A0A077D7S0_DROME Loading...

IR52e

AlphaFold DB , UniProt , Accession A0A077D7S0, Species DROME (Drosophila melanogaster, Fruit fly), Gene IR52e, Length 597 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.1	Low	51.8	Low	211 Å²	211	118.5 Å²	118.5	100%	1.039	63%	0.63	S	S	*	*				0	-38.7	0	-70.3	-69.7	-99.8	0	0	113.3
2	A	48.9	Very low	51.4	Low	72 Å²	72	112.1 Å²	112.1	60%	0.595	61%	0.612	S	S	*	*	H	α-helix	trans	-75.1	-33.5	179.3	0	0	0	0	0	115.3	L4 I5	A2-L4 PolarHBondContact O-N 2.92Å; A2-I5 PolarHBondContact O-N 3.08Å
3	W	46.3	Very low	50.8	Low	212 Å²	212	111.6 Å²	111.6	80%	0.803	61%	0.609	S	S	*	*	H	α-helix	trans	-70.8	-28.8	-178.6	-110.1	43.8	0	0	0	114.5	I5 I6 L7	W3-I5 VanDerWaalsContact C-N 3.34Å; W3-I6 PolarHBondContact O-N 3.47Å; W3-L7 PolarHBondContact O-N 3.35Å
4	L	49.8	Very low	50.1	Low	124 Å²	124	109.1 Å²	109.1	65%	0.649	60%	0.604	S	S	*	*	H	α-helix	trans	-72.9	-30	180	-129	127.7	0	0	0	111.8	A2 L8	A2-L4 PolarHBondContact O-N 2.92Å; L4-L8 HydrophobicContact CD2-CD1 4.22Å; L4-L8 WeakPolarHBondContact O-CB 3.34Å; L4-L8 WeakPolarHBondContact O-CD1 3.37Å; L4-L8 WeakPolarHBondContact O-CG 3.48Å; L4-L8 PolarHBondContact O-N 3.47Å; L4-L8 VanDerWaalsContact O-N 3.08Å
5	I	56.3	Low	49.1	Very low	106 Å²	106	109.6 Å²	109.6	54%	0.544	61%	0.605	S	S	.	*	H	α-helix	trans	-73	-36.7	177.5	-62	170.3	0	0	0	110.6	A2 W3 L8 L9	A2-I5 PolarHBondContact O-N 3.08Å; W3-I5 VanDerWaalsContact C-N 3.34Å; I5-L8 PolarHBondContact O-N 3.48Å; I5-L9 HydrophobicContact CG2-CD1 3.97Å; I5-L9 WeakPolarHBondContact O-CB 3.47Å; I5-L9 WeakPolarHBondContact O-CD1 3.47Å; I5-L9 WeakPolarHBondContact O-CG 3.43Å; I5-L9 PolarHBondContact O-N 2.89Å
6	I	57.6	Low	48.5	Very low	99 Å²	99	105.8 Å²	105.8	51%	0.508	59%	0.592	S	S	.	*	H	α-helix	trans	-70.4	-39.8	177.4	-61.5	170.4	0	0	0	110.8	W3 L9 C10	W3-I6 PolarHBondContact O-N 3.47Å; I6-L9 PolarHBondContact O-N 3.47Å; I6-C10 WeakPolarHBondContact O-CB 3.44Å; I6-C10 PolarHBondContact O-N 3.2Å; I6-C10 PolarHBondContact O-SG 2.92Å
7	L	54.6	Low	47.7	Very low	117 Å²	117	110.9 Å²	110.9	61%	0.613	60%	0.6	S	S	*	*	H	α-helix	trans	-65.7	-37.6	174.6	-98.6	152.9	0	0	0	112.7	W3 C10 A11	W3-L7 PolarHBondContact O-N 3.35Å; L7-C10 PolarHBondContact O-N 3.45Å; L7-A11 WeakPolarHBondContact O-CB 3.46Å; L7-A11 PolarHBondContact O-N 3.48Å
8	L	55.3	Low	47	Very low	120 Å²	120	113.9 Å²	113.9	63%	0.628	60%	0.603	S	S	*	*	H	α-helix	trans	-68.9	-36.6	173.7	-81.2	161	0	0	0	112.6	L4 I5 G12	L4-L8 HydrophobicContact CD2-CD1 4.22Å; L4-L8 WeakPolarHBondContact O-CB 3.34Å; L4-L8 WeakPolarHBondContact O-CD1 3.37Å; L4-L8 WeakPolarHBondContact O-CG 3.48Å; L4-L8 PolarHBondContact O-N 3.47Å; L4-L8 VanDerWaalsContact O-N 3.08Å; I5-L8 PolarHBondContact O-N 3.48Å; L8-G12 PolarHBondContact O-N 2.96Å
9	L	52.7	Low	46.2	Very low	116 Å²	116	114.5 Å²	114.5	61%	0.607	61%	0.606	S	S	*	*	H	α-helix	trans	-68.1	-38	173.6	-83.6	158	0	0	0	112.2	I5 I6 N13	I5-L9 HydrophobicContact CG2-CD1 3.97Å; I5-L9 WeakPolarHBondContact O-CB 3.47Å; I5-L9 WeakPolarHBondContact O-CD1 3.47Å; I5-L9 WeakPolarHBondContact O-CG 3.43Å; I5-L9 PolarHBondContact O-N 2.89Å; I6-L9 PolarHBondContact O-N 3.47Å; L9-N13 WeakPolarHBondContact O-CB 3.49Å; L9-N13 PolarHBondContact O-N 3.34Å
10	C	48.8	Very low	45.6	Very low	73 Å²	73	115.2 Å²	115.2	49%	0.493	61%	0.61	S	S	.	*	H	α-helix	trans	-71.5	-37.2	175	-73.5	0	0	0	0	112.4	I6 L7 S14	I6-C10 WeakPolarHBondContact O-CB 3.44Å; I6-C10 PolarHBondContact O-N 3.2Å; I6-C10 PolarHBondContact O-SG 2.92Å; L7-C10 PolarHBondContact O-N 3.45Å; C10-S14 WeakPolarHBondContact O-CB 3.45Å; C10-S14 PolarHBondContact O-N 3.31Å; C10-S14 PolarHBondContact O-OG 2.67Å
11	A	48.9	Very low	44.9	Very low	54 Å²	54	119.1 Å²	119.1	45%	0.446	62%	0.617	S	S	.	*	H	α-helix	trans	-68.8	-39.2	174.4	0	0	0	0	0	111.8	L7 S14 N15	L7-A11 WeakPolarHBondContact O-CB 3.46Å; L7-A11 PolarHBondContact O-N 3.48Å; A11-S14 PolarHBondContact O-N 2.96Å; A11-N15 PolarHBondContact O-N 3.43Å
12	G	46.1	Very low	44.1	Very low	41 Å²	41	114.4 Å²	114.4	42%	0.423	60%	0.595	S	S	.	*	H	α-helix	trans	-63	-41.9	173.2	0	0	0	0	0	113.1	L8 A16	L8-G12 PolarHBondContact O-N 2.96Å; G12-A16 VanDerWaalsContact O-CB 3.31Å; G12-A16 WeakPolarHBondContact O-CB 3.45Å; G12-A16 PolarHBondContact O-N 3.46Å
13	N	44.2	Very low	43.9	Very low	106 Å²	106	115.9 Å²	115.9	57%	0.567	59%	0.59	S	S	*	*	H	α-helix	trans	-72.3	-27	175.2	-107.2	-10.3	0	0	0	113.4	L9 R17	L9-N13 WeakPolarHBondContact O-CB 3.49Å; L9-N13 PolarHBondContact O-N 3.34Å; N13-R17 WeakPolarHBondContact O-CB 3.33Å; N13-R17 WeakPolarHBondContact O-CG 3.31Å; N13-R17 PolarHBondContact O-N 2.94Å
14	S	40.2	Very low	43.5	Very low	77 Å²	77	114.7 Å²	114.7	54%	0.538	59%	0.59	S	S	.	*	H	α-helix	trans	-74.2	-41.4	175.8	-55.8	0	0	0	0	111	C10 A11 R17 Y18	C10-S14 WeakPolarHBondContact O-CB 3.45Å; C10-S14 PolarHBondContact O-N 3.31Å; C10-S14 PolarHBondContact O-OG 2.67Å; A11-S14 PolarHBondContact O-N 2.96Å; S14-R17 PolarHBondContact O-N 3.33Å; S14-Y18 WeakPolarHBondContact O-CB 3.38Å; S14-Y18 PolarHBondContact O-N 2.98Å
15	N	36.2	Very low	43.5	Very low	116 Å²	116	111.1 Å²	111.1	62%	0.62	57%	0.572	S	S	*	*	H	α-helix	trans	-68.4	-36.2	172.3	-88.3	-1.9	0	0	0	112.5	A11 Y18 L19	A11-N15 PolarHBondContact O-N 3.43Å; N15-Y18 PolarHBondContact O-N 2.91Å; N15-L19 WeakPolarHBondContact O-CB 3.33Å; N15-L19 PolarHBondContact O-N 2.97Å
16	A	39.1	Very low	43.4	Very low	48 Å²	48	108.3 Å²	108.3	40%	0.397	56%	0.562	S	S	.	*	H	α-helix	trans	-66.1	-40.4	174	0	0	0	0	0	112.2	G12 L19 D20	G12-A16 VanDerWaalsContact O-CB 3.31Å; G12-A16 WeakPolarHBondContact O-CB 3.45Å; G12-A16 PolarHBondContact O-N 3.46Å; A16-L19 PolarHBondContact O-N 2.98Å; A16-D20 PolarHBondContact O-N 3.08Å
17	R	34.8	Very low	43.6	Very low	193 Å²	193	107.9 Å²	107.9	73%	0.728	57%	0.565	S	S	*	*	H	α-helix	trans	-70.7	-27.7	172.9	-78.8	-178	173.9	-177	-1.7	113.5	N13 S14 Y21	N13-R17 WeakPolarHBondContact O-CB 3.33Å; N13-R17 WeakPolarHBondContact O-CG 3.31Å; N13-R17 PolarHBondContact O-N 2.94Å; S14-R17 PolarHBondContact O-N 3.33Å; R17-Y21 WeakPolarHBondContact O-CB 3.4Å; R17-Y21 PolarHBondContact O-N 3.45Å
18	Y	34.2	Very low	44.2	Very low	165 Å²	165	108.6 Å²	108.6	65%	0.647	57%	0.565	S	S	*	*	H	α-helix	trans	-75.1	-35.7	174.5	-150.5	-92.1	0	0	0	111.6	S14 N15 Y21 I22	S14-Y18 WeakPolarHBondContact O-CB 3.38Å; S14-Y18 PolarHBondContact O-N 2.98Å; N15-Y18 PolarHBondContact O-N 2.91Å; Y18-Y21 PolarHBondContact O-N 2.89Å; Y18-I22 HydrophobicContact CD1-CD1 4.05Å; Y18-I22 HydrophobicContact CE1-CD1 4.12Å; Y18-I22 WeakPolarHBondContact O-CG1 3.43Å; Y18-I22 PolarHBondContact O-N 3.45Å
19	L	33.3	Very low	45.3	Very low	126 Å²	126	103.4 Å²	103.4	66%	0.66	54%	0.538	S	S	*	.	H	α-helix	trans	-66.1	-41.8	169.7	-99.6	143	0	0	0	112.1	N15 A16 Y21 I22 H23	N15-L19 WeakPolarHBondContact O-CB 3.33Å; N15-L19 PolarHBondContact O-N 2.97Å; A16-L19 PolarHBondContact O-N 2.98Å; L19-Y21 VanDerWaalsContact C-N 3.31Å; L19-Y21 PolarHBondContact O-N 3.27Å; L19-I22 PolarHBondContact O-N 3.37Å; L19-H23 PolarHBondContact O-N 3.06Å
20	D	32.8	Very low	46.6	Very low	128 Å²	128	99.9 Å²	99.9	68%	0.684	52%	0.518	S	S	*	.	H	α-helix	trans	-66.8	-29.2	174.5	-96.5	-12.4	0	0	0	113.1	A16 H23	A16-D20 PolarHBondContact O-N 3.08Å; D20-H23 PolarHBondContact O-N 2.97Å
21	Y	32.1	Very low	48.2	Very low	197 Å²	197	100.2 Å²	100.2	77%	0.773	52%	0.515	S	S	*	.	H	α-helix	trans	-75.8	-25.9	178.5	-166.1	-96.8	0	0	0	112.9	R17 Y18 L19	R17-Y21 WeakPolarHBondContact O-CB 3.4Å; R17-Y21 PolarHBondContact O-N 3.45Å; Y18-Y21 PolarHBondContact O-N 2.89Å; L19-Y21 VanDerWaalsContact C-N 3.31Å; L19-Y21 PolarHBondContact O-N 3.27Å
22	I	34.9	Very low	49.9	Very low	113 Å²	113	98.5 Å²	98.5	58%	0.579	50%	0.499	S	S	*	.	H	α-helix	trans	-80.4	-25	174	-65.1	171.1	0	0	0	110.9	Y18 L19 K24	Y18-I22 HydrophobicContact CD1-CD1 4.05Å; Y18-I22 HydrophobicContact CE1-CD1 4.12Å; Y18-I22 WeakPolarHBondContact O-CG1 3.43Å; Y18-I22 PolarHBondContact O-N 3.45Å; L19-I22 PolarHBondContact O-N 3.37Å; I22-K24 PolarHBondContact O-N 3.43Å; I22-K24 VanDerWaalsContact O-N 3.08Å
23	H	43.6	Very low	51.8	Low	102 Å²	102	96.5 Å²	96.5	47%	0.472	48%	0.479	S	S	.	.			trans	-85.8	37.8	-176.7	-129.4	59.3	0	0	0	114.4	L19 D20 N25 D55	L19-H23 PolarHBondContact O-N 3.06Å; D20-H23 PolarHBondContact O-N 2.97Å; H23-N25 VanDerWaalsContact C-N 3.3Å; H23-N25 PolarHBondContact O-N 3.46Å; H23-D55 PolarHBondContact CE1-O 3.07Å
24	K	38.6	Very low	53.8	Low	187 Å²	187	94.4 Å²	94.4	81%	0.813	47%	0.465	S	S	*	.			trans	-91.9	66.5	173.7	-146	178.1	-170.4	-179.3	0	109.9	I22 S26	I22-K24 PolarHBondContact O-N 3.43Å; I22-K24 VanDerWaalsContact O-N 3.08Å; K24-S26 PolarHBondContact O-N 3.46Å
25	N	48.2	Very low	56	Low	49 Å²	49	93 Å²	93	26%	0.262	46%	0.455	S	S	.	.			trans	-56	134.4	162.1	-79.1	-14.2	0	0	0	107.8	H23	H23-N25 VanDerWaalsContact C-N 3.3Å; H23-N25 PolarHBondContact O-N 3.46Å
26	S	54.8	Low	58.4	Low	48 Å²	48	87.5 Å²	87.5	34%	0.336	43%	0.426	S	S	.	.			trans	-61.5	131.9	177.4	61.6	0	0	0	0	108.4	K24 H28 L29	K24-S26 PolarHBondContact O-N 3.46Å; S26-H28 PolarHBondContact O-N 3.16Å; S26-L29 PolarHBondContact O-N 2.69Å; S26-L29 WeakPolarHBondContact OG-CB 3.47Å
27	P	61.3	Low	60.7	Low	90 Å²	90	85.2 Å²	85.2	58%	0.584	41%	0.407	S	S	*	.	H	α-helix	trans	-57.6	-25.3	-179.4	20	-31.2	0	0	0	112.4	D31	P27-D31 PolarHBondContact O-N 3.08Å
28	H	68.5	Low	63.2	Low	132 Å²	132	78.3 Å²	78.3	61%	0.611	39%	0.386	S	S	*	.	H	α-helix	trans	-68.5	-33.4	175.3	-69.8	-59.7	0	0	0	114.4	S26 T32	S26-H28 PolarHBondContact O-N 3.16Å; H28-T32 PolarHBondContact O-N 3.41Å; H28-T32 PolarHBondContact O-OG1 3.34Å
29	L	77.2	Confident	65.7	Low	10 Å²	10	71.8 Å²	71.8	5%	0.052	36%	0.36	C	S	.	.	H	α-helix	trans	-69.8	-43.7	176.7	-176.8	68.6	0	0	0	110.7	S26 D31 T32 V33 V57 Y116 F145 D146	S26-L29 PolarHBondContact O-N 2.69Å; S26-L29 WeakPolarHBondContact OG-CB 3.47Å; L29-D31 VanDerWaalsContact C-N 3.31Å; L29-D31 PolarHBondContact O-N 3.23Å; L29-T32 PolarHBondContact O-N 2.69Å; L29-V33 HydrophobicContact CD1-CG2 4.26Å; L29-V33 HydrophobicContact CG-CG2 4.31Å; L29-V33 WeakPolarHBondContact O-CB 3.4Å; L29-V33 WeakPolarHBondContact O-CG2 3.28Å; L29-V33 PolarHBondContact O-N 3.3Å; L29-V57 HydrophobicContact CD2-CG1 4.23Å; L29-Y116 HydrophobicContact CD2-CE2 4.34Å; L29-F145 HydrophobicContact CD1-CB 4.17Å; L29-F145 HydrophobicContact CD1-CD1 4.46Å; L29-D146 HydrophobicContact CB-CB 4.24Å; L29-D146 HydrophobicContact CD1-CB 4.11Å
30	E	80.3	Confident	68.2	Low	43 Å²	43	65.8 Å²	65.8	20%	0.201	33%	0.329	C	S	.	.	H	α-helix	trans	-58.3	-42.6	179.2	-64.2	-163	155.7	0	0	112.5	F34 S60 S61 R64	E30-F34 VanDerWaalsContact O-CB 3.27Å; E30-F34 WeakPolarHBondContact O-CB 3.34Å; E30-F34 PolarHBondContact O-N 3.5Å; E30-S60 VanDerWaalsContact CD-OG 3.26Å; E30-S60 WeakPolarHBondContact OE1-CB 3.29Å; E30-S60 PolarHBondContact OE1-OG 3.03Å; E30-S61 PolarHBondContact O-OG 3.37Å; E30-R64 IonicContact OE2-NH2 3.53Å; E30-R64 PolarHBondContact OE2-NH2 3.23Å
31	D	82.9	Confident	70.6	Confident	79 Å²	79	61.8 Å²	61.8	42%	0.422	31%	0.306	S	S	.	.	H	α-helix	trans	-69.6	-38.1	179.9	-70.1	-20.1	0	0	0	111.8	P27 L29 F34 S35 R64	P27-D31 PolarHBondContact O-N 3.08Å; L29-D31 VanDerWaalsContact C-N 3.31Å; L29-D31 PolarHBondContact O-N 3.23Å; D31-F34 PolarHBondContact O-N 3.26Å; D31-S35 PolarHBondContact O-N 3.32Å; D31-R64 IonicContact OD1-CZ 3.34Å; D31-R64 IonicContact OD1-NH1 2.86Å; D31-R64 PolarHBondContact OD1-NH1 2.83Å; D31-R64 IonicContact OD1-NH2 2.77Å
32	T	84.5	Confident	73	Confident	18 Å²	18	59.3 Å²	59.3	11%	0.11	31%	0.305	C	S	.	.	H	α-helix	trans	-69.8	-44.5	178.8	-50.8	0	0	0	0	110.9	H28 L29 F34 S35 L36 F145 K149 L167	H28-T32 PolarHBondContact O-N 3.41Å; H28-T32 PolarHBondContact O-OG1 3.34Å; L29-T32 PolarHBondContact O-N 2.69Å; T32-F34 VanDerWaalsContact C-N 3.33Å; T32-F34 PolarHBondContact O-N 2.89Å; T32-S35 PolarHBondContact O-N 3.27Å; T32-S35 PolarHBondContact O-OG 3.26Å; T32-L36 PolarHBondContact O-N 2.87Å; T32-F145 HydrophobicContact CG2-CD1 3.95Å; T32-F145 HydrophobicContact CG2-CE1 3.63Å; T32-F145 HydrophobicContact CG2-CZ 4.18Å; T32-K149 HydrophobicContact CG2-CG 4.14Å; T32-L167 HydrophobicContact CG2-CD2 3.95Å
33	V	85.7	Confident	75.3	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61.2	-41.9	173.3	171.3	0	0	0	0	110.7	L29 S35 L36 L37 F58 I141 F145	L29-V33 HydrophobicContact CD1-CG2 4.26Å; L29-V33 HydrophobicContact CG-CG2 4.31Å; L29-V33 WeakPolarHBondContact O-CB 3.4Å; L29-V33 WeakPolarHBondContact O-CG2 3.28Å; L29-V33 PolarHBondContact O-N 3.3Å; V33-S35 VanDerWaalsContact C-N 3.35Å; V33-S35 PolarHBondContact O-N 2.91Å; V33-L36 WeakPolarHBondContact O-CB 3.48Å; V33-L36 PolarHBondContact O-N 3.45Å; V33-L37 HydrophobicContact CG1-CD1 4.19Å; V33-L37 HydrophobicContact CG1-CG 4.43Å; V33-L37 WeakPolarHBondContact O-CG 3.2Å; V33-L37 PolarHBondContact O-N 3.49Å; V33-F58 HydrophobicContact CG1-CD1 3.58Å; V33-F58 HydrophobicContact CG1-CE1 3.73Å; V33-I141 HydrophobicContact CG2-CD1 4.2Å; V33-F145 HydrophobicContact CG2-CD1 4.08Å; V33-F145 HydrophobicContact CG2-CE1 4.32Å
34	F	86.3	Confident	76.7	Confident	61 Å²	61	56.3 Å²	56.3	27%	0.268	29%	0.289	S	S	.	.	H	α-helix	trans	-59.2	-44.7	175	178.2	-104	0	0	0	111.8	E30 D31 T32 L36 L37 V38 R64 L65	E30-F34 VanDerWaalsContact O-CB 3.27Å; E30-F34 WeakPolarHBondContact O-CB 3.34Å; E30-F34 PolarHBondContact O-N 3.5Å; D31-F34 PolarHBondContact O-N 3.26Å; T32-F34 VanDerWaalsContact C-N 3.33Å; T32-F34 PolarHBondContact O-N 2.89Å; F34-L36 VanDerWaalsContact C-N 3.29Å; F34-L36 PolarHBondContact O-N 3.17Å; F34-L37 PolarHBondContact O-N 3.03Å; F34-V38 HydrophobicContact CD1-CG2 4.26Å; F34-V38 HydrophobicContact CE1-CG2 3.83Å; F34-V38 HydrophobicContact CE2-CG2 4.11Å; F34-V38 HydrophobicContact CZ-CG2 3.74Å; F34-V38 WeakPolarHBondContact O-CG2 3.44Å; F34-V38 PolarHBondContact O-N 2.71Å; F34-R64 HydrophobicContact CD2-CB 3.73Å; F34-R64 HydrophobicContact CE2-CB 3.47Å; F34-R64 VanDerWaalsContact CE2-CB 3.47Å; F34-R64 HydrophobicContact CZ-CB 4.27Å; F34-L65 HydrophobicContact CD2-CD2 4.34Å; F34-L65 HydrophobicContact CD2-CG 4.43Å; F34-L65 HydrophobicContact CE2-CD2 3.8Å; F34-L65 HydrophobicContact CE2-CG 4.09Å
