39.3	22%	0.216	19%	0.193	C	C	.	.	S	Bend	trans	82.6	6.9	175.1	0	0	0	0	0	115.8	N437	N437-G440 PolarHBondContact O-N 3.08Å; N437-G440 PolarHBondContact OD1-N 3.1Å
441	L	93.7	Very high	92.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.161	C	C	.	.			trans	-74	130.3	175.7	-62.4	173	0	0	0	110.7	V419 R436 N437 V439 Y449 K615	V419-L441 HydrophobicContact CG1-CD1 3.96Å; R436-L441 VanDerWaalsContact CA-O 3.31Å; R436-L441 WeakPolarHBondContact CA-O 2.91Å; N437-L441 PolarHBondContact N-O 3.14Å; N437-L441 WeakPolarHBondContact OD1-CB 3.41Å; N437-L441 PolarHBondContact OD1-N 2.85Å; V439-L441 HydrophobicContact CG2-CD1 3.88Å; V439-L441 HydrophobicContact CG2-CG 3.88Å; L441-Y449 HydrophobicContact CB-CD1 4.39Å; L441-Y449 HydrophobicContact CB-CE1 3.84Å; L441-Y449 HydrophobicContact CD1-CE1 4.13Å; L441-K615 HydrophobicContact CD2-CB 3.52Å; L441-K615 HydrophobicContact CD2-CD 4.04Å; L441-K615 HydrophobicContact CD2-CG 3.68Å
442	E	93.7	Very high	93.1	Very high	43 Å²	43	27 Å²	27	20%	0.201	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	127.9	174.5	-70.6	-172.3	159.3	0	0	110.9	R424 W434 R435 R436 Y449	R424-E442 WeakPolarHBondContact CD-OE2 3.3Å; R424-E442 IonicContact CZ-OE2 2.89Å; R424-E442 IonicContact NE-OE2 3.41Å; R424-E442 IonicContact NH1-OE1 3.09Å; R424-E442 PolarHBondContact NH1-OE1 2.94Å; R424-E442 VanDerWaalsContact NH1-OE1 3.09Å; R424-E442 IonicContact NH1-OE2 3.64Å; R424-E442 PolarHBondContact NH1-OE2 3.28Å; W434-E442 HydrophobicContact CE3-CB 4.28Å; R435-E442 CarbonylContact O-C 3.49Å; R435-E442 VanDerWaalsContact O-CA 3.29Å; R435-E442 WeakPolarHBondContact O-CA 3.24Å; R436-E442 HydrophobicContact CG-CG 3.53Å; R436-E442 IonicContact CZ-OE1 2.67Å; R436-E442 VanDerWaalsContact CZ-OE1 3.29Å; R436-E442 IonicContact NE-OE1 3.95Å; R436-E442 PolarHBondContact NE-OE1 2.7Å; R436-E442 IonicContact NH2-OE1 3.41Å; R436-E442 PolarHBondContact NH2-OE1 3.27Å; E442-Y449 WeakPolarHBondContact O-CD1 3.38Å
443	F	95.1	Very high	93.6	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.009	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	161.8	177	72.4	-89.3	0	0	0	111.2	R435 N437 G448 Y449 T536 H563	R435-F443 HydrophobicContact CB-CE1 3.93Å; R435-F443 HydrophobicContact CB-CE2 4.16Å; R435-F443 HydrophobicContact CB-CZ 3.73Å; R435-F443 PolarHBondContact N-O 3.36Å; R435-F443 PolarHBondContact O-N 3.12Å; N437-F443 HydrophobicContact CB-CD1 3.96Å; N437-F443 HydrophobicContact CB-CE1 3.79Å; F443-G448 CarbonylContact C-O 3.58Å; F443-G448 VanDerWaalsContact CA-O 3.32Å; F443-G448 WeakPolarHBondContact CA-O 3.05Å; F443-Y449 HydrophobicContact CB-CD1 4.22Å; F443-Y449 HydrophobicContact CB-CE1 4.06Å; F443-T536 HydrophobicContact CE1-CG2 3.83Å; F443-T536 HydrophobicContact CZ-CG2 3.79Å; F443-H563 HydrophobicContact CD1-CB 4.29Å; F443-H563 HydrophobicContact CD2-CB 3.75Å; F443-H563 AromaticContact CD2-CD2 3.31Å; F443-H563 WeakPolarHBondContact CD2-CD2 3.26Å; F443-H563 AromaticContact CD2-CE1 3.99Å; F443-H563 AromaticContact CD2-CG 3.37Å; F443-H563 AromaticContact CD2-ND1 3.82Å; F443-H563 AromaticContact CD2-NE2 3.71Å; F443-H563 HydrophobicContact CE1-CB 4.17Å; F443-H563 HydrophobicContact CE2-CB 3.62Å; F443-H563 AromaticContact CE2-CD2 3.77Å; F443-H563 AromaticContact CE2-CE1 3.85Å; F443-H563 AromaticContact CE2-CG 3.36Å; F443-H563 AromaticContact CE2-ND1 3.43Å; F443-H563 WeakPolarHBondContact CE2-ND1 3.3Å; F443-H563 HydrophobicContact CG-CB 4.09Å; F443-H563 HydrophobicContact CZ-CB 3.83Å
444	N	94.6	Very high	94	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-142.9	150.2	176.2	-179.8	-94.7	0	0	0	109.9	D429 Q433 W434 L446 F447 G448	D429-N444 PolarHBondContact OD2-ND2 2.9Å; Q433-N444 PolarHBondContact O-ND2 3.32Å; W434-N444 HydrophobicContact CD2-CB 3.79Å; W434-N444 HydrophobicContact CE3-CB 3.74Å; W434-N444 HydrophobicContact CG-CB 4.47Å; W434-N444 HydrophobicContact CH2-CB 3.87Å; W434-N444 HydrophobicContact CZ2-CB 3.92Å; W434-N444 HydrophobicContact CZ3-CB 3.79Å; N444-L446 VanDerWaalsContact C-N 3.31Å; N444-L446 PolarHBondContact O-N 3.07Å; N444-L446 WeakPolarHBondContact OD1-CA 3.42Å; N444-L446 WeakPolarHBondContact OD1-CB 3.28Å; N444-L446 PolarHBondContact OD1-N 2.79Å; N444-F447 HydrophobicContact CB-CB 4.21Å; N444-F447 PolarHBondContact OD1-N 3.43Å; N444-G448 PolarHBondContact N-O 3.1Å; N444-G448 VanDerWaalsContact O-CA 3.24Å; N444-G448 WeakPolarHBondContact O-CA 3.38Å; N444-G448 PolarHBondContact O-N 3.36Å
445	H	91.4	Very high	94.1	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-20.1	-175.2	-161.9	45.4	0	0	0	114	S351 C352 S353 H432 I539 H563	S351-H445 VanDerWaalsContact CB-CD2 3.48Å; S351-H445 WeakPolarHBondContact CB-CD2 3.37Å; C352-H445 WeakPolarHBondContact CA-CE1 3.47Å; C352-H445 PolarHBondContact N-O 3.04Å; C352-H445 PolarHBondContact O-ND1 3.07Å; C352-H445 VanDerWaalsContact O-ND1 3.14Å; C352-H445 VanDerWaalsContact O-O 3.05Å; S353-H445 PolarHBondContact N-CE1 3.43Å; S353-H445 PolarHBondContact N-ND1 2.9Å; H432-H445 HydrophobicContact CB-CB 3.89Å; H432-H445 AromaticContact CE1-CD2 3.66Å; H432-H445 AromaticContact ND1-CD2 3.67Å; H445-I539 PolarHBondContact CE1-O 3.26Å; H445-H563 AromaticContact ND1-CE1 3.66Å
446	L	91.3	Very high	94	Very high	12 Å²	12	15.2 Å²	15.2	6%	0.063	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-49	173.7	-72.9	161.4	0	0	0	109.8	N337 T345 D349 N444 G448	N337-L446 VanDerWaalsContact CB-O 3.3Å; N337-L446 WeakPolarHBondContact CB-O 3.46Å; N337-L446 PolarHBondContact ND2-O 3.27Å; T345-L446 HydrophobicContact CG2-CB 3.83Å; T345-L446 HydrophobicContact CG2-CD1 3.71Å; T345-L446 HydrophobicContact CG2-CG 4.24Å; D349-L446 HydrophobicContact CB-CD2 4.25Å; N444-L446 VanDerWaalsContact C-N 3.31Å; N444-L446 PolarHBondContact O-N 3.07Å; N444-L446 WeakPolarHBondContact OD1-CA 3.42Å; N444-L446 WeakPolarHBondContact OD1-CB 3.28Å; N444-L446 PolarHBondContact OD1-N 2.79Å; L446-G448 PolarHBondContact O-N 2.96Å
447	F	94.1	Very high	94.1	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	0.7	-172.9	-62.2	-63.3	0	0	0	116.1	A339 T345 S358 L427 D429 W434 N444 Y449 G450	A339-F447 HydrophobicContact CB-CD1 4.29Å; A339-F447 HydrophobicContact CB-CE1 3.7Å; T345-F447 HydrophobicContact CG2-CD1 4.45Å; T345-F447 HydrophobicContact CG2-CD2 4.35Å; T345-F447 HydrophobicContact CG2-CE1 3.67Å; T345-F447 HydrophobicContact CG2-CE2 3.56Å; T345-F447 HydrophobicContact CG2-CZ 3.19Å; S358-F447 VanDerWaalsContact OG-CA 3.27Å; S358-F447 WeakPolarHBondContact OG-CA 3.24Å; S358-F447 PolarHBondContact OG-O 3.3Å; L427-F447 HydrophobicContact CB-CD2 4.19Å; L427-F447 HydrophobicContact CB-CE2 4.04Å; L427-F447 HydrophobicContact CB-CZ 4.35Å; L427-F447 HydrophobicContact CD1-CB 4.19Å; L427-F447 HydrophobicContact CD1-CD1 4.17Å; L427-F447 HydrophobicContact CD1-CD2 4.37Å; L427-F447 HydrophobicContact CD1-CG 4Å; L427-F447 HydrophobicContact CD2-CE1 4.22Å; L427-F447 HydrophobicContact CD2-CZ 4.33Å; D429-F447 HydrophobicContact CB-CD2 4.37Å; D429-F447 HydrophobicContact CB-CE2 4.02Å; W434-F447 HydrophobicContact CH2-CB 3.81Å; W434-F447 HydrophobicContact CZ2-CB 3.85Å; W434-F447 AromaticContact CZ2-CD2 3.75Å; W434-F447 HydrophobicContact CZ2-CD2 3.75Å; W434-F447 HydrophobicContact CZ2-CG 4.14Å; N444-F447 HydrophobicContact CB-CB 4.21Å; N444-F447 PolarHBondContact OD1-N 3.43Å; F447-Y449 PolarHBondContact O-N 2.75Å; F447-G450 WeakPolarHBondContact O-CA 3.19Å; F447-G450 PolarHBondContact O-N 2.78Å
448	G	95.4	Very high	94.2	Very high	1 Å²	1	7.1 Å²	7.1	1%	0.01	5%	0.052	C	C	.	.	B	Isolated β-bridge	trans	53.6	-127	-168.6	0	0	0	0	0	111.1	T355 F443 N444 L446 G450	T355-G448 WeakPolarHBondContact O-CA 3.41Å; F443-G448 CarbonylContact C-O 3.58Å; F443-G448 VanDerWaalsContact CA-O 3.32Å; F443-G448 WeakPolarHBondContact CA-O 3.05Å; N444-G448 PolarHBondContact N-O 3.1Å; N444-G448 VanDerWaalsContact O-CA 3.24Å; N444-G448 WeakPolarHBondContact O-CA 3.38Å; N444-G448 PolarHBondContact O-N 3.36Å; L446-G448 PolarHBondContact O-N 2.96Å; G448-G450 VanDerWaalsContact C-N 3.29Å; G448-G450 PolarHBondContact O-N 2.84Å
449	Y	96.1	Very high	94.3	Very high	1 Å²	1	10.7 Å²	10.7	0%	0.004	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	1.6	175.8	-73.8	-81.8	0	0	0	114.5	L356 V419 S422 L441 E442 F443 F447 T562 H563 W565 K615	L356-Y449 HydrophobicContact CD1-CD2 4.26Å; L356-Y449 HydrophobicContact CD1-CE2 4.3Å; L356-Y449 WeakPolarHBondContact O-CD2 3.45Å; L356-Y449 PolarHBondContact O-N 3.15Å; V419-Y449 HydrophobicContact CB-CD2 4.21Å; V419-Y449 HydrophobicContact CB-CE2 4.45Å; V419-Y449 HydrophobicContact CB-CG 4.32Å; V419-Y449 HydrophobicContact CG1-CD1 3.81Å; V419-Y449 HydrophobicContact CG1-CD2 4.03Å; V419-Y449 HydrophobicContact CG1-CE1 3.78Å; V419-Y449 HydrophobicContact CG1-CE2 4.01Å; V419-Y449 HydrophobicContact CG1-CG 3.93Å; V419-Y449 HydrophobicContact CG2-CD2 3.72Å; V419-Y449 HydrophobicContact CG2-CE2 3.78Å; V419-Y449 HydrophobicContact CG2-CG 4.33Å; S422-Y449 WeakPolarHBondContact CB-O 3.49Å; L441-Y449 HydrophobicContact CB-CD1 4.39Å; L441-Y449 HydrophobicContact CB-CE1 3.84Å; L441-Y449 HydrophobicContact CD1-CE1 4.13Å; E442-Y449 WeakPolarHBondContact O-CD1 3.38Å; F443-Y449 HydrophobicContact CB-CD1 4.22Å; F443-Y449 HydrophobicContact CB-CE1 4.06Å; F447-Y449 PolarHBondContact O-N 2.75Å; Y449-T562 PolarHBondContact OH-O 3.21Å; Y449-H563 PolarHBondContact OH-O 2.88Å; Y449-W565 HydrophobicContact CE2-CB 4.49Å; Y449-W565 WeakPolarHBondContact OH-CB 3.07Å; Y449-K615 PolarHBondContact O-NZ 3.26Å
450	G	95.3	Very high	94.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.068	C	C	.	.			trans	115.1	-174.7	-179.4	0	0	0	0	0	113.6	A357 S358 S422 K423 F447 G448	A357-G450 WeakPolarHBondContact CA-O 3.31Å; S358-G450 PolarHBondContact N-O 3.32Å; S422-G450 WeakPolarHBondContact CB-O 3.27Å; S422-G450 PolarHBondContact OG-O 3.48Å; K423-G450 CarbonylContact O-C 3.55Å; K423-G450 WeakPolarHBondContact O-CA 3.11Å; F447-G450 WeakPolarHBondContact O-CA 3.19Å; F447-G450 PolarHBondContact O-N 2.78Å; G448-G450 VanDerWaalsContact C-N 3.29Å; G448-G450 PolarHBondContact O-N 2.84Å
451	V	95.2	Very high	94.8	Very high	7 Å²	7	11.1 Å²	11.1	4%	0.042	6%	0.057	C	C	.	.	B	Isolated β-bridge	trans	-74.8	138.1	180	168.4	0	0	0	0	111.1	L150 A339 S358 F360 S422 K423 L427	L150-V451 HydrophobicContact CD2-CG1 4.27Å; A339-V451 HydrophobicContact CB-CG2 3.93Å; S358-V451 CarbonylContact O-C 3.49Å; S358-V451 WeakPolarHBondContact O-CA 3.47Å; F360-V451 HydrophobicContact CE1-CG1 4.46Å; F360-V451 HydrophobicContact CE1-CG2 4.4Å; F360-V451 HydrophobicContact CE2-CG1 3.63Å; F360-V451 HydrophobicContact CZ-CG1 3.64Å; F360-V451 HydrophobicContact CZ-CG2 4.31Å; S422-V451 CarbonylContact C-O 3.55Å; S422-V451 VanDerWaalsContact CA-O 3.29Å; S422-V451 WeakPolarHBondContact CA-O 3.07Å; K423-V451 PolarHBondContact N-O 2.88Å; K423-V451 PolarHBondContact O-N 3.45Å; L427-V451 HydrophobicContact CD1-CB 4.43Å; L427-V451 HydrophobicContact CD1-CG2 3.86Å; L427-V451 HydrophobicContact CD2-CG2 3.84Å; L427-V451 HydrophobicContact CG-CG2 4.4Å
452	L	96.8	Very high	94.8	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	8%	0.08	C	C	.	.			trans	-59.1	143	177.1	-67.2	180	0	0	0	112.1	L150 I336 A357 S358 T359 A395 V398 F399 M457	L150-L452 HydrophobicContact CD2-CB 4.46Å; I336-L452 HydrophobicContact CD1-CD1 4.35Å; A357-L452 HydrophobicContact CB-CD2 3.71Å; A357-L452 HydrophobicContact CB-CG 4.08Å; S358-L452 PolarHBondContact O-N 2.84Å; T359-L452 HydrophobicContact CG2-CB 4.16Å; T359-L452 HydrophobicContact CG2-CD1 3.68Å; T359-L452 HydrophobicContact CG2-CG 4.03Å; A395-L452 HydrophobicContact CB-CD1 3.49Å; A395-L452 VanDerWaalsContact CB-CD1 3.49Å; V398-L452 HydrophobicContact CB-CD1 4.42Å; V398-L452 HydrophobicContact CG1-CB 4.49Å; F399-L452 HydrophobicContact CE1-CD1 3.83Å; F399-L452 HydrophobicContact CE1-CD2 4.2Å; F399-L452 HydrophobicContact CZ-CD1 3.94Å; L452-M457 HydrophobicContact CD2-CE 3.89Å
453	D	95.5	Very high	94.8	Very high	9 Å²	9	16.3 Å²	16.3	5%	0.048	9%	0.085	C	C	.	.			trans	-122.1	100.1	178.1	174.1	4.1	0	0	0	109.2	N151 K423 G455 G456 M457	N151-D453 VanDerWaalsContact CB-OD1 3.31Å; N151-D453 WeakPolarHBondContact CB-OD1 3.46Å; N151-D453 PolarHBondContact ND2-OD1 3.49Å; K423-D453 HydrophobicContact CD-CB 4.11Å; K423-D453 WeakPolarHBondContact CE-OD2 3.18Å; K423-D453 HydrophobicContact CG-CB 4.43Å; K423-D453 IonicContact NZ-OD1 3.72Å; K423-D453 IonicContact NZ-OD2 3.7Å; K423-D453 PolarHBondContact NZ-OD2 3.36Å; D453-G455 PolarHBondContact O-N 3.47Å; D453-G455 PolarHBondContact OD1-N 3.2Å; D453-G456 VanDerWaalsContact CG-N 3.34Å; D453-G456 PolarHBondContact O-N 2.66Å; D453-G456 PolarHBondContact OD1-N 3.41Å; D453-M457 WeakPolarHBondContact O-CB 3.43Å; D453-M457 PolarHBondContact O-N 3.14Å
454	A	96.3	Very high	94.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-60.5	-44.8	-177.4	0	0	0	0	0	112.5	L150 V152 A155 V398 L401 M457 V458	L150-A454 WeakPolarHBondContact O-CB 3.21Å; L150-A454 PolarHBondContact O-N 2.87Å; V152-A454 HydrophobicContact CB-CB 4.43Å; V152-A454 HydrophobicContact CG1-CB 3.81Å; A155-A454 HydrophobicContact CB-CB 4.23Å; V398-A454 HydrophobicContact CG1-CB 3.95Å; V398-A454 HydrophobicContact CG2-CB 4.07Å; L401-A454 HydrophobicContact CD1-CB 4.08Å; A454-M457 PolarHBondContact O-N 3.45Å; A454-V458 WeakPolarHBondContact O-CB 3.11Å; A454-V458 VanDerWaalsContact O-CG2 3.3Å; A454-V458 WeakPolarHBondContact O-CG2 3.28Å; A454-V458 PolarHBondContact O-N 3.07Å
455	G	93.4	Very high	94.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63.1	-43.7	178.1	0	0	0	0	0	112.6	N151 D453 K459	N151-G455 PolarHBondContact O-N 3.14Å; D453-G455 PolarHBondContact O-N 3.47Å; D453-G455 PolarHBondContact OD1-N 3.2Å; G455-K459 VanDerWaalsContact O-CG 3.25Å; G455-K459 WeakPolarHBondContact O-CG 3.47Å; G455-K459 PolarHBondContact O-N 2.66Å
456	G	93.1	Very high	95	Very high	19 Å²	19	25.4 Å²	25.4	20%	0.196	13%	0.13	C	C	.	.	H	α-helix	trans	-65.2	-43.9	175.4	0	0	0	0	0	112.6	D453 M460	D453-G456 VanDerWaalsContact CG-N 3.34Å; D453-G456 PolarHBondContact O-N 2.66Å; D453-G456 PolarHBondContact OD1-N 3.41Å; G456-M460 WeakPolarHBondContact O-CB 3.17Å; G456-M460 PolarHBondContact O-N 3.33Å; G456-M460 VanDerWaalsContact O-N 3.09Å
457	M	96.3	Very high	95.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.8	-48.2	-178.6	-173.1	171.8	-75.8	0	0	112.1	V398 F399 A402 M414 L417 T421 L452 D453 A454 K459 M460 A461	V398-M457 HydrophobicContact CG1-SD 3.9Å; F399-M457 HydrophobicContact CD1-CE 4.35Å; F399-M457 HydrophobicContact CD1-SD 3.79Å; F399-M457 HydrophobicContact CE1-CE 4Å; F399-M457 HydrophobicContact CE1-SD 4.06Å; A402-M457 HydrophobicContact CB-CG 3.81Å; A402-M457 HydrophobicContact CB-SD 3.97Å; M414-M457 HydrophobicContact SD-SD 4.1Å; L417-M457 HydrophobicContact CB-CE 4.26Å; L417-M457 HydrophobicContact CB-CG 4.23Å; T421-M457 HydrophobicContact CG2-CB 4.38Å; T421-M457 WeakPolarHBondContact OG1-CE 3.22Å; L452-M457 HydrophobicContact CD2-CE 3.89Å; D453-M457 WeakPolarHBondContact O-CB 3.43Å; D453-M457 PolarHBondContact O-N 3.14Å; A454-M457 PolarHBondContact O-N 3.45Å; M457-K459 PolarHBondContact O-N 3.12Å; M457-M460 PolarHBondContact O-N 3.2Å; M457-A461 WeakPolarHBondContact O-CB 3.08Å; M457-A461 PolarHBondContact O-N 3.15Å
458	V	96.7	Very high	95.3	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	14%	0.142	C	C	.	.	H	α-helix	trans	-61.4	-42.5	178.2	162.4	0	0	0	0	112.3	A155 L158 Y160 L401 A405 A454 M460 A461 N462	A155-V458 HydrophobicContact CB-CB 4.39Å; A155-V458 HydrophobicContact CB-CG2 3.96Å; L158-V458 HydrophobicContact CD1-CG1 4.23Å; Y160-V458 HydrophobicContact CD2-CB 4.47Å; Y160-V458 HydrophobicContact CD2-CG1 3.09Å; Y160-V458 HydrophobicContact CE2-CG1 3.32Å; Y160-V458 HydrophobicContact CG-CG1 3.72Å; L401-V458 HydrophobicContact CB-CG2 3.77Å; A405-V458 HydrophobicContact CB-CG1 4.01Å; A454-V458 WeakPolarHBondContact O-CB 3.11Å; A454-V458 VanDerWaalsContact O-CG2 3.3Å; A454-V458 WeakPolarHBondContact O-CG2 3.28Å; A454-V458 PolarHBondContact O-N 3.07Å; V458-M460 VanDerWaalsContact C-N 3.33Å; V458-M460 PolarHBondContact O-N 3.46Å; V458-A461 PolarHBondContact O-N 3.36Å; V458-N462 PolarHBondContact O-N 3.24Å; V458-N462 VanDerWaalsContact O-N 3.08Å
459	K	94.2	Very high	95.2	Very high	99 Å²	99	34.2 Å²	34.2	43%	0.43	18%	0.175	S	C	.	.	H	α-helix	trans	-62.7	-41.6	176.8	-75.1	175.4	-177.1	-177.8	0	112.3	E154 L158 G455 M457	E154-K459 VanDerWaalsContact CD-NZ 3.28Å; E154-K459 VanDerWaalsContact OE1-CE 3.3Å; E154-K459 WeakPolarHBondContact OE1-CE 3.41Å; E154-K459 IonicContact OE1-NZ 2.99Å; E154-K459 PolarHBondContact OE1-NZ 3.33Å; E154-K459 IonicContact OE2-NZ 2.76Å; L158-K459 HydrophobicContact CD1-CD 4.41Å; L158-K459 HydrophobicContact CD1-CG 3.66Å; G455-K459 VanDerWaalsContact O-CG 3.25Å; G455-K459 WeakPolarHBondContact O-CG 3.47Å; G455-K459 PolarHBondContact O-N 2.66Å; M457-K459 PolarHBondContact O-N 3.12Å
460	M	95.1	Very high	95.2	Very high	38 Å²	38	37.7 Å²	37.7	19%	0.187	19%	0.188	C	C	.	.	H	α-helix	trans	-70.9	-43.3	178.3	-170	176.1	-67.1	0	0	110.8	L417 L420 T421 G456 M457 V458 N462 E463 W464 L616	L417-M460 HydrophobicContact CD2-CB 3.86Å; L417-M460 HydrophobicContact CD2-CG 3.52Å; L417-M460 HydrophobicContact CD2-SD 3.64Å; L420-M460 HydrophobicContact CB-CE 4.28Å; L420-M460 HydrophobicContact CB-SD 4.04Å; L420-M460 HydrophobicContact CD1-SD 4.13Å; T421-M460 HydrophobicContact CG2-CB 4.18Å; T421-M460 HydrophobicContact CG2-CE 3.73Å; T421-M460 HydrophobicContact CG2-SD 3.73Å; G456-M460 WeakPolarHBondContact O-CB 3.17Å; G456-M460 PolarHBondContact O-N 3.33Å; G456-M460 VanDerWaalsContact O-N 3.09Å; M457-M460 PolarHBondContact O-N 3.2Å; V458-M460 VanDerWaalsContact C-N 3.33Å; V458-M460 PolarHBondContact O-N 3.46Å; M460-N462 VanDerWaalsContact C-N 3.34Å; M460-N462 PolarHBondContact O-N 3.06Å; M460-E463 CarbonylContact O-C 3.55Å; M460-E463 PolarHBondContact O-N 3.36Å; M460-W464 HydrophobicContact CG-CE3 3.83Å; M460-W464 HydrophobicContact CG-CZ3 4.11Å; M460-W464 WeakPolarHBondContact O-CB 3.08Å; M460-W464 PolarHBondContact O-N 3.32Å; M460-W464 HydrophobicContact SD-CE3 4.15Å; M460-W464 HydrophobicContact SD-CZ3 3.8Å; M460-L616 HydrophobicContact CE-CB 4.3Å; M460-L616 HydrophobicContact CE-CD2 4.3Å
461	A	96.6	Very high	95.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-55.5	-44.2	177.8	0	0	0	0	0	112.8	A402 A405 N406 L409 L417 M457 V458 E463 W464	A402-A461 HydrophobicContact CB-CB 4.28Å; A405-A461 HydrophobicContact CB-CB 4.27Å; N406-A461 HydrophobicContact CB-CB 4.42Å; N406-A461 VanDerWaalsContact CB-O 3.22Å; N406-A461 WeakPolarHBondContact CB-O 3.35Å; N406-A461 PolarHBondContact ND2-O 3.22Å; L409-A461 HydrophobicContact CD1-CB 3.93Å; L417-A461 HydrophobicContact CD1-CB 4.02Å; M457-A461 WeakPolarHBondContact O-CB 3.08Å; M457-A461 PolarHBondContact O-N 3.15Å; V458-A461 PolarHBondContact O-N 3.36Å; A461-E463 PolarHBondContact O-N 3.25Å; A461-W464 VanDerWaalsContact O-CB 3.3Å; A461-W464 WeakPolarHBondContact O-CB 3.21Å; A461-W464 PolarHBondContact O-N 3.14Å; A461-W464 VanDerWaalsContact O-N 3.07Å
462	N	94.7	Very high	95.2	Very high	89 Å²	89	44.7 Å²	44.7	48%	0.476	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-26.4	-178.7	-175.9	63.3	0	0	0	113.8	Y160 V458 M460	Y160-N462 PolarHBondContact OH-OD1 3Å; V458-N462 PolarHBondContact O-N 3.24Å; V458-N462 VanDerWaalsContact O-N 3.08Å; M460-N462 VanDerWaalsContact C-N 3.34Å; M460-N462 PolarHBondContact O-N 3.06Å
463	E	93.1	Very high	95.2	Very high	64 Å²	64	44.8 Å²	44.8	30%	0.299	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111	5.9	178.1	-59.8	-175.1	164.8	0	0	112.4	M460 A461 R610	M460-E463 CarbonylContact O-C 3.55Å; M460-E463 PolarHBondContact O-N 3.36Å; A461-E463 PolarHBondContact O-N 3.25Å; E463-R610 IonicContact OE1-CZ 3.53Å; E463-R610 IonicContact OE1-NE 2.96Å; E463-R610 IonicContact OE1-NH2 3.89Å; E463-R610 PolarHBondContact OE1-NH2 2.53Å; E463-R610 IonicContact OE2-CZ 3.08Å; E463-R610 IonicContact OE2-NE 3.23Å; E463-R610 PolarHBondContact OE2-NE 2.94Å; E463-R610 IonicContact OE2-NH2 3.02Å; E463-R610 PolarHBondContact OE2-NH2 3.35Å
464	W	95.8	Very high	95.3	Very high	12 Å²	12	48.3 Å²	48.3	5%	0.045	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-71.9	132.2	-173	-171.5	-99	0	0	0	111.6	N406 L409 D413 H416 L417 L420 M460 A461 V467 Y604 Q607	N406-W464 PolarHBondContact ND2-O 3.19Å; L409-W464 HydrophobicContact CD2-CB 4.02Å; L409-W464 VanDerWaalsContact CD2-CD1 3.42Å; L409-W464 HydrophobicContact CD2-CG 3.86Å; D413-W464 VanDerWaalsContact CG-NE1 3.27Å; D413-W464 PolarHBondContact OD1-NE1 2.87Å; H416-W464 HydrophobicContact CB-CH2 3.94Å; H416-W464 HydrophobicContact CB-CZ2 3.68Å; L417-W464 HydrophobicContact CD2-CD2 3.86Å; L417-W464 HydrophobicContact CD2-CE3 3.55Å; L417-W464 HydrophobicContact CD2-CG 4.38Å; L417-W464 HydrophobicContact CD2-CZ3 3.9Å; L417-W464 HydrophobicContact CG-CD2 4.29Å; L417-W464 HydrophobicContact CG-CE3 4.39Å; L420-W464 HydrophobicContact CD1-CH2 3.6Å; L420-W464 HydrophobicContact CD1-CZ3 3.76Å; M460-W464 HydrophobicContact CG-CE3 3.83Å; M460-W464 HydrophobicContact CG-CZ3 4.11Å; M460-W464 WeakPolarHBondContact O-CB 3.08Å; M460-W464 PolarHBondContact O-N 3.32Å; M460-W464 HydrophobicContact SD-CE3 4.15Å; M460-W464 HydrophobicContact SD-CZ3 3.8Å; A461-W464 VanDerWaalsContact O-CB 3.3Å; A461-W464 WeakPolarHBondContact O-CB 3.21Å; A461-W464 PolarHBondContact O-N 3.14Å; A461-W464 VanDerWaalsContact O-N 3.07Å; W464-V467 HydrophobicContact CZ2-CG1 3.78Å; W464-Y604 HydrophobicContact CH2-CD1 4.05Å; W464-Y604 AromaticContact CH2-CE1 3.79Å; W464-Y604 HydrophobicContact CH2-CE1 3.79Å; W464-Y604 HydrophobicContact CZ2-CE1 4.42Å; W464-Q607 HydrophobicContact CZ3-CG 4.31Å
465	K	95.2	Very high	95.2	Very high	102 Å²	102	48.9 Å²	48.9	44%	0.443	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-99	133.7	167.4	-66.3	173.6	-178.8	169.8	0	109.6	V467 D606 Q607	K465-V467 PolarHBondContact O-N 3.49Å; K465-D606 HydrophobicContact CD-CB 3.68Å; K465-D606 WeakPolarHBondContact CD-O 3.42Å; K465-D606 WeakPolarHBondContact CE-O 3.48Å; K465-D606 PolarHBondContact NZ-O 3.09Å; K465-Q607 VanDerWaalsContact N-OE1 3.14Å; K465-Q607 PolarHBondContact O-NE2 3.44Å
466	T	96	Very high	95.3	Very high	78 Å²	78	49.9 Å²	49.9	48%	0.479	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-55.8	135	179.7	-62.3	0	0	0	0	111.5	T410 D413	T410-T466 HydrophobicContact CG2-CG2 3.85Å; D413-T466 WeakPolarHBondContact OD1-CA 3.31Å; D413-T466 WeakPolarHBondContact OD2-CG2 3.33Å; D413-T466 PolarHBondContact OD2-OG1 2.99Å
467	V	96.1	Very high	95.5	Very high	7 Å²	7	52 Å²	52	4%	0.042	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-65.9	156.7	178.4	-63.1	0	0	0	0	112	R412 D413 W464 K465 P603	R412-V467 HydrophobicContact CB-CG2 4.27Å; D413-V467 PolarHBondContact OD1-N 2.81Å; W464-V467 HydrophobicContact CZ2-CG1 3.78Å; K465-V467 PolarHBondContact O-N 3.49Å; V467-P603 HydrophobicContact CB-CB 4.31Å; V467-P603 HydrophobicContact CG1-CB 4Å
468	P	95.4	Very high	95.5	Very high	42 Å²	42	53.6 Å²	53.6	27%	0.273	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-57.9	167.4	177.5	-25.1	34.9	0	0	0	113.8	R412 T599	R412-P468 VanDerWaalsContact CZ-O 3.31Å; R412-P468 PolarHBondContact NH1-O 2.6Å; R412-P468 PolarHBondContact NH2-O 2.76Å; P468-T599 HydrophobicContact CB-CG2 3.99Å; P468-T599 HydrophobicContact CG-CG2 4.43Å
469	E	93.4	Very high	95.4	Very high	149 Å²	149	60.2 Å²	60.2	70%	0.696	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-56.4	144.4	177.7	-67.1	-173.5	167.4	0	0	112.4	F471	E469-F471 HydrophobicContact CB-CE2 4.06Å; E469-F471 HydrophobicContact CB-CZ 4.2Å; E469-F471 VanDerWaalsContact O-CD2 3.28Å; E469-F471 WeakPolarHBondContact O-CD2 3.46Å; E469-F471 VanDerWaalsContact O-CE2 3.3Å; E469-F471 WeakPolarHBondContact O-CE2 3.33Å
470	R	94.3	Very high	95.3	Very high	75 Å²	75	62 Å²	62	28%	0.283	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-82.4	131.9	179.2	-169.3	-171.8	62.4	102.3	3.2	110.4	H597	R470-H597 PolarHBondContact NH1-ND1 2.78Å
471	F	95.9	Very high	95.3	Very high	46 Å²	46	63.3 Å²	63.3	20%	0.202	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	158.3	171.1	-61.9	-83.6	0	0	0	111	E469 D503 F505 V506 H597 G598 Q600	E469-F471 HydrophobicContact CB-CE2 4.06Å; E469-F471 HydrophobicContact CB-CZ 4.2Å; E469-F471 VanDerWaalsContact O-CD2 3.28Å; E469-F471 WeakPolarHBondContact O-CD2 3.46Å; E469-F471 VanDerWaalsContact O-CE2 3.3Å; E469-F471 WeakPolarHBondContact O-CE2 3.33Å; F471-D503 WeakPolarHBondContact CD1-O 3.35Å; F471-D503 WeakPolarHBondContact CE1-O 3.43Å; F471-F505 WeakPolarHBondContact CB-O 3.33Å; F471-V506 HydrophobicContact CB-CG2 4.05Å; F471-H597 WeakPolarHBondContact O-CA 3.3Å; F471-G598 PolarHBondContact N-O 2.89Å; F471-G598 PolarHBondContact O-N 3.12Å; F471-Q600 VanDerWaalsContact CD1-NE2 3.31Å; F471-Q600 HydrophobicContact CD2-CB 4.38Å; F471-Q600 HydrophobicContact CD2-CG 3.67Å; F471-Q600 VanDerWaalsContact CE1-NE2 3.25Å; F471-Q600 HydrophobicContact CE2-CB 4.28Å; F471-Q600 HydrophobicContact CE2-CG 3.83Å; F471-Q600 HydrophobicContact CG-CG 4.19Å; F471-Q600 HydrophobicContact CZ-CG 4.47Å
472	H	94.9	Very high	95.3	Very high	108 Å²	108	65.7 Å²	65.7	50%	0.5	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	126.3	174.9	69.2	-78.9	0	0	0	110	N504 L596	H472-N504 WeakPolarHBondContact O-CB 3.41Å; H472-N504 PolarHBondContact O-ND2 2.88Å; H472-L596 CarbonylContact C-O 3.59Å; H472-L596 WeakPolarHBondContact CA-O 3.43Å
473	C	96.7	Very high	95.4	Very high	2 Å²	2	70 Å²	70	1%	0.014	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	123.2	179.4	172.9	0	0	0	0	110.2	A475 C499 V506 M595 L596	C473-A475 PolarHBondContact O-N 3.22Å; C473-C499 HydrophobicContact CB-CB 3.8Å; C473-C499 WeakPolarHBondContact CB-SG 3.34Å; C473-C499 WeakPolarHBondContact SG-CB 3.21Å; C473-C499 PolarHBondContact SG-N 3.22Å; C473-C499 CovalentContact SG-SG 2.04Å; C473-C499 PolarHBondContact SG-SG 2.75Å; C473-V506 HydrophobicContact CB-CG2 3.98Å; C473-M595 WeakPolarHBondContact O-CA 2.91Å; C473-L596 HydrophobicContact CB-CB 4.37Å; C473-L596 PolarHBondContact N-O 3.42Å; C473-L596 PolarHBondContact O-N 3.2Å
474	V	97.5	Very high	95.5	Very high	83 Å²	83	67.8 Å²	67.8	50%	0.503	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	96.4	162.4	-177.2	0	0	0	0	106.8	G476 T593	V474-G476 VanDerWaalsContact C-N 3.32Å; V474-G476 PolarHBondContact O-N 3.31Å; V474-T593 HydrophobicContact CG1-CG2 3.75Å
475	A	94.4	Very high	95.4	Very high	12 Å²	12	72.5 Å²	72.5	10%	0.099	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-19.7	-167.8	0	0	0	0	0	113.6	C473 T496 L594 L596	C473-A475 PolarHBondContact O-N 3.22Å; A475-T496 HydrophobicContact CB-CG2 3.87Å; A475-T496 VanDerWaalsContact O-CB 3.29Å; A475-T496 WeakPolarHBondContact O-CB 3.11Å; A475-T496 PolarHBondContact O-OG1 3.23Å; A475-L594 HydrophobicContact CB-CB 4.35Å; A475-L594 HydrophobicContact CB-CD2 3.8Å; A475-L594 HydrophobicContact CB-CG 3.98Å; A475-L594 PolarHBondContact N-O 3.02Å; A475-L596 HydrophobicContact CB-CD1 3.54Å; A475-L596 HydrophobicContact CB-CG 3.75Å
476	G	95.6	Very high	95.2	Very high	21 Å²	21	69.6 Å²	69.6	22%	0.216	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.1	163.7	175	0	0	0	0	0	111.5	V474 L594	V474-G476 VanDerWaalsContact C-N 3.32Å; V474-G476 PolarHBondContact O-N 3.31Å; G476-L594 PolarHBondContact O-N 3.44Å
477	S	97.1	Very high	94.7	Very high	63 Å²	63	69.7 Å²	69.7	44%	0.441	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	138.2	177.9	60.9	0	0	0	0	111.2	W592 T593	S477-W592 CarbonylContact C-O 3.24Å; S477-W592 VanDerWaalsContact CA-O 3.29Å; S477-W592 WeakPolarHBondContact CA-O 3.37Å; S477-T593 WeakPolarHBondContact CB-OG1 3.06Å
478	I	96.4	Very high	94.3	Very high	35 Å²	35	74.6 Å²	74.6	18%	0.179	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	117.2	169.5	-61.2	175	0	0	0	107.1	L492 I494 E591 W592	I478-L492 HydrophobicContact CD1-CB 4Å; I478-L492 HydrophobicContact CD1-CD1 4.07Å; I478-L492 HydrophobicContact CD1-CG 4.48Å; I478-L492 HydrophobicContact CG2-CD1 4.25Å; I478-I494 HydrophobicContact CD1-CD1 4.39Å; I478-I494 HydrophobicContact CD1-CG1 3.89Å; I478-I494 HydrophobicContact CG1-CD1 4.25Å; I478-I494 HydrophobicContact CG1-CG1 4.06Å; I478-E591 CarbonylContact O-C 3.56Å; I478-E591 VanDerWaalsContact O-CA 3.29Å; I478-E591 WeakPolarHBondContact O-CA 3.33Å; I478-W592 HydrophobicContact CD1-CE3 3.92Å; I478-W592 HydrophobicContact CD1-CZ3 4.11Å; I478-W592 PolarHBondContact N-O 2.89Å; I478-W592 PolarHBondContact O-N 3.13Å
479	Q	94.3	Very high	94.2	Very high	139 Å²	139	78.6 Å²	78.6	65%	0.65	42%	0.42	S	S	*	.			trans	-110.9	8.2	-178.2	-66.1	-178	-15.1	0	0	112.9	K590 E591	Q479-K590 CarbonylContact C-O 3.07Å; Q479-K590 VanDerWaalsContact C-O 3.24Å; Q479-E591 HydrophobicContact CG-CG 4.2Å; Q479-E591 PolarHBondContact NE2-OE1 3.14Å
480	E	93.5	Very high	94.3	Very high	138 Å²	138	72.7 Å²	72.7	65%	0.645	39%	0.393	S	S	*	.	S	Bend	trans	-86.3	137.3	177.3	-177.6	174.4	-169.6	0	0	111	H482	E480-H482 PolarHBondContact O-CE1 2.89Å; E480-H482 PolarHBondContact O-N 2.98Å; E480-H482 PolarHBondContact O-ND1 3.17Å
481	A	95.5	Very high	94.4	Very high	65 Å²	65	73.1 Å²	73.1	54%	0.537	40%	0.404	S	S	.	.			trans	-76.5	114	-178.4	0	0	0	0	0	112.1	V588 L589	A481-V588 HydrophobicContact CB-CG1 4.07Å; A481-L589 CarbonylContact C-O 3.59Å; A481-L589 WeakPolarHBondContact CA-O 3.36Å
482	H	96.4	Very high	94.5	Very high	49 Å²	49	71.7 Å²	71.7	23%	0.227	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	121.9	179.5	-68.8	81.5	0	0	0	111.1	E480 L490 V588 L589	E480-H482 PolarHBondContact O-CE1 2.89Å; E480-H482 PolarHBondContact O-N 2.98Å; E480-H482 PolarHBondContact O-ND1 3.17Å; H482-L490 HydrophobicContact CB-CD1 3.96Å; H482-L490 HydrophobicContact CB-CD2 3.58Å; H482-L490 HydrophobicContact CB-CG 4.43Å; H482-V588 WeakPolarHBondContact O-CA 3.44Å; H482-L589 PolarHBondContact N-O 3.22Å; H482-L589 PolarHBondContact O-N 3.35Å
483	K	95.8	Very high	94.6	Very high	180 Å²	180	69.2 Å²	69.2	78%	0.783	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	140.4	177.6	-60.4	-176.5	-179.8	173.1	0	110.7	G587 V588	K483-G587 WeakPolarHBondContact CA-O 3.36Å; K483-V588 HydrophobicContact CG-CG1 4.47Å; K483-V588 HydrophobicContact CG-CG2 4.14Å
484	F	95.3	Very high	94.7	Very high	17 Å²	17	69.8 Å²	69.8	8%	0.075	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	162.4	175.5	65.4	-80.3	0	0	0	111.3	L490 V518 L526 V577 F579 G587 L589	F484-L490 HydrophobicContact CB-CB 3.9Å; F484-L490 HydrophobicContact CD1-CB 4.4Å; F484-L490 HydrophobicContact CD1-CD2 4.01Å; F484-L490 HydrophobicContact CG-CB 4.16Å; F484-V518 HydrophobicContact CE1-CG2 3.98Å; F484-V518 HydrophobicContact CZ-CG2 3.95Å; F484-L526 HydrophobicContact CE2-CD2 3.87Å; F484-L526 HydrophobicContact CZ-CD2 3.71Å; F484-V577 HydrophobicContact CE1-CG1 4Å; F484-V577 HydrophobicContact CE2-CG1 3.72Å; F484-V577 HydrophobicContact CZ-CB 4.49Å; F484-V577 HydrophobicContact CZ-CG1 3.43Å; F484-V577 VanDerWaalsContact CZ-CG1 3.43Å; F484-F579 AromaticContact CD2-CD2 3.92Å; F484-F579 HydrophobicContact CD2-CD2 3.92Å; F484-F579 AromaticContact CD2-CE2 3.45Å; F484-F579 HydrophobicContact CD2-CE2 3.45Å; F484-F579 VanDerWaalsContact CD2-CE2 3.45Å; F484-F579 HydrophobicContact CD2-CZ 4.2Å; F484-F579 AromaticContact CE2-CD2 3.81Å; F484-F579 HydrophobicContact CE2-CD2 3.81Å; F484-F579 HydrophobicContact CE2-CE1 4.32Å; F484-F579 AromaticContact CE2-CE2 3.2Å; F484-F579 HydrophobicContact CE2-CE2 3.2Å; F484-F579 AromaticContact CE2-CZ 3.5Å; F484-F579 HydrophobicContact CE2-CZ 3.5Å; F484-F579 HydrophobicContact CZ-CE2 4.13Å; F484-F579 HydrophobicContact CZ-CZ 4.04Å; F484-G587 WeakPolarHBondContact CD1-O 3.31Å; F484-G587 VanDerWaalsContact CE1-C 3.47Å; F484-G587 PolarHBondContact N-O 2.93Å; F484-G587 PolarHBondContact O-N 3.07Å; F484-L589 HydrophobicContact CE1-CB 4.24Å
485	Q	94.3	Very high	94.7	Very high	111 Å²	111	70.4 Å²	70.4	52%	0.519	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	161.3	-174.3	64.3	-174.2	-7.7	0	0	111	G487 N488 Q585 R586	Q485-G487 PolarHBondContact O-N 3.4Å; Q485-N488 PolarHBondContact O-N 2.96Å; Q485-Q585 WeakPolarHBondContact CA-O 3.23Å; Q485-R586 HydrophobicContact CB-CG 4.21Å
486	S	91.1	Very high	94.8	Very high	41 Å²	41	70.4 Å²	70.4	29%	0.287	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	138.7	176	-64.2	0	0	0	0	112.1	Q585	S486-Q585 PolarHBondContact N-O 2.79Å; S486-Q585 PolarHBondContact OG-N 3.09Å
487	G	84.3	Confident	94.8	Very high	81 Å²	81	74.4 Å²	74.4	84%	0.835	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.9	-26.5	-177.6	0	0	0	0	0	114.5	Q485	Q485-G487 PolarHBondContact O-N 3.4Å
488	N	88.3	Confident	94.8	Very high	110 Å²	110	71.4 Å²	71.4	59%	0.588	39%	0.394	S	S	*	.	S	Bend	trans	-119.8	134.4	175.6	-68	-11.9	0	0	0	110.5	Q485	Q485-N488 PolarHBondContact O-N 2.96Å
489	K	92.3	Very high	94.8	Very high	125 Å²	125	70.5 Å²	70.5	54%	0.543	39%	0.391	S	S	.	.			trans	-89.3	133	170.9	-63.1	-177.2	-178.6	-178.1	0	109.4
490	L	96.4	Very high	94.7	Very high	25 Å²	25	68.7 Å²	68.7	13%	0.131	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	127.9	164.8	178.4	64.2	0	0	0	108	H482 F484 L492 E576 V577 L589	H482-L490 HydrophobicContact CB-CD1 3.96Å; H482-L490 HydrophobicContact CB-CD2 3.58Å; H482-L490 HydrophobicContact CB-CG 4.43Å; F484-L490 HydrophobicContact CB-CB 3.9Å; F484-L490 HydrophobicContact CD1-CB 4.4Å; F484-L490 HydrophobicContact CD1-CD2 4.01Å; F484-L490 HydrophobicContact CG-CB 4.16Å; L490-L492 HydrophobicContact CD1-CD2 4.1Å; L490-L492 HydrophobicContact CD1-CG 4.44Å; L490-L492 HydrophobicContact CD2-CG 4.38Å; L490-L492 HydrophobicContact CG-CD2 4.4Å; L490-L492 HydrophobicContact CG-CG 4.2Å; L490-E576 CarbonylContact O-C 3.51Å; L490-E576 WeakPolarHBondContact O-CA 3.4Å; L490-V577 HydrophobicContact CB-CB 4.45Å; L490-V577 PolarHBondContact N-O 3.43Å; L490-V577 PolarHBondContact O-N 3.36Å; L490-L589 HydrophobicContact CD2-CB 3.88Å; L490-L589 HydrophobicContact CD2-CD2 3.78Å; L490-L589 HydrophobicContact CD2-CG 4.49Å
491	V	97.3	Very high	94.6	Very high	84 Å²	84	66 Å²	66	51%	0.509	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	114.5	177.2	-175	0	0	0	0	107.3	V574 L575 E576	V491-V574 HydrophobicContact CG1-CG1 3.45Å; V491-V574 VanDerWaalsContact CG1-CG1 3.45Å; V491-L575 WeakPolarHBondContact CA-O 3.25Å; V491-E576 HydrophobicContact CG2-CG 4.36Å