35	S	86.8	Confident	77.5	Confident	48 Å²	48	54.3 Å²	54.3	34%	0.336	28%	0.28	S	S	.	.	H	α-helix	trans	-64.4	-33.6	176.8	77.6	0	0	0	0	113.2	D31 T32 V33 V38 R39 L167	D31-S35 PolarHBondContact O-N 3.32Å; T32-S35 PolarHBondContact O-N 3.27Å; T32-S35 PolarHBondContact O-OG 3.26Å; V33-S35 VanDerWaalsContact C-N 3.35Å; V33-S35 PolarHBondContact O-N 2.91Å; S35-V38 PolarHBondContact O-N 3.04Å; S35-R39 WeakPolarHBondContact O-CB 3.31Å; S35-R39 PolarHBondContact O-N 3.21Å; S35-L167 WeakPolarHBondContact OG-CD2 3.24Å
36	L	87.4	Confident	77.8	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.9	-45.5	174	176.2	61.7	0	0	0	110.5	T32 V33 F34 V38 R39 L40 L114 I141 F145 V151 L167	T32-L36 PolarHBondContact O-N 2.87Å; V33-L36 WeakPolarHBondContact O-CB 3.48Å; V33-L36 PolarHBondContact O-N 3.45Å; F34-L36 VanDerWaalsContact C-N 3.29Å; F34-L36 PolarHBondContact O-N 3.17Å; L36-V38 VanDerWaalsContact C-N 3.34Å; L36-V38 PolarHBondContact O-N 3.05Å; L36-R39 WeakPolarHBondContact O-CB 2.89Å; L36-R39 PolarHBondContact O-N 3.39Å; L36-L40 HydrophobicContact CD1-CD1 4.5Å; L36-L40 HydrophobicContact CD1-CG 4.29Å; L36-L40 HydrophobicContact CG-CD1 4.28Å; L36-L40 HydrophobicContact CG-CG 4.49Å; L36-L40 WeakPolarHBondContact O-CG 3.04Å; L36-L40 PolarHBondContact O-N 2.97Å; L36-L114 HydrophobicContact CD2-CD1 4.32Å; L36-L114 HydrophobicContact CD2-CD2 3.88Å; L36-I141 HydrophobicContact CD2-CG2 3.9Å; L36-F145 HydrophobicContact CB-CE1 4.29Å; L36-F145 HydrophobicContact CB-CZ 4.17Å; L36-F145 HydrophobicContact CD2-CE1 4.11Å; L36-F145 HydrophobicContact CD2-CZ 3.79Å; L36-F145 HydrophobicContact CG-CZ 4.45Å; L36-V151 HydrophobicContact CD1-CG2 3.77Å; L36-V151 HydrophobicContact CD2-CG2 3.9Å; L36-V151 HydrophobicContact CG-CG2 4.5Å; L36-L167 HydrophobicContact CB-CD1 3.88Å; L36-L167 HydrophobicContact CD1-CD1 3.89Å
37	L	86.6	Confident	77.9	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-64.4	-39	178.7	-64.3	173.6	0	0	0	112.1	V33 F34 R39 L40 Q41 L49 L51 L65 L114	V33-L37 HydrophobicContact CG1-CD1 4.19Å; V33-L37 HydrophobicContact CG1-CG 4.43Å; V33-L37 WeakPolarHBondContact O-CG 3.2Å; V33-L37 PolarHBondContact O-N 3.49Å; F34-L37 PolarHBondContact O-N 3.03Å; L37-R39 VanDerWaalsContact C-N 3.34Å; L37-L40 PolarHBondContact O-N 2.01Å; L37-Q41 PolarHBondContact O-N 2.86Å; L37-L49 HydrophobicContact CD2-CD2 3.92Å; L37-L51 HydrophobicContact CD1-CD1 4.29Å; L37-L51 HydrophobicContact CD2-CD1 3.88Å; L37-L51 HydrophobicContact CD2-CD2 3.97Å; L37-L65 HydrophobicContact CB-CD1 3.7Å; L37-L65 HydrophobicContact CB-CD2 4.46Å; L37-L65 HydrophobicContact CD1-CD1 3.8Å; L37-L65 HydrophobicContact CG-CD1 4.3Å; L37-L114 HydrophobicContact CD2-CD2 4.35Å
38	V	86.8	Confident	78	Confident	48 Å²	48	49.7 Å²	49.7	29%	0.291	25%	0.247	S	C	.	.	H	α-helix	trans	-62.4	-42.5	172.7	172.2	0	0	0	0	110.7	F34 S35 L36 Q41 L42 L65	F34-V38 HydrophobicContact CD1-CG2 4.26Å; F34-V38 HydrophobicContact CE1-CG2 3.83Å; F34-V38 HydrophobicContact CE2-CG2 4.11Å; F34-V38 HydrophobicContact CZ-CG2 3.74Å; F34-V38 WeakPolarHBondContact O-CG2 3.44Å; F34-V38 PolarHBondContact O-N 2.71Å; S35-V38 PolarHBondContact O-N 3.04Å; L36-V38 VanDerWaalsContact C-N 3.34Å; L36-V38 PolarHBondContact O-N 3.05Å; V38-Q41 WeakPolarHBondContact O-CB 3.48Å; V38-Q41 PolarHBondContact O-N 3.16Å; V38-L42 HydrophobicContact CG1-CD1 4.33Å; V38-L42 WeakPolarHBondContact O-CG 3.35Å; V38-L42 PolarHBondContact O-N 3.26Å; V38-L42 VanDerWaalsContact O-N 3.09Å; V38-L65 HydrophobicContact CG2-CD2 4Å
39	R	87.6	Confident	78.4	Confident	29 Å²	29	43.4 Å²	43.4	11%	0.109	22%	0.218	C	C	.	.	H	α-helix	trans	-61.3	-47	174.8	174.7	178.4	166.4	180	-6.9	111.7	S35 L36 L37 Q41 L42 E43 S166 L167 D169 T171	S35-R39 WeakPolarHBondContact O-CB 3.31Å; S35-R39 PolarHBondContact O-N 3.21Å; L36-R39 WeakPolarHBondContact O-CB 2.89Å; L36-R39 PolarHBondContact O-N 3.39Å; L37-R39 VanDerWaalsContact C-N 3.34Å; R39-Q41 PolarHBondContact O-N 3.13Å; R39-L42 WeakPolarHBondContact O-CB 3.23Å; R39-L42 PolarHBondContact O-N 3.13Å; R39-E43 HydrophobicContact CG-CG 4.38Å; R39-E43 IonicContact CZ-OE1 2.7Å; R39-E43 IonicContact NE-OE1 2.71Å; R39-E43 PolarHBondContact NE-OE1 3.26Å; R39-E43 IonicContact NH2-OE1 3.55Å; R39-E43 PolarHBondContact NH2-OE1 3.1Å; R39-E43 PolarHBondContact O-N 2.98Å; R39-S166 PolarHBondContact NH1-O 2.86Å; R39-L167 PolarHBondContact NH1-O 3.35Å; R39-D169 PolarHBondContact NH1-O 3.21Å; R39-D169 PolarHBondContact NH2-O 2.86Å; R39-D169 VanDerWaalsContact NH2-O 3.11Å; R39-T171 PolarHBondContact NH2-O 3.38Å
40	L	85.8	Confident	78.6	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.2	-31.1	177.9	-69.8	176.9	0	0	0	112.6	L36 L37 E44 F46 L49 R112 L114 V173 F174	L36-L40 HydrophobicContact CD1-CD1 4.5Å; L36-L40 HydrophobicContact CD1-CG 4.29Å; L36-L40 HydrophobicContact CG-CD1 4.28Å; L36-L40 HydrophobicContact CG-CG 4.49Å; L36-L40 WeakPolarHBondContact O-CG 3.04Å; L36-L40 PolarHBondContact O-N 2.97Å; L37-L40 PolarHBondContact O-N 2.01Å; L40-E44 PolarHBondContact O-N 3.47Å; L40-F46 HydrophobicContact CB-CE1 4.23Å; L40-L49 HydrophobicContact CD1-CD1 4.47Å; L40-L49 HydrophobicContact CD1-CD2 4.07Å; L40-R112 PolarHBondContact O-NH1 2.86Å; L40-R112 VanDerWaalsContact O-NH1 3.12Å; L40-L114 HydrophobicContact CD1-CD2 4.26Å; L40-V173 HydrophobicContact CD2-CB 3.78Å; L40-V173 HydrophobicContact CD2-CG1 4.2Å; L40-V173 HydrophobicContact CD2-CG2 3.97Å; L40-F174 HydrophobicContact CD1-CE2 4.18Å; L40-F174 HydrophobicContact CD2-CD2 3.77Å; L40-F174 HydrophobicContact CD2-CE2 3.68Å
41	Q	82.9	Confident	78.7	Confident	43 Å²	43	40.9 Å²	40.9	20%	0.201	21%	0.206	C	C	.	.	H	α-helix	trans	-67.7	-37.2	172.1	-170.6	170	14.1	0	0	112.5	L37 V38 R39 E44 F45 F46	L37-Q41 PolarHBondContact O-N 2.86Å; V38-Q41 WeakPolarHBondContact O-CB 3.48Å; V38-Q41 PolarHBondContact O-N 3.16Å; R39-Q41 PolarHBondContact O-N 3.13Å; Q41-E44 CarbonylContact O-C 3.52Å; Q41-F45 HydrophobicContact CG-CD2 4Å; Q41-F45 HydrophobicContact CG-CE2 4.25Å; Q41-F45 WeakPolarHBondContact O-CA 2.98Å; Q41-F45 PolarHBondContact O-N 3.03Å; Q41-F46 VanDerWaalsContact CA-CZ 3.4Å; Q41-F46 HydrophobicContact CB-CD2 4.35Å; Q41-F46 HydrophobicContact CB-CE1 4.27Å; Q41-F46 HydrophobicContact CB-CE2 3.4Å; Q41-F46 HydrophobicContact CB-CZ 3.36Å; Q41-F46 HydrophobicContact CG-CD2 3.96Å; Q41-F46 HydrophobicContact CG-CE2 3.34Å; Q41-F46 HydrophobicContact CG-CZ 3.89Å
42	L	83.3	Confident	78.7	Confident	145 Å²	145	37.4 Å²	37.4	76%	0.759	19%	0.187	S	C	*	.	H	α-helix	trans	-76.9	-36.3	179.4	-69.1	172.4	0	0	0	112.5	V38 R39 E44	V38-L42 HydrophobicContact CG1-CD1 4.33Å; V38-L42 WeakPolarHBondContact O-CG 3.35Å; V38-L42 PolarHBondContact O-N 3.26Å; V38-L42 VanDerWaalsContact O-N 3.09Å; R39-L42 WeakPolarHBondContact O-CB 3.23Å; R39-L42 PolarHBondContact O-N 3.13Å; L42-E44 VanDerWaalsContact C-N 3.35Å
43	E	82.2	Confident	78.4	Confident	65 Å²	65	36.6 Å²	36.6	30%	0.304	18%	0.182	S	C	.	.	H	α-helix	trans	-62.5	-43	176.5	-74.1	-178	-174.5	0	0	111.3	R39 V173	R39-E43 HydrophobicContact CG-CG 4.38Å; R39-E43 IonicContact CZ-OE1 2.7Å; R39-E43 IonicContact NE-OE1 2.71Å; R39-E43 PolarHBondContact NE-OE1 3.26Å; R39-E43 IonicContact NH2-OE1 3.55Å; R39-E43 PolarHBondContact NH2-OE1 3.1Å; R39-E43 PolarHBondContact O-N 2.98Å; E43-V173 PolarHBondContact OE2-N 2.93Å
44	E	73.1	Confident	77.7	Confident	88 Å²	88	40 Å²	40	41%	0.411	20%	0.198	S	C	.	.	S	Bend	trans	-154.9	112.8	175.8	-172.5	178.6	-150.8	0	0	109.1	L40 Q41 L42 F46 R112	L40-E44 PolarHBondContact O-N 3.47Å; Q41-E44 CarbonylContact O-C 3.52Å; L42-E44 VanDerWaalsContact C-N 3.35Å; E44-F46 PolarHBondContact O-N 3.38Å; E44-F46 VanDerWaalsContact O-N 3.08Å; E44-R112 PolarHBondContact O-NH2 3.34Å; E44-R112 IonicContact OE2-CZ 3.64Å; E44-R112 IonicContact OE2-NE 3.93Å; E44-R112 IonicContact OE2-NH2 3.97Å
45	F	56.4	Low	77	Confident	144 Å²	144	41.1 Å²	41.1	63%	0.632	21%	0.207	S	C	*	.			trans	-65.6	109.2	-177.9	-163.5	-98.1	0	0	0	109.2	Q41 L86	Q41-F45 HydrophobicContact CG-CD2 4Å; Q41-F45 HydrophobicContact CG-CE2 4.25Å; Q41-F45 WeakPolarHBondContact O-CA 2.98Å; Q41-F45 PolarHBondContact O-N 3.03Å; F45-L86 HydrophobicContact CD1-CD2 3.9Å; F45-L86 HydrophobicContact CE1-CD2 3.85Å
46	F	53.5	Low	76.5	Confident	4 Å²	4	40.7 Å²	40.7	2%	0.018	20%	0.204	C	C	.	.			trans	-43	135.7	-147.9	-54.6	-72.9	0	0	0	118.9	L40 Q41 E44 L49 V67 S85 L86	L40-F46 HydrophobicContact CB-CE1 4.23Å; Q41-F46 VanDerWaalsContact CA-CZ 3.4Å; Q41-F46 HydrophobicContact CB-CD2 4.35Å; Q41-F46 HydrophobicContact CB-CE1 4.27Å; Q41-F46 HydrophobicContact CB-CE2 3.4Å; Q41-F46 HydrophobicContact CB-CZ 3.36Å; Q41-F46 HydrophobicContact CG-CD2 3.96Å; Q41-F46 HydrophobicContact CG-CE2 3.34Å; Q41-F46 HydrophobicContact CG-CZ 3.89Å; E44-F46 PolarHBondContact O-N 3.38Å; E44-F46 VanDerWaalsContact O-N 3.08Å; F46-L49 HydrophobicContact CD1-CB 4.02Å; F46-L49 HydrophobicContact CD1-CD2 4.46Å; F46-L49 HydrophobicContact CE1-CB 4.25Å; F46-L49 HydrophobicContact CE1-CD2 3.85Å; F46-V67 HydrophobicContact CD2-CG2 4.42Å; F46-V67 HydrophobicContact CE2-CG2 4.26Å; F46-S85 CarbonylContact C-O 3.59Å; F46-S85 VanDerWaalsContact C-O 3.31Å; F46-S85 CarbonylContact O-C 3.57Å; F46-S85 VanDerWaalsContact O-C 3.3Å; F46-L86 WeakPolarHBondContact O-CD2 3.25Å
47	D	56.8	Low	76.1	Confident	83 Å²	83	41.2 Å²	41.2	44%	0.444	21%	0.207	S	C	.	.	S	Bend	trans	-103.9	-4.7	163.9	-107.2	-0	0	0	0	114	S85	D47-S85 CarbonylContact C-O 3.54Å; D47-S85 WeakPolarHBondContact CA-O 3.47Å; D47-S85 PolarHBondContact N-O 2.7Å; D47-S85 WeakPolarHBondContact O-CA 3.46Å; D47-S85 VanDerWaalsContact O-O 3.1Å; D47-S85 WeakPolarHBondContact OD1-CB 3.42Å
48	T	63.6	Low	75.9	Confident	3 Å²	3	41.3 Å²	41.3	2%	0.018	21%	0.207	C	C	.	.			trans	147	117.5	159.2	-66.7	0	0	0	0	107.6	L50 F83 S85 T87 I89 N111	T48-L50 HydrophobicContact CG2-CD1 4.25Å; T48-F83 HydrophobicContact CG2-CD2 4.06Å; T48-F83 HydrophobicContact CG2-CE2 3.93Å; T48-F83 VanDerWaalsContact OG1-CD2 3.25Å; T48-F83 WeakPolarHBondContact OG1-CD2 3.42Å; T48-F83 WeakPolarHBondContact OG1-CE2 3.04Å; T48-S85 PolarHBondContact N-O 3.5Å; T48-T87 VanDerWaalsContact CA-O 3.27Å; T48-T87 WeakPolarHBondContact CA-O 3.4Å; T48-T87 WeakPolarHBondContact CG2-O 3.34Å; T48-I89 HydrophobicContact CG2-CD1 3.56Å; T48-I89 HydrophobicContact CG2-CG1 3.86Å; T48-N111 WeakPolarHBondContact CB-ND2 3.36Å; T48-N111 VanDerWaalsContact CG2-ND2 3.27Å; T48-N111 WeakPolarHBondContact CG2-ND2 3.39Å
49	L	77.8	Confident	75.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	125.9	178.7	-179.3	67.7	0	0	0	109.7	L37 L40 F46 L51 T87 L88 I89 R112 F174	L37-L49 HydrophobicContact CD2-CD2 3.92Å; L40-L49 HydrophobicContact CD1-CD1 4.47Å; L40-L49 HydrophobicContact CD1-CD2 4.07Å; F46-L49 HydrophobicContact CD1-CB 4.02Å; F46-L49 HydrophobicContact CD1-CD2 4.46Å; F46-L49 HydrophobicContact CE1-CB 4.25Å; F46-L49 HydrophobicContact CE1-CD2 3.85Å; L49-L51 HydrophobicContact CD1-CD2 4.46Å; L49-L51 HydrophobicContact CD2-CD2 3.73Å; L49-L51 HydrophobicContact CD2-CG 4.47Å; L49-L51 HydrophobicContact CG-CD2 3.8Å; L49-L51 HydrophobicContact CG-CG 4.44Å; L49-T87 PolarHBondContact N-O 3.03Å; L49-L88 HydrophobicContact CD2-CD1 4.38Å; L49-I89 PolarHBondContact O-N 3.35Å; L49-R112 HydrophobicContact CD1-CB 3.7Å; L49-F174 HydrophobicContact CD1-CE2 4.37Å
50	L	80.4	Confident	75.4	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	122.8	177.2	-62.5	86.9	0	0	0	109.9	T48 Y52 I89 L108 N111 R112 R113 L114	T48-L50 HydrophobicContact CG2-CD1 4.25Å; L50-Y52 HydrophobicContact CB-CD2 4.41Å; L50-Y52 HydrophobicContact CB-CE2 3.61Å; L50-Y52 HydrophobicContact CD2-CE2 4.14Å; L50-Y52 WeakPolarHBondContact CD2-OH 3.49Å; L50-I89 CarbonylContact C-O 3.26Å; L50-I89 VanDerWaalsContact CA-O 3.31Å; L50-I89 WeakPolarHBondContact CA-O 3.44Å; L50-I89 HydrophobicContact CG-CB 4.19Å; L50-L108 HydrophobicContact CD2-CD2 4.11Å; L50-N111 HydrophobicContact CD1-CB 3.19Å; L50-R112 PolarHBondContact N-O 3.16Å; L50-R113 HydrophobicContact CB-CG 4.19Å; L50-R113 HydrophobicContact CD1-CG 4.5Å; L50-R113 WeakPolarHBondContact O-CA 3.28Å; L50-L114 PolarHBondContact O-N 2.89Å
51	L	82.7	Confident	75.1	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	121.6	179.2	-58.4	-170.2	0	0	0	109.6	L37 L49 F58 L88 I89 L90 S91 L114	L37-L51 HydrophobicContact CD1-CD1 4.29Å; L37-L51 HydrophobicContact CD2-CD1 3.88Å; L37-L51 HydrophobicContact CD2-CD2 3.97Å; L49-L51 HydrophobicContact CD1-CD2 4.46Å; L49-L51 HydrophobicContact CD2-CD2 3.73Å; L49-L51 HydrophobicContact CD2-CG 4.47Å; L49-L51 HydrophobicContact CG-CD2 3.8Å; L49-L51 HydrophobicContact CG-CG 4.44Å; L51-F58 HydrophobicContact CB-CB 4.1Å; L51-F58 HydrophobicContact CB-CD2 3.85Å; L51-F58 HydrophobicContact CB-CE2 4.4Å; L51-F58 HydrophobicContact CB-CG 3.94Å; L51-F58 HydrophobicContact CD1-CB 3.66Å; L51-F58 HydrophobicContact CD1-CD1 3.94Å; L51-F58 HydrophobicContact CD1-CG 3.82Å; L51-F58 HydrophobicContact CG-CG 4.39Å; L51-L88 HydrophobicContact CD1-CD1 4.01Å; L51-L88 HydrophobicContact CD1-CD2 3.76Å; L51-L88 HydrophobicContact CD1-CG 4.26Å; L51-L88 HydrophobicContact CG-CD1 4.48Å; L51-L88 HydrophobicContact CG-CD2 4.04Å; L51-L88 HydrophobicContact CG-CG 4.38Å; L51-I89 PolarHBondContact N-O 3.22Å; L51-L90 HydrophobicContact CB-CG 4.45Å; L51-L90 HydrophobicContact CD1-CD1 4.46Å; L51-S91 PolarHBondContact O-N 3.21Å; L51-L114 HydrophobicContact CD2-CB 3.69Å; L51-L114 HydrophobicContact CD2-CD2 3.95Å; L51-L114 HydrophobicContact CD2-CG 4.35Å
52	Y	81.5	Confident	74.9	Confident	6 Å²	6	40.7 Å²	40.7	2%	0.024	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	120.8	178.4	-65	-77.6	0	0	0	110.4	L50 F58 S91 E97 R113 L114 V115 Y116	L50-Y52 HydrophobicContact CB-CD2 4.41Å; L50-Y52 HydrophobicContact CB-CE2 3.61Å; L50-Y52 HydrophobicContact CD2-CE2 4.14Å; L50-Y52 WeakPolarHBondContact CD2-OH 3.49Å; Y52-F58 WeakPolarHBondContact O-CE2 3.4Å; Y52-S91 WeakPolarHBondContact CA-O 3.38Å; Y52-E97 HydrophobicContact CE1-CB 3.87Å; Y52-E97 VanDerWaalsContact CZ-OE2 3.24Å; Y52-E97 WeakPolarHBondContact OH-CG 3.46Å; Y52-E97 PolarHBondContact OH-OE2 3.37Å; Y52-R113 HydrophobicContact CE2-CG 4.18Å; Y52-L114 PolarHBondContact N-O 3.13Å; Y52-V115 HydrophobicContact CD2-CG2 4.32Å; Y52-V115 CarbonylContact O-C 3.45Å; Y52-V115 WeakPolarHBondContact O-CA 3.38Å; Y52-Y116 PolarHBondContact O-N 2.85Å
53	G	79	Confident	74.9	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.01	20%	0.204	C	C	.	.			trans	-160.8	133.1	174	0	0	0	0	0	112.4	C56 S91 C92	G53-C56 PolarHBondContact O-N 3.35Å; G53-C56 VanDerWaalsContact O-N 3.17Å; G53-S91 PolarHBondContact N-O 3.45Å; G53-C92 CarbonylContact O-C 3.3Å; G53-C92 WeakPolarHBondContact O-CA 3.11Å; G53-C92 VanDerWaalsContact O-O 3.07Å
54	E	71.1	Confident	74.9	Confident	71 Å²	71	45.3 Å²	45.3	33%	0.332	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-54.5	146.5	173.2	-70.3	-178.3	-177.2	0	0	111.1	C56 V57 C92 H94	E54-C56 PolarHBondContact O-N 2.92Å; E54-V57 WeakPolarHBondContact O-CG2 3.46Å; E54-C92 VanDerWaalsContact CA-O 3.29Å; E54-C92 WeakPolarHBondContact CA-O 3.42Å; E54-H94 IonicContact OE1-CE1 3.46Å; E54-H94 PolarHBondContact OE1-CE1 2.85Å; E54-H94 IonicContact OE1-ND1 3.68Å
55	D	71.7	Confident	75.2	Confident	84 Å²	84	41.8 Å²	41.8	45%	0.449	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	56.5	19.1	-175.7	-59.1	-32.7	0	0	0	114.8	H23 V57 R118	H23-D55 PolarHBondContact CE1-O 3.07Å; D55-V57 PolarHBondContact O-N 3.04Å; D55-R118 IonicContact OD2-CZ 3.55Å; D55-R118 IonicContact OD2-NH1 3.94Å; D55-R118 PolarHBondContact OD2-NH1 2.92Å; D55-R118 IonicContact OD2-NH2 3.73Å
56	C	76.6	Confident	76.4	Confident	40 Å²	40	43.1 Å²	43.1	27%	0.27	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	57.8	39.4	177.8	-46.3	0	0	0	0	114.5	G53 E54 F58 H59 C92	G53-C56 PolarHBondContact O-N 3.35Å; G53-C56 VanDerWaalsContact O-N 3.17Å; E54-C56 PolarHBondContact O-N 2.92Å; C56-F58 PolarHBondContact O-N 3.3Å; C56-H59 HydrophobicContact CB-CB 3.96Å; C56-H59 VanDerWaalsContact O-CB 3.25Å; C56-H59 WeakPolarHBondContact O-CB 3.31Å; C56-H59 PolarHBondContact O-N 3.28Å; C56-C92 HydrophobicContact CB-CB 4.01Å; C56-C92 WeakPolarHBondContact CB-SG 3.5Å; C56-C92 WeakPolarHBondContact SG-CB 3.07Å; C56-C92 CovalentContact SG-SG 2.01Å; C56-C92 PolarHBondContact SG-SG 3.02Å
57	V	79.4	Confident	77.5	Confident	11 Å²	11	44.3 Å²	44.3	7%	0.067	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-34.7	-177.1	-177.7	0	0	0	0	113.6	L29 E54 D55 H59 Y116	L29-V57 HydrophobicContact CD2-CG1 4.23Å; E54-V57 WeakPolarHBondContact O-CG2 3.46Å; D55-V57 PolarHBondContact O-N 3.04Å; V57-H59 VanDerWaalsContact C-N 3.32Å; V57-H59 PolarHBondContact O-N 3.37Å; V57-Y116 HydrophobicContact CB-CD1 4.47Å; V57-Y116 HydrophobicContact CG2-CD1 3.88Å; V57-Y116 HydrophobicContact CG2-CE1 3.81Å
58	F	82.6	Confident	78.8	Confident	1 Å²	1	44.5 Å²	44.5	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-76.9	-10.6	-179.4	-64.8	-72.3	0	0	0	115	V33 L51 Y52 C56 S62 L90 L114 I141	V33-F58 HydrophobicContact CG1-CD1 3.58Å; V33-F58 HydrophobicContact CG1-CE1 3.73Å; L51-F58 HydrophobicContact CB-CB 4.1Å; L51-F58 HydrophobicContact CB-CD2 3.85Å; L51-F58 HydrophobicContact CB-CE2 4.4Å; L51-F58 HydrophobicContact CB-CG 3.94Å; L51-F58 HydrophobicContact CD1-CB 3.66Å; L51-F58 HydrophobicContact CD1-CD1 3.94Å; L51-F58 HydrophobicContact CD1-CG 3.82Å; L51-F58 HydrophobicContact CG-CG 4.39Å; Y52-F58 WeakPolarHBondContact O-CE2 3.4Å; C56-F58 PolarHBondContact O-N 3.3Å; F58-S62 WeakPolarHBondContact O-CB 3.36Å; F58-S62 PolarHBondContact O-N 3.13Å; F58-S62 PolarHBondContact O-OG 3.19Å; F58-L90 HydrophobicContact CB-CD1 3.7Å; F58-L90 HydrophobicContact CB-CG 4.47Å; F58-L114 HydrophobicContact CE1-CD2 3.79Å; F58-L114 HydrophobicContact CE1-CG 4.4Å; F58-L114 HydrophobicContact CZ-CD2 4Å; F58-L114 HydrophobicContact CZ-CG 4.09Å; F58-I141 HydrophobicContact CE1-CD1 3.78Å; F58-I141 HydrophobicContact CZ-CD1 3.65Å; F58-I141 HydrophobicContact CZ-CG1 4.24Å
59	H	82.1	Confident	79.6	Confident	69 Å²	69	47.1 Å²	47.1	32%	0.319	24%	0.24	S	C	.	.	H	α-helix	trans	-70.2	-36.6	-171	173.4	-107.3	0	0	0	113.3	C56 V57 S62 R63 L90	C56-H59 HydrophobicContact CB-CB 3.96Å; C56-H59 VanDerWaalsContact O-CB 3.25Å; C56-H59 WeakPolarHBondContact O-CB 3.31Å; C56-H59 PolarHBondContact O-N 3.28Å; V57-H59 VanDerWaalsContact C-N 3.32Å; V57-H59 PolarHBondContact O-N 3.37Å; H59-S62 PolarHBondContact O-OG 2.87Å; H59-R63 PolarHBondContact CE1-NE 3.09Å; H59-R63 VanDerWaalsContact CE1-NE 3.26Å; H59-R63 PolarHBondContact CE1-NH2 2.86Å; H59-R63 PolarHBondContact NE2-NE 2.92Å; H59-R63 VanDerWaalsContact NE2-NE 3.16Å; H59-R63 PolarHBondContact NE2-NH2 3.16Å; H59-R63 VanDerWaalsContact NE2-NH2 3.13Å; H59-R63 WeakPolarHBondContact O-CG 3.22Å; H59-R63 PolarHBondContact O-N 3Å; H59-L90 HydrophobicContact CB-CD1 4.36Å; H59-L90 HydrophobicContact CB-CD2 4.31Å
60	S	80.4	Confident	79.8	Confident	36 Å²	36	50.5 Å²	50.5	25%	0.252	26%	0.26	S	S	.	.	H	α-helix	trans	-72.1	-44	176.5	57.6	0	0	0	0	111.8	E30	E30-S60 VanDerWaalsContact CD-OG 3.26Å; E30-S60 WeakPolarHBondContact OE1-CB 3.29Å; E30-S60 PolarHBondContact OE1-OG 3.03Å
61	S	80.3	Confident	79.8	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.007	29%	0.285	C	S	.	.	H	α-helix	trans	-68.7	-36.1	177.9	-58.3	0	0	0	0	112.9	E30 R64	E30-S61 PolarHBondContact O-OG 3.37Å; S61-R64 WeakPolarHBondContact O-CB 3.49Å; S61-R64 PolarHBondContact O-N 3.4Å
62	S	79.4	Confident	79.5	Confident	1 Å²	1	56 Å²	56	1%	0.007	29%	0.29	C	S	.	.	H	α-helix	trans	-68.5	-33.3	178.8	65.3	0	0	0	0	112.9	F58 H59 R64 L65	F58-S62 WeakPolarHBondContact O-CB 3.36Å; F58-S62 PolarHBondContact O-N 3.13Å; F58-S62 PolarHBondContact O-OG 3.19Å; H59-S62 PolarHBondContact O-OG 2.87Å; S62-R64 PolarHBondContact O-N 2.89Å; S62-L65 WeakPolarHBondContact O-CB 3.36Å; S62-L65 PolarHBondContact O-N 3.1Å
63	R	81.9	Confident	78.9	Confident	187 Å²	187	60.5 Å²	60.5	71%	0.706	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-24.1	173.7	-78.2	-179.8	178.7	-156.3	-2.4	113.9	H59 L65	H59-R63 PolarHBondContact CE1-NE 3.09Å; H59-R63 VanDerWaalsContact CE1-NE 3.26Å; H59-R63 PolarHBondContact CE1-NH2 2.86Å; H59-R63 PolarHBondContact NE2-NE 2.92Å; H59-R63 VanDerWaalsContact NE2-NE 3.16Å; H59-R63 PolarHBondContact NE2-NH2 3.16Å; H59-R63 VanDerWaalsContact NE2-NH2 3.13Å; H59-R63 WeakPolarHBondContact O-CG 3.22Å; H59-R63 PolarHBondContact O-N 3Å; R63-L65 VanDerWaalsContact C-N 3.28Å
64	R	82.9	Confident	78.4	Confident	120 Å²	120	63.8 Å²	63.8	45%	0.453	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-15.5	176.2	-58.4	-175.9	-170.3	-178.2	6.9	111.9	E30 D31 F34 S61 S62	E30-R64 IonicContact OE2-NH2 3.53Å; E30-R64 PolarHBondContact OE2-NH2 3.23Å; D31-R64 IonicContact OD1-CZ 3.34Å; D31-R64 IonicContact OD1-NH1 2.86Å; D31-R64 PolarHBondContact OD1-NH1 2.83Å; D31-R64 IonicContact OD1-NH2 2.77Å; F34-R64 HydrophobicContact CD2-CB 3.73Å; F34-R64 HydrophobicContact CE2-CB 3.47Å; F34-R64 VanDerWaalsContact CE2-CB 3.47Å; F34-R64 HydrophobicContact CZ-CB 4.27Å; S61-R64 WeakPolarHBondContact O-CB 3.49Å; S61-R64 PolarHBondContact O-N 3.4Å; S62-R64 PolarHBondContact O-N 2.89Å
65	L	80.1	Confident	78	Confident	15 Å²	15	60.9 Å²	60.9	8%	0.079	33%	0.334	C	S	.	.	S	Bend	trans	-84.8	136.6	174.4	-62.3	164	0	0	0	109.8	F34 L37 V38 S62 R63 V67 L88	F34-L65 HydrophobicContact CD2-CD2 4.34Å; F34-L65 HydrophobicContact CD2-CG 4.43Å; F34-L65 HydrophobicContact CE2-CD2 3.8Å; F34-L65 HydrophobicContact CE2-CG 4.09Å; L37-L65 HydrophobicContact CB-CD1 3.7Å; L37-L65 HydrophobicContact CB-CD2 4.46Å; L37-L65 HydrophobicContact CD1-CD1 3.8Å; L37-L65 HydrophobicContact CG-CD1 4.3Å; V38-L65 HydrophobicContact CG2-CD2 4Å; S62-L65 WeakPolarHBondContact O-CB 3.36Å; S62-L65 PolarHBondContact O-N 3.1Å; R63-L65 VanDerWaalsContact C-N 3.28Å; L65-V67 HydrophobicContact CB-CG2 4.23Å; L65-V67 PolarHBondContact O-N 3.37Å; L65-L88 HydrophobicContact CD1-CD1 4.4Å
66	N	79.8	Confident	78	Confident	172 Å²	172	59.8 Å²	59.8	92%	0.92	33%	0.333	S	S	*	.	S	Bend	trans	-81.6	58.1	175.6	-165.5	19.6	0	0	0	111
67	V	78.3	Confident	77.7	Confident	28 Å²	28	58.3 Å²	58.3	17%	0.17	32%	0.323	C	S	.	.	S	Bend	trans	-135.2	142.3	-174.7	-173.5	0	0	0	0	110.1	F46 L65 T69 L86	F46-V67 HydrophobicContact CD2-CG2 4.42Å; F46-V67 HydrophobicContact CE2-CG2 4.26Å; L65-V67 HydrophobicContact CB-CG2 4.23Å; L65-V67 PolarHBondContact O-N 3.37Å; V67-T69 PolarHBondContact O-N 2.91Å; V67-T69 VanDerWaalsContact O-N 3.14Å; V67-T69 PolarHBondContact O-OG1 3.21Å; V67-L86 WeakPolarHBondContact CG1-O 3.19Å
68	S	82.9	Confident	77.3	Confident	88 Å²	88	65.6 Å²	65.6	62%	0.615	36%	0.362	S	S	*	.			trans	-63.4	114.1	175.9	-60.4	0	0	0	0	110.5	L88	S68-L88 PolarHBondContact O-N 2.91Å
69	T	81.6	Confident	77	Confident	57 Å²	57	72.1 Å²	72.1	35%	0.35	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	127.3	-179.9	-59.1	0	0	0	0	110.3	V67 L88 L90	V67-T69 PolarHBondContact O-N 2.91Å; V67-T69 VanDerWaalsContact O-N 3.14Å; V67-T69 PolarHBondContact O-OG1 3.21Å; T69-L88 CarbonylContact C-O 3.21Å; T69-L88 VanDerWaalsContact CA-O 3.31Å; T69-L88 WeakPolarHBondContact CA-O 3.39Å; T69-L88 HydrophobicContact CG2-CD2 3.66Å; T69-L90 HydrophobicContact CG2-CB 4.19Å
70	V	81.9	Confident	76.7	Confident	71 Å²	71	72.1 Å²	72.1	43%	0.43	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122.6	175.9	178.6	0	0	0	0	108.5	V72 T87 L88 I89 L90	V70-V72 HydrophobicContact CG1-CG2 4.29Å; V70-T87 HydrophobicContact CB-CG2 4.31Å; V70-T87 HydrophobicContact CG2-CG2 3.59Å; V70-L88 PolarHBondContact N-O 3.22Å; V70-I89 WeakPolarHBondContact O-CA 3.42Å; V70-L90 PolarHBondContact O-N 3.35Å
71	L	80	Confident	76.6	Confident	100 Å²	100	71.8 Å²	71.8	52%	0.524	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	121.6	172.4	-175.8	72.8	0	0	0	109	L90	L71-L90 WeakPolarHBondContact CA-O 3.19Å; L71-L90 HydrophobicContact CD1-CB 4.4Å; L71-L90 HydrophobicContact CD1-CD2 3.43Å; L71-L90 VanDerWaalsContact CD1-CD2 3.43Å
72	V	76.9	Confident	76.2	Confident	18 Å²	18	78.6 Å²	78.6	11%	0.109	42%	0.422	C	S	.	.			trans	-106	115.9	175.3	178	0	0	0	0	108.3	V70 S74 W81 I89 L90	V70-V72 HydrophobicContact CG1-CG2 4.29Å; V72-S74 VanDerWaalsContact CG1-O 3.23Å; V72-S74 WeakPolarHBondContact CG1-O 3.38Å; V72-W81 HydrophobicContact CB-CH2 4.28Å; V72-W81 HydrophobicContact CG1-CH2 3.72Å; V72-W81 HydrophobicContact CG1-CZ2 3.86Å; V72-W81 HydrophobicContact CG2-CH2 3.76Å; V72-W81 HydrophobicContact CG2-CZ2 4.25Å; V72-W81 HydrophobicContact CG2-CZ3 4.09Å; V72-I89 HydrophobicContact CB-CG2 4.38Å; V72-I89 HydrophobicContact CG2-CG2 3.63Å; V72-L90 PolarHBondContact N-O 2.76Å
73	S	69.1	Low	76	Confident	99 Å²	99	81 Å²	81	69%	0.692	43%	0.433	S	S	*	.	S	Bend	trans	-101.2	-8.4	-179.5	55.2	0	0	0	0	114
74	S	66.4	Low	75.5	Confident	71 Å²	71	75.3 Å²	75.3	50%	0.497	42%	0.422	S	S	.	.			trans	-136.8	120.6	175.7	64.7	0	0	0	0	108.2	V72 S76	V72-S74 VanDerWaalsContact CG1-O 3.23Å; V72-S74 WeakPolarHBondContact CG1-O 3.38Å; S74-S76 PolarHBondContact O-N 2.91Å
75	G	64.5	Low	74.9	Confident	10 Å²	10	72.2 Å²	72.2	10%	0.103	42%	0.418	C	S	.	.	S	Bend	trans	-97.6	27.1	-177.2	0	0	0	0	0	115.9	E96 N98 E99	G75-E96 CarbonylContact C-O 3.31Å; G75-E96 WeakPolarHBondContact CA-O 3.43Å; G75-E96 PolarHBondContact N-O 3.18Å; G75-N98 CarbonylContact O-C 2.76Å; G75-N98 WeakPolarHBondContact O-CA 3.47Å; G75-N98 PolarHBondContact O-N 2.74Å; G75-E99 VanDerWaalsContact O-CA 3.31Å; G75-E99 WeakPolarHBondContact O-CA 3.39Å; G75-E99 PolarHBondContact O-N 3.01Å
76	S	70	Confident	74.7	Confident	61 Å²	61	75.4 Å²	75.4	43%	0.427	44%	0.435	S	S	.	.			trans	-128	139.7	153.1	70.9	0	0	0	0	109.8	S74 N98	S74-S76 PolarHBondContact O-N 2.91Å; S76-N98 VanDerWaalsContact CB-O 3.28Å; S76-N98 WeakPolarHBondContact CB-O 3.35Å
77	S	71	Confident	74.7	Confident	8 Å²	8	67.7 Å²	67.7	6%	0.056	39%	0.394	C	S	.	.			trans	-131.2	145.6	178.7	65.6	0	0	0	0	112.7	F79 W81 E99	S77-F79 PolarHBondContact O-N 3.43Å; S77-F79 PolarHBondContact OG-O 2.78Å; S77-W81 VanDerWaalsContact OG-CD1 3.31Å; S77-W81 PolarHBondContact OG-NE1 3.31Å; S77-E99 PolarHBondContact N-OE1 3.28Å; S77-E99 PolarHBondContact N-OE2 3.46Å; S77-E99 PolarHBondContact OG-OE2 2.68Å
78	N	70.3	Confident	75	Confident	164 Å²	164	66.4 Å²	66.4	88%	0.877	39%	0.386	S	S	*	.	S	Bend	trans	-86.2	8.4	176.5	-68.8	-11	0	0	0	112.5
79	F	76.6	Confident	75.1	Confident	139 Å²	139	62.5 Å²	62.5	61%	0.61	36%	0.358	S	S	*	.	S	Bend	trans	-137.4	154.4	-177.4	61.4	-94.7	0	0	0	110.8	S77 W81	S77-F79 PolarHBondContact O-N 3.43Å; S77-F79 PolarHBondContact OG-O 2.78Å; F79-W81 AromaticContact CE2-CD1 3.99Å; F79-W81 PolarHBondContact O-N 3.27Å
80	D	76.6	Confident	75.3	Confident	68 Å²	68	59.8 Å²	59.8	36%	0.364	34%	0.342	S	S	.	.			trans	-72.4	129.2	-179.8	-62	-10.3	0	0	0	110.4	N82 N101 H103	D80-N82 PolarHBondContact O-N 2.83Å; D80-N101 PolarHBondContact OD1-ND2 2.95Å; D80-N101 PolarHBondContact OD1-OD1 2.92Å; D80-H103 IonicContact OD1-CD2 2.98Å; D80-H103 IonicContact OD2-CD2 3.27Å; D80-H103 IonicContact OD2-CG 3.83Å
81	W	77.1	Confident	75.4	Confident	29 Å²	29	56.7 Å²	56.7	11%	0.11	32%	0.323	C	S	.	.			trans	-72.9	120	173.6	-68.8	16.7	0	0	0	109.4	V72 S77 F79 F83 I89 E99 T104 K107 L108	V72-W81 HydrophobicContact CB-CH2 4.28Å; V72-W81 HydrophobicContact CG1-CH2 3.72Å; V72-W81 HydrophobicContact CG1-CZ2 3.86Å; V72-W81 HydrophobicContact CG2-CH2 3.76Å; V72-W81 HydrophobicContact CG2-CZ2 4.25Å; V72-W81 HydrophobicContact CG2-CZ3 4.09Å; S77-W81 VanDerWaalsContact OG-CD1 3.31Å; S77-W81 PolarHBondContact OG-NE1 3.31Å; F79-W81 AromaticContact CE2-CD1 3.99Å; F79-W81 PolarHBondContact O-N 3.27Å; W81-F83 HydrophobicContact CB-CD1 3.6Å; W81-F83 HydrophobicContact CB-CE1 3.42Å; W81-F83 VanDerWaalsContact CB-CE1 3.42Å; W81-F83 HydrophobicContact CD2-CE1 4.29Å; W81-F83 HydrophobicContact CE3-CD1 4.08Å; W81-F83 AromaticContact CE3-CE1 3.69Å; W81-F83 HydrophobicContact CE3-CE1 3.69Å; W81-F83 HydrophobicContact CG-CD1 4.48Å; W81-F83 HydrophobicContact CG-CE1 4.26Å; W81-I89 HydrophobicContact CE3-CD1 3.95Å; W81-I89 HydrophobicContact CZ3-CD1 3.86Å; W81-I89 HydrophobicContact CZ3-CG2 4.12Å; W81-E99 PolarHBondContact NE1-OE2 2.87Å; W81-T104 HydrophobicContact CB-CG2 3.79Å; W81-T104 HydrophobicContact CD2-CG2 3.67Å; W81-T104 HydrophobicContact CE3-CG2 4.12Å; W81-T104 HydrophobicContact CG-CG2 3.52Å; W81-T104 PolarHBondContact N-OG1 2.9Å; W81-K107 PolarHBondContact O-NZ 2.95Å; W81-L108 HydrophobicContact CE3-CD1 4.35Å; W81-L108 HydrophobicContact CE3-CD2 4.22Å; W81-L108 HydrophobicContact CZ3-CD1 4.08Å; W81-L108 HydrophobicContact CZ3-CD2 4.2Å