492	L	97.2	Very high	94.4	Very high	17 Å²	17	69.4 Å²	69.4	9%	0.089	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	149.8	173.2	-63.6	-173.6	0	0	0	109.5	I478 L490 V574 L575 L589 W592	I478-L492 HydrophobicContact CD1-CB 4Å; I478-L492 HydrophobicContact CD1-CD1 4.07Å; I478-L492 HydrophobicContact CD1-CG 4.48Å; I478-L492 HydrophobicContact CG2-CD1 4.25Å; L490-L492 HydrophobicContact CD1-CD2 4.1Å; L490-L492 HydrophobicContact CD1-CG 4.44Å; L490-L492 HydrophobicContact CD2-CG 4.38Å; L490-L492 HydrophobicContact CG-CD2 4.4Å; L490-L492 HydrophobicContact CG-CG 4.2Å; L492-V574 CarbonylContact O-C 3.59Å; L492-V574 WeakPolarHBondContact O-CA 3.47Å; L492-L575 PolarHBondContact N-O 2.92Å; L492-L575 PolarHBondContact O-N 2.91Å; L492-L589 HydrophobicContact CD1-CD2 3.41Å; L492-L589 VanDerWaalsContact CD1-CD2 3.41Å; L492-L589 HydrophobicContact CG-CD2 4.35Å; L492-W592 HydrophobicContact CB-CE3 3.76Å; L492-W592 HydrophobicContact CB-CZ3 3.62Å; L492-W592 HydrophobicContact CD1-CE3 4.2Å
493	A	97.8	Very high	94.2	Very high	56 Å²	56	74.1 Å²	74.1	46%	0.463	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	137.5	178.9	0	0	0	0	0	111.1	T572 W573 V574	A493-T572 HydrophobicContact CB-CG2 3.89Å; A493-W573 CarbonylContact C-O 3.51Å; A493-W573 WeakPolarHBondContact CA-O 3.48Å; A493-V574 HydrophobicContact CB-CG2 4.49Å
494	I	97.9	Very high	94.1	Very high	13 Å²	13	67.7 Å²	67.7	7%	0.067	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	115.1	171.1	-67.6	173.8	0	0	0	107	I478 W573 W592 L594	I478-I494 HydrophobicContact CD1-CD1 4.39Å; I478-I494 HydrophobicContact CD1-CG1 3.89Å; I478-I494 HydrophobicContact CG1-CD1 4.25Å; I478-I494 HydrophobicContact CG1-CG1 4.06Å; I494-W573 PolarHBondContact N-O 3.3Å; I494-W573 PolarHBondContact O-N 3.32Å; I494-W592 HydrophobicContact CB-CH2 4.17Å; I494-W592 HydrophobicContact CB-CZ3 4.47Å; I494-W592 HydrophobicContact CD1-CD2 3.85Å; I494-W592 HydrophobicContact CD1-CE3 3.8Å; I494-W592 HydrophobicContact CD1-CH2 3.84Å; I494-W592 HydrophobicContact CD1-CZ2 3.9Å; I494-W592 HydrophobicContact CD1-CZ3 3.79Å; I494-W592 HydrophobicContact CG1-CE3 4.13Å; I494-W592 HydrophobicContact CG1-CH2 3.83Å; I494-W592 HydrophobicContact CG1-CZ2 4.37Å; I494-W592 HydrophobicContact CG1-CZ3 3.69Å; I494-L594 HydrophobicContact CD1-CB 4.17Å; I494-L594 HydrophobicContact CG2-CD2 4.43Å
495	T	97.9	Very high	94.2	Very high	96 Å²	96	68.1 Å²	68.1	59%	0.589	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	126	169.6	-55.3	0	0	0	0	108.8	G571 T572	T495-G571 WeakPolarHBondContact CA-O 3.43Å; T495-T572 PolarHBondContact OG1-OG1 3.44Å
496	T	96.8	Very high	94.3	Very high	12 Å²	12	62.9 Å²	62.9	7%	0.074	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	148.6	-174.2	-170.2	0	0	0	0	112.3	A475 A498 R570 G571 L594	A475-T496 HydrophobicContact CB-CG2 3.87Å; A475-T496 VanDerWaalsContact O-CB 3.29Å; A475-T496 WeakPolarHBondContact O-CB 3.11Å; A475-T496 PolarHBondContact O-OG1 3.23Å; T496-A498 VanDerWaalsContact C-N 3.3Å; T496-A498 PolarHBondContact OG1-N 2.84Å; T496-A498 VanDerWaalsContact OG1-N 3.1Å; T496-R570 WeakPolarHBondContact O-CA 3.34Å; T496-G571 PolarHBondContact N-O 2.93Å; T496-G571 PolarHBondContact O-N 3.03Å; T496-L594 HydrophobicContact CG2-CD2 4.46Å
497	E	95.9	Very high	94.4	Very high	105 Å²	105	61.3 Å²	61.3	49%	0.491	36%	0.361	S	S	.	.			trans	-96	16.9	168.4	-58.4	-57.9	145.4	0	0	111.1	C499 Q500	E497-C499 PolarHBondContact O-N 2.89Å; E497-C499 VanDerWaalsContact O-N 3.11Å; E497-Q500 HydrophobicContact CB-CB 4.1Å; E497-Q500 VanDerWaalsContact O-CB 3.25Å; E497-Q500 WeakPolarHBondContact O-CB 3.46Å; E497-Q500 PolarHBondContact O-N 2.87Å
498	A	95.8	Very high	95	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	38.2	177.6	0	0	0	0	0	114.7	T496 Q500 F505 V506 P569 R570 L596	T496-A498 VanDerWaalsContact C-N 3.3Å; T496-A498 PolarHBondContact OG1-N 2.84Å; T496-A498 VanDerWaalsContact OG1-N 3.1Å; A498-Q500 VanDerWaalsContact C-N 3.34Å; A498-F505 VanDerWaalsContact O-CD2 3.29Å; A498-F505 WeakPolarHBondContact O-CD2 3.41Å; A498-V506 VanDerWaalsContact CB-O 3.26Å; A498-V506 WeakPolarHBondContact CB-O 3.47Å; A498-V506 PolarHBondContact O-N 3.29Å; A498-V506 VanDerWaalsContact O-N 3.11Å; A498-P569 HydrophobicContact CB-CB 4.22Å; A498-P569 HydrophobicContact CB-CG 3.6Å; A498-R570 HydrophobicContact CB-CG 4.13Å; A498-L596 HydrophobicContact CB-CD1 3.82Å
499	C	95.8	Very high	95.4	Very high	17 Å²	17	52.5 Å²	52.5	12%	0.115	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	26	-176.5	-58.3	0	0	0	0	114.8	C473 E497 G501 K502	C473-C499 HydrophobicContact CB-CB 3.8Å; C473-C499 WeakPolarHBondContact CB-SG 3.34Å; C473-C499 WeakPolarHBondContact SG-CB 3.21Å; C473-C499 PolarHBondContact SG-N 3.22Å; C473-C499 CovalentContact SG-SG 2.04Å; C473-C499 PolarHBondContact SG-SG 2.75Å; E497-C499 PolarHBondContact O-N 2.89Å; E497-C499 VanDerWaalsContact O-N 3.11Å; C499-G501 PolarHBondContact O-N 2.66Å; C499-K502 HydrophobicContact CB-CD 4.38Å; C499-K502 WeakPolarHBondContact O-CB 3.36Å; C499-K502 PolarHBondContact O-N 2.88Å; C499-K502 VanDerWaalsContact O-N 3.09Å
500	Q	93.4	Very high	95.7	Very high	100 Å²	100	46.6 Å²	46.6	47%	0.467	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	134.9	175.8	-166.2	177	30.8	0	0	112.1	E497 A498 K502 F505	E497-Q500 HydrophobicContact CB-CB 4.1Å; E497-Q500 VanDerWaalsContact O-CB 3.25Å; E497-Q500 WeakPolarHBondContact O-CB 3.46Å; E497-Q500 PolarHBondContact O-N 2.87Å; A498-Q500 VanDerWaalsContact C-N 3.34Å; Q500-K502 VanDerWaalsContact C-N 3.35Å; Q500-F505 VanDerWaalsContact CA-CD2 3.41Å; Q500-F505 HydrophobicContact CB-CD2 3.92Å; Q500-F505 HydrophobicContact CB-CE2 3.87Å; Q500-F505 HydrophobicContact CG-CD2 4.39Å; Q500-F505 HydrophobicContact CG-CE2 4.14Å; Q500-F505 HydrophobicContact CG-CZ 4.44Å
501	G	90.8	Very high	95.7	Very high	83 Å²	83	45.5 Å²	45.5	86%	0.856	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	2.6	-177.2	0	0	0	0	0	115.2	C499	C499-G501 PolarHBondContact O-N 2.66Å
502	K	92.8	Very high	95.8	Very high	135 Å²	135	41.5 Å²	41.5	59%	0.587	24%	0.239	S	C	*	.	S	Bend	trans	-112.4	162.1	171.6	-58.8	-179.8	-178.3	176.5	0	110.9	C499 Q500 N504 F505	C499-K502 HydrophobicContact CB-CD 4.38Å; C499-K502 WeakPolarHBondContact O-CB 3.36Å; C499-K502 PolarHBondContact O-N 2.88Å; C499-K502 VanDerWaalsContact O-N 3.09Å; Q500-K502 VanDerWaalsContact C-N 3.35Å; K502-N504 VanDerWaalsContact CB-OD1 3.25Å; K502-N504 WeakPolarHBondContact CB-OD1 3.22Å; K502-N504 PolarHBondContact O-N 2.78Å; K502-N504 VanDerWaalsContact O-N 3.1Å; K502-F505 WeakPolarHBondContact O-CB 3.48Å; K502-F505 PolarHBondContact O-N 3.35Å
503	D	91.7	Very high	95.8	Very high	148 Å²	148	41.7 Å²	41.7	79%	0.791	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-14.6	177.7	-58.3	-27.7	0	0	0	113.5	F471 Q600	F471-D503 WeakPolarHBondContact CD1-O 3.35Å; F471-D503 WeakPolarHBondContact CE1-O 3.43Å; D503-Q600 PolarHBondContact O-NE2 2.86Å
504	N	93.6	Very high	95.8	Very high	46 Å²	46	39 Å²	39	25%	0.246	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	24.8	-179.9	75	-37.2	0	0	0	113.4	H472 K502	H472-N504 WeakPolarHBondContact O-CB 3.41Å; H472-N504 PolarHBondContact O-ND2 2.88Å; K502-N504 VanDerWaalsContact CB-OD1 3.25Å; K502-N504 WeakPolarHBondContact CB-OD1 3.22Å; K502-N504 PolarHBondContact O-N 2.78Å; K502-N504 VanDerWaalsContact O-N 3.1Å
505	F	96.1	Very high	95.8	Very high	26 Å²	26	39.3 Å²	39.3	11%	0.114	22%	0.22	C	C	.	.			trans	-54.8	142.9	172.6	175.8	-130	0	0	0	110.9	F471 A498 Q500 K502 R507 Q600	F471-F505 WeakPolarHBondContact CB-O 3.33Å; A498-F505 VanDerWaalsContact O-CD2 3.29Å; A498-F505 WeakPolarHBondContact O-CD2 3.41Å; Q500-F505 VanDerWaalsContact CA-CD2 3.41Å; Q500-F505 HydrophobicContact CB-CD2 3.92Å; Q500-F505 HydrophobicContact CB-CE2 3.87Å; Q500-F505 HydrophobicContact CG-CD2 4.39Å; Q500-F505 HydrophobicContact CG-CE2 4.14Å; Q500-F505 HydrophobicContact CG-CZ 4.44Å; K502-F505 WeakPolarHBondContact O-CB 3.48Å; K502-F505 PolarHBondContact O-N 3.35Å; F505-R507 HydrophobicContact CE1-CB 3.77Å; F505-R507 HydrophobicContact CE1-CG 4.45Å; F505-R507 HydrophobicContact CZ-CB 3.75Å; F505-R507 HydrophobicContact CZ-CG 4.23Å; F505-Q600 HydrophobicContact CB-CG 4.02Å; F505-Q600 HydrophobicContact CD1-CB 4.37Å; F505-Q600 HydrophobicContact CD1-CG 4.01Å; F505-Q600 HydrophobicContact CG-CG 4.38Å; F505-Q600 WeakPolarHBondContact O-CG 3.49Å
506	V	96.7	Very high	95.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.192	C	C	.	.			trans	-128.8	121.5	173.4	178.3	0	0	0	0	108	F471 C473 A498 L509 P569	F471-V506 HydrophobicContact CB-CG2 4.05Å; C473-V506 HydrophobicContact CB-CG2 3.98Å; A498-V506 VanDerWaalsContact CB-O 3.26Å; A498-V506 WeakPolarHBondContact CB-O 3.47Å; A498-V506 PolarHBondContact O-N 3.29Å; A498-V506 VanDerWaalsContact O-N 3.11Å; V506-L509 HydrophobicContact CG1-CD2 4.1Å; V506-P569 HydrophobicContact CG1-CG 4.38Å; V506-P569 WeakPolarHBondContact O-CG 3.36Å
507	R	94.2	Very high	95.9	Very high	9 Å²	9	34.6 Å²	34.6	3%	0.034	19%	0.191	C	C	.	.			trans	-109.2	-41.1	178.6	-174.1	175.2	174.3	171.1	5.3	112.4	F505 D568 P569 T599 E626 E627 E630	F505-R507 HydrophobicContact CE1-CB 3.77Å; F505-R507 HydrophobicContact CE1-CG 4.45Å; F505-R507 HydrophobicContact CZ-CB 3.75Å; F505-R507 HydrophobicContact CZ-CG 4.23Å; R507-D568 WeakPolarHBondContact O-CA 3.48Å; R507-P569 WeakPolarHBondContact O-CD 3.49Å; R507-T599 PolarHBondContact N-O 3.06Å; R507-E626 IonicContact NE-OE2 3.96Å; R507-E626 PolarHBondContact NH2-O 3.31Å; R507-E627 IonicContact CZ-OE1 3.35Å; R507-E627 IonicContact NH1-OE1 3.51Å; R507-E627 PolarHBondContact NH1-OE1 3.48Å; R507-E627 IonicContact NH1-OE2 3.57Å; R507-E627 IonicContact NH2-OE1 2.99Å; R507-E630 VanDerWaalsContact CZ-CD 3.43Å; R507-E630 IonicContact CZ-OE1 3.27Å; R507-E630 IonicContact CZ-OE2 2.71Å; R507-E630 VanDerWaalsContact CZ-OE2 3.27Å; R507-E630 IonicContact NH1-OE1 2.73Å; R507-E630 IonicContact NH1-OE2 3.67Å; R507-E630 PolarHBondContact NH1-OE2 3.44Å; R507-E630 VanDerWaalsContact NH2-CD 3.25Å; R507-E630 IonicContact NH2-OE1 3.34Å; R507-E630 IonicContact NH2-OE2 3.44Å; R507-E630 PolarHBondContact NH2-OE2 3.04Å
508	Y	95.9	Very high	95.9	Very high	3 Å²	3	29.6 Å²	29.6	1%	0.012	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	114.2	180	-56.3	-79.9	0	0	0	109.1	G598 T599 S601 A602 E623 E626 E627	Y508-G598 CarbonylContact O-C 3.53Å; Y508-G598 WeakPolarHBondContact O-CA 3.46Å; Y508-T599 PolarHBondContact N-O 2.71Å; Y508-T599 PolarHBondContact O-N 3.45Å; Y508-S601 WeakPolarHBondContact CD2-O 3.48Å; Y508-S601 VanDerWaalsContact CE2-C 3.49Å; Y508-A602 HydrophobicContact CD2-CB 4.47Å; Y508-A602 HydrophobicContact CE1-CB 4.42Å; Y508-A602 HydrophobicContact CE2-CB 3.74Å; Y508-E623 HydrophobicContact CD1-CG 4.13Å; Y508-E623 HydrophobicContact CE1-CB 4.37Å; Y508-E623 HydrophobicContact CE1-CG 3.68Å; Y508-E626 WeakPolarHBondContact CE1-OE2 3.47Å; Y508-E627 PolarHBondContact OH-OE1 2.75Å
509	L	97.6	Very high	95.9	Very high	2 Å²	2	32 Å²	32	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	145.5	-175.7	-78.2	179.3	0	0	0	113.9	V506 V512 T564 G566 E567 P569 W573 L596	V506-L509 HydrophobicContact CG1-CD2 4.1Å; L509-V512 HydrophobicContact CD1-CG2 3.67Å; L509-V512 HydrophobicContact CD2-CG2 3.76Å; L509-V512 HydrophobicContact CG-CG2 4.27Å; L509-T564 WeakPolarHBondContact CB-O 3.49Å; L509-G566 PolarHBondContact O-N 2.81Å; L509-E567 WeakPolarHBondContact CB-O 3.48Å; L509-E567 HydrophobicContact CD1-CB 4.29Å; L509-E567 WeakPolarHBondContact CG-O 3.22Å; L509-E567 PolarHBondContact N-O 2.83Å; L509-E567 VanDerWaalsContact N-O 3.12Å; L509-P569 HydrophobicContact CD1-CB 3.83Å; L509-P569 HydrophobicContact CD2-CB 3.88Å; L509-P569 HydrophobicContact CD2-CG 4.03Å; L509-P569 HydrophobicContact CG-CB 3.81Å; L509-P569 HydrophobicContact CG-CG 4Å; L509-W573 HydrophobicContact CD1-CH2 3.82Å; L509-W573 HydrophobicContact CD1-CZ2 3.81Å; L509-L596 HydrophobicContact CD2-CB 4Å; L509-L596 HydrophobicContact CD2-CD2 4.09Å
510	E	97.5	Very high	95.9	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	-67.1	165.6	-67.5	168.6	-176.4	0	0	108.9	R412 H416 W565 H597	R412-E510 IonicContact CZ-OE1 3.69Å; R412-E510 VanDerWaalsContact CZ-OE1 3.3Å; R412-E510 IonicContact CZ-OE2 3.56Å; R412-E510 IonicContact NE-OE1 2.94Å; R412-E510 PolarHBondContact NE-OE1 3.08Å; R412-E510 IonicContact NE-OE2 3.02Å; R412-E510 PolarHBondContact NE-OE2 2.91Å; R412-E510 IonicContact NH2-OE1 3.45Å; R412-E510 PolarHBondContact NH2-OE1 3.24Å; R412-E510 IonicContact NH2-OE2 3.86Å; H416-E510 IonicContact CE1-OE1 3.19Å; H416-E510 IonicContact NE2-OE1 3.39Å; H416-E510 PolarHBondContact NE2-OE1 2.75Å; H416-E510 VanDerWaalsContact NE2-OE1 3.08Å; E510-W565 HydrophobicContact CB-CE3 4.42Å; E510-W565 HydrophobicContact CB-CH2 3.92Å; E510-W565 HydrophobicContact CB-CZ2 4.03Å; E510-W565 HydrophobicContact CB-CZ3 4.13Å; E510-W565 HydrophobicContact CG-CH2 4.21Å; E510-W565 HydrophobicContact CG-CZ2 3.86Å; E510-H597 PolarHBondContact N-O 3.03Å
511	H	98	Very high	95.9	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.009	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	143.1	180	-49.9	83.4	0	0	0	110.4	M331 Q415 W565 H597	M331-H511 HydrophobicContact CB-CB 4.29Å; M331-H511 PolarHBondContact O-NE2 3.04Å; Q415-H511 PolarHBondContact OE1-CE1 3.12Å; Q415-H511 PolarHBondContact OE1-NE2 3.12Å; Q415-H511 VanDerWaalsContact OE1-NE2 3.15Å; H511-W565 AromaticContact CE1-CH2 3.98Å; H511-W565 AromaticContact CE1-CZ3 3.92Å; H511-W565 AromaticContact NE2-CZ3 3.86Å; H511-H597 HydrophobicContact CB-CB 4.15Å; H511-H597 PolarHBondContact N-O 2.73Å; H511-H597 WeakPolarHBondContact O-CB 3.22Å; H511-H597 PolarHBondContact O-N 3.13Å
512	V	98.2	Very high	96.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	131.3	171.2	-179.9	0	0	0	0	109.1	L509 M530 M560 T561 T564 W573 L594 M595 L596	L509-V512 HydrophobicContact CD1-CG2 3.67Å; L509-V512 HydrophobicContact CD2-CG2 3.76Å; L509-V512 HydrophobicContact CG-CG2 4.27Å; V512-M530 HydrophobicContact CB-CE 4.24Å; V512-M530 HydrophobicContact CG1-CE 3.49Å; V512-M530 VanDerWaalsContact CG1-CE 3.49Å; V512-M530 HydrophobicContact CG1-SD 4.28Å; V512-M560 CarbonylContact O-C 3.53Å; V512-M560 WeakPolarHBondContact O-CA 3.3Å; V512-T561 HydrophobicContact CB-CG2 3.93Å; V512-T561 PolarHBondContact N-O 3.44Å; V512-T561 VanDerWaalsContact N-O 3.1Å; V512-T561 PolarHBondContact O-N 3.1Å; V512-T564 WeakPolarHBondContact CG2-OG1 3.23Å; V512-W573 HydrophobicContact CG1-CH2 4.14Å; V512-W573 HydrophobicContact CG1-CZ3 3.99Å; V512-W573 HydrophobicContact CG2-CH2 3.89Å; V512-W573 HydrophobicContact CG2-CZ3 4.47Å; V512-L594 HydrophobicContact CG1-CD1 3.72Å; V512-M595 WeakPolarHBondContact CA-O 3.35Å; V512-L596 HydrophobicContact CG1-CD2 3.99Å; V512-L596 HydrophobicContact CG2-CD2 4.07Å
513	Q	98.1	Very high	96.3	Very high	22 Å²	22	23.1 Å²	23.1	10%	0.103	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	133.7	174	-61.2	179.5	-49.8	0	0	110.9	M331 F559 M560 M595 H597	M331-Q513 VanDerWaalsContact CE-OE1 3.3Å; Q513-F559 CarbonylContact C-O 3.53Å; Q513-F559 VanDerWaalsContact CA-O 3.25Å; Q513-F559 WeakPolarHBondContact CA-O 3.4Å; Q513-M560 HydrophobicContact CG-CB 4.23Å; Q513-M560 HydrophobicContact CG-CG 4.08Å; Q513-M595 HydrophobicContact CB-CB 4.23Å; Q513-M595 PolarHBondContact N-O 2.81Å; Q513-M595 PolarHBondContact O-N 3.3Å; Q513-H597 PolarHBondContact OE1-NE2 3.25Å
514	A	97.8	Very high	96.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	99.9	165.9	0	0	0	0	0	108.2	V516 M530 L540 F559	A514-V516 HydrophobicContact CB-CG2 4.34Å; A514-V516 PolarHBondContact O-N 2.89Å; A514-M530 HydrophobicContact CB-SD 4.05Å; A514-L540 HydrophobicContact CB-CD1 3.62Å; A514-F559 PolarHBondContact N-O 2.62Å; A514-F559 PolarHBondContact O-N 2.99Å; A514-F559 VanDerWaalsContact O-N 3.12Å
515	V	97.9	Very high	96.5	Very high	19 Å²	19	14.1 Å²	14.1	12%	0.115	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	110.8	177.2	-174.4	0	0	0	0	108.3	K556 W557 P558 W592 T593 M595	V515-K556 HydrophobicContact CG1-CB 4.11Å; V515-K556 WeakPolarHBondContact CG1-O 3.24Å; V515-W557 WeakPolarHBondContact CA-O 3.25Å; V515-P558 HydrophobicContact CG2-CB 4.15Å; V515-W592 CarbonylContact O-C 3.53Å; V515-W592 WeakPolarHBondContact O-CA 3.32Å; V515-T593 PolarHBondContact N-O 2.77Å; V515-T593 PolarHBondContact O-N 2.91Å; V515-M595 HydrophobicContact CG2-CE 3.88Å; V515-M595 HydrophobicContact CG2-CG 4.31Å; V515-M595 HydrophobicContact CG2-SD 3.89Å
516	V	97.6	Very high	96.4	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	133.5	-169.3	171.5	0	0	0	0	111.5	A514 V518 K556 W557 F559 L575 L589 E591	A514-V516 HydrophobicContact CB-CG2 4.34Å; A514-V516 PolarHBondContact O-N 2.89Å; V516-V518 HydrophobicContact CG1-CB 3.99Å; V516-V518 HydrophobicContact CG1-CG1 3.8Å; V516-K556 PolarHBondContact O-N 3.26Å; V516-W557 PolarHBondContact N-O 3.36Å; V516-W557 PolarHBondContact O-N 2.02Å; V516-F559 HydrophobicContact CB-CD2 4.14Å; V516-F559 HydrophobicContact CB-CE2 4.14Å; V516-F559 HydrophobicContact CG2-CD2 4.3Å; V516-L575 HydrophobicContact CG2-CD2 4.28Å; V516-L589 HydrophobicContact CG1-CD1 3.54Å; V516-E591 WeakPolarHBondContact CA-O 3.43Å
517	T	97.8	Very high	96.4	Very high	9 Å²	9	14.2 Å²	14.2	6%	0.055	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	108.2	167.2	-56.6	0	0	0	0	108.6	F554 K556 K590 E591	T517-F554 CarbonylContact C-O 3.54Å; T517-F554 VanDerWaalsContact CA-O 3.28Å; T517-F554 WeakPolarHBondContact CA-O 3.47Å; T517-K556 PolarHBondContact OG1-N 2.84Å; T517-K590 HydrophobicContact CG2-CB 4.08Å; T517-K590 HydrophobicContact CG2-CD 4.01Å; T517-K590 PolarHBondContact O-N 3.11Å; T517-E591 PolarHBondContact N-O 3.2Å; T517-E591 PolarHBondContact O-N 2.81Å