82	N	73.4	Confident	75.3	Confident	145 Å²	145	53.2 Å²	53.2	78%	0.775	31%	0.307	S	S	*	.			trans	-110.2	86.8	172.1	-76.7	-24.8	0	0	0	108.5	D80 K107	D80-N82 PolarHBondContact O-N 2.83Å; N82-K107 PolarHBondContact OD1-NZ 2.85Å
83	F	73.9	Confident	75.2	Confident	52 Å²	52	53.5 Å²	53.5	23%	0.228	31%	0.31	C	S	.	.			trans	-105	147.4	171	43.8	-94.1	0	0	0	110	T48 W81 T87 I89 K107 L108	T48-F83 HydrophobicContact CG2-CD2 4.06Å; T48-F83 HydrophobicContact CG2-CE2 3.93Å; T48-F83 VanDerWaalsContact OG1-CD2 3.25Å; T48-F83 WeakPolarHBondContact OG1-CD2 3.42Å; T48-F83 WeakPolarHBondContact OG1-CE2 3.04Å; W81-F83 HydrophobicContact CB-CD1 3.6Å; W81-F83 HydrophobicContact CB-CE1 3.42Å; W81-F83 VanDerWaalsContact CB-CE1 3.42Å; W81-F83 HydrophobicContact CD2-CE1 4.29Å; W81-F83 HydrophobicContact CE3-CD1 4.08Å; W81-F83 AromaticContact CE3-CE1 3.69Å; W81-F83 HydrophobicContact CE3-CE1 3.69Å; W81-F83 HydrophobicContact CG-CD1 4.48Å; W81-F83 HydrophobicContact CG-CE1 4.26Å; F83-T87 HydrophobicContact CB-CG2 4.24Å; F83-I89 HydrophobicContact CD1-CD1 4Å; F83-I89 HydrophobicContact CE1-CD1 4.05Å; F83-I89 HydrophobicContact CG-CD1 4.28Å; F83-I89 HydrophobicContact CZ-CD1 4.32Å; F83-K107 HydrophobicContact CZ-CB 4.24Å; F83-L108 HydrophobicContact CE1-CD2 3.98Å; F83-L108 HydrophobicContact CZ-CD2 3.6Å; F83-L108 HydrophobicContact CZ-CG 4.48Å
84	S	71.9	Confident	75.1	Confident	67 Å²	67	50.3 Å²	50.3	47%	0.469	28%	0.284	S	S	.	.			trans	-64.3	151	166.7	166.5	0	0	0	0	108.9	L86 T87	S84-L86 PolarHBondContact O-N 2.98Å; S84-L86 VanDerWaalsContact O-N 3.09Å; S84-L86 PolarHBondContact OG-N 3.21Å; S84-L86 VanDerWaalsContact OG-N 3.11Å; S84-T87 PolarHBondContact N-OG1 2.98Å; S84-T87 WeakPolarHBondContact O-CB 3.33Å; S84-T87 PolarHBondContact O-N 3.02Å; S84-T87 VanDerWaalsContact O-N 3.14Å; S84-T87 PolarHBondContact O-OG1 3.49Å
85	S	70.2	Confident	75	Confident	54 Å²	54	54 Å²	54	38%	0.378	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-33.8	167.6	30.5	0	0	0	0	112.5	F46 D47 T48 T87	F46-S85 CarbonylContact C-O 3.59Å; F46-S85 VanDerWaalsContact C-O 3.31Å; F46-S85 CarbonylContact O-C 3.57Å; F46-S85 VanDerWaalsContact O-C 3.3Å; D47-S85 CarbonylContact C-O 3.54Å; D47-S85 WeakPolarHBondContact CA-O 3.47Å; D47-S85 PolarHBondContact N-O 2.7Å; D47-S85 WeakPolarHBondContact O-CA 3.46Å; D47-S85 VanDerWaalsContact O-O 3.1Å; D47-S85 WeakPolarHBondContact OD1-CB 3.42Å; T48-S85 PolarHBondContact N-O 3.5Å; S85-T87 PolarHBondContact O-N 2.9Å; S85-T87 VanDerWaalsContact O-N 3.08Å
86	L	75.5	Confident	74.8	Confident	82 Å²	82	56.5 Å²	56.5	43%	0.429	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	19	-176.7	-55.7	174.2	0	0	0	114.4	F45 F46 V67 S84	F45-L86 HydrophobicContact CD1-CD2 3.9Å; F45-L86 HydrophobicContact CE1-CD2 3.85Å; F46-L86 WeakPolarHBondContact O-CD2 3.25Å; V67-L86 WeakPolarHBondContact CG1-O 3.19Å; S84-L86 PolarHBondContact O-N 2.98Å; S84-L86 VanDerWaalsContact O-N 3.09Å; S84-L86 PolarHBondContact OG-N 3.21Å; S84-L86 VanDerWaalsContact OG-N 3.11Å
87	T	81	Confident	74.8	Confident	10 Å²	10	54 Å²	54	6%	0.061	28%	0.284	C	S	.	.			trans	-98.6	136.7	-173.2	-45.8	0	0	0	0	111.9	T48 L49 V70 F83 S84 S85	T48-T87 VanDerWaalsContact CA-O 3.27Å; T48-T87 WeakPolarHBondContact CA-O 3.4Å; T48-T87 WeakPolarHBondContact CG2-O 3.34Å; L49-T87 PolarHBondContact N-O 3.03Å; V70-T87 HydrophobicContact CB-CG2 4.31Å; V70-T87 HydrophobicContact CG2-CG2 3.59Å; F83-T87 HydrophobicContact CB-CG2 4.24Å; S84-T87 PolarHBondContact N-OG1 2.98Å; S84-T87 WeakPolarHBondContact O-CB 3.33Å; S84-T87 PolarHBondContact O-N 3.02Å; S84-T87 VanDerWaalsContact O-N 3.14Å; S84-T87 PolarHBondContact O-OG1 3.49Å; S85-T87 PolarHBondContact O-N 2.9Å; S85-T87 VanDerWaalsContact O-N 3.08Å
88	L	84.9	Confident	74.8	Confident	2 Å²	2	58.8 Å²	58.8	1%	0.01	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	126.5	169.8	-168.3	145.3	0	0	0	109.2	L49 L51 L65 S68 T69 V70 L90	L49-L88 HydrophobicContact CD2-CD1 4.38Å; L51-L88 HydrophobicContact CD1-CD1 4.01Å; L51-L88 HydrophobicContact CD1-CD2 3.76Å; L51-L88 HydrophobicContact CD1-CG 4.26Å; L51-L88 HydrophobicContact CG-CD1 4.48Å; L51-L88 HydrophobicContact CG-CD2 4.04Å; L51-L88 HydrophobicContact CG-CG 4.38Å; L65-L88 HydrophobicContact CD1-CD1 4.4Å; S68-L88 PolarHBondContact O-N 2.91Å; T69-L88 CarbonylContact C-O 3.21Å; T69-L88 VanDerWaalsContact CA-O 3.31Å; T69-L88 WeakPolarHBondContact CA-O 3.39Å; T69-L88 HydrophobicContact CG2-CD2 3.66Å; V70-L88 PolarHBondContact N-O 3.22Å; L88-L90 HydrophobicContact CD2-CB 4.22Å; L88-L90 HydrophobicContact CD2-CD1 4.41Å
89	I	84.1	Confident	75.1	Confident	5 Å²	5	51.7 Å²	51.7	3%	0.026	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	120.9	179.7	-60.7	178.3	0	0	0	107.6	T48 L49 L50 L51 V70 V72 W81 F83 L108	T48-I89 HydrophobicContact CG2-CD1 3.56Å; T48-I89 HydrophobicContact CG2-CG1 3.86Å; L49-I89 PolarHBondContact O-N 3.35Å; L50-I89 CarbonylContact C-O 3.26Å; L50-I89 VanDerWaalsContact CA-O 3.31Å; L50-I89 WeakPolarHBondContact CA-O 3.44Å; L50-I89 HydrophobicContact CG-CB 4.19Å; L51-I89 PolarHBondContact N-O 3.22Å; V70-I89 WeakPolarHBondContact O-CA 3.42Å; V72-I89 HydrophobicContact CB-CG2 4.38Å; V72-I89 HydrophobicContact CG2-CG2 3.63Å; W81-I89 HydrophobicContact CE3-CD1 3.95Å; W81-I89 HydrophobicContact CZ3-CD1 3.86Å; W81-I89 HydrophobicContact CZ3-CG2 4.12Å; F83-I89 HydrophobicContact CD1-CD1 4Å; F83-I89 HydrophobicContact CE1-CD1 4.05Å; F83-I89 HydrophobicContact CG-CD1 4.28Å; F83-I89 HydrophobicContact CZ-CD1 4.32Å; I89-L108 HydrophobicContact CD1-CD2 4.26Å
90	L	85.3	Confident	75	Confident	1 Å²	1	50 Å²	50	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	129.3	-177.7	-165.3	142.2	0	0	0	109.4	L51 F58 H59 T69 V70 L71 V72 L88	L51-L90 HydrophobicContact CB-CG 4.45Å; L51-L90 HydrophobicContact CD1-CD1 4.46Å; F58-L90 HydrophobicContact CB-CD1 3.7Å; F58-L90 HydrophobicContact CB-CG 4.47Å; H59-L90 HydrophobicContact CB-CD1 4.36Å; H59-L90 HydrophobicContact CB-CD2 4.31Å; T69-L90 HydrophobicContact CG2-CB 4.19Å; V70-L90 PolarHBondContact O-N 3.35Å; L71-L90 WeakPolarHBondContact CA-O 3.19Å; L71-L90 HydrophobicContact CD1-CB 4.4Å; L71-L90 HydrophobicContact CD1-CD2 3.43Å; L71-L90 VanDerWaalsContact CD1-CD2 3.43Å; V72-L90 PolarHBondContact N-O 2.76Å; L88-L90 HydrophobicContact CD2-CB 4.22Å; L88-L90 HydrophobicContact CD2-CD1 4.41Å
91	S	83.9	Confident	75.3	Confident	5 Å²	5	48 Å²	48	4%	0.035	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	140.6	172.7	166.3	0	0	0	0	109.6	L51 Y52 G53 S93 E96	L51-S91 PolarHBondContact O-N 3.21Å; Y52-S91 WeakPolarHBondContact CA-O 3.38Å; G53-S91 PolarHBondContact N-O 3.45Å; S91-S93 VanDerWaalsContact C-N 3.34Å; S91-S93 PolarHBondContact OG-O 3.42Å; S91-S93 VanDerWaalsContact OG-O 3.04Å; S91-E96 PolarHBondContact OG-OE2 3.41Å
92	C	79.3	Confident	75.2	Confident	28 Å²	28	48.3 Å²	48.3	19%	0.189	26%	0.262	C	S	.	.	S	Bend	trans	-94.8	7.1	-172.8	-56.4	0	0	0	0	113.3	G53 E54 C56	G53-C92 CarbonylContact O-C 3.3Å; G53-C92 WeakPolarHBondContact O-CA 3.11Å; G53-C92 VanDerWaalsContact O-O 3.07Å; E54-C92 VanDerWaalsContact CA-O 3.29Å; E54-C92 WeakPolarHBondContact CA-O 3.42Å; C56-C92 HydrophobicContact CB-CB 4.01Å; C56-C92 WeakPolarHBondContact CB-SG 3.5Å; C56-C92 WeakPolarHBondContact SG-CB 3.07Å; C56-C92 CovalentContact SG-SG 2.01Å; C56-C92 PolarHBondContact SG-SG 3.02Å
93	S	73.9	Confident	75.5	Confident	24 Å²	24	45.5 Å²	45.5	17%	0.168	24%	0.244	C	C	.	.			trans	-144.4	139.5	171.5	173.4	0	0	0	0	109.8	S91 E95 E96	S91-S93 VanDerWaalsContact C-N 3.34Å; S91-S93 PolarHBondContact OG-O 3.42Å; S91-S93 VanDerWaalsContact OG-O 3.04Å; S93-E95 VanDerWaalsContact C-N 3.26Å; S93-E95 PolarHBondContact O-N 2.87Å; S93-E95 PolarHBondContact OG-N 2.85Å; S93-E95 VanDerWaalsContact OG-N 3.16Å; S93-E96 VanDerWaalsContact CB-CD 3.47Å; S93-E96 WeakPolarHBondContact CB-OE1 3.48Å; S93-E96 PolarHBondContact O-N 2.98Å
94	H	66.9	Low	75.9	Confident	32 Å²	32	43 Å²	43	15%	0.148	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-16.9	176.1	69.3	-89.6	0	0	0	112.3	E54 R129	E54-H94 IonicContact OE1-CE1 3.46Å; E54-H94 PolarHBondContact OE1-CE1 2.85Å; E54-H94 IonicContact OE1-ND1 3.68Å; H94-R129 PolarHBondContact CD2-NH1 2.93Å; H94-R129 PolarHBondContact NE2-NH1 2.99Å
95	E	64.3	Low	76.3	Confident	148 Å²	148	42 Å²	42	69%	0.692	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-9.5	175.5	-62.5	-169.8	158.3	0	0	112.9	S93	S93-E95 VanDerWaalsContact C-N 3.26Å; S93-E95 PolarHBondContact O-N 2.87Å; S93-E95 PolarHBondContact OG-N 2.85Å; S93-E95 VanDerWaalsContact OG-N 3.16Å
96	E	61.6	Low	76.7	Confident	62 Å²	62	41.3 Å²	41.3	29%	0.29	22%	0.22	S	C	.	.			trans	-74	-33.7	-175.1	-84.4	166.9	-164.8	0	0	112.8	G75 S91 S93 N98	G75-E96 CarbonylContact C-O 3.31Å; G75-E96 WeakPolarHBondContact CA-O 3.43Å; G75-E96 PolarHBondContact N-O 3.18Å; S91-E96 PolarHBondContact OG-OE2 3.41Å; S93-E96 VanDerWaalsContact CB-CD 3.47Å; S93-E96 WeakPolarHBondContact CB-OE1 3.48Å; S93-E96 PolarHBondContact O-N 2.98Å; E96-N98 PolarHBondContact O-N 3.07Å
97	E	69.1	Low	77	Confident	10 Å²	10	41.2 Å²	41.2	5%	0.047	22%	0.216	C	C	.	.			trans	-69.9	91.3	-178.3	-165.5	-171.1	-177.3	0	0	112.1	Y52 R113 K133 Q135	Y52-E97 HydrophobicContact CE1-CB 3.87Å; Y52-E97 VanDerWaalsContact CZ-OE2 3.24Å; Y52-E97 WeakPolarHBondContact OH-CG 3.46Å; Y52-E97 PolarHBondContact OH-OE2 3.37Å; E97-R113 IonicContact OE1-CZ 3.01Å; E97-R113 IonicContact OE1-NE 3.52Å; E97-R113 PolarHBondContact OE1-NE 2.89Å; E97-R113 IonicContact OE1-NH2 2.79Å; E97-R113 PolarHBondContact OE1-NH2 2.95Å; E97-R113 IonicContact OE2-NE 3.36Å; E97-R113 PolarHBondContact OE2-NE 3.44Å; E97-K133 PolarHBondContact O-NZ 3.23Å; E97-Q135 PolarHBondContact OE1-NE2 2.98Å
98	N	71.2	Confident	77	Confident	108 Å²	108	40.8 Å²	40.8	58%	0.578	21%	0.214	S	C	*	.			trans	-133	51.5	178.1	-164	20	0	0	0	110.8	G75 S76 E96 T100	G75-N98 CarbonylContact O-C 2.76Å; G75-N98 WeakPolarHBondContact O-CA 3.47Å; G75-N98 PolarHBondContact O-N 2.74Å; S76-N98 VanDerWaalsContact CB-O 3.28Å; S76-N98 WeakPolarHBondContact CB-O 3.35Å; E96-N98 PolarHBondContact O-N 3.07Å; N98-T100 PolarHBondContact O-N 3.4Å
99	E	76.4	Confident	76.8	Confident	15 Å²	15	41.8 Å²	41.8	7%	0.07	22%	0.218	C	C	.	.			trans	-71.8	121.2	-172.1	-174.4	55.8	-91.8	0	0	110.2	G75 S77 W81 N101 T104	G75-E99 VanDerWaalsContact O-CA 3.31Å; G75-E99 WeakPolarHBondContact O-CA 3.39Å; G75-E99 PolarHBondContact O-N 3.01Å; S77-E99 PolarHBondContact N-OE1 3.28Å; S77-E99 PolarHBondContact N-OE2 3.46Å; S77-E99 PolarHBondContact OG-OE2 2.68Å; W81-E99 PolarHBondContact NE1-OE2 2.87Å; E99-N101 HydrophobicContact CG-CB 4.36Å; E99-N101 WeakPolarHBondContact OE1-CB 3.2Å; E99-N101 PolarHBondContact OE1-N 3.22Å; E99-T104 HydrophobicContact CG-CG2 3.67Å
100	T	75.3	Confident	76.7	Confident	103 Å²	103	46.9 Å²	46.9	63%	0.632	24%	0.237	S	C	*	.			trans	-97.5	-18.3	-179.7	55.3	0	0	0	0	111.9	N98 Y102	N98-T100 PolarHBondContact O-N 3.4Å; T100-Y102 PolarHBondContact O-N 2.7Å
101	N	81.8	Confident	76.7	Confident	27 Å²	27	47.7 Å²	47.7	14%	0.144	24%	0.242	C	C	.	.			trans	-71	122	175.9	-179	-51.7	0	0	0	110.4	D80 E99 H103 T104 L105	D80-N101 PolarHBondContact OD1-ND2 2.95Å; D80-N101 PolarHBondContact OD1-OD1 2.92Å; E99-N101 HydrophobicContact CG-CB 4.36Å; E99-N101 WeakPolarHBondContact OE1-CB 3.2Å; E99-N101 PolarHBondContact OE1-N 3.22Å; N101-H103 PolarHBondContact OD1-N 3.43Å; N101-T104 PolarHBondContact O-N 3.3Å; N101-T104 PolarHBondContact OD1-N 2.98Å; N101-T104 VanDerWaalsContact OD1-N 3.12Å; N101-L105 WeakPolarHBondContact O-CB 3.34Å; N101-L105 PolarHBondContact O-N 2.8Å
102	Y	75.9	Confident	76.9	Confident	35 Å²	35	48 Å²	48	14%	0.137	24%	0.242	C	C	.	.	H	α-helix	trans	-57.4	-51.4	179.9	167.2	-112.6	0	0	0	114.1	T100 T104 L105 A106 E268 R497 H498	T100-Y102 PolarHBondContact O-N 2.7Å; Y102-T104 VanDerWaalsContact C-N 3.25Å; Y102-T104 PolarHBondContact O-N 2.81Å; Y102-L105 PolarHBondContact O-N 3.19Å; Y102-L105 VanDerWaalsContact O-N 3.16Å; Y102-A106 HydrophobicContact CE2-CB 4.13Å; Y102-A106 WeakPolarHBondContact O-CB 3.34Å; Y102-A106 PolarHBondContact O-N 2.9Å; Y102-E268 HydrophobicContact CD1-CG 4.34Å; Y102-E268 HydrophobicContact CE1-CB 3.82Å; Y102-E268 VanDerWaalsContact CE1-CD 3.45Å; Y102-E268 HydrophobicContact CE1-CG 3.61Å; Y102-E268 WeakPolarHBondContact CE1-OE2 3.45Å; Y102-E268 PolarHBondContact OH-O 2.04Å; Y102-R497 HydrophobicContact CD2-CG 3.84Å; Y102-R497 HydrophobicContact CE2-CG 3.18Å; Y102-R497 VanDerWaalsContact CE2-NE 3.31Å; Y102-H498 AromaticContact CD2-NE2 3.34Å; Y102-H498 VanDerWaalsContact CD2-NE2 3.34Å; Y102-H498 WeakPolarHBondContact CD2-NE2 3.33Å; Y102-H498 AromaticContact CE2-NE2 3.65Å
103	H	78.8	Confident	77.4	Confident	86 Å²	86	46.7 Å²	46.7	40%	0.398	23%	0.233	S	C	.	.	H	α-helix	trans	-62.7	-38.1	-176	-69.1	-63.2	0	0	0	111.2	D80 N101 K107	D80-H103 IonicContact OD1-CD2 2.98Å; D80-H103 IonicContact OD2-CD2 3.27Å; D80-H103 IonicContact OD2-CG 3.83Å; N101-H103 PolarHBondContact OD1-N 3.43Å; H103-K107 WeakPolarHBondContact O-CD 3.24Å; H103-K107 VanDerWaalsContact O-CG 3.25Å; H103-K107 WeakPolarHBondContact O-CG 3.44Å; H103-K107 PolarHBondContact O-N 3.04Å
104	T	81.8	Confident	78.2	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-68.8	-46	173.8	-56.2	0	0	0	0	111	W81 E99 N101 Y102 A106 K107 L108	W81-T104 HydrophobicContact CB-CG2 3.79Å; W81-T104 HydrophobicContact CD2-CG2 3.67Å; W81-T104 HydrophobicContact CE3-CG2 4.12Å; W81-T104 HydrophobicContact CG-CG2 3.52Å; W81-T104 PolarHBondContact N-OG1 2.9Å; E99-T104 HydrophobicContact CG-CG2 3.67Å; N101-T104 PolarHBondContact O-N 3.3Å; N101-T104 PolarHBondContact OD1-N 2.98Å; N101-T104 VanDerWaalsContact OD1-N 3.12Å; Y102-T104 VanDerWaalsContact C-N 3.25Å; Y102-T104 PolarHBondContact O-N 2.81Å; T104-A106 PolarHBondContact O-N 3.14Å; T104-K107 WeakPolarHBondContact O-CB 3.36Å; T104-K107 PolarHBondContact O-N 2.9Å; T104-K107 VanDerWaalsContact O-N 3.13Å; T104-L108 HydrophobicContact CG2-CD1 3.71Å; T104-L108 HydrophobicContact CG2-CG 4.11Å; T104-L108 VanDerWaalsContact O-CG 3.28Å; T104-L108 WeakPolarHBondContact O-CG 3.41Å; T104-L108 PolarHBondContact O-N 2.85Å