518	V	96.8	Very high	96.5	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	131.8	-177.6	62.7	0	0	0	0	111.2	F484 V516 L526 G553 F554 V588 L589	F484-V518 HydrophobicContact CE1-CG2 3.98Å; F484-V518 HydrophobicContact CZ-CG2 3.95Å; V516-V518 HydrophobicContact CG1-CB 3.99Å; V516-V518 HydrophobicContact CG1-CG1 3.8Å; V518-L526 HydrophobicContact CG1-CD1 4Å; V518-L526 HydrophobicContact CG2-CD1 4.49Å; V518-G553 CarbonylContact O-C 3.59Å; V518-G553 VanDerWaalsContact O-CA 3.3Å; V518-G553 WeakPolarHBondContact O-CA 3.44Å; V518-F554 HydrophobicContact CG1-CB 4.05Å; V518-F554 HydrophobicContact CG1-CD2 3.83Å; V518-F554 HydrophobicContact CG1-CG 4.42Å; V518-F554 PolarHBondContact N-O 2.56Å; V518-F554 PolarHBondContact O-N 3.32Å; V518-V588 WeakPolarHBondContact CA-O 3.38Å; V518-L589 HydrophobicContact CB-CD1 3.95Å; V518-L589 HydrophobicContact CG2-CB 4.42Å; V518-L589 HydrophobicContact CG2-CD1 4.43Å
519	N	96.1	Very high	96.6	Very high	49 Å²	49	14.1 Å²	14.1	26%	0.262	7%	0.073	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	140.7	170.9	-69.2	61.8	0	0	0	109.2	G587 V588 K590	N519-G587 CarbonylContact O-C 3.56Å; N519-G587 WeakPolarHBondContact O-CA 3.29Å; N519-V588 PolarHBondContact N-O 3.05Å; N519-V588 PolarHBondContact O-N 3.38Å; N519-K590 VanDerWaalsContact OD1-CE 3.27Å; N519-K590 WeakPolarHBondContact OD1-CE 3.46Å; N519-K590 PolarHBondContact OD1-NZ 3.16Å
520	A	94.8	Very high	96.6	Very high	8 Å²	8	14.1 Å²	14.1	7%	0.066	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	153.1	176.6	0	0	0	0	0	111	R522 L526 F579 R586	A520-R522 PolarHBondContact O-N 2.77Å; A520-L526 HydrophobicContact CB-CD1 3.87Å; A520-L526 HydrophobicContact CB-CD2 4.05Å; A520-L526 HydrophobicContact CB-CG 3.96Å; A520-F579 HydrophobicContact CB-CE1 3.91Å; A520-F579 HydrophobicContact CB-CZ 4.06Å; A520-R586 WeakPolarHBondContact CA-O 3.07Å
521	T	94.8	Very high	96.6	Very high	60 Å²	60	15.6 Å²	15.6	37%	0.368	8%	0.082	S	C	.	.	S	Bend	trans	-65	-22.5	170	48.6	0	0	0	0	112.4	S550 Q585 R586	T521-S550 WeakPolarHBondContact O-CB 3.39Å; T521-Q585 WeakPolarHBondContact OG1-CA 3.3Å; T521-Q585 PolarHBondContact OG1-OE1 2.72Å; T521-R586 HydrophobicContact CG2-CB 4.1Å; T521-R586 PolarHBondContact N-O 3.35Å; T521-R586 PolarHBondContact OG1-N 2.95Å; T521-R586 PolarHBondContact OG1-O 3.43Å
522	R	94.9	Very high	96.7	Very high	55 Å²	55	15.7 Å²	15.7	21%	0.208	8%	0.083	C	C	.	.			trans	-152.5	110.1	170.2	-170.1	163.7	-176.5	-97.5	-8.5	110.1	A520 G524 D525 P545 D549 Q585	A520-R522 PolarHBondContact O-N 2.77Å; R522-G524 PolarHBondContact O-N 3.08Å; R522-D525 WeakPolarHBondContact CD-OD2 3.21Å; R522-D525 IonicContact CZ-OD2 2.93Å; R522-D525 IonicContact NH1-OD1 2.53Å; R522-D525 PolarHBondContact NH1-OD1 2.89Å; R522-D525 IonicContact NH1-OD2 3.91Å; R522-D525 PolarHBondContact NH1-OD2 3.09Å; R522-D525 PolarHBondContact O-N 3.41Å; R522-P545 PolarHBondContact NH2-O 3.47Å; R522-D549 CarbonylContact C-O 3.49Å; R522-D549 VanDerWaalsContact CA-O 3.28Å; R522-D549 WeakPolarHBondContact CA-O 3.38Å; R522-Q585 HydrophobicContact CB-CG 4.31Å
523	R	95.4	Very high	96.6	Very high	27 Å²	27	17.7 Å²	17.7	10%	0.102	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-63	-40.6	-175.4	-171.5	178.4	61.7	-176.1	-4.8	112.3	K281 V283 D525 L526 D547 D549 G553 F554	K281-R523 PolarHBondContact O-NH2 3.46Å; V283-R523 VanDerWaalsContact CG2-CZ 3.44Å; V283-R523 VanDerWaalsContact CG2-NH1 3.33Å; R523-D525 PolarHBondContact O-N 2.96Å; R523-D525 VanDerWaalsContact O-N 3.16Å; R523-L526 HydrophobicContact CG-CD1 4.21Å; R523-L526 VanDerWaalsContact O-CB 3.22Å; R523-L526 WeakPolarHBondContact O-CB 3.48Å; R523-L526 WeakPolarHBondContact O-CG 3.49Å; R523-L526 PolarHBondContact O-N 3.45Å; R523-D547 WeakPolarHBondContact CG-OD2 3.05Å; R523-D547 IonicContact CZ-OD1 3.3Å; R523-D547 IonicContact CZ-OD2 3.7Å; R523-D547 IonicContact NE-OD1 2.63Å; R523-D547 PolarHBondContact NE-OD1 3.11Å; R523-D547 IonicContact NE-OD2 3.62Å; R523-D547 PolarHBondContact NE-OD2 3.14Å; R523-D547 IonicContact NH2-OD1 2.93Å; R523-D547 PolarHBondContact NH2-OD1 3.35Å; R523-D547 IonicContact NH2-OD2 3.51Å; R523-D547 PolarHBondContact NH2-OD2 3.25Å; R523-D549 HydrophobicContact CB-CB 4.02Å; R523-D549 PolarHBondContact N-O 3.34Å; R523-G553 VanDerWaalsContact CD-O 3.23Å; R523-G553 WeakPolarHBondContact CD-O 3.24Å; R523-G553 PolarHBondContact NH1-O 2.82Å; R523-F554 HydrophobicContact CG-CD2 3.99Å; R523-F554 HydrophobicContact CG-CE2 3.44Å; R523-F554 VanDerWaalsContact CG-CE2 3.44Å; R523-F554 HydrophobicContact CG-CZ 3.96Å
524	G	94.8	Very high	96.5	Very high	2 Å²	2	19.9 Å²	19.9	2%	0.021	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-65.3	-17.4	-179	0	0	0	0	0	116.3	R522 R543 R544 D547	R522-G524 PolarHBondContact O-N 3.08Å; G524-R543 CarbonylContact O-C 3.59Å; G524-R543 WeakPolarHBondContact O-CA 3.4Å; G524-R543 VanDerWaalsContact O-CG 3.31Å; G524-R543 WeakPolarHBondContact O-CG 3.27Å; G524-R544 CarbonylContact C-O 3.51Å; G524-R544 WeakPolarHBondContact CA-O 3.01Å; G524-R544 PolarHBondContact O-N 3.23Å; G524-D547 VanDerWaalsContact CA-O 3.24Å; G524-D547 WeakPolarHBondContact CA-O 3.45Å; G524-D547 PolarHBondContact N-O 3.36Å; G524-D547 PolarHBondContact N-OD2 2.97Å
525	D	95.3	Very high	96.5	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.011	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-88	-5.2	173.6	-72.1	-33.3	0	0	0	112.3	R522 R523 R543 F579 R580 Q585	R522-D525 WeakPolarHBondContact CD-OD2 3.21Å; R522-D525 IonicContact CZ-OD2 2.93Å; R522-D525 IonicContact NH1-OD1 2.53Å; R522-D525 PolarHBondContact NH1-OD1 2.89Å; R522-D525 IonicContact NH1-OD2 3.91Å; R522-D525 PolarHBondContact NH1-OD2 3.09Å; R522-D525 PolarHBondContact O-N 3.41Å; R523-D525 PolarHBondContact O-N 2.96Å; R523-D525 VanDerWaalsContact O-N 3.16Å; D525-R543 IonicContact OD1-CZ 3.86Å; D525-R543 IonicContact OD1-NE 2.71Å; D525-R543 PolarHBondContact OD1-NE 3.02Å; D525-R543 IonicContact OD1-NH2 2.83Å; D525-F579 HydrophobicContact CB-CD1 4.1Å; D525-F579 CarbonylContact O-C 3.23Å; D525-F579 WeakPolarHBondContact O-CA 3.4Å; D525-R580 PolarHBondContact O-N 3.42Å; D525-Q585 HydrophobicContact CB-CG 4.05Å; D525-Q585 PolarHBondContact OD2-NE2 3.49Å; D525-Q585 VanDerWaalsContact OD2-NE2 3.12Å
526	L	95.6	Very high	96.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	142.4	175.2	-71.5	169.6	0	0	0	110.9	F484 V518 A520 R523 L541 F554 V577 G578 F579	F484-L526 HydrophobicContact CE2-CD2 3.87Å; F484-L526 HydrophobicContact CZ-CD2 3.71Å; V518-L526 HydrophobicContact CG1-CD1 4Å; V518-L526 HydrophobicContact CG2-CD1 4.49Å; A520-L526 HydrophobicContact CB-CD1 3.87Å; A520-L526 HydrophobicContact CB-CD2 4.05Å; A520-L526 HydrophobicContact CB-CG 3.96Å; R523-L526 HydrophobicContact CG-CD1 4.21Å; R523-L526 VanDerWaalsContact O-CB 3.22Å; R523-L526 WeakPolarHBondContact O-CB 3.48Å; R523-L526 WeakPolarHBondContact O-CG 3.49Å; R523-L526 PolarHBondContact O-N 3.45Å; L526-L541 HydrophobicContact CB-CD2 3.98Å; L526-F554 HydrophobicContact CD1-CD2 4.17Å; L526-F554 HydrophobicContact CD1-CE2 4.09Å; L526-V577 HydrophobicContact CD2-CG1 4.37Å; L526-G578 WeakPolarHBondContact CA-O 3.4Å; L526-F579 HydrophobicContact CD2-CD1 3.99Å; L526-F579 HydrophobicContact CD2-CE1 3.39Å; L526-F579 HydrophobicContact CD2-CZ 3.8Å; L526-F579 HydrophobicContact CG-CD1 4.45Å; L526-F579 HydrophobicContact CG-CE1 3.94Å
527	N	95.4	Very high	96.4	Very high	28 Å²	28	25.2 Å²	25.2	15%	0.15	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	127.8	166.1	174.3	-120.1	0	0	0	108.6	N529 L541 G578 R580	N527-N529 PolarHBondContact OD1-ND2 3.28Å; N527-L541 WeakPolarHBondContact CA-O 3.41Å; N527-L541 PolarHBondContact ND2-O 3.07Å; N527-G578 PolarHBondContact N-O 2.93Å; N527-G578 PolarHBondContact O-N 3.11Å; N527-R580 HydrophobicContact CB-CB 4.49Å
528	I	97.4	Very high	96.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	123.9	-178.6	-55.1	176.3	0	0	0	107.9	L540 L541 F559 L575 E576 V577	I528-L540 HydrophobicContact CB-CB 4.26Å; I528-L540 HydrophobicContact CG2-CB 4.03Å; I528-L540 HydrophobicContact CG2-CD1 4.12Å; I528-L540 PolarHBondContact O-N 2.77Å; I528-L541 HydrophobicContact CB-CB 4Å; I528-L541 HydrophobicContact CD1-CB 4.27Å; I528-L541 HydrophobicContact CD1-CD2 4.09Å; I528-L541 HydrophobicContact CG1-CB 4.14Å; I528-L541 HydrophobicContact CG1-CD2 4.33Å; I528-L541 PolarHBondContact N-O 3.41Å; I528-L541 VanDerWaalsContact N-O 3.08Å; I528-L541 PolarHBondContact O-N 3.35Å; I528-F559 HydrophobicContact CD1-CD2 4.44Å; I528-F559 HydrophobicContact CD1-CE2 3.77Å; I528-F559 HydrophobicContact CD1-CZ 3.99Å; I528-L575 HydrophobicContact CG2-CD1 3.64Å; I528-L575 HydrophobicContact CG2-CG 4.36Å; I528-E576 WeakPolarHBondContact CA-O 2.98Å; I528-V577 HydrophobicContact CG1-CG1 4.3Å; I528-V577 HydrophobicContact CG1-CG2 4.47Å; I528-V577 HydrophobicContact CG2-CG2 4.41Å
529	N	97.3	Very high	96.3	Very high	10 Å²	10	26.2 Å²	26.2	5%	0.053	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	148.5	172.7	-49.9	-58.3	0	0	0	109.7	N527 S538 E576	N527-N529 PolarHBondContact OD1-ND2 3.28Å; N529-S538 CarbonylContact C-O 3.57Å; N529-S538 VanDerWaalsContact CA-O 3.27Å; N529-S538 WeakPolarHBondContact CA-O 3.35Å; N529-E576 HydrophobicContact CB-CB 4.41Å; N529-E576 PolarHBondContact N-O 3.07Å; N529-E576 PolarHBondContact O-N 3.07Å
530	M	97.7	Very high	96.4	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.015	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	139	175.4	-177	168.4	65.8	0	0	109.8	V512 A514 K537 S538 L540 T561 W573 V574 L575 L594	V512-M530 HydrophobicContact CB-CE 4.24Å; V512-M530 HydrophobicContact CG1-CE 3.49Å; V512-M530 VanDerWaalsContact CG1-CE 3.49Å; V512-M530 HydrophobicContact CG1-SD 4.28Å; A514-M530 HydrophobicContact CB-SD 4.05Å; M530-K537 CarbonylContact O-C 3.52Å; M530-K537 WeakPolarHBondContact O-CA 3.29Å; M530-S538 PolarHBondContact N-O 3.09Å; M530-S538 PolarHBondContact O-N 3.32Å; M530-L540 HydrophobicContact CB-CD1 3.7Å; M530-L540 HydrophobicContact CB-CG 4.04Å; M530-L540 HydrophobicContact CE-CD1 4.24Å; M530-L540 HydrophobicContact CE-CD2 4.24Å; M530-L540 HydrophobicContact SD-CD1 4.31Å; M530-T561 HydrophobicContact CE-CG2 3.54Å; M530-W573 HydrophobicContact CE-CE3 4.4Å; M530-W573 HydrophobicContact CE-CZ3 4.06Å; M530-W573 HydrophobicContact CG-CE3 3.94Å; M530-W573 HydrophobicContact CG-CZ3 4.3Å; M530-W573 HydrophobicContact SD-CE3 3.9Å; M530-W573 HydrophobicContact SD-CZ3 4.18Å; M530-V574 CarbonylContact C-O 3.59Å; M530-V574 VanDerWaalsContact CA-O 3.29Å; M530-V574 WeakPolarHBondContact CA-O 3.24Å; M530-L575 HydrophobicContact CB-CD1 4.34Å; M530-L594 HydrophobicContact SD-CD1 4.05Å
531	T	98.3	Very high	96.5	Very high	31 Å²	31	23.6 Å²	23.6	19%	0.19	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.2	176.9	-49.8	0	0	0	0	109.7	T536 V574	T531-T536 CarbonylContact C-O 3.51Å; T531-T536 VanDerWaalsContact CA-O 3.3Å; T531-T536 WeakPolarHBondContact CA-O 3.39Å; T531-V574 PolarHBondContact N-O 3.26Å; T531-V574 PolarHBondContact O-N 3.1Å
532	S	98.1	Very high	96.4	Very high	5 Å²	5	21.6 Å²	21.6	4%	0.035	12%	0.123	C	C	.	.			trans	-75.7	163.5	176.4	76.5	0	0	0	0	112	M534 G535 T536 E567	S532-M534 PolarHBondContact O-N 3.19Å; S532-M534 PolarHBondContact OG-N 3.41Å; S532-G535 WeakPolarHBondContact O-CA 3.41Å; S532-G535 PolarHBondContact O-N 2.96Å; S532-T536 PolarHBondContact N-O 3.13Å; S532-T536 WeakPolarHBondContact OG-CB 3.47Å; S532-T536 PolarHBondContact OG-N 3.27Å; S532-T536 VanDerWaalsContact OG-N 3.09Å; S532-E567 WeakPolarHBondContact CB-OE2 3.31Å; S532-E567 PolarHBondContact OG-OE2 3.22Å
533	P	97.5	Very high	96.4	Very high	41 Å²	41	22.7 Å²	22.7	27%	0.266	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-31.5	175.5	-26.1	35.2	0	0	0	113.7	G535 R570 W573	P533-G535 PolarHBondContact O-N 3.32Å; P533-R570 WeakPolarHBondContact CB-O 3.5Å; P533-R570 WeakPolarHBondContact CG-O 3.31Å; P533-W573 HydrophobicContact CG-CD2 4.47Å; P533-W573 HydrophobicContact CG-CG 4.35Å; P533-W573 HydrophobicContact CG-CZ2 4.48Å
534	M	96.1	Very high	96.3	Very high	68 Å²	68	21.5 Å²	21.5	34%	0.335	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	1.6	175.7	-59.5	-173.9	80.7	0	0	113.4	G438 S532 E567	G438-M534 WeakPolarHBondContact O-CE 3.46Å; S532-M534 PolarHBondContact O-N 3.19Å; S532-M534 PolarHBondContact OG-N 3.41Å; M534-E567 HydrophobicContact CG-CB 4.43Å; M534-E567 HydrophobicContact SD-CB 3.54Å; M534-E567 VanDerWaalsContact SD-CB 3.54Å; M534-E567 HydrophobicContact SD-CG 3.66Å
535	G	96.5	Very high	96.2	Very high	53 Å²	53	23.7 Å²	23.7	55%	0.546	14%	0.136	S	C	.	.			trans	92.9	6.4	173.9	0	0	0	0	0	115.3	S532 P533 K537	S532-G535 WeakPolarHBondContact O-CA 3.41Å; S532-G535 PolarHBondContact O-N 2.96Å; P533-G535 PolarHBondContact O-N 3.32Å; G535-K537 PolarHBondContact O-N 2.77Å
536	T	97.6	Very high	96.1	Very high	6 Å²	6	28.7 Å²	28.7	4%	0.037	16%	0.155	C	C	.	.			trans	-76	119.8	179.6	-63.7	0	0	0	0	110.8	N437 G438 F443 T531 S532 H563 T564 E567	N437-T536 VanDerWaalsContact CA-OG1 3.24Å; N437-T536 WeakPolarHBondContact CA-OG1 3.15Å; N437-T536 HydrophobicContact CB-CG2 4.01Å; G438-T536 PolarHBondContact N-OG1 3.22Å; F443-T536 HydrophobicContact CE1-CG2 3.83Å; F443-T536 HydrophobicContact CZ-CG2 3.79Å; T531-T536 CarbonylContact C-O 3.51Å; T531-T536 VanDerWaalsContact CA-O 3.3Å; T531-T536 WeakPolarHBondContact CA-O 3.39Å; S532-T536 PolarHBondContact N-O 3.13Å; S532-T536 WeakPolarHBondContact OG-CB 3.47Å; S532-T536 PolarHBondContact OG-N 3.27Å; S532-T536 VanDerWaalsContact OG-N 3.09Å; T536-H563 HydrophobicContact CG2-CB 4.25Å; T536-T564 HydrophobicContact CG2-CG2 3.85Å; T536-E567 WeakPolarHBondContact CB-OE1 3.32Å; T536-E567 PolarHBondContact OG1-OE1 2.88Å
537	K	96.8	Very high	96.1	Very high	72 Å²	72	28.8 Å²	28.8	31%	0.313	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	114.1	-179.2	-174.6	172.3	-170.6	155.3	0	112.1	R435 M530 G535 E576	R435-K537 VanDerWaalsContact CZ-O 3.27Å; R435-K537 PolarHBondContact NH1-O 3.47Å; R435-K537 PolarHBondContact NH2-O 3.22Å; M530-K537 CarbonylContact O-C 3.52Å; M530-K537 WeakPolarHBondContact O-CA 3.29Å; G535-K537 PolarHBondContact O-N 2.77Å; K537-E576 VanDerWaalsContact CE-OE2 3.3Å; K537-E576 WeakPolarHBondContact CE-OE2 3.38Å; K537-E576 IonicContact NZ-OE2 3.61Å; K537-E576 PolarHBondContact NZ-OE2 2.88Å
538	S	96.9	Very high	96	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.014	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	135.3	172.2	-68.2	0	0	0	0	111.6	N529 M530 T561 H563	N529-S538 CarbonylContact C-O 3.57Å; N529-S538 VanDerWaalsContact CA-O 3.27Å; N529-S538 WeakPolarHBondContact CA-O 3.35Å; M530-S538 PolarHBondContact N-O 3.09Å; M530-S538 PolarHBondContact O-N 3.32Å; S538-T561 WeakPolarHBondContact CB-OG1 3.16Å; S538-T561 PolarHBondContact OG-OG1 2.93Å; S538-H563 WeakPolarHBondContact OG-CB 3.03Å; S538-H563 PolarHBondContact OG-ND1 3.34Å
539	I	96.3	Very high	95.8	Very high	29 Å²	29	33.8 Å²	33.8	15%	0.149	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	111.4	169.9	-57.6	168.9	0	0	0	105.4	S353 H445 S542	S353-I539 WeakPolarHBondContact CB-O 3.36Å; S353-I539 PolarHBondContact OG-O 2.93Å; H445-I539 PolarHBondContact CE1-O 3.26Å; I539-S542 WeakPolarHBondContact CG2-OG 3.47Å
540	L	96.9	Very high	95.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-30.2	-178.8	-64.5	-174.6	0	0	0	111.9	N323 A514 I528 M530 F559 T561 L575	N323-L540 WeakPolarHBondContact CB-O 3.47Å; N323-L540 PolarHBondContact ND2-O 3.12Å; A514-L540 HydrophobicContact CB-CD1 3.62Å; I528-L540 HydrophobicContact CB-CB 4.26Å; I528-L540 HydrophobicContact CG2-CB 4.03Å; I528-L540 HydrophobicContact CG2-CD1 4.12Å; I528-L540 PolarHBondContact O-N 2.77Å; M530-L540 HydrophobicContact CB-CD1 3.7Å; M530-L540 HydrophobicContact CB-CG 4.04Å; M530-L540 HydrophobicContact CE-CD1 4.24Å; M530-L540 HydrophobicContact CE-CD2 4.24Å; M530-L540 HydrophobicContact SD-CD1 4.31Å; L540-F559 HydrophobicContact CB-CB 4.03Å; L540-F559 HydrophobicContact CB-CD1 4.37Å; L540-F559 HydrophobicContact CB-CG 4.27Å; L540-F559 HydrophobicContact CD1-CB 4.08Å; L540-F559 HydrophobicContact CD2-CB 4.38Å; L540-F559 HydrophobicContact CG-CB 4.4Å; L540-F559 VanDerWaalsContact O-CD1 3.26Å; L540-F559 WeakPolarHBondContact O-CD1 3.49Å; L540-T561 HydrophobicContact CD2-CG2 4.34Å; L540-L575 HydrophobicContact CD1-CD1 4.16Å
541	L	96.6	Very high	95.1	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	121.2	174.7	-179.2	65.7	0	0	0	110.1	D321 L526 N527 I528 F554 F559	D321-L541 HydrophobicContact CB-CD1 4.3Å; L526-L541 HydrophobicContact CB-CD2 3.98Å; N527-L541 WeakPolarHBondContact CA-O 3.41Å; N527-L541 PolarHBondContact ND2-O 3.07Å; I528-L541 HydrophobicContact CB-CB 4Å; I528-L541 HydrophobicContact CD1-CB 4.27Å; I528-L541 HydrophobicContact CD1-CD2 4.09Å; I528-L541 HydrophobicContact CG1-CB 4.14Å; I528-L541 HydrophobicContact CG1-CD2 4.33Å; I528-L541 PolarHBondContact N-O 3.41Å; I528-L541 VanDerWaalsContact N-O 3.08Å; I528-L541 PolarHBondContact O-N 3.35Å; L541-F554 HydrophobicContact CD1-CZ 4.25Å; L541-F554 HydrophobicContact CD2-CD2 4.5Å; L541-F554 HydrophobicContact CD2-CE2 3.43Å; L541-F554 VanDerWaalsContact CD2-CE2 3.43Å; L541-F554 HydrophobicContact CD2-CZ 3.61Å; L541-F559 HydrophobicContact CB-CE1 3.92Å; L541-F559 HydrophobicContact CB-CZ 4.33Å; L541-F559 HydrophobicContact CD1-CE1 4.21Å; L541-F559 HydrophobicContact CD2-CE1 4.38Å; L541-F559 HydrophobicContact CD2-CZ 4.17Å; L541-F559 HydrophobicContact CG-CE1 4.4Å