105	L	80.9	Confident	79.3	Confident	46 Å²	46	44.2 Å²	44.2	24%	0.241	22%	0.219	C	C	.	.	H	α-helix	trans	-59.7	-45.4	179.7	-173.7	66.6	0	0	0	112.1	N101 Y102 K107 L108 Q109	N101-L105 WeakPolarHBondContact O-CB 3.34Å; N101-L105 PolarHBondContact O-N 2.8Å; Y102-L105 PolarHBondContact O-N 3.19Å; Y102-L105 VanDerWaalsContact O-N 3.16Å; L105-K107 VanDerWaalsContact C-N 3.31Å; L105-K107 PolarHBondContact O-N 2.96Å; L105-L108 PolarHBondContact O-N 2.64Å; L105-L108 VanDerWaalsContact O-N 3.14Å; L105-Q109 PolarHBondContact O-N 2.98Å
106	A	79.5	Confident	80.4	Confident	39 Å²	39	38.2 Å²	38.2	32%	0.322	19%	0.19	S	C	.	.	H	α-helix	trans	-60.9	-39.3	176	0	0	0	0	0	112.1	Y102 T104	Y102-A106 HydrophobicContact CE2-CB 4.13Å; Y102-A106 WeakPolarHBondContact O-CB 3.34Å; Y102-A106 PolarHBondContact O-N 2.9Å; T104-A106 PolarHBondContact O-N 3.14Å
107	K	80.4	Confident	81.6	Confident	80 Å²	80	35.6 Å²	35.6	35%	0.348	18%	0.178	S	C	.	.	H	α-helix	trans	-64.7	-42.2	173.1	-74.8	168.2	175	173.4	0	111.7	W81 N82 F83 H103 T104 L105 N111	W81-K107 PolarHBondContact O-NZ 2.95Å; N82-K107 PolarHBondContact OD1-NZ 2.85Å; F83-K107 HydrophobicContact CZ-CB 4.24Å; H103-K107 WeakPolarHBondContact O-CD 3.24Å; H103-K107 VanDerWaalsContact O-CG 3.25Å; H103-K107 WeakPolarHBondContact O-CG 3.44Å; H103-K107 PolarHBondContact O-N 3.04Å; T104-K107 WeakPolarHBondContact O-CB 3.36Å; T104-K107 PolarHBondContact O-N 2.9Å; T104-K107 VanDerWaalsContact O-N 3.13Å; L105-K107 VanDerWaalsContact C-N 3.31Å; L105-K107 PolarHBondContact O-N 2.96Å; K107-N111 PolarHBondContact O-OD1 3.42Å
108	L	81.1	Confident	82.1	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-79.2	-18.3	-176	-62.2	174.2	0	0	0	113.6	L50 W81 F83 I89 T104 L105 R110 N111 R113	L50-L108 HydrophobicContact CD2-CD2 4.11Å; W81-L108 HydrophobicContact CE3-CD1 4.35Å; W81-L108 HydrophobicContact CE3-CD2 4.22Å; W81-L108 HydrophobicContact CZ3-CD1 4.08Å; W81-L108 HydrophobicContact CZ3-CD2 4.2Å; F83-L108 HydrophobicContact CE1-CD2 3.98Å; F83-L108 HydrophobicContact CZ-CD2 3.6Å; F83-L108 HydrophobicContact CZ-CG 4.48Å; I89-L108 HydrophobicContact CD1-CD2 4.26Å; T104-L108 HydrophobicContact CG2-CD1 3.71Å; T104-L108 HydrophobicContact CG2-CG 4.11Å; T104-L108 VanDerWaalsContact O-CG 3.28Å; T104-L108 WeakPolarHBondContact O-CG 3.41Å; T104-L108 PolarHBondContact O-N 2.85Å; L105-L108 PolarHBondContact O-N 2.64Å; L105-L108 VanDerWaalsContact O-N 3.14Å; L108-R110 VanDerWaalsContact C-N 3.29Å; L108-R110 PolarHBondContact O-N 2.97Å; L108-N111 PolarHBondContact O-N 2.87Å; L108-N111 VanDerWaalsContact O-N 3.11Å; L108-R113 PolarHBondContact O-NH1 3.41Å; L108-R113 PolarHBondContact O-NH2 3.26Å
109	Q	82.1	Confident	82.4	Confident	23 Å²	23	37.5 Å²	37.5	11%	0.107	19%	0.193	C	C	.	.	H	α-helix	trans	-57.9	-40.2	-174.5	-168.1	173.9	18.9	0	0	112.5	L105 E134 H498	L105-Q109 PolarHBondContact O-N 2.98Å; Q109-E134 WeakPolarHBondContact CG-O 3.26Å; Q109-E134 PolarHBondContact NE2-O 2.77Å; Q109-H498 PolarHBondContact NE2-O 3.41Å
110	R	80.8	Confident	82.3	Confident	111 Å²	111	45 Å²	45	42%	0.419	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-17.3	179.8	-171.5	173.2	175.1	-124.6	-5.2	113.5	L108 N137 E176 H503	L108-R110 VanDerWaalsContact C-N 3.29Å; L108-R110 PolarHBondContact O-N 2.97Å; R110-N137 PolarHBondContact O-ND2 3.01Å; R110-E176 IonicContact NE-OE2 3.72Å; R110-H503 PolarHBondContact NE-NE2 2.85Å
111	N	85.7	Confident	82.6	Confident	19 Å²	19	43.1 Å²	43.1	10%	0.102	22%	0.219	C	C	.	.	S	Bend	trans	-70.6	149.2	-167.9	-64	15.4	0	0	0	112.6	T48 L50 K107 L108 R113	T48-N111 WeakPolarHBondContact CB-ND2 3.36Å; T48-N111 VanDerWaalsContact CG2-ND2 3.27Å; T48-N111 WeakPolarHBondContact CG2-ND2 3.39Å; L50-N111 HydrophobicContact CD1-CB 3.19Å; K107-N111 PolarHBondContact O-OD1 3.42Å; L108-N111 PolarHBondContact O-N 2.87Å; L108-N111 VanDerWaalsContact O-N 3.11Å; N111-R113 PolarHBondContact O-NH1 2.86Å
112	R	89.1	Confident	82.8	Confident	12 Å²	12	48.4 Å²	48.4	5%	0.045	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	130.6	179.4	-65.2	-178.8	-76.3	168	-9.7	109.8	L40 E44 L49 L50 F174	L40-R112 PolarHBondContact O-NH1 2.86Å; L40-R112 VanDerWaalsContact O-NH1 3.12Å; E44-R112 PolarHBondContact O-NH2 3.34Å; E44-R112 IonicContact OE2-CZ 3.64Å; E44-R112 IonicContact OE2-NE 3.93Å; E44-R112 IonicContact OE2-NH2 3.97Å; L49-R112 HydrophobicContact CD1-CB 3.7Å; L50-R112 PolarHBondContact N-O 3.16Å; R112-F174 HydrophobicContact CB-CD1 3.93Å; R112-F174 HydrophobicContact CB-CD2 4.09Å; R112-F174 HydrophobicContact CB-CE1 3.87Å; R112-F174 HydrophobicContact CB-CE2 4.02Å; R112-F174 HydrophobicContact CB-CG 4.03Å; R112-F174 HydrophobicContact CB-CZ 3.91Å; R112-F174 HydrophobicContact CG-CB 3.97Å; R112-F174 HydrophobicContact CG-CD1 3.85Å; R112-F174 HydrophobicContact CG-CD2 3.97Å; R112-F174 HydrophobicContact CG-CE1 4.32Å; R112-F174 HydrophobicContact CG-CE2 4.42Å; R112-F174 HydrophobicContact CG-CG 3.65Å
113	R	89.1	Confident	83.3	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	124.1	178.9	-64.3	176.7	173	67.4	2.9	110.3	L50 Y52 E97 L108 N111 Q135 N137 V138 A139 F174	L50-R113 HydrophobicContact CB-CG 4.19Å; L50-R113 HydrophobicContact CD1-CG 4.5Å; L50-R113 WeakPolarHBondContact O-CA 3.28Å; Y52-R113 HydrophobicContact CE2-CG 4.18Å; E97-R113 IonicContact OE1-CZ 3.01Å; E97-R113 IonicContact OE1-NE 3.52Å; E97-R113 PolarHBondContact OE1-NE 2.89Å; E97-R113 IonicContact OE1-NH2 2.79Å; E97-R113 PolarHBondContact OE1-NH2 2.95Å; E97-R113 IonicContact OE2-NE 3.36Å; E97-R113 PolarHBondContact OE2-NE 3.44Å; L108-R113 PolarHBondContact O-NH1 3.41Å; L108-R113 PolarHBondContact O-NH2 3.26Å; N111-R113 PolarHBondContact O-NH1 2.86Å; R113-Q135 VanDerWaalsContact NH2-NE2 3.11Å; R113-N137 PolarHBondContact N-O 3.12Å; R113-V138 HydrophobicContact CB-CG2 4.26Å; R113-V138 WeakPolarHBondContact O-CA 3.4Å; R113-A139 PolarHBondContact O-N 3.49Å; R113-F174 WeakPolarHBondContact O-CE1 3.42Å; R113-F174 WeakPolarHBondContact O-CZ 3.31Å
114	L	90.1	Very high	83.7	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	120.3	170.7	-175.8	67.3	0	0	0	108.9	L36 L37 L40 L50 L51 Y52 F58 A139 I141	L36-L114 HydrophobicContact CD2-CD1 4.32Å; L36-L114 HydrophobicContact CD2-CD2 3.88Å; L37-L114 HydrophobicContact CD2-CD2 4.35Å; L40-L114 HydrophobicContact CD1-CD2 4.26Å; L50-L114 PolarHBondContact O-N 2.89Å; L51-L114 HydrophobicContact CD2-CB 3.69Å; L51-L114 HydrophobicContact CD2-CD2 3.95Å; L51-L114 HydrophobicContact CD2-CG 4.35Å; Y52-L114 PolarHBondContact N-O 3.13Å; F58-L114 HydrophobicContact CE1-CD2 3.79Å; F58-L114 HydrophobicContact CE1-CG 4.4Å; F58-L114 HydrophobicContact CZ-CD2 4Å; F58-L114 HydrophobicContact CZ-CG 4.09Å; L114-A139 CarbonylContact C-O 3.44Å; L114-A139 WeakPolarHBondContact CA-O 3.45Å; L114-A139 HydrophobicContact CD1-CB 4.1Å; L114-I141 HydrophobicContact CD1-CG2 4.17Å
115	V	89.7	Confident	84	Confident	4 Å²	4	48.6 Å²	48.6	2%	0.024	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	127.4	-176.2	-171.9	0	0	0	0	110	Y52 L117 V126 Y130 V138 A139 T140 I141	Y52-V115 HydrophobicContact CD2-CG2 4.32Å; Y52-V115 CarbonylContact O-C 3.45Å; Y52-V115 WeakPolarHBondContact O-CA 3.38Å; V115-L117 HydrophobicContact CG1-CD2 4.19Å; V115-V126 HydrophobicContact CB-CG1 4.36Å; V115-V126 HydrophobicContact CG1-CG1 4.34Å; V115-V126 HydrophobicContact CG2-CG1 4.23Å; V115-Y130 HydrophobicContact CG2-CE2 3.89Å; V115-V138 HydrophobicContact CG2-CG1 4.37Å; V115-A139 PolarHBondContact N-O 3.09Å; V115-T140 HydrophobicContact CB-CG2 4.16Å; V115-T140 CarbonylContact O-C 3.57Å; V115-T140 WeakPolarHBondContact O-CA 3.48Å; V115-I141 PolarHBondContact O-N 3.45Å
116	Y	88.2	Confident	84.4	Confident	21 Å²	21	46.8 Å²	46.8	8%	0.082	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	123.2	171.4	-179.5	-101.1	0	0	0	110.1	L29 Y52 V57 R118 I141	L29-Y116 HydrophobicContact CD2-CE2 4.34Å; Y52-Y116 PolarHBondContact O-N 2.85Å; V57-Y116 HydrophobicContact CB-CD1 4.47Å; V57-Y116 HydrophobicContact CG2-CD1 3.88Å; V57-Y116 HydrophobicContact CG2-CE1 3.81Å; Y116-R118 HydrophobicContact CE1-CB 4.5Å; Y116-I141 HydrophobicContact CD2-CD1 3.8Å; Y116-I141 HydrophobicContact CD2-CG1 3.87Å
117	L	86.3	Confident	84.8	Confident	8 Å²	8	45.6 Å²	45.6	4%	0.042	23%	0.232	C	C	.	.			trans	-96.2	133.8	-179.7	-51.7	179.2	0	0	0	109.9	V115 I121 P123 V126 T140 I141 E143	V115-L117 HydrophobicContact CG1-CD2 4.19Å; L117-I121 HydrophobicContact CD2-CG2 4.22Å; L117-P123 HydrophobicContact CD1-CB 4.16Å; L117-P123 HydrophobicContact CD1-CG 3.72Å; L117-V126 HydrophobicContact CD2-CB 4.41Å; L117-V126 HydrophobicContact CD2-CG2 3.52Å; L117-T140 HydrophobicContact CD1-CG2 4.46Å; L117-T140 HydrophobicContact CD2-CG2 4.32Å; L117-I141 PolarHBondContact N-O 2.9Å; L117-E143 PolarHBondContact O-N 3.47Å
118	R	79.9	Confident	85.2	Confident	107 Å²	107	46.4 Å²	46.4	40%	0.404	24%	0.237	S	C	.	.			trans	-122.6	141	176.2	-163.2	178.8	-169.6	170.2	6.7	110.3	D55 Y116 I121	D55-R118 IonicContact OD2-CZ 3.55Å; D55-R118 IonicContact OD2-NH1 3.94Å; D55-R118 PolarHBondContact OD2-NH1 2.92Å; D55-R118 IonicContact OD2-NH2 3.73Å; Y116-R118 HydrophobicContact CE1-CB 4.5Å; R118-I121 WeakPolarHBondContact O-CD1 3.46Å
119	G	76.7	Confident	85.5	Confident	51 Å²	51	51 Å²	51	53%	0.526	25%	0.254	S	S	.	.	S	Bend	trans	68.6	-155.3	-177.2	0	0	0	0	0	113.7	I121 E143	G119-I121 PolarHBondContact O-N 3.18Å; G119-E143 PolarHBondContact N-OE2 3.42Å
120	D	75.1	Confident	85.8	Confident	173 Å²	173	50.2 Å²	50.2	93%	0.925	25%	0.25	S	S	*	.	S	Bend	trans	-79.4	24	-172.9	-64.6	-33.9	0	0	0	114.4	Q122	D120-Q122 PolarHBondContact O-N 3.44Å
121	I	82	Confident	86.1	Confident	62 Å²	62	47.7 Å²	47.7	32%	0.318	25%	0.245	S	C	.	.			trans	-74.4	117	179.5	-58.6	174.6	0	0	0	109.4	L117 R118 G119 V126	L117-I121 HydrophobicContact CD2-CG2 4.22Å; R118-I121 WeakPolarHBondContact O-CD1 3.46Å; G119-I121 PolarHBondContact O-N 3.18Å; I121-V126 HydrophobicContact CG2-CG2 4.02Å
122	Q	85.8	Confident	86.2	Confident	138 Å²	138	54.8 Å²	54.8	65%	0.645	28%	0.277	S	S	*	.			trans	-75.3	136.1	176.8	-66.1	-170.2	-13.5	0	0	111.4	D120 Q124 S125	D120-Q122 PolarHBondContact O-N 3.44Å; Q122-Q124 PolarHBondContact O-N 2.95Å; Q122-Q124 VanDerWaalsContact O-N 3.09Å; Q122-S125 WeakPolarHBondContact O-CB 3.31Å; Q122-S125 PolarHBondContact O-N 3.06Å; Q122-S125 PolarHBondContact O-OG 2.76Å
123	P	86.6	Confident	85.9	Confident	26 Å²	26	58.2 Å²	58.2	17%	0.169	29%	0.293	C	S	.	.	H	α-helix	trans	-50.1	-36	175	-29.9	35.1	0	0	0	114.1	L117 S125 V126 C127 Y152 I162	L117-P123 HydrophobicContact CD1-CB 4.16Å; L117-P123 HydrophobicContact CD1-CG 3.72Å; P123-S125 VanDerWaalsContact C-N 3.33Å; P123-S125 PolarHBondContact O-N 3.21Å; P123-V126 PolarHBondContact O-N 3.01Å; P123-V126 VanDerWaalsContact O-N 3.13Å; P123-C127 PolarHBondContact O-N 2.79Å; P123-Y152 HydrophobicContact CB-CG 4.15Å; P123-Y152 HydrophobicContact CG-CD1 4.23Å; P123-Y152 HydrophobicContact CG-CD2 3.93Å; P123-Y152 HydrophobicContact CG-CE2 4.35Å; P123-Y152 HydrophobicContact CG-CG 3.87Å; P123-I162 HydrophobicContact CB-CD1 4.07Å
124	Q	87.3	Confident	85.8	Confident	56 Å²	56	60.4 Å²	60.4	26%	0.262	30%	0.303	S	S	.	.	H	α-helix	trans	-57.5	-42.3	177.8	-174.1	68.9	16.9	0	0	112.8	Q122 V126 C127 E128 I162	Q122-Q124 PolarHBondContact O-N 2.95Å; Q122-Q124 VanDerWaalsContact O-N 3.09Å; Q124-V126 PolarHBondContact O-N 3.05Å; Q124-C127 PolarHBondContact O-N 2.79Å; Q124-E128 WeakPolarHBondContact CG-OE1 3.33Å; Q124-E128 PolarHBondContact NE2-OE1 3.26Å; Q124-E128 WeakPolarHBondContact O-CB 3.36Å; Q124-E128 WeakPolarHBondContact O-CG 3.28Å; Q124-E128 PolarHBondContact O-N 2.79Å; Q124-I162 HydrophobicContact CB-CD1 3.87Å
125	S	88.4	Confident	85.7	Confident	44 Å²	44	60.7 Å²	60.7	31%	0.308	30%	0.304	S	S	.	.	H	α-helix	trans	-64	-31.5	179.6	71	0	0	0	0	112.5	Q122 P123 R129	Q122-S125 WeakPolarHBondContact O-CB 3.31Å; Q122-S125 PolarHBondContact O-N 3.06Å; Q122-S125 PolarHBondContact O-OG 2.76Å; P123-S125 VanDerWaalsContact C-N 3.33Å; P123-S125 PolarHBondContact O-N 3.21Å; S125-R129 WeakPolarHBondContact O-CB 3.26Å; S125-R129 PolarHBondContact O-N 3.14Å
126	V	87.7	Confident	85.6	Confident	8 Å²	8	62 Å²	62	5%	0.048	31%	0.309	C	S	.	.	H	α-helix	trans	-75.4	-46.2	176.8	178	0	0	0	0	110.4	V115 L117 I121 P123 Q124 E128 R129 Y130 V138 T140	V115-V126 HydrophobicContact CB-CG1 4.36Å; V115-V126 HydrophobicContact CG1-CG1 4.34Å; V115-V126 HydrophobicContact CG2-CG1 4.23Å; L117-V126 HydrophobicContact CD2-CB 4.41Å; L117-V126 HydrophobicContact CD2-CG2 3.52Å; I121-V126 HydrophobicContact CG2-CG2 4.02Å; P123-V126 PolarHBondContact O-N 3.01Å; P123-V126 VanDerWaalsContact O-N 3.13Å; Q124-V126 PolarHBondContact O-N 3.05Å; V126-E128 VanDerWaalsContact C-N 3.28Å; V126-E128 PolarHBondContact O-N 3.25Å; V126-R129 PolarHBondContact O-N 3.41Å; V126-Y130 HydrophobicContact CG1-CD2 3.63Å; V126-Y130 HydrophobicContact CG1-CE2 3.7Å; V126-Y130 VanDerWaalsContact O-CD2 3.31Å; V126-Y130 WeakPolarHBondContact O-CD2 3.49Å; V126-Y130 PolarHBondContact O-N 3.21Å; V126-V138 HydrophobicContact CG1-CG1 4.44Å; V126-T140 HydrophobicContact CB-CG2 4.07Å; V126-T140 HydrophobicContact CG1-CG2 3.75Å
127	C	89.1	Confident	85.7	Confident	13 Å²	13	61.9 Å²	61.9	9%	0.088	31%	0.31	C	S	.	.	H	α-helix	trans	-56	-43.6	173.7	-63.8	0	0	0	0	111.7	P123 Q124 L131 C154	P123-C127 PolarHBondContact O-N 2.79Å; Q124-C127 PolarHBondContact O-N 2.79Å; C127-L131 WeakPolarHBondContact O-CB 3.46Å; C127-L131 PolarHBondContact O-N 3.4Å; C127-C154 WeakPolarHBondContact CA-SG 3.27Å; C127-C154 HydrophobicContact CB-CB 3.84Å; C127-C154 WeakPolarHBondContact CB-SG 3.36Å; C127-C154 WeakPolarHBondContact SG-CB 3.43Å; C127-C154 CovalentContact SG-SG 2.04Å; C127-C154 PolarHBondContact SG-SG 3.36Å
128	E	88.6	Confident	86	Confident	97 Å²	97	61.8 Å²	61.8	45%	0.453	31%	0.309	S	S	.	.	H	α-helix	trans	-66.2	-40.5	178	-75	173.9	-168.3	0	0	112.9	Q124 V126 L131 Q132	Q124-E128 WeakPolarHBondContact CG-OE1 3.33Å; Q124-E128 PolarHBondContact NE2-OE1 3.26Å; Q124-E128 WeakPolarHBondContact O-CB 3.36Å; Q124-E128 WeakPolarHBondContact O-CG 3.28Å; Q124-E128 PolarHBondContact O-N 2.79Å; V126-E128 VanDerWaalsContact C-N 3.28Å; V126-E128 PolarHBondContact O-N 3.25Å; E128-L131 WeakPolarHBondContact O-CB 3.37Å; E128-L131 PolarHBondContact O-N 2.79Å; E128-Q132 WeakPolarHBondContact O-CG 3.33Å; E128-Q132 PolarHBondContact O-N 3.16Å