542	S	93.8	Very high	94.7	Very high	18 Å²	18	48 Å²	48	13%	0.126	26%	0.257	C	S	.	.			trans	-85.6	163.7	169.7	-67.7	0	0	0	0	111.6	D321 I539 R544	D321-S542 VanDerWaalsContact OD2-CB 3.32Å; D321-S542 WeakPolarHBondContact OD2-CB 3.48Å; D321-S542 PolarHBondContact OD2-N 3.35Å; D321-S542 PolarHBondContact OD2-OG 2.92Å; I539-S542 WeakPolarHBondContact CG2-OG 3.47Å; S542-R544 PolarHBondContact O-N 2.85Å
543	R	93.5	Very high	94.5	Very high	78 Å²	78	47.9 Å²	47.9	29%	0.294	26%	0.257	S	S	.	.			trans	-64.6	127.4	175.5	-177.2	-165.5	-172.2	-161.4	2.7	108.9	G524 D525 P545 R580	G524-R543 CarbonylContact O-C 3.59Å; G524-R543 WeakPolarHBondContact O-CA 3.4Å; G524-R543 VanDerWaalsContact O-CG 3.31Å; G524-R543 WeakPolarHBondContact O-CG 3.27Å; D525-R543 IonicContact OD1-CZ 3.86Å; D525-R543 IonicContact OD1-NE 2.71Å; D525-R543 PolarHBondContact OD1-NE 3.02Å; D525-R543 IonicContact OD1-NH2 2.83Å; R543-P545 WeakPolarHBondContact O-CD 3.42Å; R543-R580 HydrophobicContact CB-CB 4.31Å; R543-R580 WeakPolarHBondContact CD-O 3.49Å; R543-R580 WeakPolarHBondContact CG-O 3.12Å; R543-R580 PolarHBondContact NE-O 3.31Å
544	R	94.9	Very high	94.4	Very high	2 Å²	2	46 Å²	46	1%	0.008	25%	0.245	C	C	.	.			trans	-109.8	97.7	173.6	-60.2	-164.9	-55.5	160.3	2.1	109.9	K281 T282 D320 D321 C324 G524 S542 R546 D547	K281-R544 PolarHBondContact O-NH2 2.87Å; T282-R544 PolarHBondContact O-NH1 3.01Å; D320-R544 WeakPolarHBondContact OD1-CD 3.35Å; D320-R544 IonicContact OD1-CZ 3.21Å; D320-R544 IonicContact OD1-NH1 3.62Å; D320-R544 PolarHBondContact OD1-NH1 3.32Å; D321-R544 HydrophobicContact CB-CG 4.29Å; C324-R544 PolarHBondContact SG-NH1 2.99Å; G524-R544 CarbonylContact C-O 3.51Å; G524-R544 WeakPolarHBondContact CA-O 3.01Å; G524-R544 PolarHBondContact O-N 3.23Å; S542-R544 PolarHBondContact O-N 2.85Å; R544-R546 PolarHBondContact O-N 2.79Å; R544-R546 VanDerWaalsContact O-N 3.08Å; R544-D547 HydrophobicContact CB-CB 4Å; R544-D547 IonicContact CZ-OD2 3.74Å; R544-D547 IonicContact NE-OD2 3.08Å; R544-D547 IonicContact NH2-OD2 3.66Å; R544-D547 PolarHBondContact NH2-OD2 2.94Å; R544-D547 PolarHBondContact O-N 2.95Å
545	P	92.8	Very high	94.4	Very high	47 Å²	47	48.2 Å²	48.2	31%	0.305	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-19.7	-168.2	-23.7	34.9	0	0	0	114.6	Y319 R522 R543	Y319-P545 HydrophobicContact CD1-CG 4.39Å; R522-P545 PolarHBondContact NH2-O 3.47Å; R543-P545 WeakPolarHBondContact O-CD 3.42Å
546	R	93.2	Very high	94.3	Very high	107 Å²	107	52 Å²	52	40%	0.404	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-22.9	-177.5	-69.2	-179.6	-173.1	171.6	6.9	112.6	D279 K281 R544 D548	D279-R546 WeakPolarHBondContact O-CD 3.16Å; D279-R546 PolarHBondContact O-NH1 2.83Å; K281-R546 HydrophobicContact CD-CB 4.28Å; K281-R546 VanDerWaalsContact CD-O 3.31Å; K281-R546 WeakPolarHBondContact CD-O 3.49Å; K281-R546 WeakPolarHBondContact CE-O 3.39Å; K281-R546 HydrophobicContact CG-CB 3.7Å; K281-R546 WeakPolarHBondContact CG-O 3.4Å; R544-R546 PolarHBondContact O-N 2.79Å; R544-R546 VanDerWaalsContact O-N 3.08Å; R546-D548 PolarHBondContact O-N 2.84Å; R546-D548 VanDerWaalsContact O-N 3.13Å
547	D	94.7	Very high	94.3	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.011	26%	0.264	C	S	.	.			trans	-74	99.3	-178.4	-178	13.9	0	0	0	111.1	G280 R523 G524 R544 D549	G280-D547 WeakPolarHBondContact O-CB 3.38Å; G280-D547 PolarHBondContact O-N 3.23Å; R523-D547 WeakPolarHBondContact CG-OD2 3.05Å; R523-D547 IonicContact CZ-OD1 3.3Å; R523-D547 IonicContact CZ-OD2 3.7Å; R523-D547 IonicContact NE-OD1 2.63Å; R523-D547 PolarHBondContact NE-OD1 3.11Å; R523-D547 IonicContact NE-OD2 3.62Å; R523-D547 PolarHBondContact NE-OD2 3.14Å; R523-D547 IonicContact NH2-OD1 2.93Å; R523-D547 PolarHBondContact NH2-OD1 3.35Å; R523-D547 IonicContact NH2-OD2 3.51Å; R523-D547 PolarHBondContact NH2-OD2 3.25Å; G524-D547 VanDerWaalsContact CA-O 3.24Å; G524-D547 WeakPolarHBondContact CA-O 3.45Å; G524-D547 PolarHBondContact N-O 3.36Å; G524-D547 PolarHBondContact N-OD2 2.97Å; R544-D547 HydrophobicContact CB-CB 4Å; R544-D547 IonicContact CZ-OD2 3.74Å; R544-D547 IonicContact NE-OD2 3.08Å; R544-D547 IonicContact NH2-OD2 3.66Å; R544-D547 PolarHBondContact NH2-OD2 2.94Å; R544-D547 PolarHBondContact O-N 2.95Å; D547-D549 PolarHBondContact OD1-N 2.91Å
548	D	93.1	Very high	94.3	Very high	105 Å²	105	52.1 Å²	52.1	56%	0.561	26%	0.263	S	S	*	.			trans	-100.6	15.2	179.9	64.5	-17.5	0	0	0	113.4	R546 S550	R546-D548 PolarHBondContact O-N 2.84Å; R546-D548 VanDerWaalsContact O-N 3.13Å; D548-S550 PolarHBondContact O-N 3.1Å
549	D	93.1	Very high	94.3	Very high	29 Å²	29	52 Å²	52	16%	0.155	26%	0.262	C	S	.	.			trans	-57.8	130.4	176.4	177.6	-111.5	0	0	0	111	R522 R523 D547 K551 V552 G553	R522-D549 CarbonylContact C-O 3.49Å; R522-D549 VanDerWaalsContact CA-O 3.28Å; R522-D549 WeakPolarHBondContact CA-O 3.38Å; R523-D549 HydrophobicContact CB-CB 4.02Å; R523-D549 PolarHBondContact N-O 3.34Å; D547-D549 PolarHBondContact OD1-N 2.91Å; D549-K551 PolarHBondContact OD2-N 2.73Å; D549-V552 PolarHBondContact OD1-N 2.97Å; D549-V552 VanDerWaalsContact OD1-N 3.1Å; D549-V552 PolarHBondContact OD2-N 3.41Å; D549-G553 PolarHBondContact OD1-N 2.94Å
550	S	91	Very high	94.4	Very high	73 Å²	73	50.8 Å²	50.8	51%	0.51	26%	0.256	S	S	.	.			trans	-128.9	4.5	-179	53.6	0	0	0	0	112.1	T521 D548	T521-S550 WeakPolarHBondContact O-CB 3.39Å; D548-S550 PolarHBondContact O-N 3.1Å
551	K	89.8	Confident	94.4	Very high	179 Å²	179	50.8 Å²	50.8	78%	0.778	26%	0.256	S	S	*	.	S	Bend	trans	-113.2	-50.2	-169.9	-64.7	-179.6	-177.8	175.1	0	111.7	D549	D549-K551 PolarHBondContact OD2-N 2.73Å
552	V	89.6	Confident	94.4	Very high	89 Å²	89	50.8 Å²	50.8	54%	0.539	26%	0.256	S	S	.	.			trans	-92.5	-53.1	-169.3	-175.8	0	0	0	0	110.3	D549	D549-V552 PolarHBondContact OD1-N 2.97Å; D549-V552 VanDerWaalsContact OD1-N 3.1Å; D549-V552 PolarHBondContact OD2-N 3.41Å
553	G	93.2	Very high	94.6	Very high	3 Å²	3	49.9 Å²	49.9	3%	0.031	25%	0.25	C	C	.	.			trans	72.6	-137.5	-166.4	0	0	0	0	0	111.1	V518 R523 D549	V518-G553 CarbonylContact O-C 3.59Å; V518-G553 VanDerWaalsContact O-CA 3.3Å; V518-G553 WeakPolarHBondContact O-CA 3.44Å; R523-G553 VanDerWaalsContact CD-O 3.23Å; R523-G553 WeakPolarHBondContact CD-O 3.24Å; R523-G553 PolarHBondContact NH1-O 2.82Å; D549-G553 PolarHBondContact OD1-N 2.94Å
554	F	96.5	Very high	94.8	Very high	3 Å²	3	46.2 Å²	46.2	1%	0.013	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	134.2	168.7	-65.2	-84.7	0	0	0	108.7	V283 T517 V518 R523 L526 L541 W557 F559	V283-F554 HydrophobicContact CB-CE1 4.44Å; V283-F554 HydrophobicContact CG1-CD1 4.08Å; V283-F554 HydrophobicContact CG1-CE1 3.8Å; V283-F554 HydrophobicContact CG2-CE1 3.79Å; V283-F554 HydrophobicContact CG2-CZ 4.28Å; T517-F554 CarbonylContact C-O 3.54Å; T517-F554 VanDerWaalsContact CA-O 3.28Å; T517-F554 WeakPolarHBondContact CA-O 3.47Å; V518-F554 HydrophobicContact CG1-CB 4.05Å; V518-F554 HydrophobicContact CG1-CD2 3.83Å; V518-F554 HydrophobicContact CG1-CG 4.42Å; V518-F554 PolarHBondContact N-O 2.56Å; V518-F554 PolarHBondContact O-N 3.32Å; R523-F554 HydrophobicContact CG-CD2 3.99Å; R523-F554 HydrophobicContact CG-CE2 3.44Å; R523-F554 VanDerWaalsContact CG-CE2 3.44Å; R523-F554 HydrophobicContact CG-CZ 3.96Å; L526-F554 HydrophobicContact CD1-CD2 4.17Å; L526-F554 HydrophobicContact CD1-CE2 4.09Å; L541-F554 HydrophobicContact CD1-CZ 4.25Å; L541-F554 HydrophobicContact CD2-CD2 4.5Å; L541-F554 HydrophobicContact CD2-CE2 3.43Å; L541-F554 VanDerWaalsContact CD2-CE2 3.43Å; L541-F554 HydrophobicContact CD2-CZ 3.61Å; F554-W557 HydrophobicContact CB-CB 3.89Å; F554-W557 HydrophobicContact CD1-CB 3.79Å; F554-W557 AromaticContact CD1-CD1 3.92Å; F554-W557 HydrophobicContact CD1-CD2 4.32Å; F554-W557 AromaticContact CD1-CG 3.7Å; F554-W557 HydrophobicContact CD1-CG 3.7Å; F554-W557 HydrophobicContact CE1-CG 4.34Å; F554-W557 HydrophobicContact CG-CB 4.26Å; F554-F559 HydrophobicContact CD1-CE2 4.27Å; F554-F559 AromaticContact CD1-CZ 3.73Å; F554-F559 HydrophobicContact CD1-CZ 3.73Å; F554-F559 HydrophobicContact CD2-CZ 4.1Å; F554-F559 HydrophobicContact CE1-CE1 4.2Å; F554-F559 AromaticContact CE1-CZ 3.62Å; F554-F559 HydrophobicContact CE1-CZ 3.62Å; F554-F559 HydrophobicContact CE2-CZ 4.01Å; F554-F559 HydrophobicContact CG-CE2 4.25Å; F554-F559 AromaticContact CG-CZ 3.97Å; F554-F559 HydrophobicContact CG-CZ 3.97Å; F554-F559 HydrophobicContact CZ-CE1 4.36Å; F554-F559 AromaticContact CZ-CZ 3.77Å; F554-F559 HydrophobicContact CZ-CZ 3.77Å
555	D	95.2	Very high	94.9	Very high	113 Å²	113	46.2 Å²	46.2	60%	0.604	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-120.3	112.4	176.5	-173.6	29.7	0	0	0	109.2	W557	D555-W557 PolarHBondContact O-N 2.89Å
556	K	95.3	Very high	95.1	Very high	133 Å²	133	44.3 Å²	44.3	58%	0.578	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	44.8	39.2	-175.5	-61.7	-176.2	176.5	-177.4	0	113.7	V515 V516 T517 P558	V515-K556 HydrophobicContact CG1-CB 4.11Å; V515-K556 WeakPolarHBondContact CG1-O 3.24Å; V516-K556 PolarHBondContact O-N 3.26Å; T517-K556 PolarHBondContact OG1-N 2.84Å; K556-P558 WeakPolarHBondContact O-CD 3.33Å
557	W	97.4	Very high	95.2	Very high	34 Å²	34	39.2 Å²	39.2	13%	0.129	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	124	-176.4	-171.3	-100.6	0	0	0	110.7	V283 D284 N323 C324 V515 V516 F554 D555 F559	V283-W557 HydrophobicContact CG1-CD2 3.84Å; V283-W557 HydrophobicContact CG1-CE3 3.78Å; V283-W557 HydrophobicContact CG1-CH2 3.76Å; V283-W557 HydrophobicContact CG1-CZ2 3.81Å; V283-W557 HydrophobicContact CG1-CZ3 3.74Å; D284-W557 WeakPolarHBondContact O-CH2 3.25Å; N323-W557 PolarHBondContact O-NE1 3.18Å; C324-W557 WeakPolarHBondContact O-CZ2 3.38Å; V515-W557 WeakPolarHBondContact CA-O 3.25Å; V516-W557 PolarHBondContact N-O 3.36Å; V516-W557 PolarHBondContact O-N 2.02Å; F554-W557 HydrophobicContact CB-CB 3.89Å; F554-W557 HydrophobicContact CD1-CB 3.79Å; F554-W557 AromaticContact CD1-CD1 3.92Å; F554-W557 HydrophobicContact CD1-CD2 4.32Å; F554-W557 AromaticContact CD1-CG 3.7Å; F554-W557 HydrophobicContact CD1-CG 3.7Å; F554-W557 HydrophobicContact CE1-CG 4.34Å; F554-W557 HydrophobicContact CG-CB 4.26Å; D555-W557 PolarHBondContact O-N 2.89Å; W557-F559 HydrophobicContact CB-CE2 4.27Å; W557-F559 AromaticContact CD1-CD1 3.73Å; W557-F559 AromaticContact CD1-CD2 3.77Å; W557-F559 AromaticContact CD1-CE1 3.52Å; W557-F559 AromaticContact CD1-CE2 3.59Å; W557-F559 AromaticContact CD1-CG 3.84Å; W557-F559 AromaticContact CD1-CZ 3.46Å; W557-F559 VanDerWaalsContact CD1-CZ 3.46Å; W557-F559 HydrophobicContact CG-CE2 4.3Å; W557-F559 HydrophobicContact CG-CZ 4.33Å; W557-F559 AromaticContact NE1-CE1 3.85Å; W557-F559 PolarHBondContact O-N 3.1Å
558	P	96.6	Very high	95.3	Very high	46 Å²	46	40.2 Å²	40.2	30%	0.299	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	75.2	-173.6	36.2	-35.6	0	0	0	112.1	V515 K556 M560	V515-P558 HydrophobicContact CG2-CB 4.15Å; K556-P558 WeakPolarHBondContact O-CD 3.33Å; P558-M560 PolarHBondContact O-N 2.89Å
559	F	97.6	Very high	95.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	127.4	174.8	-67.7	-78.6	0	0	0	110.9	N323 Q513 A514 V516 I528 L540 L541 F554 W557	N323-F559 HydrophobicContact CB-CD1 3.99Å; Q513-F559 CarbonylContact C-O 3.53Å; Q513-F559 VanDerWaalsContact CA-O 3.25Å; Q513-F559 WeakPolarHBondContact CA-O 3.4Å; A514-F559 PolarHBondContact N-O 2.62Å; A514-F559 PolarHBondContact O-N 2.99Å; A514-F559 VanDerWaalsContact O-N 3.12Å; V516-F559 HydrophobicContact CB-CD2 4.14Å; V516-F559 HydrophobicContact CB-CE2 4.14Å; V516-F559 HydrophobicContact CG2-CD2 4.3Å; I528-F559 HydrophobicContact CD1-CD2 4.44Å; I528-F559 HydrophobicContact CD1-CE2 3.77Å; I528-F559 HydrophobicContact CD1-CZ 3.99Å; L540-F559 HydrophobicContact CB-CB 4.03Å; L540-F559 HydrophobicContact CB-CD1 4.37Å; L540-F559 HydrophobicContact CB-CG 4.27Å; L540-F559 HydrophobicContact CD1-CB 4.08Å; L540-F559 HydrophobicContact CD2-CB 4.38Å; L540-F559 HydrophobicContact CG-CB 4.4Å; L540-F559 VanDerWaalsContact O-CD1 3.26Å; L540-F559 WeakPolarHBondContact O-CD1 3.49Å; L541-F559 HydrophobicContact CB-CE1 3.92Å; L541-F559 HydrophobicContact CB-CZ 4.33Å; L541-F559 HydrophobicContact CD1-CE1 4.21Å; L541-F559 HydrophobicContact CD2-CE1 4.38Å; L541-F559 HydrophobicContact CD2-CZ 4.17Å; L541-F559 HydrophobicContact CG-CE1 4.4Å; F554-F559 HydrophobicContact CD1-CE2 4.27Å; F554-F559 AromaticContact CD1-CZ 3.73Å; F554-F559 HydrophobicContact CD1-CZ 3.73Å; F554-F559 HydrophobicContact CD2-CZ 4.1Å; F554-F559 HydrophobicContact CE1-CE1 4.2Å; F554-F559 AromaticContact CE1-CZ 3.62Å; F554-F559 HydrophobicContact CE1-CZ 3.62Å; F554-F559 HydrophobicContact CE2-CZ 4.01Å; F554-F559 HydrophobicContact CG-CE2 4.25Å; F554-F559 AromaticContact CG-CZ 3.97Å; F554-F559 HydrophobicContact CG-CZ 3.97Å; F554-F559 HydrophobicContact CZ-CE1 4.36Å; F554-F559 AromaticContact CZ-CZ 3.77Å; F554-F559 HydrophobicContact CZ-CZ 3.77Å; W557-F559 HydrophobicContact CB-CE2 4.27Å; W557-F559 AromaticContact CD1-CD1 3.73Å; W557-F559 AromaticContact CD1-CD2 3.77Å; W557-F559 AromaticContact CD1-CE1 3.52Å; W557-F559 AromaticContact CD1-CE2 3.59Å; W557-F559 AromaticContact CD1-CG 3.84Å; W557-F559 AromaticContact CD1-CZ 3.46Å; W557-F559 VanDerWaalsContact CD1-CZ 3.46Å; W557-F559 HydrophobicContact CG-CE2 4.3Å; W557-F559 HydrophobicContact CG-CZ 4.33Å; W557-F559 AromaticContact NE1-CE1 3.85Å; W557-F559 PolarHBondContact O-N 3.1Å
560	M	96.9	Very high	95.6	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.015	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	145.5	-172.3	-170.3	-86.4	-81.1	0	0	112.4	N323 S329 S353 V512 Q513 P558 T562	N323-M560 PolarHBondContact OD1-O 3.08Å; S329-M560 VanDerWaalsContact O-CB 3.3Å; S329-M560 WeakPolarHBondContact O-CB 3.39Å; S329-M560 WeakPolarHBondContact O-CE 3.41Å; S353-M560 PolarHBondContact OG-O 3.16Å; V512-M560 CarbonylContact O-C 3.53Å; V512-M560 WeakPolarHBondContact O-CA 3.3Å; Q513-M560 HydrophobicContact CG-CB 4.23Å; Q513-M560 HydrophobicContact CG-CG 4.08Å; P558-M560 PolarHBondContact O-N 2.89Å; M560-T562 HydrophobicContact CE-CG2 4.07Å; M560-T562 HydrophobicContact SD-CG2 3.65Å
561	T	97.8	Very high	95.9	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	139.7	168.7	-173.4	0	0	0	0	113.2	S353 V512 M530 S538 L540 H563	S353-T561 WeakPolarHBondContact CB-OG1 3.45Å; S353-T561 CarbonylContact O-C 3.57Å; S353-T561 VanDerWaalsContact O-CA 3.26Å; S353-T561 WeakPolarHBondContact O-CA 3.38Å; V512-T561 HydrophobicContact CB-CG2 3.93Å; V512-T561 PolarHBondContact N-O 3.44Å; V512-T561 VanDerWaalsContact N-O 3.1Å; V512-T561 PolarHBondContact O-N 3.1Å; M530-T561 HydrophobicContact CE-CG2 3.54Å; S538-T561 WeakPolarHBondContact CB-OG1 3.16Å; S538-T561 PolarHBondContact OG-OG1 2.93Å; L540-T561 HydrophobicContact CD2-CG2 4.34Å; T561-H563 PolarHBondContact OG1-N 2.84Å
562	T	97.6	Very high	96.3	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.012	16%	0.155	C	C	.	.			trans	-103.9	-5.1	172.1	61.8	0	0	0	0	112.6	S353 S354 T355 L356 Y449 M560 T564 W565	S353-T562 PolarHBondContact O-N 2.75Å; S353-T562 PolarHBondContact O-OG1 3Å; S354-T562 WeakPolarHBondContact O-CG2 3.41Å; T355-T562 PolarHBondContact O-OG1 3.12Å; L356-T562 HydrophobicContact CD1-CG2 3.94Å; Y449-T562 PolarHBondContact OH-O 3.21Å; M560-T562 HydrophobicContact CE-CG2 4.07Å; M560-T562 HydrophobicContact SD-CG2 3.65Å; T562-T564 PolarHBondContact O-N 2.83Å; T562-W565 WeakPolarHBondContact O-CB 3.16Å; T562-W565 PolarHBondContact O-N 3.18Å
563	H	97.4	Very high	96.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-23.3	-173.1	-58.2	158.8	0	0	0	114	N437 F443 H445 Y449 T536 S538 T561 W565	N437-H563 WeakPolarHBondContact CB-O 3.27Å; N437-H563 PolarHBondContact ND2-O 3.42Å; F443-H563 HydrophobicContact CD1-CB 4.29Å; F443-H563 HydrophobicContact CD2-CB 3.75Å; F443-H563 AromaticContact CD2-CD2 3.31Å; F443-H563 WeakPolarHBondContact CD2-CD2 3.26Å; F443-H563 AromaticContact CD2-CE1 3.99Å; F443-H563 AromaticContact CD2-CG 3.37Å; F443-H563 AromaticContact CD2-ND1 3.82Å; F443-H563 AromaticContact CD2-NE2 3.71Å; F443-H563 HydrophobicContact CE1-CB 4.17Å; F443-H563 HydrophobicContact CE2-CB 3.62Å; F443-H563 AromaticContact CE2-CD2 3.77Å; F443-H563 AromaticContact CE2-CE1 3.85Å; F443-H563 AromaticContact CE2-CG 3.36Å; F443-H563 AromaticContact CE2-ND1 3.43Å; F443-H563 WeakPolarHBondContact CE2-ND1 3.3Å; F443-H563 HydrophobicContact CG-CB 4.09Å; F443-H563 HydrophobicContact CZ-CB 3.83Å; H445-H563 AromaticContact ND1-CE1 3.66Å; Y449-H563 PolarHBondContact OH-O 2.88Å; T536-H563 HydrophobicContact CG2-CB 4.25Å; S538-H563 WeakPolarHBondContact OG-CB 3.03Å; S538-H563 PolarHBondContact OG-ND1 3.34Å; T561-H563 PolarHBondContact OG1-N 2.84Å; H563-W565 VanDerWaalsContact C-N 3.26Å; H563-W565 PolarHBondContact O-N 2.85Å
564	T	97.4	Very high	96.9	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.006	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	19	-179.7	53.5	0	0	0	0	112.3	L509 V512 T536 T562 G566 E567 W573	L509-T564 WeakPolarHBondContact CB-O 3.49Å; V512-T564 WeakPolarHBondContact CG2-OG1 3.23Å; T536-T564 HydrophobicContact CG2-CG2 3.85Å; T562-T564 PolarHBondContact O-N 2.83Å; T564-G566 PolarHBondContact O-N 2.97Å; T564-E567 WeakPolarHBondContact O-CB 3.48Å; T564-E567 WeakPolarHBondContact O-CG 3.14Å; T564-E567 PolarHBondContact O-N 2.85Å; T564-E567 VanDerWaalsContact O-N 3.12Å; T564-W573 HydrophobicContact CG2-CH2 4.23Å; T564-W573 HydrophobicContact CG2-CZ3 4.48Å
565	W	97.6	Very high	97	Very high	1 Å²	1	25.8 Å²	25.8	0%	0.004	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	129.1	-179.1	-158.8	-71	0	0	0	111.5	L356 Q415 H416 V419 N437 V439 Y449 E510 H511 T562 H563 E567 Y604	L356-W565 HydrophobicContact CD1-CE3 4.25Å; L356-W565 HydrophobicContact CD1-CZ3 4.04Å; Q415-W565 HydrophobicContact CB-CH2 3.75Å; Q415-W565 HydrophobicContact CB-CZ2 4.38Å; H416-W565 AromaticContact CD2-CZ2 3.81Å; H416-W565 AromaticContact CE1-CE2 3.83Å; H416-W565 AromaticContact CE1-CZ2 3.65Å; H416-W565 AromaticContact CE1-NE1 3.45Å; H416-W565 PolarHBondContact CE1-NE1 3.38Å; H416-W565 AromaticContact CG-CZ2 3.79Å; H416-W565 AromaticContact ND1-CE2 3.8Å; H416-W565 AromaticContact ND1-CZ2 3.7Å; H416-W565 AromaticContact ND1-NE1 3.29Å; H416-W565 PolarHBondContact ND1-NE1 3.41Å; H416-W565 AromaticContact NE2-CZ2 3.72Å; V419-W565 HydrophobicContact CG1-CG 4.23Å; V419-W565 HydrophobicContact CG2-CD2 3.88Å; V419-W565 HydrophobicContact CG2-CE3 4.05Å; V419-W565 HydrophobicContact CG2-CG 4.27Å; V419-W565 HydrophobicContact CG2-CZ2 4.49Å; V419-W565 HydrophobicContact CG2-CZ3 4.45Å; N437-W565 PolarHBondContact ND2-O 2.62Å; V439-W565 WeakPolarHBondContact CG2-O 3.49Å; Y449-W565 HydrophobicContact CE2-CB 4.49Å; Y449-W565 WeakPolarHBondContact OH-CB 3.07Å; E510-W565 HydrophobicContact CB-CE3 4.42Å; E510-W565 HydrophobicContact CB-CH2 3.92Å; E510-W565 HydrophobicContact CB-CZ2 4.03Å; E510-W565 HydrophobicContact CB-CZ3 4.13Å; E510-W565 HydrophobicContact CG-CH2 4.21Å; E510-W565 HydrophobicContact CG-CZ2 3.86Å; H511-W565 AromaticContact CE1-CH2 3.98Å; H511-W565 AromaticContact CE1-CZ3 3.92Å; H511-W565 AromaticContact NE2-CZ3 3.86Å; T562-W565 WeakPolarHBondContact O-CB 3.16Å; T562-W565 PolarHBondContact O-N 3.18Å; H563-W565 VanDerWaalsContact C-N 3.26Å; H563-W565 PolarHBondContact O-N 2.85Å; W565-E567 VanDerWaalsContact C-N 3.3Å; W565-E567 PolarHBondContact O-N 2.8Å; W565-Y604 PolarHBondContact NE1-OH 3.12Å
566	G	95.2	Very high	97.1	Very high	7 Å²	7	22.1 Å²	22.1	7%	0.072	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	-9.8	-179.1	0	0	0	0	0	115.3	V439 L509 T564	V439-G566 VanDerWaalsContact CG1-O 3.31Å; V439-G566 WeakPolarHBondContact CG1-O 3.04Å; L509-G566 PolarHBondContact O-N 2.81Å; T564-G566 PolarHBondContact O-N 2.97Å
567	E	96.4	Very high	97.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.09	C	C	.	.			trans	-70.3	150.7	-179.1	-67	-176.5	-169.4	0	0	113.1	N437 G438 V439 L509 S532 M534 T536 T564 W565 P569	N437-E567 VanDerWaalsContact CB-OE1 3.3Å; N437-E567 WeakPolarHBondContact CB-OE1 3.44Å; G438-E567 PolarHBondContact N-OE1 3.25Å; V439-E567 HydrophobicContact CG1-CG 4.22Å; L509-E567 WeakPolarHBondContact CB-O 3.48Å; L509-E567 HydrophobicContact CD1-CB 4.29Å; L509-E567 WeakPolarHBondContact CG-O 3.22Å; L509-E567 PolarHBondContact N-O 2.83Å; L509-E567 VanDerWaalsContact N-O 3.12Å; S532-E567 WeakPolarHBondContact CB-OE2 3.31Å; S532-E567 PolarHBondContact OG-OE2 3.22Å; M534-E567 HydrophobicContact CG-CB 4.43Å; M534-E567 HydrophobicContact SD-CB 3.54Å; M534-E567 VanDerWaalsContact SD-CB 3.54Å; M534-E567 HydrophobicContact SD-CG 3.66Å; T536-E567 WeakPolarHBondContact CB-OE1 3.32Å; T536-E567 PolarHBondContact OG1-OE1 2.88Å; T564-E567 WeakPolarHBondContact O-CB 3.48Å; T564-E567 WeakPolarHBondContact O-CG 3.14Å; T564-E567 PolarHBondContact O-N 2.85Å; T564-E567 VanDerWaalsContact O-N 3.12Å; W565-E567 VanDerWaalsContact C-N 3.3Å; W565-E567 PolarHBondContact O-N 2.8Å; E567-P569 WeakPolarHBondContact O-CD 3.3Å
568	D	95.7	Very high	97.2	Very high	23 Å²	23	14.4 Å²	14.4	12%	0.123	9%	0.086	C	C	.	.			trans	-73	116.7	164	-173.2	-15.6	0	0	0	110	R507 R570	R507-D568 WeakPolarHBondContact O-CA 3.48Å; D568-R570 VanDerWaalsContact C-N 3.3Å; D568-R570 PolarHBondContact O-N 3.47Å; D568-R570 VanDerWaalsContact OD1-CB 3.32Å; D568-R570 WeakPolarHBondContact OD1-CB 3.47Å; D568-R570 VanDerWaalsContact OD1-CG 3.28Å; D568-R570 WeakPolarHBondContact OD1-CG 3.5Å; D568-R570 PolarHBondContact OD1-N 3.08Å; D568-R570 IonicContact OD1-NE 3.53Å; D568-R570 PolarHBondContact OD1-NE 2.83Å; D568-R570 VanDerWaalsContact OD1-NE 3.16Å; D568-R570 IonicContact OD2-CZ 3.38Å; D568-R570 IonicContact OD2-NE 2.76Å; D568-R570 PolarHBondContact OD2-NE 3.32Å; D568-R570 IonicContact OD2-NH2 3.77Å; D568-R570 PolarHBondContact OD2-NH2 3.37Å
569	P	96.6	Very high	97.1	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.078	C	C	.	.			trans	-82	-1.7	-177.4	32.1	-33.9	0	0	0	114.7	A498 V506 R507 L509 E567 W573 L596	A498-P569 HydrophobicContact CB-CB 4.22Å; A498-P569 HydrophobicContact CB-CG 3.6Å; V506-P569 HydrophobicContact CG1-CG 4.38Å; V506-P569 WeakPolarHBondContact O-CG 3.36Å; R507-P569 WeakPolarHBondContact O-CD 3.49Å; L509-P569 HydrophobicContact CD1-CB 3.83Å; L509-P569 HydrophobicContact CD2-CB 3.88Å; L509-P569 HydrophobicContact CD2-CG 4.03Å; L509-P569 HydrophobicContact CG-CB 3.81Å; L509-P569 HydrophobicContact CG-CG 4Å; E567-P569 WeakPolarHBondContact O-CD 3.3Å; P569-W573 HydrophobicContact CB-CZ2 3.93Å; P569-W573 PolarHBondContact O-NE1 2.93Å; P569-L596 HydrophobicContact CB-CD1 3.61Å; P569-L596 HydrophobicContact CB-CD2 4.27Å; P569-L596 HydrophobicContact CB-CG 4.5Å; P569-L596 HydrophobicContact CG-CD1 4Å
570	R	96.4	Very high	96.8	Very high	55 Å²	55	21.5 Å²	21.5	21%	0.208	11%	0.107	C	C	.	.			trans	-68.4	139.3	178.6	-66	178.6	-66.8	-172	-0.5	111.1	T496 A498 P533 D568 E630	T496-R570 WeakPolarHBondContact O-CA 3.34Å; A498-R570 HydrophobicContact CB-CG 4.13Å; P533-R570 WeakPolarHBondContact CB-O 3.5Å; P533-R570 WeakPolarHBondContact CG-O 3.31Å; D568-R570 VanDerWaalsContact C-N 3.3Å; D568-R570 PolarHBondContact O-N 3.47Å; D568-R570 VanDerWaalsContact OD1-CB 3.32Å; D568-R570 WeakPolarHBondContact OD1-CB 3.47Å; D568-R570 VanDerWaalsContact OD1-CG 3.28Å; D568-R570 WeakPolarHBondContact OD1-CG 3.5Å; D568-R570 PolarHBondContact OD1-N 3.08Å; D568-R570 IonicContact OD1-NE 3.53Å; D568-R570 PolarHBondContact OD1-NE 2.83Å; D568-R570 VanDerWaalsContact OD1-NE 3.16Å; D568-R570 IonicContact OD2-CZ 3.38Å; D568-R570 IonicContact OD2-NE 2.76Å; D568-R570 PolarHBondContact OD2-NE 3.32Å; D568-R570 IonicContact OD2-NH2 3.77Å; D568-R570 PolarHBondContact OD2-NH2 3.37Å; R570-E630 IonicContact CZ-OE1 2.63Å; R570-E630 IonicContact NH1-OE1 2.68Å; R570-E630 PolarHBondContact NH1-OE1 3.43Å; R570-E630 IonicContact NH2-OE1 3.73Å; R570-E630 PolarHBondContact NH2-OE1 2.85Å
571	G	97	Very high	96.2	Very high	23 Å²	23	22.8 Å²	22.8	24%	0.237	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	113.8	-151.1	-178.9	0	0	0	0	0	112.8	T495 T496	T495-G571 WeakPolarHBondContact CA-O 3.43Å; T496-G571 PolarHBondContact N-O 2.93Å; T496-G571 PolarHBondContact O-N 3.03Å
572	T	98.2	Very high	95.5	Very high	61 Å²	61	29.7 Å²	29.7	37%	0.374	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	115.8	-168.2	-58.5	0	0	0	0	112	A493 T495 V574	A493-T572 HydrophobicContact CB-CG2 3.89Å; T495-T572 PolarHBondContact OG1-OG1 3.44Å; T572-V574 HydrophobicContact CG2-CG2 4.23Å
573	W	98.5	Very high	95	Very high	1 Å²	1	35.7 Å²	35.7	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	137.6	169	-70.9	78.1	0	0	0	110.3	A493 I494 L509 V512 M530 P533 T564 P569 L594 L596	A493-W573 CarbonylContact C-O 3.51Å; A493-W573 WeakPolarHBondContact CA-O 3.48Å; I494-W573 PolarHBondContact N-O 3.3Å; I494-W573 PolarHBondContact O-N 3.32Å; L509-W573 HydrophobicContact CD1-CH2 3.82Å; L509-W573 HydrophobicContact CD1-CZ2 3.81Å; V512-W573 HydrophobicContact CG1-CH2 4.14Å; V512-W573 HydrophobicContact CG1-CZ3 3.99Å; V512-W573 HydrophobicContact CG2-CH2 3.89Å; V512-W573 HydrophobicContact CG2-CZ3 4.47Å; M530-W573 HydrophobicContact CE-CE3 4.4Å; M530-W573 HydrophobicContact CE-CZ3 4.06Å; M530-W573 HydrophobicContact CG-CE3 3.94Å; M530-W573 HydrophobicContact CG-CZ3 4.3Å; M530-W573 HydrophobicContact SD-CE3 3.9Å; M530-W573 HydrophobicContact SD-CZ3 4.18Å; P533-W573 HydrophobicContact CG-CD2 4.47Å; P533-W573 HydrophobicContact CG-CG 4.35Å; P533-W573 HydrophobicContact CG-CZ2 4.48Å; T564-W573 HydrophobicContact CG2-CH2 4.23Å; T564-W573 HydrophobicContact CG2-CZ3 4.48Å; P569-W573 HydrophobicContact CB-CZ2 3.93Å; P569-W573 PolarHBondContact O-NE1 2.93Å; W573-L594 HydrophobicContact CB-CD2 3.79Å; W573-L594 HydrophobicContact CD2-CD1 4.21Å; W573-L594 HydrophobicContact CD2-CD2 3.81Å; W573-L594 HydrophobicContact CE3-CD1 4.2Å; W573-L594 HydrophobicContact CG-CD2 3.38Å; W573-L596 HydrophobicContact CZ2-CD2 3.97Å
574	V	98.4	Very high	94.8	Very high	38 Å²	38	40.8 Å²	40.8	23%	0.23	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	124.6	-178.3	-178.5	0	0	0	0	110.4	V491 L492 A493 M530 T531 T572 E576	V491-V574 HydrophobicContact CG1-CG1 3.45Å; V491-V574 VanDerWaalsContact CG1-CG1 3.45Å; L492-V574 CarbonylContact O-C 3.59Å; L492-V574 WeakPolarHBondContact O-CA 3.47Å; A493-V574 HydrophobicContact CB-CG2 4.49Å; M530-V574 CarbonylContact C-O 3.59Å; M530-V574 VanDerWaalsContact CA-O 3.29Å; M530-V574 WeakPolarHBondContact CA-O 3.24Å; T531-V574 PolarHBondContact N-O 3.26Å; T531-V574 PolarHBondContact O-N 3.1Å; T572-V574 HydrophobicContact CG2-CG2 4.23Å; V574-E576 HydrophobicContact CG1-CG 4.37Å
575	L	98.2	Very high	94.6	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	120.4	171.2	-170.6	76.9	0	0	0	109.7	V491 L492 V516 I528 M530 L540 V577 L589 W592	V491-L575 WeakPolarHBondContact CA-O 3.25Å; L492-L575 PolarHBondContact N-O 2.92Å; L492-L575 PolarHBondContact O-N 2.91Å; V516-L575 HydrophobicContact CG2-CD2 4.28Å; I528-L575 HydrophobicContact CG2-CD1 3.64Å; I528-L575 HydrophobicContact CG2-CG 4.36Å; M530-L575 HydrophobicContact CB-CD1 4.34Å; L540-L575 HydrophobicContact CD1-CD1 4.16Å; L575-V577 HydrophobicContact CD2-CG2 3.82Å; L575-V577 HydrophobicContact CG-CG2 3.97Å; L575-L589 HydrophobicContact CD2-CD2 4.21Å; L575-W592 HydrophobicContact CB-CD2 3.87Å; L575-W592 HydrophobicContact CB-CE3 3.7Å; L575-W592 HydrophobicContact CB-CH2 3.52Å; L575-W592 HydrophobicContact CB-CZ2 3.67Å; L575-W592 HydrophobicContact CB-CZ3 3.54Å; L575-W592 HydrophobicContact CD2-CB 4.12Å; L575-W592 HydrophobicContact CD2-CD2 3.6Å; L575-W592 HydrophobicContact CD2-CE3 3.94Å; L575-W592 HydrophobicContact CD2-CG 3.65Å; L575-W592 HydrophobicContact CG-CD2 4.27Å; L575-W592 HydrophobicContact CG-CE3 4.45Å
576	E	97.8	Very high	94.5	Very high	35 Å²	35	50.2 Å²	50.2	16%	0.164	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	117.5	172.9	-60	-176.1	105.8	0	0	109.6	L490 V491 I528 N529 K537 V574	L490-E576 CarbonylContact O-C 3.51Å; L490-E576 WeakPolarHBondContact O-CA 3.4Å; V491-E576 HydrophobicContact CG2-CG 4.36Å; I528-E576 WeakPolarHBondContact CA-O 2.98Å; N529-E576 HydrophobicContact CB-CB 4.41Å; N529-E576 PolarHBondContact N-O 3.07Å; N529-E576 PolarHBondContact O-N 3.07Å; K537-E576 VanDerWaalsContact CE-OE2 3.3Å; K537-E576 WeakPolarHBondContact CE-OE2 3.38Å; K537-E576 IonicContact NZ-OE2 3.61Å; K537-E576 PolarHBondContact NZ-OE2 2.88Å; V574-E576 HydrophobicContact CG1-CG 4.37Å
577	V	97.3	Very high	94.5	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.006	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	129.6	175.3	-172.4	0	0	0	0	109.2	F484 L490 L526 I528 L575 L589	F484-V577 HydrophobicContact CE1-CG1 4Å; F484-V577 HydrophobicContact CE2-CG1 3.72Å; F484-V577 HydrophobicContact CZ-CB 4.49Å; F484-V577 HydrophobicContact CZ-CG1 3.43Å; F484-V577 VanDerWaalsContact CZ-CG1 3.43Å; L490-V577 HydrophobicContact CB-CB 4.45Å; L490-V577 PolarHBondContact N-O 3.43Å; L490-V577 PolarHBondContact O-N 3.36Å; L526-V577 HydrophobicContact CD2-CG1 4.37Å; I528-V577 HydrophobicContact CG1-CG1 4.3Å; I528-V577 HydrophobicContact CG1-CG2 4.47Å; I528-V577 HydrophobicContact CG2-CG2 4.41Å; L575-V577 HydrophobicContact CD2-CG2 3.82Å; L575-V577 HydrophobicContact CG-CG2 3.97Å; V577-L589 HydrophobicContact CG2-CD2 4.17Å
578	G	95.8	Very high	94.5	Very high	4 Å²	4	52.1 Å²	52.1	4%	0.041	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	-170.8	178.7	0	0	0	0	0	112.6	L526 N527	L526-G578 WeakPolarHBondContact CA-O 3.4Å; N527-G578 PolarHBondContact N-O 2.93Å; N527-G578 PolarHBondContact O-N 3.11Å
579	F	95.2	Very high	94.6	Very high	31 Å²	31	51.1 Å²	51.1	14%	0.136	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	139.5	175.8	-67.1	-74.3	0	0	0	111.1	F484 A520 D525 L526 Q585 R586	F484-F579 AromaticContact CD2-CD2 3.92Å; F484-F579 HydrophobicContact CD2-CD2 3.92Å; F484-F579 AromaticContact CD2-CE2 3.45Å; F484-F579 HydrophobicContact CD2-CE2 3.45Å; F484-F579 VanDerWaalsContact CD2-CE2 3.45Å; F484-F579 HydrophobicContact CD2-CZ 4.2Å; F484-F579 AromaticContact CE2-CD2 3.81Å; F484-F579 HydrophobicContact CE2-CD2 3.81Å; F484-F579 HydrophobicContact CE2-CE1 4.32Å; F484-F579 AromaticContact CE2-CE2 3.2Å; F484-F579 HydrophobicContact CE2-CE2 3.2Å; F484-F579 AromaticContact CE2-CZ 3.5Å; F484-F579 HydrophobicContact CE2-CZ 3.5Å; F484-F579 HydrophobicContact CZ-CE2 4.13Å; F484-F579 HydrophobicContact CZ-CZ 4.04Å; A520-F579 HydrophobicContact CB-CE1 3.91Å; A520-F579 HydrophobicContact CB-CZ 4.06Å; D525-F579 HydrophobicContact CB-CD1 4.1Å; D525-F579 CarbonylContact O-C 3.23Å; D525-F579 WeakPolarHBondContact O-CA 3.4Å; L526-F579 HydrophobicContact CD2-CD1 3.99Å; L526-F579 HydrophobicContact CD2-CE1 3.39Å; L526-F579 HydrophobicContact CD2-CZ 3.8Å; L526-F579 HydrophobicContact CG-CD1 4.45Å; L526-F579 HydrophobicContact CG-CE1 3.94Å; F579-Q585 HydrophobicContact CB-CB 4.43Å; F579-Q585 HydrophobicContact CD1-CB 3.52Å; F579-Q585 HydrophobicContact CD1-CG 4.05Å; F579-Q585 HydrophobicContact CD2-CB 3.95Å; F579-Q585 HydrophobicContact CE1-CB 3.59Å; F579-Q585 HydrophobicContact CE1-CG 4.36Å; F579-Q585 HydrophobicContact CE2-CB 4.01Å; F579-Q585 HydrophobicContact CG-CB 3.71Å; F579-Q585 HydrophobicContact CG-CG 4.42Å; F579-Q585 HydrophobicContact CZ-CB 3.85Å; F579-R586 VanDerWaalsContact CZ-C 3.49Å
580	R	91.1	Very high	94.6	Very high	164 Å²	164	55.5 Å²	55.5	62%	0.619	28%	0.281	S	S	*	.			trans	-124.4	104.9	171.9	-168	-178.5	-173.3	-169.6	1.4	108.1	D525 N527 R543	D525-R580 PolarHBondContact O-N 3.42Å; N527-R580 HydrophobicContact CB-CB 4.49Å; R543-R580 HydrophobicContact CB-CB 4.31Å; R543-R580 WeakPolarHBondContact CD-O 3.49Å; R543-R580 WeakPolarHBondContact CG-O 3.12Å; R543-R580 PolarHBondContact NE-O 3.31Å
581	G	84.4	Confident	94.7	Very high	31 Å²	31	54.8 Å²	54.8	32%	0.32	28%	0.28	S	S	.	.	S	Bend	trans	170.7	167.3	-179.5	0	0	0	0	0	111.4
582	D	83.4	Confident	94.7	Very high	144 Å²	144	53.8 Å²	53.8	77%	0.77	27%	0.269	S	S	*	.	S	Bend	trans	-82	-19.6	-174	-53.6	-53.1	0	0	0	113
583	Q	87.6	Confident	94.7	Very high	128 Å²	128	51.5 Å²	51.5	60%	0.598	26%	0.255	S	S	*	.	S	Bend	trans	-96	141.1	-177.1	-62	-58.5	-37.7	0	0	111.4	Q585	Q583-Q585 PolarHBondContact O-N 3.21Å
584	P	92	Very high	94.7	Very high	108 Å²	108	51.4 Å²	51.4	70%	0.701	26%	0.255	S	S	*	.			trans	-64.4	119.8	173.6	-19.8	31.8	0	0	0	111.4
585	Q	94.7	Very high	94.7	Very high	21 Å²	21	52.3 Å²	52.3	10%	0.098	26%	0.257	C	S	.	.			trans	-115	158.1	176.8	-56.5	-58.1	-13.8	0	0	110.6	Q485 S486 T521 R522 D525 F579 Q583	Q485-Q585 WeakPolarHBondContact CA-O 3.23Å; S486-Q585 PolarHBondContact N-O 2.79Å; S486-Q585 PolarHBondContact OG-N 3.09Å; T521-Q585 WeakPolarHBondContact OG1-CA 3.3Å; T521-Q585 PolarHBondContact OG1-OE1 2.72Å; R522-Q585 HydrophobicContact CB-CG 4.31Å; D525-Q585 HydrophobicContact CB-CG 4.05Å; D525-Q585 PolarHBondContact OD2-NE2 3.49Å; D525-Q585 VanDerWaalsContact OD2-NE2 3.12Å; F579-Q585 HydrophobicContact CB-CB 4.43Å; F579-Q585 HydrophobicContact CD1-CB 3.52Å; F579-Q585 HydrophobicContact CD1-CG 4.05Å; F579-Q585 HydrophobicContact CD2-CB 3.95Å; F579-Q585 HydrophobicContact CE1-CB 3.59Å; F579-Q585 HydrophobicContact CE1-CG 4.36Å; F579-Q585 HydrophobicContact CE2-CB 4.01Å; F579-Q585 HydrophobicContact CG-CB 3.71Å; F579-Q585 HydrophobicContact CG-CG 4.42Å; F579-Q585 HydrophobicContact CZ-CB 3.85Å; Q583-Q585 PolarHBondContact O-N 3.21Å
586	R	94.8	Very high	94.7	Very high	178 Å²	178	52.2 Å²	52.2	67%	0.672	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.4	141.3	176	-70.6	177.3	-80	179.2	-4.8	109.1	Q485 A520 T521 F579	Q485-R586 HydrophobicContact CB-CG 4.21Å; A520-R586 WeakPolarHBondContact CA-O 3.07Å; T521-R586 HydrophobicContact CG2-CB 4.1Å; T521-R586 PolarHBondContact N-O 3.35Å; T521-R586 PolarHBondContact OG1-N 2.95Å; T521-R586 PolarHBondContact OG1-O 3.43Å; F579-R586 VanDerWaalsContact CZ-C 3.49Å
587	G	95.4	Very high	94.7	Very high	5 Å²	5	51.1 Å²	51.1	5%	0.052	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	159.1	-179.5	0	0	0	0	0	112.6	K483 F484 N519	K483-G587 WeakPolarHBondContact CA-O 3.36Å; F484-G587 WeakPolarHBondContact CD1-O 3.31Å; F484-G587 VanDerWaalsContact CE1-C 3.47Å; F484-G587 PolarHBondContact N-O 2.93Å; F484-G587 PolarHBondContact O-N 3.07Å; N519-G587 CarbonylContact O-C 3.56Å; N519-G587 WeakPolarHBondContact O-CA 3.29Å