129	R	88.1	Confident	86.5	Confident	98 Å²	98	56.7 Å²	56.7	37%	0.37	29%	0.29	S	S	.	.	H	α-helix	trans	-62.8	-46	177.3	-174.5	-175.2	-59.4	178.4	2	112.1	H94 S125 V126 L131 Q132 K133	H94-R129 PolarHBondContact CD2-NH1 2.93Å; H94-R129 PolarHBondContact NE2-NH1 2.99Å; S125-R129 WeakPolarHBondContact O-CB 3.26Å; S125-R129 PolarHBondContact O-N 3.14Å; V126-R129 PolarHBondContact O-N 3.41Å; R129-L131 VanDerWaalsContact C-N 3.33Å; R129-Q132 PolarHBondContact O-N 2.9Å; R129-K133 PolarHBondContact O-N 3.23Å
130	Y	87.3	Confident	87.3	Confident	6 Å²	6	54.2 Å²	54.2	2%	0.024	27%	0.265	C	S	.	.	H	α-helix	trans	-71.7	-30.6	178	-81.2	-75.5	0	0	0	112.3	V115 V126 Q132 K133 E134 Q135 V138	V115-Y130 HydrophobicContact CG2-CE2 3.89Å; V126-Y130 HydrophobicContact CG1-CD2 3.63Å; V126-Y130 HydrophobicContact CG1-CE2 3.7Å; V126-Y130 VanDerWaalsContact O-CD2 3.31Å; V126-Y130 WeakPolarHBondContact O-CD2 3.49Å; V126-Y130 PolarHBondContact O-N 3.21Å; Y130-Q132 VanDerWaalsContact C-N 3.35Å; Y130-Q132 PolarHBondContact O-N 3.49Å; Y130-K133 CarbonylContact O-C 3.54Å; Y130-K133 WeakPolarHBondContact O-CA 3.39Å; Y130-K133 PolarHBondContact O-N 3.05Å; Y130-K133 VanDerWaalsContact O-N 3.1Å; Y130-E134 PolarHBondContact O-N 3.22Å; Y130-Q135 CarbonylContact C-O 3.55Å; Y130-Q135 HydrophobicContact CD1-CB 4.1Å; Y130-Q135 PolarHBondContact O-N 3.05Å; Y130-V138 HydrophobicContact CD1-CG2 4.21Å; Y130-V138 HydrophobicContact CD2-CG1 3.99Å; Y130-V138 HydrophobicContact CD2-CG2 4.24Å; Y130-V138 HydrophobicContact CE2-CG1 4.48Å; Y130-V138 HydrophobicContact CG-CG1 4.39Å; Y130-V138 HydrophobicContact CG-CG2 3.79Å
131	L	87.9	Confident	88	Confident	58 Å²	58	46 Å²	46	30%	0.304	22%	0.221	S	C	.	.	H	α-helix	trans	-62	-40.9	171.5	177.8	60	0	0	0	112.1	C127 E128 R129 K133 E134 Y136 H156	C127-L131 WeakPolarHBondContact O-CB 3.46Å; C127-L131 PolarHBondContact O-N 3.4Å; E128-L131 WeakPolarHBondContact O-CB 3.37Å; E128-L131 PolarHBondContact O-N 2.79Å; R129-L131 VanDerWaalsContact C-N 3.33Å; L131-K133 PolarHBondContact O-N 2.92Å; L131-E134 PolarHBondContact O-N 3.42Å; L131-Y136 HydrophobicContact CD1-CD1 3.99Å; L131-Y136 HydrophobicContact CD1-CE1 3.45Å; L131-Y136 VanDerWaalsContact CD1-CE1 3.45Å; L131-H156 WeakPolarHBondContact CD1-CE1 3.25Å; L131-H156 VanDerWaalsContact CD1-ND1 3.28Å; L131-H156 WeakPolarHBondContact CD1-ND1 3.42Å
132	Q	86.9	Confident	88.3	Confident	168 Å²	168	44 Å²	44	79%	0.785	21%	0.213	S	C	*	.	H	α-helix	trans	-62.4	-25.2	174.2	-71.4	175.2	-0.5	0	0	113	E128 R129 Y130 E134	E128-Q132 WeakPolarHBondContact O-CG 3.33Å; E128-Q132 PolarHBondContact O-N 3.16Å; R129-Q132 PolarHBondContact O-N 2.9Å; Y130-Q132 VanDerWaalsContact C-N 3.35Å; Y130-Q132 PolarHBondContact O-N 3.49Å; Q132-E134 VanDerWaalsContact C-N 3.34Å
133	K	84.3	Confident	88.2	Confident	85 Å²	85	42.2 Å²	42.2	37%	0.37	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	5.4	173.6	-63.4	-175.8	176.6	-176.1	0	113.2	E97 R129 Y130 L131 Q135	E97-K133 PolarHBondContact O-NZ 3.23Å; R129-K133 PolarHBondContact O-N 3.23Å; Y130-K133 CarbonylContact O-C 3.54Å; Y130-K133 WeakPolarHBondContact O-CA 3.39Å; Y130-K133 PolarHBondContact O-N 3.05Å; Y130-K133 VanDerWaalsContact O-N 3.1Å; L131-K133 PolarHBondContact O-N 2.92Å; K133-Q135 HydrophobicContact CB-CG 4.26Å; K133-Q135 PolarHBondContact O-N 2.77Å
134	E	86.2	Confident	88.1	Confident	46 Å²	46	44.6 Å²	44.6	22%	0.215	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	37	-175.9	-53.5	-170	146	0	0	113.9	Q109 Y130 L131 Q132 Y136 R496	Q109-E134 WeakPolarHBondContact CG-O 3.26Å; Q109-E134 PolarHBondContact NE2-O 2.77Å; Y130-E134 PolarHBondContact O-N 3.22Å; L131-E134 PolarHBondContact O-N 3.42Å; Q132-E134 VanDerWaalsContact C-N 3.34Å; E134-Y136 HydrophobicContact CB-CE2 3.93Å; E134-Y136 WeakPolarHBondContact O-CD2 3.13Å; E134-Y136 WeakPolarHBondContact O-CE2 3.44Å; E134-R496 IonicContact OE1-CZ 3.99Å; E134-R496 IonicContact OE1-NH1 3.87Å; E134-R496 PolarHBondContact OE1-NH1 3.31Å; E134-R496 IonicContact OE1-NH2 2.81Å; E134-R496 PolarHBondContact OE1-NH2 3.41Å; E134-R496 IonicContact OE2-CZ 3.75Å; E134-R496 IonicContact OE2-NH1 3.88Å; E134-R496 IonicContact OE2-NH2 2.74Å; E134-R496 PolarHBondContact OE2-NH2 3.3Å
135	Q	87.2	Confident	88	Confident	6 Å²	6	41.9 Å²	41.9	3%	0.028	20%	0.204	C	C	.	.			trans	-111.7	104.9	177.9	-69.6	171	-15.7	0	0	108.5	E97 R113 Y130 K133	E97-Q135 PolarHBondContact OE1-NE2 2.98Å; R113-Q135 VanDerWaalsContact NH2-NE2 3.11Å; Y130-Q135 CarbonylContact C-O 3.55Å; Y130-Q135 HydrophobicContact CD1-CB 4.1Å; Y130-Q135 PolarHBondContact O-N 3.05Å; K133-Q135 HydrophobicContact CB-CG 4.26Å; K133-Q135 PolarHBondContact O-N 2.77Å
136	Y	88.6	Confident	87.8	Confident	32 Å²	32	41.8 Å²	41.8	13%	0.125	20%	0.2	C	C	.	.			trans	-97.7	-20.7	-166.2	-57.7	-90.3	0	0	0	113.8	L131 E134 V138 H156 Q177 F178 P500	L131-Y136 HydrophobicContact CD1-CD1 3.99Å; L131-Y136 HydrophobicContact CD1-CE1 3.45Å; L131-Y136 VanDerWaalsContact CD1-CE1 3.45Å; E134-Y136 HydrophobicContact CB-CE2 3.93Å; E134-Y136 WeakPolarHBondContact O-CD2 3.13Å; E134-Y136 WeakPolarHBondContact O-CE2 3.44Å; Y136-V138 PolarHBondContact O-N 2.75Å; Y136-V138 VanDerWaalsContact O-N 3.14Å; Y136-H156 HydrophobicContact CD1-CB 4.01Å; Y136-H156 AromaticContact CD1-CD2 3.88Å; Y136-H156 AromaticContact CD1-CG 3.77Å; Y136-H156 AromaticContact CE1-CD2 3.72Å; Y136-H156 AromaticContact CE1-CG 3.9Å; Y136-H156 AromaticContact CE1-NE2 3.85Å; Y136-Q177 PolarHBondContact O-NE2 2.86Å; Y136-F178 HydrophobicContact CD1-CE2 4.16Å; Y136-F178 AromaticContact CD1-CZ 3.93Å; Y136-F178 HydrophobicContact CD1-CZ 3.93Å; Y136-F178 AromaticContact CD2-CE2 3.56Å; Y136-F178 HydrophobicContact CD2-CE2 3.56Å; Y136-F178 AromaticContact CD2-CZ 3.72Å; Y136-F178 HydrophobicContact CD2-CZ 3.72Å; Y136-F178 AromaticContact CE1-CZ 3.86Å; Y136-F178 HydrophobicContact CE1-CZ 3.86Å; Y136-F178 AromaticContact CE2-CE2 3.99Å; Y136-F178 HydrophobicContact CE2-CE2 3.99Å; Y136-F178 AromaticContact CE2-CZ 3.68Å; Y136-F178 HydrophobicContact CE2-CZ 3.68Å; Y136-F178 AromaticContact CG-CE2 3.67Å; Y136-F178 HydrophobicContact CG-CE2 3.67Å; Y136-F178 AromaticContact CG-CZ 3.86Å; Y136-F178 HydrophobicContact CG-CZ 3.86Å; Y136-F178 AromaticContact CZ-CZ 3.74Å; Y136-P500 HydrophobicContact CD2-CB 3.79Å; Y136-P500 HydrophobicContact CD2-CG 4.27Å; Y136-P500 HydrophobicContact CE2-CB 3.39Å; Y136-P500 HydrophobicContact CE2-CG 3.36Å
137	N	90.3	Very high	87.6	Confident	18 Å²	18	49.4 Å²	49.4	10%	0.096	23%	0.232	C	C	.	.			trans	-91.3	74.5	-175.7	-69.3	-23.6	0	0	0	111.2	R110 R113 F174 I175	R110-N137 PolarHBondContact O-ND2 3.01Å; R113-N137 PolarHBondContact N-O 3.12Å; N137-F174 HydrophobicContact CB-CD1 4.29Å; N137-F174 WeakPolarHBondContact O-CE1 3.33Å; N137-I175 PolarHBondContact OD1-O 2.95Å
138	V	91.4	Very high	87.4	Confident	5 Å²	5	50.3 Å²	50.3	3%	0.03	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	136	-174.6	-174.4	0	0	0	0	111.2	R113 V115 V126 Y130 Y136 T140 C154	R113-V138 HydrophobicContact CB-CG2 4.26Å; R113-V138 WeakPolarHBondContact O-CA 3.4Å; V115-V138 HydrophobicContact CG2-CG1 4.37Å; V126-V138 HydrophobicContact CG1-CG1 4.44Å; Y130-V138 HydrophobicContact CD1-CG2 4.21Å; Y130-V138 HydrophobicContact CD2-CG1 3.99Å; Y130-V138 HydrophobicContact CD2-CG2 4.24Å; Y130-V138 HydrophobicContact CE2-CG1 4.48Å; Y130-V138 HydrophobicContact CG-CG1 4.39Å; Y130-V138 HydrophobicContact CG-CG2 3.79Å; Y136-V138 PolarHBondContact O-N 2.75Å; Y136-V138 VanDerWaalsContact O-N 3.14Å; V138-T140 HydrophobicContact CG1-CG2 4.48Å; V138-C154 HydrophobicContact CB-CB 4.34Å; V138-C154 WeakPolarHBondContact O-CB 3.43Å; V138-C154 PolarHBondContact O-N 3.19Å; V138-C154 PolarHBondContact O-SG 3.23Å
139	A	92.4	Very high	87.5	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	150.2	169.6	0	0	0	0	0	109.6	R113 L114 V115 V151 Y152 V173 F174	R113-A139 PolarHBondContact O-N 3.49Å; L114-A139 CarbonylContact C-O 3.44Å; L114-A139 WeakPolarHBondContact CA-O 3.45Å; L114-A139 HydrophobicContact CD1-CB 4.1Å; V115-A139 PolarHBondContact N-O 3.09Å; A139-V151 HydrophobicContact CB-CG1 3.95Å; A139-Y152 CarbonylContact C-O 2.85Å; A139-Y152 WeakPolarHBondContact CA-O 3.34Å; A139-V173 HydrophobicContact CB-CG1 3.66Å; A139-F174 HydrophobicContact CB-CE1 3.84Å; A139-F174 HydrophobicContact CB-CE2 4.38Å; A139-F174 HydrophobicContact CB-CZ 3.67Å
140	T	92.1	Very high	87.6	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	147.5	-178.3	70.3	0	0	0	0	111.6	V115 L117 V126 V138 Y152	V115-T140 HydrophobicContact CB-CG2 4.16Å; V115-T140 CarbonylContact O-C 3.57Å; V115-T140 WeakPolarHBondContact O-CA 3.48Å; L117-T140 HydrophobicContact CD1-CG2 4.46Å; L117-T140 HydrophobicContact CD2-CG2 4.32Å; V126-T140 HydrophobicContact CB-CG2 4.07Å; V126-T140 HydrophobicContact CG1-CG2 3.75Å; V138-T140 HydrophobicContact CG1-CG2 4.48Å; T140-Y152 PolarHBondContact N-O 3.49Å; T140-Y152 PolarHBondContact O-N 2.84Å; T140-Y152 WeakPolarHBondContact OG1-CB 3.25Å
141	I	90.8	Very high	87.8	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	139.4	172.9	52.5	167.9	0	0	0	109.6	V33 L36 F58 L114 V115 Y116 L117 F145 V151	V33-I141 HydrophobicContact CG2-CD1 4.2Å; L36-I141 HydrophobicContact CD2-CG2 3.9Å; F58-I141 HydrophobicContact CE1-CD1 3.78Å; F58-I141 HydrophobicContact CZ-CD1 3.65Å; F58-I141 HydrophobicContact CZ-CG1 4.24Å; L114-I141 HydrophobicContact CD1-CG2 4.17Å; V115-I141 PolarHBondContact O-N 3.45Å; Y116-I141 HydrophobicContact CD2-CD1 3.8Å; Y116-I141 HydrophobicContact CD2-CG1 3.87Å; L117-I141 PolarHBondContact N-O 2.9Å; I141-F145 HydrophobicContact CB-CB 4.38Å; I141-F145 HydrophobicContact CB-CD2 4.16Å; I141-F145 HydrophobicContact CB-CG 4.14Å; I141-F145 HydrophobicContact CD1-CD1 4.37Å; I141-F145 HydrophobicContact CG2-CD2 3.88Å; I141-F145 HydrophobicContact CG2-CE2 3.9Å; I141-F145 HydrophobicContact CG2-CG 4.21Å; I141-F145 HydrophobicContact CG2-CZ 4.24Å; I141-V151 HydrophobicContact CG2-CB 4.48Å; I141-V151 HydrophobicContact CG2-CG1 4.3Å; I141-V151 HydrophobicContact CG2-CG2 4.02Å
142	A	88.1	Confident	88	Confident	19 Å²	19	46.3 Å²	46.3	16%	0.157	22%	0.221	C	C	.	.			trans	-87.4	168.7	-179.3	0	0	0	0	0	112.2	D144 F145 Y152	A142-D144 WeakPolarHBondContact CB-OD1 3.47Å; A142-D144 PolarHBondContact O-N 2.87Å; A142-F145 WeakPolarHBondContact O-CB 3.46Å; A142-F145 PolarHBondContact O-N 3.17Å; A142-F145 VanDerWaalsContact O-N 3.16Å; A142-Y152 HydrophobicContact CB-CE2 4.34Å
143	E	84.3	Confident	88.3	Confident	101 Å²	101	38.3 Å²	38.3	47%	0.472	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-30.8	179.2	-174.4	168.4	-177	0	0	112.7	L117 G119 F145	L117-E143 PolarHBondContact O-N 3.47Å; G119-E143 PolarHBondContact N-OE2 3.42Å; E143-F145 VanDerWaalsContact C-N 3.29Å; E143-F145 PolarHBondContact O-N 2.85Å
144	D	83.6	Confident	88.7	Confident	76 Å²	76	34.8 Å²	34.8	41%	0.406	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	15.7	179.1	76.7	-27.5	0	0	0	114.2	A142 D146 K147 S148	A142-D144 WeakPolarHBondContact CB-OD1 3.47Å; A142-D144 PolarHBondContact O-N 2.87Å; D144-D146 PolarHBondContact O-N 3.24Å; D144-D146 VanDerWaalsContact O-N 3.1Å; D144-K147 PolarHBondContact O-N 2.97Å; D144-S148 PolarHBondContact O-N 2.87Å; D144-S148 PolarHBondContact O-OG 3.49Å; D144-S148 PolarHBondContact OD1-OG 3.36Å
145	F	85.1	Confident	89	Confident	0 Å²	0	33 Å²	33	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-56.5	-27.7	-176.7	-177.4	-114.5	0	0	0	113.9	L29 T32 V33 L36 I141 A142 E143 K147 S148 K149 I150 V151	L29-F145 HydrophobicContact CD1-CB 4.17Å; L29-F145 HydrophobicContact CD1-CD1 4.46Å; T32-F145 HydrophobicContact CG2-CD1 3.95Å; T32-F145 HydrophobicContact CG2-CE1 3.63Å; T32-F145 HydrophobicContact CG2-CZ 4.18Å; V33-F145 HydrophobicContact CG2-CD1 4.08Å; V33-F145 HydrophobicContact CG2-CE1 4.32Å; L36-F145 HydrophobicContact CB-CE1 4.29Å; L36-F145 HydrophobicContact CB-CZ 4.17Å; L36-F145 HydrophobicContact CD2-CE1 4.11Å; L36-F145 HydrophobicContact CD2-CZ 3.79Å; L36-F145 HydrophobicContact CG-CZ 4.45Å; I141-F145 HydrophobicContact CB-CB 4.38Å; I141-F145 HydrophobicContact CB-CD2 4.16Å; I141-F145 HydrophobicContact CB-CG 4.14Å; I141-F145 HydrophobicContact CD1-CD1 4.37Å; I141-F145 HydrophobicContact CG2-CD2 3.88Å; I141-F145 HydrophobicContact CG2-CE2 3.9Å; I141-F145 HydrophobicContact CG2-CG 4.21Å; I141-F145 HydrophobicContact CG2-CZ 4.24Å; A142-F145 WeakPolarHBondContact O-CB 3.46Å; A142-F145 PolarHBondContact O-N 3.17Å; A142-F145 VanDerWaalsContact O-N 3.16Å; E143-F145 VanDerWaalsContact C-N 3.29Å; E143-F145 PolarHBondContact O-N 2.85Å; F145-K147 PolarHBondContact O-N 2.74Å; F145-S148 WeakPolarHBondContact CA-OG 3.41Å; F145-K149 WeakPolarHBondContact O-CA 3.47Å; F145-K149 PolarHBondContact O-N 2.94Å; F145-I150 VanDerWaalsContact CD2-O 3.24Å; F145-I150 WeakPolarHBondContact CD2-O 3.46Å; F145-I150 WeakPolarHBondContact CE2-O 3.25Å; F145-V151 HydrophobicContact CE2-CG2 3.8Å; F145-V151 HydrophobicContact CZ-CG2 4.15Å
146	D	83.6	Confident	89.1	Confident	41 Å²	41	35.3 Å²	35.3	22%	0.219	17%	0.171	C	C	.	.	H	α-helix	trans	-59.7	-32	173.6	67.9	-38.7	0	0	0	112.7	L29 D144	L29-D146 HydrophobicContact CB-CB 4.24Å; L29-D146 HydrophobicContact CD1-CB 4.11Å; D144-D146 PolarHBondContact O-N 3.24Å; D144-D146 VanDerWaalsContact O-N 3.1Å
147	K	84.4	Confident	89	Confident	169 Å²	169	35 Å²	35	74%	0.735	17%	0.17	S	C	*	.	H	α-helix	trans	-98.2	-49.5	178.8	-65.5	169.6	-170.5	168	0	112.1	D144 F145	D144-K147 PolarHBondContact O-N 2.97Å; F145-K147 PolarHBondContact O-N 2.74Å
148	S	85.4	Confident	88.8	Confident	31 Å²	31	37.5 Å²	37.5	22%	0.217	18%	0.18	C	C	.	.	H	α-helix	trans	-70.7	-39.9	-174.2	64.1	0	0	0	0	111.2	D144 F145 I150	D144-S148 PolarHBondContact O-N 2.87Å; D144-S148 PolarHBondContact O-OG 3.49Å; D144-S148 PolarHBondContact OD1-OG 3.36Å; F145-S148 WeakPolarHBondContact CA-OG 3.41Å; S148-I150 WeakPolarHBondContact O-CG1 3.27Å; S148-I150 PolarHBondContact O-N 2.93Å