588	V	96.6	Very high	94.6	Very high	43 Å²	43	51 Å²	51	26%	0.261	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	110.2	174.5	-171.1	0	0	0	0	107.9	A481 H482 K483 V518 N519 K590	A481-V588 HydrophobicContact CB-CG1 4.07Å; H482-V588 WeakPolarHBondContact O-CA 3.44Å; K483-V588 HydrophobicContact CG-CG1 4.47Å; K483-V588 HydrophobicContact CG-CG2 4.14Å; V518-V588 WeakPolarHBondContact CA-O 3.38Å; N519-V588 PolarHBondContact N-O 3.05Å; N519-V588 PolarHBondContact O-N 3.38Å; V588-K590 HydrophobicContact CG1-CG 4.42Å
589	L	97.1	Very high	94.7	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.01	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	117.2	169.6	179	66.5	0	0	0	107.4	A481 H482 F484 L490 L492 V516 V518 L575 V577	A481-L589 CarbonylContact C-O 3.59Å; A481-L589 WeakPolarHBondContact CA-O 3.36Å; H482-L589 PolarHBondContact N-O 3.22Å; H482-L589 PolarHBondContact O-N 3.35Å; F484-L589 HydrophobicContact CE1-CB 4.24Å; L490-L589 HydrophobicContact CD2-CB 3.88Å; L490-L589 HydrophobicContact CD2-CD2 3.78Å; L490-L589 HydrophobicContact CD2-CG 4.49Å; L492-L589 HydrophobicContact CD1-CD2 3.41Å; L492-L589 VanDerWaalsContact CD1-CD2 3.41Å; L492-L589 HydrophobicContact CG-CD2 4.35Å; V516-L589 HydrophobicContact CG1-CD1 3.54Å; V518-L589 HydrophobicContact CB-CD1 3.95Å; V518-L589 HydrophobicContact CG2-CB 4.42Å; V518-L589 HydrophobicContact CG2-CD1 4.43Å; L575-L589 HydrophobicContact CD2-CD2 4.21Å; V577-L589 HydrophobicContact CG2-CD2 4.17Å
590	K	96.9	Very high	94.6	Very high	92 Å²	92	52 Å²	52	40%	0.4	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-41.7	-176.5	-65.7	174.3	179.1	160.9	0	112	Q479 T517 N519 V588	Q479-K590 CarbonylContact C-O 3.07Å; Q479-K590 VanDerWaalsContact C-O 3.24Å; T517-K590 HydrophobicContact CG2-CB 4.08Å; T517-K590 HydrophobicContact CG2-CD 4.01Å; T517-K590 PolarHBondContact O-N 3.11Å; N519-K590 VanDerWaalsContact OD1-CE 3.27Å; N519-K590 WeakPolarHBondContact OD1-CE 3.46Å; N519-K590 PolarHBondContact OD1-NZ 3.16Å; V588-K590 HydrophobicContact CG1-CG 4.42Å
591	E	97.4	Very high	94.6	Very high	40 Å²	40	47.7 Å²	47.7	19%	0.187	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	138.9	-175.9	-173.6	171.6	-160.9	0	0	110.2	I478 Q479 V516 T517	I478-E591 CarbonylContact O-C 3.56Å; I478-E591 VanDerWaalsContact O-CA 3.29Å; I478-E591 WeakPolarHBondContact O-CA 3.33Å; Q479-E591 HydrophobicContact CG-CG 4.2Å; Q479-E591 PolarHBondContact NE2-OE1 3.14Å; V516-E591 WeakPolarHBondContact CA-O 3.43Å; T517-E591 PolarHBondContact N-O 3.2Å; T517-E591 PolarHBondContact O-N 2.81Å
592	W	97.9	Very high	95	Very high	1 Å²	1	46.9 Å²	46.9	0%	0.004	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	119.8	164.8	168.4	35.2	0	0	0	108.7	S477 I478 L492 I494 V515 L575	S477-W592 CarbonylContact C-O 3.24Å; S477-W592 VanDerWaalsContact CA-O 3.29Å; S477-W592 WeakPolarHBondContact CA-O 3.37Å; I478-W592 HydrophobicContact CD1-CE3 3.92Å; I478-W592 HydrophobicContact CD1-CZ3 4.11Å; I478-W592 PolarHBondContact N-O 2.89Å; I478-W592 PolarHBondContact O-N 3.13Å; L492-W592 HydrophobicContact CB-CE3 3.76Å; L492-W592 HydrophobicContact CB-CZ3 3.62Å; L492-W592 HydrophobicContact CD1-CE3 4.2Å; I494-W592 HydrophobicContact CB-CH2 4.17Å; I494-W592 HydrophobicContact CB-CZ3 4.47Å; I494-W592 HydrophobicContact CD1-CD2 3.85Å; I494-W592 HydrophobicContact CD1-CE3 3.8Å; I494-W592 HydrophobicContact CD1-CH2 3.84Å; I494-W592 HydrophobicContact CD1-CZ2 3.9Å; I494-W592 HydrophobicContact CD1-CZ3 3.79Å; I494-W592 HydrophobicContact CG1-CE3 4.13Å; I494-W592 HydrophobicContact CG1-CH2 3.83Å; I494-W592 HydrophobicContact CG1-CZ2 4.37Å; I494-W592 HydrophobicContact CG1-CZ3 3.69Å; V515-W592 CarbonylContact O-C 3.53Å; V515-W592 WeakPolarHBondContact O-CA 3.32Å; L575-W592 HydrophobicContact CB-CD2 3.87Å; L575-W592 HydrophobicContact CB-CE3 3.7Å; L575-W592 HydrophobicContact CB-CH2 3.52Å; L575-W592 HydrophobicContact CB-CZ2 3.67Å; L575-W592 HydrophobicContact CB-CZ3 3.54Å; L575-W592 HydrophobicContact CD2-CB 4.12Å; L575-W592 HydrophobicContact CD2-CD2 3.6Å; L575-W592 HydrophobicContact CD2-CE3 3.94Å; L575-W592 HydrophobicContact CD2-CG 3.65Å; L575-W592 HydrophobicContact CG-CD2 4.27Å; L575-W592 HydrophobicContact CG-CE3 4.45Å
593	T	98.4	Very high	95.3	Very high	13 Å²	13	40.4 Å²	40.4	8%	0.08	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.2	172.5	-63.8	0	0	0	0	109.7	V474 S477 V515 M595	V474-T593 HydrophobicContact CG1-CG2 3.75Å; S477-T593 WeakPolarHBondContact CB-OG1 3.06Å; V515-T593 PolarHBondContact N-O 2.77Å; V515-T593 PolarHBondContact O-N 2.91Å; T593-M595 HydrophobicContact CG2-CE 4.07Å; T593-M595 HydrophobicContact CG2-CG 4.25Å
594	L	98.3	Very high	95.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	120.6	176.5	178.8	66.3	0	0	0	109.7	A475 G476 I494 T496 V512 M530 W573 L596	A475-L594 HydrophobicContact CB-CB 4.35Å; A475-L594 HydrophobicContact CB-CD2 3.8Å; A475-L594 HydrophobicContact CB-CG 3.98Å; A475-L594 PolarHBondContact N-O 3.02Å; G476-L594 PolarHBondContact O-N 3.44Å; I494-L594 HydrophobicContact CD1-CB 4.17Å; I494-L594 HydrophobicContact CG2-CD2 4.43Å; T496-L594 HydrophobicContact CG2-CD2 4.46Å; V512-L594 HydrophobicContact CG1-CD1 3.72Å; M530-L594 HydrophobicContact SD-CD1 4.05Å; W573-L594 HydrophobicContact CB-CD2 3.79Å; W573-L594 HydrophobicContact CD2-CD1 4.21Å; W573-L594 HydrophobicContact CD2-CD2 3.81Å; W573-L594 HydrophobicContact CE3-CD1 4.2Å; W573-L594 HydrophobicContact CG-CD2 3.38Å; L594-L596 HydrophobicContact CD1-CD2 4.07Å; L594-L596 HydrophobicContact CD2-CD2 4.24Å; L594-L596 HydrophobicContact CG-CD2 4.01Å; L594-L596 HydrophobicContact CG-CG 4.49Å
595	M	97.8	Very high	95.1	Very high	56 Å²	56	32.3 Å²	32.3	28%	0.276	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	129.7	175.4	-59.3	-173.3	177.2	0	0	110.2	C473 V512 Q513 V515 T593	C473-M595 WeakPolarHBondContact O-CA 2.91Å; V512-M595 WeakPolarHBondContact CA-O 3.35Å; Q513-M595 HydrophobicContact CB-CB 4.23Å; Q513-M595 PolarHBondContact N-O 2.81Å; Q513-M595 PolarHBondContact O-N 3.3Å; V515-M595 HydrophobicContact CG2-CE 3.88Å; V515-M595 HydrophobicContact CG2-CG 4.31Å; V515-M595 HydrophobicContact CG2-SD 3.89Å; T593-M595 HydrophobicContact CG2-CE 4.07Å; T593-M595 HydrophobicContact CG2-CG 4.25Å
596	L	98.1	Very high	94.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	134.1	-179.1	-52	175.7	0	0	0	109.4	H472 C473 A475 A498 L509 V512 P569 W573 L594	H472-L596 CarbonylContact C-O 3.59Å; H472-L596 WeakPolarHBondContact CA-O 3.43Å; C473-L596 HydrophobicContact CB-CB 4.37Å; C473-L596 PolarHBondContact N-O 3.42Å; C473-L596 PolarHBondContact O-N 3.2Å; A475-L596 HydrophobicContact CB-CD1 3.54Å; A475-L596 HydrophobicContact CB-CG 3.75Å; A498-L596 HydrophobicContact CB-CD1 3.82Å; L509-L596 HydrophobicContact CD2-CB 4Å; L509-L596 HydrophobicContact CD2-CD2 4.09Å; V512-L596 HydrophobicContact CG1-CD2 3.99Å; V512-L596 HydrophobicContact CG2-CD2 4.07Å; P569-L596 HydrophobicContact CB-CD1 3.61Å; P569-L596 HydrophobicContact CB-CD2 4.27Å; P569-L596 HydrophobicContact CB-CG 4.5Å; P569-L596 HydrophobicContact CG-CD1 4Å; W573-L596 HydrophobicContact CZ2-CD2 3.97Å; L594-L596 HydrophobicContact CD1-CD2 4.07Å; L594-L596 HydrophobicContact CD2-CD2 4.24Å; L594-L596 HydrophobicContact CG-CD2 4.01Å; L594-L596 HydrophobicContact CG-CG 4.49Å
597	H	97.8	Very high	94.3	Very high	11 Å²	11	28.3 Å²	28.3	5%	0.051	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	137.1	175	-54.9	-78.3	0	0	0	109.7	M331 R470 F471 E510 H511 Q513	M331-H597 VanDerWaalsContact CE-NE2 3.32Å; M331-H597 WeakPolarHBondContact CE-NE2 3.33Å; R470-H597 PolarHBondContact NH1-ND1 2.78Å; F471-H597 WeakPolarHBondContact O-CA 3.3Å; E510-H597 PolarHBondContact N-O 3.03Å; H511-H597 HydrophobicContact CB-CB 4.15Å; H511-H597 PolarHBondContact N-O 2.73Å; H511-H597 WeakPolarHBondContact O-CB 3.22Å; H511-H597 PolarHBondContact O-N 3.13Å; Q513-H597 PolarHBondContact OE1-NE2 3.25Å
598	G	96.9	Very high	93.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167	-152.2	-179.9	0	0	0	0	0	112.7	F471 Y508	F471-G598 PolarHBondContact N-O 2.89Å; F471-G598 PolarHBondContact O-N 3.12Å; Y508-G598 CarbonylContact O-C 3.53Å; Y508-G598 WeakPolarHBondContact O-CA 3.46Å
599	T	96.5	Very high	93.1	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	156.4	-175.9	56.7	0	0	0	0	112.1	P468 R507 Y508 S601	P468-T599 HydrophobicContact CB-CG2 3.99Å; P468-T599 HydrophobicContact CG-CG2 4.43Å; R507-T599 PolarHBondContact N-O 3.06Å; Y508-T599 PolarHBondContact N-O 2.71Å; Y508-T599 PolarHBondContact O-N 3.45Å; T599-S601 WeakPolarHBondContact CB-O 3.5Å; T599-S601 PolarHBondContact OG1-O 3.13Å
600	Q	93.5	Very high	92.2	Very high	55 Å²	55	41.1 Å²	41.1	26%	0.257	20%	0.204	S	C	.	.	S	Bend	trans	-83.7	-36.1	171.7	-71.7	-179.6	32.6	0	0	112.4	F471 D503 F505	F471-Q600 VanDerWaalsContact CD1-NE2 3.31Å; F471-Q600 HydrophobicContact CD2-CB 4.38Å; F471-Q600 HydrophobicContact CD2-CG 3.67Å; F471-Q600 VanDerWaalsContact CE1-NE2 3.25Å; F471-Q600 HydrophobicContact CE2-CB 4.28Å; F471-Q600 HydrophobicContact CE2-CG 3.83Å; F471-Q600 HydrophobicContact CG-CG 4.19Å; F471-Q600 HydrophobicContact CZ-CG 4.47Å; D503-Q600 PolarHBondContact O-NE2 2.86Å; F505-Q600 HydrophobicContact CB-CG 4.02Å; F505-Q600 HydrophobicContact CD1-CB 4.37Å; F505-Q600 HydrophobicContact CD1-CG 4.01Å; F505-Q600 HydrophobicContact CG-CG 4.38Å; F505-Q600 WeakPolarHBondContact O-CG 3.49Å
601	S	91.9	Very high	91.5	Very high	72 Å²	72	40.9 Å²	40.9	50%	0.503	21%	0.208	S	C	.	.	S	Bend	trans	-105.3	150.4	-177.8	-53.2	0	0	0	0	110.2	Y508 T599 P603	Y508-S601 WeakPolarHBondContact CD2-O 3.48Å; Y508-S601 VanDerWaalsContact CE2-C 3.49Å; T599-S601 WeakPolarHBondContact CB-O 3.5Å; T599-S601 PolarHBondContact OG1-O 3.13Å; S601-P603 WeakPolarHBondContact O-CD 3.27Å
602	A	91.3	Very high	90.5	Very high	14 Å²	14	48.4 Å²	48.4	12%	0.116	24%	0.236	C	C	.	.			trans	-61.1	121.2	-175.8	0	0	0	0	0	111.8	Y508 Y604 I605 E623	Y508-A602 HydrophobicContact CD2-CB 4.47Å; Y508-A602 HydrophobicContact CE1-CB 4.42Å; Y508-A602 HydrophobicContact CE2-CB 3.74Å; A602-Y604 VanDerWaalsContact C-N 3.31Å; A602-Y604 PolarHBondContact O-N 3.04Å; A602-I605 HydrophobicContact CB-CB 4.46Å; A602-I605 HydrophobicContact CB-CD1 3.38Å; A602-I605 HydrophobicContact CB-CG1 3.56Å; A602-E623 HydrophobicContact CB-CB 4.18Å; A602-E623 HydrophobicContact CB-CG 4.12Å
603	P	91.1	Very high	89.5	Confident	8 Å²	8	53.5 Å²	53.5	5%	0.052	26%	0.26	C	S	.	.	S	Bend	trans	-72	-20.2	-174.6	26.7	-35.3	0	0	0	114.1	V467 S601 E623	V467-P603 HydrophobicContact CB-CB 4.31Å; V467-P603 HydrophobicContact CG1-CB 4Å; S601-P603 WeakPolarHBondContact O-CD 3.27Å; P603-E623 WeakPolarHBondContact CD-OE1 3.42Å; P603-E623 VanDerWaalsContact CG-OE1 3.32Å; P603-E623 WeakPolarHBondContact CG-OE1 3.47Å
604	Y	90.8	Very high	88.8	Confident	1 Å²	1	54.1 Å²	54.1	0%	0.004	27%	0.265	C	S	.	.	S	Bend	trans	-112.8	-2.3	-171	-49	-45.4	0	0	0	116	H416 L420 W464 W565 A602 D606 Q607 L616 K620 E623	H416-Y604 AromaticContact ND1-CE1 3.62Å; H416-Y604 AromaticContact ND1-CZ 3.57Å; H416-Y604 PolarHBondContact ND1-OH 3.26Å; L420-Y604 HydrophobicContact CD1-CD1 4.26Å; L420-Y604 HydrophobicContact CD1-CE1 3.72Å; L420-Y604 HydrophobicContact CD2-CE2 4.41Å; W464-Y604 HydrophobicContact CH2-CD1 4.05Å; W464-Y604 AromaticContact CH2-CE1 3.79Å; W464-Y604 HydrophobicContact CH2-CE1 3.79Å; W464-Y604 HydrophobicContact CZ2-CE1 4.42Å; W565-Y604 PolarHBondContact NE1-OH 3.12Å; A602-Y604 VanDerWaalsContact C-N 3.31Å; A602-Y604 PolarHBondContact O-N 3.04Å; Y604-D606 PolarHBondContact O-N 2.87Å; Y604-D606 VanDerWaalsContact O-N 3.16Å; Y604-Q607 HydrophobicContact CD1-CG 4.24Å; Y604-Q607 WeakPolarHBondContact O-CB 3.1Å; Y604-Q607 PolarHBondContact O-N 3.4Å; Y604-Q607 VanDerWaalsContact O-N 3.08Å; Y604-L616 HydrophobicContact CD1-CD1 3.94Å; Y604-L616 HydrophobicContact CD2-CD1 4.46Å; Y604-L616 HydrophobicContact CG-CD1 3.79Å; Y604-K620 WeakPolarHBondContact O-CD 3.35Å; Y604-K620 WeakPolarHBondContact O-CE 3.29Å; Y604-E623 WeakPolarHBondContact CA-OE2 3.4Å; Y604-E623 WeakPolarHBondContact CB-OE2 3.3Å; Y604-E623 WeakPolarHBondContact CD2-OE1 3.49Å; Y604-E623 PolarHBondContact N-OE1 3.07Å; Y604-E623 PolarHBondContact N-OE2 3.34Å; Y604-E623 VanDerWaalsContact N-OE2 3.08Å
605	I	83.1	Confident	88.3	Confident	66 Å²	66	55.3 Å²	55.3	34%	0.338	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-41.6	178.7	-76.9	179.4	0	0	0	112.2	A602 K620 E623 E627	A602-I605 HydrophobicContact CB-CB 4.46Å; A602-I605 HydrophobicContact CB-CD1 3.38Å; A602-I605 HydrophobicContact CB-CG1 3.56Å; I605-K620 WeakPolarHBondContact O-CE 3.48Å; I605-K620 PolarHBondContact O-NZ 2.72Å; I605-E623 PolarHBondContact N-OE2 3.29Å; I605-E627 HydrophobicContact CD1-CG 4.3Å
606	D	83.9	Confident	87.8	Confident	107 Å²	107	53 Å²	53	57%	0.572	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-5.2	-175.2	-77.3	-38.3	0	0	0	114.5	K465 Y604	K465-D606 HydrophobicContact CD-CB 3.68Å; K465-D606 WeakPolarHBondContact CD-O 3.42Å; K465-D606 WeakPolarHBondContact CE-O 3.48Å; K465-D606 PolarHBondContact NZ-O 3.09Å; Y604-D606 PolarHBondContact O-N 2.87Å; Y604-D606 VanDerWaalsContact O-N 3.16Å
607	Q	89.4	Confident	87.1	Confident	7 Å²	7	53.6 Å²	53.6	3%	0.033	26%	0.263	C	S	.	.	S	Bend	trans	-78.7	148.8	-178.6	-54.7	-63.9	-14	0	0	111.6	W464 K465 Y604 L616 K620	W464-Q607 HydrophobicContact CZ3-CG 4.31Å; K465-Q607 VanDerWaalsContact N-OE1 3.14Å; K465-Q607 PolarHBondContact O-NE2 3.44Å; Y604-Q607 HydrophobicContact CD1-CG 4.24Å; Y604-Q607 WeakPolarHBondContact O-CB 3.1Å; Y604-Q607 PolarHBondContact O-N 3.4Å; Y604-Q607 VanDerWaalsContact O-N 3.08Å; Q607-L616 HydrophobicContact CB-CD1 3.97Å; Q607-L616 HydrophobicContact CB-CD2 4.08Å; Q607-L616 HydrophobicContact CG-CD1 4.25Å; Q607-K620 PolarHBondContact O-NZ 3.23Å
608	I	84.6	Confident	86.6	Confident	98 Å²	98	56.2 Å²	56.2	50%	0.503	28%	0.276	S	S	.	.			trans	-87.7	121.3	-179.1	-58	176	0	0	0	109.8	R610	I608-R610 HydrophobicContact CG2-CG 4.24Å
609	V	83.5	Confident	86.1	Confident	34 Å²	34	56.3 Å²	56.3	21%	0.206	28%	0.277	C	S	.	.			trans	-94.4	110.6	175.3	178.5	0	0	0	0	109.5	Y612 L616 A617 K620	V609-Y612 HydrophobicContact CG1-CD1 4.34Å; V609-L616 HydrophobicContact CG2-CD2 4.31Å; V609-L616 HydrophobicContact CG2-CG 4.18Å; V609-A617 HydrophobicContact CG1-CB 3.56Å; V609-K620 HydrophobicContact CG2-CD 3.66Å
610	R	78.3	Confident	85.7	Confident	187 Å²	187	58.2 Å²	58.2	71%	0.706	29%	0.285	S	S	*	.	S	Bend	trans	-95.2	-33.1	175	-68.7	177.9	171.6	-119.1	1	112.9	E463 I608	E463-R610 IonicContact OE1-CZ 3.53Å; E463-R610 IonicContact OE1-NE 2.96Å; E463-R610 IonicContact OE1-NH2 3.89Å; E463-R610 PolarHBondContact OE1-NH2 2.53Å; E463-R610 IonicContact OE2-CZ 3.08Å; E463-R610 IonicContact OE2-NE 3.23Å; E463-R610 PolarHBondContact OE2-NE 2.94Å; E463-R610 IonicContact OE2-NH2 3.02Å; E463-R610 PolarHBondContact OE2-NH2 3.35Å; I608-R610 HydrophobicContact CG2-CG 4.24Å
611	D	80.2	Confident	85.3	Confident	87 Å²	87	60.9 Å²	60.9	47%	0.465	30%	0.296	S	S	.	.			trans	-115.1	112.7	175.3	179.7	5.7	0	0	0	109.9	Q613 S614 A617	D611-Q613 PolarHBondContact O-N 3.48Å; D611-Q613 VanDerWaalsContact O-N 3.13Å; D611-Q613 PolarHBondContact OD1-N 3.46Å; D611-S614 VanDerWaalsContact O-CB 3.28Å; D611-S614 WeakPolarHBondContact O-CB 3.48Å; D611-S614 PolarHBondContact O-N 3.03Å; D611-S614 PolarHBondContact O-OG 3.1Å; D611-A617 WeakPolarHBondContact O-CB 3.11Å
612	Y	77.3	Confident	85.1	Confident	198 Å²	198	60 Å²	60	78%	0.776	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-9.1	180	-65.2	-75.1	0	0	0	114.2	V609 A617	V609-Y612 HydrophobicContact CG1-CD1 4.34Å; Y612-A617 WeakPolarHBondContact O-CB 3.45Å
613	Q	76.4	Confident	84.9	Confident	109 Å²	109	59.7 Å²	59.7	51%	0.509	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	0.3	173.1	-59.3	-159.5	-30.3	0	0	113.7	R113 D611	R113-Q613 VanDerWaalsContact CZ-OE1 3.27Å; D611-Q613 PolarHBondContact O-N 3.48Å; D611-Q613 VanDerWaalsContact O-N 3.13Å; D611-Q613 PolarHBondContact OD1-N 3.46Å
614	S	84.2	Confident	84.6	Confident	26 Å²	26	63.6 Å²	63.6	18%	0.182	30%	0.3	C	S	.	.	S	Bend	trans	-65.6	157.9	176.7	64.3	0	0	0	0	111.5	D611 L616 A617 M618	D611-S614 VanDerWaalsContact O-CB 3.28Å; D611-S614 WeakPolarHBondContact O-CB 3.48Å; D611-S614 PolarHBondContact O-N 3.03Å; D611-S614 PolarHBondContact O-OG 3.1Å; S614-L616 PolarHBondContact O-N 3.21Å; S614-A617 WeakPolarHBondContact O-CB 3.34Å; S614-A617 PolarHBondContact O-N 3.15Å; S614-A617 PolarHBondContact OG-N 3.26Å; S614-A617 VanDerWaalsContact OG-N 3.16Å; S614-M618 PolarHBondContact O-N 3.39Å; S614-M618 VanDerWaalsContact O-N 3.09Å
615	K	87.3	Confident	84.4	Confident	25 Å²	25	67.5 Å²	67.5	11%	0.109	32%	0.318	C	S	.	.	H	α-helix	trans	-54.2	-40.2	170.6	-73.1	177.9	173.9	171.9	0	111.9	V419 L420 S422 L441 Y449 A617 M618 S619	V419-K615 WeakPolarHBondContact O-CD 3.18Å; V419-K615 PolarHBondContact O-NZ 3.08Å; L420-K615 HydrophobicContact CD2-CB 4.03Å; S422-K615 WeakPolarHBondContact O-CE 3.23Å; S422-K615 PolarHBondContact O-NZ 2.85Å; L441-K615 HydrophobicContact CD2-CB 3.52Å; L441-K615 HydrophobicContact CD2-CD 4.04Å; L441-K615 HydrophobicContact CD2-CG 3.68Å; Y449-K615 PolarHBondContact O-NZ 3.26Å; K615-A617 VanDerWaalsContact C-N 3.34Å; K615-A617 PolarHBondContact O-N 2.61Å; K615-M618 HydrophobicContact CB-CE 4.44Å; K615-M618 HydrophobicContact CG-CE 4.08Å; K615-M618 PolarHBondContact O-N 2.95Å; K615-S619 PolarHBondContact O-N 2.85Å; K615-S619 PolarHBondContact O-OG 2.92Å
616	L	87.1	Confident	84.3	Confident	6 Å²	6	65.5 Å²	65.5	3%	0.031	31%	0.308	C	S	.	.	H	α-helix	trans	-59.5	-43.1	175.1	178.5	64.8	0	0	0	112.1	L420 M460 Y604 Q607 V609 S614 M618 K620	L420-L616 HydrophobicContact CD1-CB 4.46Å; L420-L616 HydrophobicContact CD1-CD1 3.98Å; L420-L616 HydrophobicContact CD2-CB 4.43Å; M460-L616 HydrophobicContact CE-CB 4.3Å; M460-L616 HydrophobicContact CE-CD2 4.3Å; Y604-L616 HydrophobicContact CD1-CD1 3.94Å; Y604-L616 HydrophobicContact CD2-CD1 4.46Å; Y604-L616 HydrophobicContact CG-CD1 3.79Å; Q607-L616 HydrophobicContact CB-CD1 3.97Å; Q607-L616 HydrophobicContact CB-CD2 4.08Å; Q607-L616 HydrophobicContact CG-CD1 4.25Å; V609-L616 HydrophobicContact CG2-CD2 4.31Å; V609-L616 HydrophobicContact CG2-CG 4.18Å; S614-L616 PolarHBondContact O-N 3.21Å; L616-M618 VanDerWaalsContact C-N 3.32Å; L616-M618 PolarHBondContact O-N 2.82Å; L616-K620 WeakPolarHBondContact O-CB 3.38Å; L616-K620 PolarHBondContact O-N 2.79Å
617	A	85.1	Confident	84.3	Confident	13 Å²	13	62.9 Å²	62.9	11%	0.107	29%	0.292	C	S	.	.	H	α-helix	trans	-64.1	-38.9	177	0	0	0	0	0	112.3	V609 D611 Y612 S614 K615 K621	V609-A617 HydrophobicContact CG1-CB 3.56Å; D611-A617 WeakPolarHBondContact O-CB 3.11Å; Y612-A617 WeakPolarHBondContact O-CB 3.45Å; S614-A617 WeakPolarHBondContact O-CB 3.34Å; S614-A617 PolarHBondContact O-N 3.15Å; S614-A617 PolarHBondContact OG-N 3.26Å; S614-A617 VanDerWaalsContact OG-N 3.16Å; K615-A617 VanDerWaalsContact C-N 3.34Å; K615-A617 PolarHBondContact O-N 2.61Å; A617-K621 VanDerWaalsContact O-CB 3.29Å; A617-K621 WeakPolarHBondContact O-CB 3.44Å; A617-K621 PolarHBondContact O-N 3.13Å
618	M	86.6	Confident	84.2	Confident	66 Å²	66	67.8 Å²	67.8	33%	0.325	32%	0.318	S	S	.	.	H	α-helix	trans	-65.8	-52.1	177.4	-67.3	-175.2	-74.2	0	0	111	S614 K615 L616 K620 K621 E622	S614-M618 PolarHBondContact O-N 3.39Å; S614-M618 VanDerWaalsContact O-N 3.09Å; K615-M618 HydrophobicContact CB-CE 4.44Å; K615-M618 HydrophobicContact CG-CE 4.08Å; K615-M618 PolarHBondContact O-N 2.95Å; L616-M618 VanDerWaalsContact C-N 3.32Å; L616-M618 PolarHBondContact O-N 2.82Å; M618-K620 PolarHBondContact O-N 3.16Å; M618-K621 WeakPolarHBondContact O-CB 3.33Å; M618-K621 PolarHBondContact O-N 3.31Å; M618-E622 PolarHBondContact O-N 2.65Å; M618-E622 VanDerWaalsContact O-N 3.16Å
619	S	86.1	Confident	84.1	Confident	3 Å²	3	68.4 Å²	68.4	2%	0.021	32%	0.322	C	S	.	.	H	α-helix	trans	-61.9	-43.7	178.4	-58	0	0	0	0	112.2	K615 K621 E622 E623	K615-S619 PolarHBondContact O-N 2.85Å; K615-S619 PolarHBondContact O-OG 2.92Å; S619-K621 VanDerWaalsContact C-N 3.31Å; S619-K621 PolarHBondContact O-N 2.91Å; S619-E622 PolarHBondContact O-N 3.25Å; S619-E623 WeakPolarHBondContact O-CG 3.35Å; S619-E623 PolarHBondContact O-N 2.99Å
620	K	87.9	Confident	84.1	Confident	40 Å²	40	68.5 Å²	68.5	17%	0.174	32%	0.32	C	S	.	.	H	α-helix	trans	-64	-35.2	177.4	-173.4	174.8	-170.3	166.8	0	112.8	Y604 I605 Q607 V609 L616 M618 L624	Y604-K620 WeakPolarHBondContact O-CD 3.35Å; Y604-K620 WeakPolarHBondContact O-CE 3.29Å; I605-K620 WeakPolarHBondContact O-CE 3.48Å; I605-K620 PolarHBondContact O-NZ 2.72Å; Q607-K620 PolarHBondContact O-NZ 3.23Å; V609-K620 HydrophobicContact CG2-CD 3.66Å; L616-K620 WeakPolarHBondContact O-CB 3.38Å; L616-K620 PolarHBondContact O-N 2.79Å; M618-K620 PolarHBondContact O-N 3.16Å; K620-L624 HydrophobicContact CG-CD1 4.29Å; K620-L624 VanDerWaalsContact O-CG 3.29Å; K620-L624 WeakPolarHBondContact O-CG 3.41Å; K620-L624 PolarHBondContact O-N 3.34Å; K620-L624 VanDerWaalsContact O-N 3.13Å
621	K	86.6	Confident	84.3	Confident	112 Å²	112	61.4 Å²	61.4	49%	0.487	30%	0.302	S	S	.	.	H	α-helix	trans	-62.5	-47.4	175.9	-176.5	-172.7	172.5	-77.8	0	110.2	A617 M618 S619 L624 E625	A617-K621 VanDerWaalsContact O-CB 3.29Å; A617-K621 WeakPolarHBondContact O-CB 3.44Å; A617-K621 PolarHBondContact O-N 3.13Å; M618-K621 WeakPolarHBondContact O-CB 3.33Å; M618-K621 PolarHBondContact O-N 3.31Å; S619-K621 VanDerWaalsContact C-N 3.31Å; S619-K621 PolarHBondContact O-N 2.91Å; K621-L624 PolarHBondContact O-N 3.42Å; K621-E625 WeakPolarHBondContact CE-OE1 3.26Å; K621-E625 IonicContact NZ-OE1 3.29Å; K621-E625 PolarHBondContact NZ-OE1 3.28Å; K621-E625 IonicContact NZ-OE2 3.94Å; K621-E625 PolarHBondContact NZ-OE2 3.45Å; K621-E625 WeakPolarHBondContact O-CG 3.35Å; K621-E625 PolarHBondContact O-N 2.95Å
622	E	86.9	Confident	84.6	Confident	54 Å²	54	60.7 Å²	60.7	25%	0.252	30%	0.3	S	S	.	.	H	α-helix	trans	-61.2	-47.1	179.1	-162.6	67	-162.1	0	0	111.2	V439 M618 S619 L624 E625 E626	V439-E622 HydrophobicContact CB-CB 4.47Å; V439-E622 HydrophobicContact CB-CG 4.31Å; V439-E622 HydrophobicContact CG1-CG 4Å; M618-E622 PolarHBondContact O-N 2.65Å; M618-E622 VanDerWaalsContact O-N 3.16Å; S619-E622 PolarHBondContact O-N 3.25Å; E622-L624 VanDerWaalsContact C-N 3.27Å; E622-L624 PolarHBondContact O-N 2.73Å; E622-E625 PolarHBondContact O-N 3.3Å; E622-E626 PolarHBondContact O-N 3.21Å
623	E	86.3	Confident	85	Confident	6 Å²	6	55.9 Å²	55.9	3%	0.028	29%	0.285	C	S	.	.	H	α-helix	trans	-55.2	-41.7	176.2	-72.2	176.1	-175.8	0	0	112.7	Y508 A602 P603 Y604 I605 S619 E627	Y508-E623 HydrophobicContact CD1-CG 4.13Å; Y508-E623 HydrophobicContact CE1-CB 4.37Å; Y508-E623 HydrophobicContact CE1-CG 3.68Å; A602-E623 HydrophobicContact CB-CB 4.18Å; A602-E623 HydrophobicContact CB-CG 4.12Å; P603-E623 WeakPolarHBondContact CD-OE1 3.42Å; P603-E623 VanDerWaalsContact CG-OE1 3.32Å; P603-E623 WeakPolarHBondContact CG-OE1 3.47Å; Y604-E623 WeakPolarHBondContact CA-OE2 3.4Å; Y604-E623 WeakPolarHBondContact CB-OE2 3.3Å; Y604-E623 WeakPolarHBondContact CD2-OE1 3.49Å; Y604-E623 PolarHBondContact N-OE1 3.07Å; Y604-E623 PolarHBondContact N-OE2 3.34Å; Y604-E623 VanDerWaalsContact N-OE2 3.08Å; I605-E623 PolarHBondContact N-OE2 3.29Å; S619-E623 WeakPolarHBondContact O-CG 3.35Å; S619-E623 PolarHBondContact O-N 2.99Å; E623-E627 WeakPolarHBondContact O-CB 3.44Å; E623-E627 WeakPolarHBondContact O-CG 3.38Å; E623-E627 PolarHBondContact O-N 3.15Å
624	L	85.9	Confident	85.4	Confident	91 Å²	91	58 Å²	58	48%	0.476	29%	0.288	S	S	.	.	H	α-helix	trans	-69.7	-35.8	178.3	-73.3	170.1	0	0	0	112.7	K620 K621 E622 L628	K620-L624 HydrophobicContact CG-CD1 4.29Å; K620-L624 VanDerWaalsContact O-CG 3.29Å; K620-L624 WeakPolarHBondContact O-CG 3.41Å; K620-L624 PolarHBondContact O-N 3.34Å; K620-L624 VanDerWaalsContact O-N 3.13Å; K621-L624 PolarHBondContact O-N 3.42Å; E622-L624 VanDerWaalsContact C-N 3.27Å; E622-L624 PolarHBondContact O-N 2.73Å; L624-L628 WeakPolarHBondContact O-CB 3.43Å; L624-L628 PolarHBondContact O-N 2.82Å; L624-L628 VanDerWaalsContact O-N 3.1Å
625	E	85.1	Confident	85.4	Confident	82 Å²	82	60.1 Å²	60.1	38%	0.383	30%	0.303	S	S	.	.	H	α-helix	trans	-66.8	-45	175.9	-73.8	178.5	154	0	0	110.4	K621 E622 L628 D629	K621-E625 WeakPolarHBondContact CE-OE1 3.26Å; K621-E625 IonicContact NZ-OE1 3.29Å; K621-E625 PolarHBondContact NZ-OE1 3.28Å; K621-E625 IonicContact NZ-OE2 3.94Å; K621-E625 PolarHBondContact NZ-OE2 3.45Å; K621-E625 WeakPolarHBondContact O-CG 3.35Å; K621-E625 PolarHBondContact O-N 2.95Å; E622-E625 PolarHBondContact O-N 3.3Å; E625-L628 PolarHBondContact O-N 2.76Å; E625-D629 PolarHBondContact O-N 3.17Å
626	E	82.3	Confident	85.2	Confident	24 Å²	24	63.5 Å²	63.5	11%	0.112	32%	0.322	C	S	.	.	H	α-helix	trans	-64.4	-43	176.1	-69	-177.5	-179.4	0	0	113.5	R507 Y508 E622 L628 D629 E630	R507-E626 IonicContact NE-OE2 3.96Å; R507-E626 PolarHBondContact NH2-O 3.31Å; Y508-E626 WeakPolarHBondContact CE1-OE2 3.47Å; E622-E626 PolarHBondContact O-N 3.21Å; E626-L628 VanDerWaalsContact C-N 3.3Å; E626-L628 PolarHBondContact O-N 3.27Å; E626-D629 PolarHBondContact O-N 3.21Å; E626-E630 PolarHBondContact O-N 3.29Å; E626-E630 VanDerWaalsContact O-N 3.07Å
627	E	84.3	Confident	85	Confident	53 Å²	53	69.3 Å²	69.3	25%	0.248	35%	0.347	C	S	.	.	H	α-helix	trans	-63.6	-37.4	176.9	-79.3	-66.9	153.9	0	0	111.8	R507 Y508 I605 E623 A631	R507-E627 IonicContact CZ-OE1 3.35Å; R507-E627 IonicContact NH1-OE1 3.51Å; R507-E627 PolarHBondContact NH1-OE1 3.48Å; R507-E627 IonicContact NH1-OE2 3.57Å; R507-E627 IonicContact NH2-OE1 2.99Å; Y508-E627 PolarHBondContact OH-OE1 2.75Å; I605-E627 HydrophobicContact CD1-CG 4.3Å; E623-E627 WeakPolarHBondContact O-CB 3.44Å; E623-E627 WeakPolarHBondContact O-CG 3.38Å; E623-E627 PolarHBondContact O-N 3.15Å; E627-A631 WeakPolarHBondContact O-CB 3.15Å; E627-A631 PolarHBondContact O-N 2.86Å
628	L	86.1	Confident	84.9	Confident	109 Å²	109	71.1 Å²	71.1	57%	0.571	36%	0.358	S	S	*	.	H	α-helix	trans	-66	-45.8	175.6	-178.6	63.3	0	0	0	111.2	L624 E625 E626 E630 A631 V632	L624-L628 WeakPolarHBondContact O-CB 3.43Å; L624-L628 PolarHBondContact O-N 2.82Å; L624-L628 VanDerWaalsContact O-N 3.1Å; E625-L628 PolarHBondContact O-N 2.76Å; E626-L628 VanDerWaalsContact C-N 3.3Å; E626-L628 PolarHBondContact O-N 3.27Å; L628-E630 VanDerWaalsContact C-N 3.35Å; L628-E630 PolarHBondContact O-N 2.98Å; L628-A631 PolarHBondContact O-N 3Å; L628-V632 HydrophobicContact CD1-CG2 4.47Å; L628-V632 WeakPolarHBondContact O-CG2 3.21Å; L628-V632 PolarHBondContact O-N 3.06Å
629	D	83.4	Confident	84.7	Confident	111 Å²	111	73 Å²	73	59%	0.594	37%	0.37	S	S	*	.	H	α-helix	trans	-60.8	-43.2	179.7	-78	-13.4	0	0	0	111.6	E625 E626 A631 V632 E633	E625-D629 PolarHBondContact O-N 3.17Å; E626-D629 PolarHBondContact O-N 3.21Å; D629-A631 PolarHBondContact O-N 3.49Å; D629-V632 PolarHBondContact O-N 3.1Å; D629-E633 PolarHBondContact O-N 3.28Å
630	E	81.9	Confident	84.3	Confident	37 Å²	37	79.5 Å²	79.5	17%	0.173	40%	0.401	C	S	.	.	H	α-helix	trans	-67.1	-35	175.2	-75.3	-165.5	166.7	0	0	113.2	R507 R570 E626 L628 V632 E633 R634	R507-E630 VanDerWaalsContact CZ-CD 3.43Å; R507-E630 IonicContact CZ-OE1 3.27Å; R507-E630 IonicContact CZ-OE2 2.71Å; R507-E630 VanDerWaalsContact CZ-OE2 3.27Å; R507-E630 IonicContact NH1-OE1 2.73Å; R507-E630 IonicContact NH1-OE2 3.67Å; R507-E630 PolarHBondContact NH1-OE2 3.44Å; R507-E630 VanDerWaalsContact NH2-CD 3.25Å; R507-E630 IonicContact NH2-OE1 3.34Å; R507-E630 IonicContact NH2-OE2 3.44Å; R507-E630 PolarHBondContact NH2-OE2 3.04Å; R570-E630 IonicContact CZ-OE1 2.63Å; R570-E630 IonicContact NH1-OE1 2.68Å; R570-E630 PolarHBondContact NH1-OE1 3.43Å; R570-E630 IonicContact NH2-OE1 3.73Å; R570-E630 PolarHBondContact NH2-OE1 2.85Å; E626-E630 PolarHBondContact O-N 3.29Å; E626-E630 VanDerWaalsContact O-N 3.07Å; L628-E630 VanDerWaalsContact C-N 3.35Å; L628-E630 PolarHBondContact O-N 2.98Å; E630-V632 VanDerWaalsContact C-N 3.34Å; E630-E633 PolarHBondContact O-N 3.44Å; E630-R634 WeakPolarHBondContact O-CB 3.37Å; E630-R634 WeakPolarHBondContact O-CG 3.37Å; E630-R634 PolarHBondContact O-N 3.29Å; E630-R634 PolarHBondContact O-NE 3.06Å
631	A	83.9	Confident	83.6	Confident	38 Å²	38	81.3 Å²	81.3	31%	0.314	42%	0.419	S	S	.	.	H	α-helix	trans	-66.3	-39.2	175.2	0	0	0	0	0	111.5	E627 L628 D629 S635	E627-A631 WeakPolarHBondContact O-CB 3.15Å; E627-A631 PolarHBondContact O-N 2.86Å; L628-A631 PolarHBondContact O-N 3Å; D629-A631 PolarHBondContact O-N 3.49Å; A631-S635 WeakPolarHBondContact O-CB 3.46Å; A631-S635 PolarHBondContact O-N 3.43Å; A631-S635 PolarHBondContact O-OG 3.35Å
632	V	86.7	Confident	82.8	Confident	71 Å²	71	83.6 Å²	83.6	43%	0.43	43%	0.429	S	S	.	.	H	α-helix	trans	-65.5	-46.9	174.3	172.1	0	0	0	0	110.3	L628 D629 E630 R634 S635 L636	L628-V632 HydrophobicContact CD1-CG2 4.47Å; L628-V632 WeakPolarHBondContact O-CG2 3.21Å; L628-V632 PolarHBondContact O-N 3.06Å; D629-V632 PolarHBondContact O-N 3.1Å; E630-V632 VanDerWaalsContact C-N 3.34Å; V632-R634 PolarHBondContact O-N 3.15Å; V632-S635 WeakPolarHBondContact O-CB 3.42Å; V632-S635 PolarHBondContact O-N 3.05Å; V632-L636 HydrophobicContact CG1-CD1 3.86Å; V632-L636 HydrophobicContact CG1-CG 4.38Å; V632-L636 WeakPolarHBondContact O-CG 3.37Å; V632-L636 PolarHBondContact O-N 3.48Å
633	E	84.4	Confident	81.3	Confident	98 Å²	98	88 Å²	88	46%	0.458	45%	0.454	S	S	.	.	H	α-helix	trans	-63.5	-42.9	-179.9	-158.7	-164.6	166.3	0	0	112	D629 E630 S635 L636 K637	D629-E633 PolarHBondContact O-N 3.28Å; E630-E633 PolarHBondContact O-N 3.44Å; E633-S635 VanDerWaalsContact C-N 3.32Å; E633-S635 PolarHBondContact O-N 2.96Å; E633-L636 PolarHBondContact O-N 2.92Å; E633-K637 WeakPolarHBondContact O-CB 3.29Å; E633-K637 WeakPolarHBondContact O-CG 3.39Å; E633-K637 PolarHBondContact O-N 3.06Å; E633-K637 WeakPolarHBondContact OE1-CE 2.97Å; E633-K637 IonicContact OE1-NZ 2.67Å; E633-K637 PolarHBondContact OE1-NZ 3.3Å; E633-K637 IonicContact OE2-NZ 3.91Å
634	R	85.1	Confident	79.4	Confident	154 Å²	154	97.1 Å²	97.1	58%	0.581	50%	0.503	S	S	*	.	H	α-helix	trans	-60	-42.3	173	-79.1	-176.6	-75	166.9	-9.2	111.9	E630 V632 K637 S638	E630-R634 WeakPolarHBondContact O-CB 3.37Å; E630-R634 WeakPolarHBondContact O-CG 3.37Å; E630-R634 PolarHBondContact O-N 3.29Å; E630-R634 PolarHBondContact O-NE 3.06Å; V632-R634 PolarHBondContact O-N 3.15Å; R634-K637 PolarHBondContact O-N 3.45Å; R634-S638 WeakPolarHBondContact O-CB 3.49Å; R634-S638 PolarHBondContact O-N 2.9Å
635	S	83.5	Confident	79.1	Confident	69 Å²	69	97.5 Å²	97.5	48%	0.483	50%	0.504	S	S	.	.	H	α-helix	trans	-64.9	-43	178.2	-62.4	0	0	0	0	111.6	A631 V632 E633 S638 L639	A631-S635 WeakPolarHBondContact O-CB 3.46Å; A631-S635 PolarHBondContact O-N 3.43Å; A631-S635 PolarHBondContact O-OG 3.35Å; V632-S635 WeakPolarHBondContact O-CB 3.42Å; V632-S635 PolarHBondContact O-N 3.05Å; E633-S635 VanDerWaalsContact C-N 3.32Å; E633-S635 PolarHBondContact O-N 2.96Å; S635-S638 PolarHBondContact O-N 3.17Å; S635-L639 WeakPolarHBondContact O-CB 3.44Å; S635-L639 WeakPolarHBondContact O-CG 3.44Å; S635-L639 PolarHBondContact O-N 2.75Å
636	L	84.3	Confident	78.8	Confident	97 Å²	97	98.3 Å²	98.3	51%	0.508	51%	0.511	S	S	.	.	H	α-helix	trans	-62.2	-48.3	175.2	-74	168.2	0	0	0	111.6	V632 E633 S638 L639 M640	V632-L636 HydrophobicContact CG1-CD1 3.86Å; V632-L636 HydrophobicContact CG1-CG 4.38Å; V632-L636 WeakPolarHBondContact O-CG 3.37Å; V632-L636 PolarHBondContact O-N 3.48Å; E633-L636 PolarHBondContact O-N 2.92Å; L636-S638 VanDerWaalsContact C-N 3.33Å; L636-S638 PolarHBondContact O-N 2.95Å; L636-L639 PolarHBondContact O-N 3.01Å; L636-M640 WeakPolarHBondContact O-CG 3.38Å; L636-M640 PolarHBondContact O-N 2.87Å
637	K	82.9	Confident	78.6	Confident	127 Å²	127	102.4 Å²	102.4	55%	0.552	53%	0.533	S	S	*	.	H	α-helix	trans	-58.4	-44	176.3	-76.3	176.2	-176.9	163.1	0	111.7	E633 R634 M640 S641	E633-K637 WeakPolarHBondContact O-CB 3.29Å; E633-K637 WeakPolarHBondContact O-CG 3.39Å; E633-K637 PolarHBondContact O-N 3.06Å; E633-K637 WeakPolarHBondContact OE1-CE 2.97Å; E633-K637 IonicContact OE1-NZ 2.67Å; E633-K637 PolarHBondContact OE1-NZ 3.3Å; E633-K637 IonicContact OE2-NZ 3.91Å; R634-K637 PolarHBondContact O-N 3.45Å; K637-M640 PolarHBondContact O-N 3.29Å; K637-S641 WeakPolarHBondContact O-CB 3.42Å; K637-S641 PolarHBondContact O-N 3.09Å; K637-S641 PolarHBondContact O-OG 2.88Å
638	S	82.4	Confident	78.2	Confident	51 Å²	51	105.3 Å²	105.3	36%	0.357	55%	0.55	S	S	.	.	H	α-helix	trans	-61.3	-45.7	175.3	163.4	0	0	0	0	112.1	R634 S635 L636 S641 K642	R634-S638 WeakPolarHBondContact O-CB 3.49Å; R634-S638 PolarHBondContact O-N 2.9Å; S635-S638 PolarHBondContact O-N 3.17Å; L636-S638 VanDerWaalsContact C-N 3.33Å; L636-S638 PolarHBondContact O-N 2.95Å; S638-S641 PolarHBondContact O-N 3.18Å; S638-S641 PolarHBondContact O-OG 3.4Å; S638-K642 WeakPolarHBondContact O-CG 3.4Å; S638-K642 PolarHBondContact O-N 2.83Å
639	L	82.6	Confident	77.7	Confident	107 Å²	107	105.1 Å²	105.1	56%	0.56	55%	0.548	S	S	*	.	H	α-helix	trans	-63.3	-41.4	177.7	-75.1	166.4	0	0	0	112.3	S635 L636 K642 N643	S635-L639 WeakPolarHBondContact O-CB 3.44Å; S635-L639 WeakPolarHBondContact O-CG 3.44Å; S635-L639 PolarHBondContact O-N 2.75Å; L636-L639 PolarHBondContact O-N 3.01Å; L639-K642 PolarHBondContact O-N 3.18Å; L639-N643 PolarHBondContact O-N 3.3Å
640	M	77	Confident	77.4	Confident	139 Å²	139	104.7 Å²	104.7	69%	0.685	55%	0.545	S	S	*	.	H	α-helix	trans	-69	-34.9	177	-66.5	-170.9	105.6	0	0	112.2	L636 K637 K642 N643	L636-M640 WeakPolarHBondContact O-CG 3.38Å; L636-M640 PolarHBondContact O-N 2.87Å; K637-M640 PolarHBondContact O-N 3.29Å; M640-K642 VanDerWaalsContact C-N 3.28Å; M640-K642 PolarHBondContact O-N 3.2Å; M640-N643 PolarHBondContact O-N 3.36Å
641	S	73.9	Confident	77	Confident	78 Å²	78	109.5 Å²	109.5	55%	0.545	57%	0.572	S	S	.	*	H	α-helix	trans	-69.6	-21.8	175.9	75.5	0	0	0	0	114.2	K637 S638	K637-S641 WeakPolarHBondContact O-CB 3.42Å; K637-S641 PolarHBondContact O-N 3.09Å; K637-S641 PolarHBondContact O-OG 2.88Å; S638-S641 PolarHBondContact O-N 3.18Å; S638-S641 PolarHBondContact O-OG 3.4Å
642	K	69.2	Low	76.5	Confident	159 Å²	159	115 Å²	115	69%	0.691	59%	0.592	S	S	*	*	H	α-helix	trans	-87.6	-13.6	176.6	-73.8	179.7	-179.4	179.6	0	113.6	S638 L639 M640	S638-K642 WeakPolarHBondContact O-CG 3.4Å; S638-K642 PolarHBondContact O-N 2.83Å; L639-K642 PolarHBondContact O-N 3.18Å; M640-K642 VanDerWaalsContact C-N 3.28Å; M640-K642 PolarHBondContact O-N 3.2Å
643	N	55.8	Low	75.7	Confident	147 Å²	147	118.7 Å²	118.7	79%	0.786	61%	0.605	S	S	*	*			trans	-99.7	-0.2	179.1	-79.9	-10.3	0	0	0	113.3	L639 M640	L639-N643 PolarHBondContact O-N 3.3Å; M640-N643 PolarHBondContact O-N 3.36Å
644	N	46.7	Very low	74.9	Confident	198 Å²	198	120.5 Å²	120.5	100%	1.059	62%	0.619	S	S	*	*			trans	-108.2	0	164.5	-75.4	-19.4	0	0	0	108.9

Retrieved 644 of 644 residues in 315.6 ms (Link to these results)

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