149	K	89.1	Confident	88.3	Confident	90 Å²	90	44.7 Å²	44.7	39%	0.391	22%	0.219	S	C	.	.			trans	53.8	27.5	-173.6	-56.2	-179.9	-179.9	178.6	0	112.9	T32 F145 L167	T32-K149 HydrophobicContact CG2-CG 4.14Å; F145-K149 WeakPolarHBondContact O-CA 3.47Å; F145-K149 PolarHBondContact O-N 2.94Å; K149-L167 HydrophobicContact CB-CB 4.09Å; K149-L167 WeakPolarHBondContact O-CB 3.22Å; K149-L167 PolarHBondContact O-N 3Å
150	I	91.1	Very high	87.8	Confident	42 Å²	42	49.2 Å²	49.2	22%	0.215	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	132.1	-179.9	-65	166.7	0	0	0	109.2	F145 S148 Y152 E164	F145-I150 VanDerWaalsContact CD2-O 3.24Å; F145-I150 WeakPolarHBondContact CD2-O 3.46Å; F145-I150 WeakPolarHBondContact CE2-O 3.25Å; S148-I150 WeakPolarHBondContact O-CG1 3.27Å; S148-I150 PolarHBondContact O-N 2.93Å; I150-Y152 HydrophobicContact CG2-CD1 4.41Å; I150-Y152 HydrophobicContact CG2-CD2 4.47Å; I150-Y152 HydrophobicContact CG2-CE1 4.07Å; I150-Y152 HydrophobicContact CG2-CE2 4.13Å; I150-E164 HydrophobicContact CG2-CB 3.98Å; I150-E164 HydrophobicContact CG2-CG 4.38Å
151	V	91.6	Very high	87.5	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	127.8	169.3	-175.8	0	0	0	0	107.9	L36 A139 I141 F145 I165 V173	L36-V151 HydrophobicContact CD1-CG2 3.77Å; L36-V151 HydrophobicContact CD2-CG2 3.9Å; L36-V151 HydrophobicContact CG-CG2 4.5Å; A139-V151 HydrophobicContact CB-CG1 3.95Å; I141-V151 HydrophobicContact CG2-CB 4.48Å; I141-V151 HydrophobicContact CG2-CG1 4.3Å; I141-V151 HydrophobicContact CG2-CG2 4.02Å; F145-V151 HydrophobicContact CE2-CG2 3.8Å; F145-V151 HydrophobicContact CZ-CG2 4.15Å; V151-I165 PolarHBondContact N-O 2.9Å; V151-I165 PolarHBondContact O-N 3.22Å; V151-V173 HydrophobicContact CG1-CG1 3.78Å
152	Y	92.4	Very high	87.4	Confident	44 Å²	44	53.4 Å²	53.4	17%	0.173	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	106.4	176.2	-59.2	-86.7	0	0	0	108.9	P123 A139 T140 A142 I150 I162 E164	P123-Y152 HydrophobicContact CB-CG 4.15Å; P123-Y152 HydrophobicContact CG-CD1 4.23Å; P123-Y152 HydrophobicContact CG-CD2 3.93Å; P123-Y152 HydrophobicContact CG-CE2 4.35Å; P123-Y152 HydrophobicContact CG-CG 3.87Å; A139-Y152 CarbonylContact C-O 2.85Å; A139-Y152 WeakPolarHBondContact CA-O 3.34Å; T140-Y152 PolarHBondContact N-O 3.49Å; T140-Y152 PolarHBondContact O-N 2.84Å; T140-Y152 WeakPolarHBondContact OG1-CB 3.25Å; A142-Y152 HydrophobicContact CB-CE2 4.34Å; I150-Y152 HydrophobicContact CG2-CD1 4.41Å; I150-Y152 HydrophobicContact CG2-CD2 4.47Å; I150-Y152 HydrophobicContact CG2-CE1 4.07Å; I150-Y152 HydrophobicContact CG2-CE2 4.13Å; Y152-I162 HydrophobicContact CD1-CG2 4.04Å; Y152-E164 HydrophobicContact CD1-CG 3.78Å; Y152-E164 HydrophobicContact CE1-CG 3.7Å
153	A	92.7	Very high	87.6	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	129.8	-179.9	0	0	0	0	0	111.2	R155 I162 E163 I165 V173	A153-R155 PolarHBondContact O-N 3.14Å; A153-I162 WeakPolarHBondContact O-CA 3.16Å; A153-E163 PolarHBondContact N-O 2.86Å; A153-E163 PolarHBondContact O-N 3.3Å; A153-I165 HydrophobicContact CB-CD1 3.68Å; A153-V173 WeakPolarHBondContact CB-O 3.33Å
154	C	92.8	Very high	87.9	Confident	11 Å²	11	56.7 Å²	56.7	7%	0.074	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	127.1	177.6	-53.4	0	0	0	0	110.3	C127 V138 N161 Q177	C127-C154 WeakPolarHBondContact CA-SG 3.27Å; C127-C154 HydrophobicContact CB-CB 3.84Å; C127-C154 WeakPolarHBondContact CB-SG 3.36Å; C127-C154 WeakPolarHBondContact SG-CB 3.43Å; C127-C154 CovalentContact SG-SG 2.04Å; C127-C154 PolarHBondContact SG-SG 3.36Å; V138-C154 HydrophobicContact CB-CB 4.34Å; V138-C154 WeakPolarHBondContact O-CB 3.43Å; V138-C154 PolarHBondContact O-N 3.19Å; V138-C154 PolarHBondContact O-SG 3.23Å; C154-N161 CarbonylContact C-O 3.6Å; C154-Q177 PolarHBondContact O-NE2 3.08Å
155	R	92	Very high	88.3	Confident	9 Å²	9	53.1 Å²	53.1	3%	0.034	26%	0.263	C	S	.	.			trans	-120.7	94.2	178.4	-59.8	-54.8	-168.7	-139.7	1.9	110.1	A153 F157 K158 N161 E163 P172 V173	A153-R155 PolarHBondContact O-N 3.14Å; R155-F157 VanDerWaalsContact C-N 3.34Å; R155-F157 PolarHBondContact O-N 2.86Å; R155-K158 HydrophobicContact CB-CB 3.99Å; R155-K158 HydrophobicContact CB-CD 4.17Å; R155-K158 HydrophobicContact CB-CG 4.22Å; R155-K158 HydrophobicContact CG-CD 4.28Å; R155-K158 PolarHBondContact O-N 2.89Å; R155-N161 PolarHBondContact N-O 3.11Å; R155-N161 VanDerWaalsContact O-CA 3.26Å; R155-N161 WeakPolarHBondContact O-CA 3.35Å; R155-E163 HydrophobicContact CG-CB 3.76Å; R155-E163 IonicContact CZ-OE2 2.64Å; R155-E163 IonicContact NE-OE2 2.98Å; R155-E163 PolarHBondContact NE-OE2 2.83Å; R155-E163 IonicContact NH2-OE2 3.88Å; R155-E163 PolarHBondContact NH2-OE2 3Å; R155-P172 PolarHBondContact NH2-O 3.1Å; R155-P172 VanDerWaalsContact NH2-O 3.16Å; R155-V173 PolarHBondContact NH1-O 3.48Å; R155-V173 PolarHBondContact NH2-O 3.46Å
156	H	88.9	Confident	88.5	Confident	54 Å²	54	54.9 Å²	54.9	25%	0.25	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-37.5	-171.4	179.1	53.9	0	0	0	114.3	L131 Y136	L131-H156 WeakPolarHBondContact CD1-CE1 3.25Å; L131-H156 VanDerWaalsContact CD1-ND1 3.28Å; L131-H156 WeakPolarHBondContact CD1-ND1 3.42Å; Y136-H156 HydrophobicContact CD1-CB 4.01Å; Y136-H156 AromaticContact CD1-CD2 3.88Å; Y136-H156 AromaticContact CD1-CG 3.77Å; Y136-H156 AromaticContact CE1-CD2 3.72Å; Y136-H156 AromaticContact CE1-CG 3.9Å; Y136-H156 AromaticContact CE1-NE2 3.85Å
157	F	87.5	Confident	88.6	Confident	25 Å²	25	54 Å²	54	11%	0.11	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-4.9	-175.2	-60.6	-66.9	0	0	0	114.9	R155 Q177 F178 M181 Y182 K184	R155-F157 VanDerWaalsContact C-N 3.34Å; R155-F157 PolarHBondContact O-N 2.86Å; F157-Q177 HydrophobicContact CD2-CB 4.31Å; F157-Q177 VanDerWaalsContact CD2-O 3.29Å; F157-Q177 WeakPolarHBondContact CD2-O 3.48Å; F157-Q177 HydrophobicContact CE2-CB 4.27Å; F157-Q177 WeakPolarHBondContact CE2-O 3.27Å; F157-F178 AromaticContact CE2-CD1 3.7Å; F157-F178 HydrophobicContact CE2-CD1 3.7Å; F157-F178 AromaticContact CE2-CE1 3.92Å; F157-F178 HydrophobicContact CE2-CE1 3.92Å; F157-F178 HydrophobicContact CE2-CG 4.12Å; F157-F178 HydrophobicContact CE2-CZ 4.48Å; F157-F178 AromaticContact CZ-CD1 3.54Å; F157-F178 HydrophobicContact CZ-CD1 3.54Å; F157-F178 AromaticContact CZ-CE1 3.49Å; F157-F178 HydrophobicContact CZ-CE1 3.49Å; F157-F178 VanDerWaalsContact CZ-CE1 3.49Å; F157-F178 HydrophobicContact CZ-CG 4.4Å; F157-F178 HydrophobicContact CZ-CZ 4.29Å; F157-M181 HydrophobicContact CE1-CB 4.08Å; F157-M181 HydrophobicContact CE1-CE 4.33Å; F157-M181 HydrophobicContact CE1-CG 4.24Å; F157-M181 HydrophobicContact CE2-CB 4.47Å; F157-M181 HydrophobicContact CE2-CG 4.05Å; F157-M181 HydrophobicContact CZ-CB 4.05Å; F157-M181 HydrophobicContact CZ-CE 4.12Å; F157-M181 HydrophobicContact CZ-CG 3.71Å; F157-Y182 HydrophobicContact CB-CD2 3.47Å; F157-Y182 VanDerWaalsContact CB-CD2 3.47Å; F157-Y182 HydrophobicContact CB-CE2 4.04Å; F157-Y182 HydrophobicContact CB-CG 4.41Å; F157-Y182 HydrophobicContact CG-CD2 4.37Å; F157-K184 HydrophobicContact CD1-CB 4.3Å; F157-K184 HydrophobicContact CD1-CG 3.6Å; F157-K184 HydrophobicContact CE1-CB 3.95Å; F157-K184 HydrophobicContact CE1-CG 3.69Å
158	K	85.4	Confident	88.5	Confident	70 Å²	70	53.2 Å²	53.2	30%	0.304	27%	0.274	S	S	.	.	S	Bend	trans	-99.6	149	178.3	-65.9	-173	-178.5	178.5	0	109.9	R155 P160 N161 E163	R155-K158 HydrophobicContact CB-CB 3.99Å; R155-K158 HydrophobicContact CB-CD 4.17Å; R155-K158 HydrophobicContact CB-CG 4.22Å; R155-K158 HydrophobicContact CG-CD 4.28Å; R155-K158 PolarHBondContact O-N 2.89Å; K158-P160 CarbonylContact C-O 3.58Å; K158-P160 CarbonylContact O-C 3.59Å; K158-P160 VanDerWaalsContact O-C 3.24Å; K158-N161 WeakPolarHBondContact O-CA 3.38Å; K158-N161 PolarHBondContact O-N 2.87Å; K158-N161 PolarHBondContact O-OD1 2.82Å; K158-E163 IonicContact NZ-OE1 3.04Å; K158-E163 PolarHBondContact NZ-OE1 3.41Å; K158-E163 IonicContact NZ-OE2 3.04Å
159	D	80.9	Confident	88.5	Confident	156 Å²	156	55.4 Å²	55.4	83%	0.834	28%	0.283	S	S	*	.	S	Bend	trans	-116.6	116.3	168.3	-173.1	11.8	0	0	0	108.4
160	P	81.8	Confident	88.2	Confident	95 Å²	95	57 Å²	57	62%	0.617	31%	0.306	S	S	*	.	S	Bend	cis	-70.3	152.6	3.7	29.6	-35.4	0	0	0	114.1	K158 I162	K158-P160 CarbonylContact C-O 3.58Å; K158-P160 CarbonylContact O-C 3.59Å; K158-P160 VanDerWaalsContact O-C 3.24Å; P160-I162 PolarHBondContact O-N 3.29Å
161	N	85.3	Confident	88.1	Confident	54 Å²	54	58 Å²	58	29%	0.289	31%	0.314	S	S	.	.	S	Bend	trans	-73.7	7.9	-177.7	-62.8	5	0	0	0	114	C154 R155 K158	C154-N161 CarbonylContact C-O 3.6Å; R155-N161 PolarHBondContact N-O 3.11Å; R155-N161 VanDerWaalsContact O-CA 3.26Å; R155-N161 WeakPolarHBondContact O-CA 3.35Å; K158-N161 WeakPolarHBondContact O-CA 3.38Å; K158-N161 PolarHBondContact O-N 2.87Å; K158-N161 PolarHBondContact O-OD1 2.82Å
162	I	89.9	Confident	88	Confident	35 Å²	35	60.9 Å²	60.9	18%	0.179	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	134.8	-180	-63.1	171.9	0	0	0	108.3	P123 Q124 Y152 A153 P160	P123-I162 HydrophobicContact CB-CD1 4.07Å; Q124-I162 HydrophobicContact CB-CD1 3.87Å; Y152-I162 HydrophobicContact CD1-CG2 4.04Å; A153-I162 WeakPolarHBondContact O-CA 3.16Å; P160-I162 PolarHBondContact O-N 3.29Å
163	E	91.5	Very high	87.8	Confident	60 Å²	60	58.9 Å²	58.9	28%	0.28	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.2	171.6	-168.8	166.4	-129	0	0	108.7	A153 R155 K158 I165	A153-E163 PolarHBondContact N-O 2.86Å; A153-E163 PolarHBondContact O-N 3.3Å; R155-E163 HydrophobicContact CG-CB 3.76Å; R155-E163 IonicContact CZ-OE2 2.64Å; R155-E163 IonicContact NE-OE2 2.98Å; R155-E163 PolarHBondContact NE-OE2 2.83Å; R155-E163 IonicContact NH2-OE2 3.88Å; R155-E163 PolarHBondContact NH2-OE2 3Å; K158-E163 IonicContact NZ-OE1 3.04Å; K158-E163 PolarHBondContact NZ-OE1 3.41Å; K158-E163 IonicContact NZ-OE2 3.04Å; E163-I165 HydrophobicContact CG-CG1 4.28Å
164	E	91.8	Very high	87.7	Confident	129 Å²	129	60 Å²	60	60%	0.603	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	122.8	174	-62.1	-174.2	179.1	0	0	109.1	I150 Y152	I150-E164 HydrophobicContact CG2-CB 3.98Å; I150-E164 HydrophobicContact CG2-CG 4.38Å; Y152-E164 HydrophobicContact CD1-CG 3.78Å; Y152-E164 HydrophobicContact CE1-CG 3.7Å
165	I	91.3	Very high	87.5	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.005	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	119.6	-175.7	-61	172.7	0	0	0	108.5	V151 A153 E163 T171 V173	V151-I165 PolarHBondContact N-O 2.9Å; V151-I165 PolarHBondContact O-N 3.22Å; A153-I165 HydrophobicContact CB-CD1 3.68Å; E163-I165 HydrophobicContact CG-CG1 4.28Å; I165-T171 WeakPolarHBondContact CG2-OG1 3.34Å; I165-V173 HydrophobicContact CG2-CG2 4.49Å
166	S	89.2	Confident	87.4	Confident	36 Å²	36	63.6 Å²	63.6	25%	0.252	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	144.5	172.1	-177.5	0	0	0	0	110.2	R39 L168 D169	R39-S166 PolarHBondContact NH1-O 2.86Å; S166-L168 PolarHBondContact O-N 3.49Å; S166-L168 VanDerWaalsContact O-N 3.1Å; S166-D169 WeakPolarHBondContact CB-OD2 3.47Å; S166-D169 PolarHBondContact N-OD2 3.18Å; S166-D169 VanDerWaalsContact N-OD2 3.1Å; S166-D169 WeakPolarHBondContact O-CB 3.25Å; S166-D169 PolarHBondContact O-N 3.05Å
167	L	85.2	Confident	87.5	Confident	24 Å²	24	61.7 Å²	61.7	13%	0.126	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-25.5	174.8	-177.6	64.7	0	0	0	113.1	T32 S35 L36 R39 K149	T32-L167 HydrophobicContact CG2-CD2 3.95Å; S35-L167 WeakPolarHBondContact OG-CD2 3.24Å; L36-L167 HydrophobicContact CB-CD1 3.88Å; L36-L167 HydrophobicContact CD1-CD1 3.89Å; R39-L167 PolarHBondContact NH1-O 3.35Å; K149-L167 HydrophobicContact CB-CB 4.09Å; K149-L167 WeakPolarHBondContact O-CB 3.22Å; K149-L167 PolarHBondContact O-N 3Å
168	L	83.1	Confident	87.7	Confident	151 Å²	151	61 Å²	61	79%	0.791	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-13.5	178.6	-63.7	171.9	0	0	0	113.8	S166	S166-L168 PolarHBondContact O-N 3.49Å; S166-L168 VanDerWaalsContact O-N 3.1Å
169	D	85.6	Confident	88	Confident	77 Å²	77	66.1 Å²	66.1	41%	0.412	35%	0.353	S	S	.	.	S	Bend	trans	-72.4	150.8	-179.1	-66.9	-23.3	0	0	0	111.2	R39 S166 T171	R39-D169 PolarHBondContact NH1-O 3.21Å; R39-D169 PolarHBondContact NH2-O 2.86Å; R39-D169 VanDerWaalsContact NH2-O 3.11Å; S166-D169 WeakPolarHBondContact CB-OD2 3.47Å; S166-D169 PolarHBondContact N-OD2 3.18Å; S166-D169 VanDerWaalsContact N-OD2 3.1Å; S166-D169 WeakPolarHBondContact O-CB 3.25Å; S166-D169 PolarHBondContact O-N 3.05Å; D169-T171 VanDerWaalsContact C-N 3.27Å; D169-T171 PolarHBondContact O-N 3.46Å
170	S	82.9	Confident	88.6	Confident	125 Å²	125	61.2 Å²	61.2	87%	0.874	33%	0.326	S	S	*	.	S	Bend	trans	-82.2	-2.8	175.3	57.8	0	0	0	0	113.7
171	T	87.9	Confident	89.2	Confident	62 Å²	62	57 Å²	57	38%	0.38	30%	0.299	S	S	.	.	S	Bend	trans	-73.9	124	-178.4	50.6	0	0	0	0	110.8	R39 I165 D169	R39-T171 PolarHBondContact NH2-O 3.38Å; I165-T171 WeakPolarHBondContact CG2-OG1 3.34Å; D169-T171 VanDerWaalsContact C-N 3.27Å; D169-T171 PolarHBondContact O-N 3.46Å
172	P	89.3	Confident	89.5	Confident	61 Å²	61	60.4 Å²	60.4	40%	0.396	31%	0.308	S	S	.	.			trans	-63.2	139.4	-175.9	26.4	-35.2	0	0	0	112.3	R155 I175	R155-P172 PolarHBondContact NH2-O 3.1Å; R155-P172 VanDerWaalsContact NH2-O 3.16Å; P172-I175 HydrophobicContact CB-CG2 4.44Å; P172-I175 HydrophobicContact CG-CG2 3.87Å
173	V	89.1	Confident	89.6	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.006	31%	0.314	C	S	.	.	S	Bend	trans	-67.8	-50	-179.3	177.3	0	0	0	0	110.1	L40 E43 A139 V151 A153 R155 I165	L40-V173 HydrophobicContact CD2-CB 3.78Å; L40-V173 HydrophobicContact CD2-CG1 4.2Å; L40-V173 HydrophobicContact CD2-CG2 3.97Å; E43-V173 PolarHBondContact OE2-N 2.93Å; A139-V173 HydrophobicContact CB-CG1 3.66Å; V151-V173 HydrophobicContact CG1-CG1 3.78Å; A153-V173 WeakPolarHBondContact CB-O 3.33Å; R155-V173 PolarHBondContact NH1-O 3.48Å; R155-V173 PolarHBondContact NH2-O 3.46Å; I165-V173 HydrophobicContact CG2-CG2 4.49Å
174	F	89.6	Confident	89.7	Confident	24 Å²	24	62.6 Å²	62.6	11%	0.105	32%	0.324	C	S	.	.	S	Bend	trans	-101.8	136.8	176.9	-61.3	-84.3	0	0	0	110.1	L40 L49 R112 R113 N137 A139	L40-F174 HydrophobicContact CD1-CE2 4.18Å; L40-F174 HydrophobicContact CD2-CD2 3.77Å; L40-F174 HydrophobicContact CD2-CE2 3.68Å; L49-F174 HydrophobicContact CD1-CE2 4.37Å; R112-F174 HydrophobicContact CB-CD1 3.93Å; R112-F174 HydrophobicContact CB-CD2 4.09Å; R112-F174 HydrophobicContact CB-CE1 3.87Å; R112-F174 HydrophobicContact CB-CE2 4.02Å; R112-F174 HydrophobicContact CB-CG 4.03Å; R112-F174 HydrophobicContact CB-CZ 3.91Å; R112-F174 HydrophobicContact CG-CB 3.97Å; R112-F174 HydrophobicContact CG-CD1 3.85Å; R112-F174 HydrophobicContact CG-CD2 3.97Å; R112-F174 HydrophobicContact CG-CE1 4.32Å; R112-F174 HydrophobicContact CG-CE2 4.42Å; R112-F174 HydrophobicContact CG-CG 3.65Å; R113-F174 WeakPolarHBondContact O-CE1 3.42Å; R113-F174 WeakPolarHBondContact O-CZ 3.31Å; N137-F174 HydrophobicContact CB-CD1 4.29Å; N137-F174 WeakPolarHBondContact O-CE1 3.33Å; A139-F174 HydrophobicContact CB-CE1 3.84Å; A139-F174 HydrophobicContact CB-CE2 4.38Å; A139-F174 HydrophobicContact CB-CZ 3.67Å
175	I	90	Very high	89.8	Confident	56 Å²	56	59.3 Å²	59.3	29%	0.287	31%	0.313	S	S	.	.			trans	-130.4	153.6	175.6	69.1	178.1	0	0	0	109.3	N137 P172 Q177	N137-I175 PolarHBondContact OD1-O 2.95Å; P172-I175 HydrophobicContact CB-CG2 4.44Å; P172-I175 HydrophobicContact CG-CG2 3.87Å; I175-Q177 HydrophobicContact CG1-CG 4.39Å; I175-Q177 PolarHBondContact O-N 3.09Å
176	E	89.7	Confident	90	Very high	40 Å²	40	59.3 Å²	59.3	19%	0.187	31%	0.313	C	S	.	.			trans	-72.7	95.1	169.7	-177.6	58.8	-101	0	0	109.8	R110 F178 R179 H503 L504	R110-E176 IonicContact NE-OE2 3.72Å; E176-F178 VanDerWaalsContact C-N 3.28Å; E176-F178 PolarHBondContact O-N 2.96Å; E176-R179 HydrophobicContact CB-CG 4.04Å; E176-R179 HydrophobicContact CG-CB 4.47Å; E176-R179 HydrophobicContact CG-CG 3.67Å; E176-R179 PolarHBondContact O-N 3.29Å; E176-H503 IonicContact OE1-CE1 3.81Å; E176-H503 IonicContact OE1-NE2 3.34Å; E176-H503 IonicContact OE2-CD2 3.12Å; E176-H503 IonicContact OE2-CE1 2.79Å; E176-H503 PolarHBondContact OE2-CE1 3.27Å; E176-H503 IonicContact OE2-NE2 3.85Å; E176-H503 PolarHBondContact OE2-NE2 2.75Å; E176-L504 HydrophobicContact CG-CD1 4.09Å; E176-L504 HydrophobicContact CG-CD2 4.16Å
177	Q	89.8	Confident	90.3	Very high	14 Å²	14	61.5 Å²	61.5	7%	0.065	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-61.1	-36.6	-171.1	-56	-128.6	42.6	0	0	112.3	Y136 C154 F157 I175 R179	Y136-Q177 PolarHBondContact O-NE2 2.86Å; C154-Q177 PolarHBondContact O-NE2 3.08Å; F157-Q177 HydrophobicContact CD2-CB 4.31Å; F157-Q177 VanDerWaalsContact CD2-O 3.29Å; F157-Q177 WeakPolarHBondContact CD2-O 3.48Å; F157-Q177 HydrophobicContact CE2-CB 4.27Å; F157-Q177 WeakPolarHBondContact CE2-O 3.27Å; I175-Q177 HydrophobicContact CG1-CG 4.39Å; I175-Q177 PolarHBondContact O-N 3.09Å; Q177-R179 VanDerWaalsContact C-N 3.26Å; Q177-R179 PolarHBondContact O-N 3.14Å
178	F	92.5	Very high	90.7	Very high	10 Å²	10	60.4 Å²	60.4	4%	0.044	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-82.6	3.6	-175.1	-65.9	-86.3	0	0	0	114.2	Y136 F157 E176 N180 M181 V225 P500 Y501 L504	Y136-F178 HydrophobicContact CD1-CE2 4.16Å; Y136-F178 AromaticContact CD1-CZ 3.93Å; Y136-F178 HydrophobicContact CD1-CZ 3.93Å; Y136-F178 AromaticContact CD2-CE2 3.56Å; Y136-F178 HydrophobicContact CD2-CE2 3.56Å; Y136-F178 AromaticContact CD2-CZ 3.72Å; Y136-F178 HydrophobicContact CD2-CZ 3.72Å; Y136-F178 AromaticContact CE1-CZ 3.86Å; Y136-F178 HydrophobicContact CE1-CZ 3.86Å; Y136-F178 AromaticContact CE2-CE2 3.99Å; Y136-F178 HydrophobicContact CE2-CE2 3.99Å; Y136-F178 AromaticContact CE2-CZ 3.68Å; Y136-F178 HydrophobicContact CE2-CZ 3.68Å; Y136-F178 AromaticContact CG-CE2 3.67Å; Y136-F178 HydrophobicContact CG-CE2 3.67Å; Y136-F178 AromaticContact CG-CZ 3.86Å; Y136-F178 HydrophobicContact CG-CZ 3.86Å; Y136-F178 AromaticContact CZ-CZ 3.74Å; F157-F178 AromaticContact CE2-CD1 3.7Å; F157-F178 HydrophobicContact CE2-CD1 3.7Å; F157-F178 AromaticContact CE2-CE1 3.92Å; F157-F178 HydrophobicContact CE2-CE1 3.92Å; F157-F178 HydrophobicContact CE2-CG 4.12Å; F157-F178 HydrophobicContact CE2-CZ 4.48Å; F157-F178 AromaticContact CZ-CD1 3.54Å; F157-F178 HydrophobicContact CZ-CD1 3.54Å; F157-F178 AromaticContact CZ-CE1 3.49Å; F157-F178 HydrophobicContact CZ-CE1 3.49Å; F157-F178 VanDerWaalsContact CZ-CE1 3.49Å; F157-F178 HydrophobicContact CZ-CG 4.4Å; F157-F178 HydrophobicContact CZ-CZ 4.29Å; E176-F178 VanDerWaalsContact C-N 3.28Å; E176-F178 PolarHBondContact O-N 2.96Å; F178-N180 PolarHBondContact O-N 3.32Å; F178-M181 HydrophobicContact CD1-CE 4.4Å; F178-M181 HydrophobicContact CD1-CG 4.23Å; F178-M181 HydrophobicContact CD1-SD 4.21Å; F178-V225 WeakPolarHBondContact O-CB 3.12Å; F178-V225 VanDerWaalsContact O-CG1 3.32Å; F178-V225 WeakPolarHBondContact O-CG1 3.34Å; F178-P500 HydrophobicContact CD2-CB 4.38Å; F178-P500 HydrophobicContact CE1-CB 4.27Å; F178-P500 HydrophobicContact CE2-CB 3.56Å; F178-P500 HydrophobicContact CZ-CB 3.49Å; F178-P500 VanDerWaalsContact CZ-CB 3.49Å; F178-P500 HydrophobicContact CZ-CG 4.1Å; F178-Y501 HydrophobicContact CB-CG 4.4Å; F178-Y501 AromaticContact CD1-CD1 3.34Å; F178-Y501 HydrophobicContact CD1-CD1 3.34Å; F178-Y501 HydrophobicContact CD1-CE1 4.12Å; F178-Y501 HydrophobicContact CD1-CG 4.01Å; F178-Y501 AromaticContact CE1-CD1 3.53Å; F178-Y501 HydrophobicContact CE1-CD1 3.53Å; F178-Y501 HydrophobicContact CE1-CE1 4.08Å; F178-Y501 AromaticContact CG-CD1 3.95Å; F178-Y501 HydrophobicContact CG-CD1 3.95Å; F178-Y501 HydrophobicContact CG-CG 4.25Å; F178-Y501 HydrophobicContact CZ-CD1 4.29Å; F178-L504 HydrophobicContact CB-CD1 3.66Å
179	R	92.2	Very high	91.2	Very high	178 Å²	178	53.2 Å²	53.2	67%	0.672	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-66.1	-24.1	167.8	-83	179.6	-177.6	-159.9	-0.8	112.7	E176 Q177	E176-R179 HydrophobicContact CB-CG 4.04Å; E176-R179 HydrophobicContact CG-CB 4.47Å; E176-R179 HydrophobicContact CG-CG 3.67Å; E176-R179 PolarHBondContact O-N 3.29Å; Q177-R179 VanDerWaalsContact C-N 3.26Å; Q177-R179 PolarHBondContact O-N 3.14Å
180	N	93.4	Very high	91.4	Very high	52 Å²	52	49.7 Å²	49.7	28%	0.278	25%	0.254	S	S	.	.			trans	-145.4	107	174.6	-176	-2.4	0	0	0	109.3	F178 Y182 V225 N226	F178-N180 PolarHBondContact O-N 3.32Å; N180-Y182 VanDerWaalsContact C-N 3.33Å; N180-Y182 HydrophobicContact CB-CD2 4.37Å; N180-Y182 HydrophobicContact CB-CE2 4.04Å; N180-Y182 WeakPolarHBondContact O-CD2 3.4Å; N180-Y182 WeakPolarHBondContact O-CE2 3.36Å; N180-Y182 PolarHBondContact OD1-N 2.99Å; N180-V225 CarbonylContact C-O 3.56Å; N180-V225 WeakPolarHBondContact CA-O 3.37Å; N180-N226 WeakPolarHBondContact OD1-CB 3.5Å; N180-N226 PolarHBondContact OD1-ND2 3.41Å
181	M	93.1	Very high	91.7	Very high	8 Å²	8	43.8 Å²	43.8	4%	0.039	21%	0.213	C	C	.	.			trans	-88.1	0.2	-178.5	-64.2	-176.7	62.3	0	0	113	F157 F178 G183 K184 I186 V225 A227 Y501	F157-M181 HydrophobicContact CE1-CB 4.08Å; F157-M181 HydrophobicContact CE1-CE 4.33Å; F157-M181 HydrophobicContact CE1-CG 4.24Å; F157-M181 HydrophobicContact CE2-CB 4.47Å; F157-M181 HydrophobicContact CE2-CG 4.05Å; F157-M181 HydrophobicContact CZ-CB 4.05Å; F157-M181 HydrophobicContact CZ-CE 4.12Å; F157-M181 HydrophobicContact CZ-CG 3.71Å; F178-M181 HydrophobicContact CD1-CE 4.4Å; F178-M181 HydrophobicContact CD1-CG 4.23Å; F178-M181 HydrophobicContact CD1-SD 4.21Å; M181-G183 PolarHBondContact O-N 3.22Å; M181-G183 VanDerWaalsContact O-N 3.16Å; M181-K184 HydrophobicContact CB-CB 4.35Å; M181-K184 HydrophobicContact CE-CB 4.3Å; M181-K184 WeakPolarHBondContact O-CB 3.29Å; M181-K184 VanDerWaalsContact O-CG 3.24Å; M181-K184 WeakPolarHBondContact O-CG 3.5Å; M181-K184 PolarHBondContact O-N 2.96Å; M181-I186 HydrophobicContact CE-CG1 3.97Å; M181-I186 HydrophobicContact SD-CD1 4.11Å; M181-I186 HydrophobicContact SD-CG1 4.12Å; M181-V225 HydrophobicContact CG-CB 4.41Å; M181-V225 HydrophobicContact CG-CG2 4.33Å; M181-V225 PolarHBondContact N-O 2.57Å; M181-V225 HydrophobicContact SD-CB 4.46Å; M181-V225 HydrophobicContact SD-CG2 3.84Å; M181-A227 HydrophobicContact CB-CB 3.97Å; M181-A227 HydrophobicContact CE-CB 4.3Å; M181-A227 HydrophobicContact CG-CB 4.31Å; M181-A227 HydrophobicContact SD-CB 3.7Å; M181-Y501 HydrophobicContact CE-CE1 4.43Å
182	Y	93	Very high	91.7	Very high	125 Å²	125	43.5 Å²	43.5	49%	0.49	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	40	177.6	-62.4	-94	0	0	0	113.8	F157 N180 K184 N226	F157-Y182 HydrophobicContact CB-CD2 3.47Å; F157-Y182 VanDerWaalsContact CB-CD2 3.47Å; F157-Y182 HydrophobicContact CB-CE2 4.04Å; F157-Y182 HydrophobicContact CB-CG 4.41Å; F157-Y182 HydrophobicContact CG-CD2 4.37Å; N180-Y182 VanDerWaalsContact C-N 3.33Å; N180-Y182 HydrophobicContact CB-CD2 4.37Å; N180-Y182 HydrophobicContact CB-CE2 4.04Å; N180-Y182 WeakPolarHBondContact O-CD2 3.4Å; N180-Y182 WeakPolarHBondContact O-CE2 3.36Å; N180-Y182 PolarHBondContact OD1-N 2.99Å; Y182-K184 VanDerWaalsContact C-N 3.34Å; Y182-N226 PolarHBondContact N-O 3.11Å
183	G	92.4	Very high	91.7	Very high	29 Å²	29	42.4 Å²	42.4	30%	0.299	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	8.4	178.7	0	0	0	0	0	115	M181 N226 T228	M181-G183 PolarHBondContact O-N 3.22Å; M181-G183 VanDerWaalsContact O-N 3.16Å; G183-N226 PolarHBondContact N-O 3.19Å; G183-T228 VanDerWaalsContact O-CG2 3.25Å; G183-T228 WeakPolarHBondContact O-CG2 3.33Å; G183-T228 PolarHBondContact O-OG1 2.95Å
184	K	92.4	Very high	91.7	Very high	112 Å²	112	43.7 Å²	43.7	49%	0.487	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-61.1	147	171.6	-69.4	-63.4	-174.2	178.9	0	111.4	F157 M181 Y182 A227 T228	F157-K184 HydrophobicContact CD1-CB 4.3Å; F157-K184 HydrophobicContact CD1-CG 3.6Å; F157-K184 HydrophobicContact CE1-CB 3.95Å; F157-K184 HydrophobicContact CE1-CG 3.69Å; M181-K184 HydrophobicContact CB-CB 4.35Å; M181-K184 HydrophobicContact CE-CB 4.3Å; M181-K184 WeakPolarHBondContact O-CB 3.29Å; M181-K184 VanDerWaalsContact O-CG 3.24Å; M181-K184 WeakPolarHBondContact O-CG 3.5Å; M181-K184 PolarHBondContact O-N 2.96Å; Y182-K184 VanDerWaalsContact C-N 3.34Å; K184-A227 WeakPolarHBondContact O-CA 3.48Å; K184-A227 WeakPolarHBondContact O-CB 2.95Å; K184-T228 PolarHBondContact O-N 3Å; K184-T228 PolarHBondContact O-OG1 2.93Å
185	P	94.5	Very high	91.8	Very high	59 Å²	59	42.7 Å²	42.7	38%	0.383	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	141.1	-174.9	29.9	-34.4	0	0	0	112.1	T228 E230	P185-T228 CarbonylContact C-O 3.54Å; P185-T228 VanDerWaalsContact CA-O 3.25Å; P185-T228 WeakPolarHBondContact CA-O 3.38Å; P185-T228 WeakPolarHBondContact CA-OG1 3.37Å; P185-E230 HydrophobicContact CB-CB 3.96Å
186	I	95.2	Very high	91.9	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	119.6	160.4	-65	172	0	0	0	106.5	M181 A188 F221 A222 V225 A227 T228 L229 E230 D253 I254	M181-I186 HydrophobicContact CE-CG1 3.97Å; M181-I186 HydrophobicContact SD-CD1 4.11Å; M181-I186 HydrophobicContact SD-CG1 4.12Å; I186-A188 PolarHBondContact O-N 3.03Å; I186-F221 HydrophobicContact CD1-CD1 4.11Å; I186-F221 HydrophobicContact CD1-CE1 4Å; I186-A222 HydrophobicContact CD1-CB 4.37Å; I186-V225 HydrophobicContact CD1-CG2 4.17Å; I186-A227 HydrophobicContact CD1-CB 3.61Å; I186-A227 HydrophobicContact CG1-CB 3.88Å; I186-T228 PolarHBondContact N-O 3.25Å; I186-L229 HydrophobicContact CB-CD1 4.37Å; I186-L229 HydrophobicContact CG2-CD1 4.34Å; I186-E230 PolarHBondContact O-N 3.47Å; I186-D253 HydrophobicContact CG2-CB 4.32Å; I186-I254 HydrophobicContact CG2-CD1 4.05Å; I186-I254 HydrophobicContact CG2-CG1 4.24Å
187	R	95.1	Very high	92	Very high	82 Å²	82	39.7 Å²	39.7	31%	0.309	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	115.9	-179.5	-60.6	173.4	-63.8	163.5	6.3	109.3	E250 Q251 L252 D253 I254	R187-E250 PolarHBondContact NH2-O 3.36Å; R187-Q251 PolarHBondContact NH1-O 3.48Å; R187-L252 HydrophobicContact CB-CD1 4.35Å; R187-L252 WeakPolarHBondContact O-CD1 3.48Å; R187-D253 WeakPolarHBondContact CB-OD2 3.21Å; R187-D253 IonicContact CZ-OD1 3.42Å; R187-D253 PolarHBondContact N-OD2 3.14Å; R187-D253 IonicContact NE-OD1 2.87Å; R187-D253 PolarHBondContact NE-OD1 3.18Å; R187-D253 IonicContact NE-OD2 3.22Å; R187-D253 PolarHBondContact NE-OD2 3.45Å; R187-D253 IonicContact NH2-OD1 3.62Å; R187-D253 PolarHBondContact NH2-OD1 3.22Å; R187-D253 IonicContact NH2-OD2 2.68Å; R187-D253 WeakPolarHBondContact O-CB 3.17Å; R187-D253 PolarHBondContact O-N 2.92Å; R187-I254 PolarHBondContact O-N 3.31Å
188	A	93.9	Very high	92.1	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.008	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	145.7	-176.3	0	0	0	0	0	113	I186 L229 E230 L231 D232 I254 I256	I186-A188 PolarHBondContact O-N 3.03Å; A188-L229 HydrophobicContact CB-CD1 3.57Å; A188-L229 HydrophobicContact CB-CG 4.28Å; A188-E230 PolarHBondContact N-O 2.74Å; A188-E230 VanDerWaalsContact O-O 3.14Å; A188-L231 WeakPolarHBondContact O-CA 3.44Å; A188-D232 PolarHBondContact O-N 2.99Å; A188-I254 VanDerWaalsContact CA-O 3.26Å; A188-I254 WeakPolarHBondContact CA-O 3.26Å; A188-I256 HydrophobicContact CB-CD1 3.91Å; A188-I256 HydrophobicContact CB-CG1 4.09Å
189	V	92.8	Very high	92.1	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	133.1	178.3	172	0	0	0	0	108.3	D232 L234 I243 M246 L252 I256	V189-D232 HydrophobicContact CG2-CB 3.92Å; V189-L234 HydrophobicContact CG1-CD1 3.59Å; V189-L234 HydrophobicContact CG1-CG 3.69Å; V189-I243 HydrophobicContact CB-CG1 4.32Å; V189-I243 HydrophobicContact CG1-CD1 4.02Å; V189-I243 HydrophobicContact CG1-CG1 3.66Å; V189-M246 HydrophobicContact CG2-CE 4.05Å; V189-L252 HydrophobicContact CB-CD1 4Å; V189-L252 HydrophobicContact CB-CD2 3.85Å; V189-L252 HydrophobicContact CG2-CD1 3.52Å; V189-L252 HydrophobicContact CG2-CD2 4.16Å; V189-I256 PolarHBondContact O-N 2.97Å
190	A	91.1	Very high	92	Very high	2 Å²	2	35.8 Å²	35.8	2%	0.017	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	146	-178.8	0	0	0	0	0	113.4	L192 L231 I256	A190-L192 VanDerWaalsContact C-N 3.27Å; A190-L192 HydrophobicContact CB-CD2 4.01Å; A190-L192 PolarHBondContact O-N 2.98Å; A190-L231 HydrophobicContact CB-CD1 4.29Å; A190-I256 WeakPolarHBondContact CA-O 3.42Å; A190-I256 HydrophobicContact CB-CB 4.01Å; A190-I256 HydrophobicContact CB-CG2 4.43Å
191	D	88.1	Confident	91.9	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.011	19%	0.193	C	C	.	.			trans	-75.9	-15.9	176.7	67.8	5.3	0	0	0	114.3	L193 S197 I239 V240 I243 I256 S257	D191-L193 HydrophobicContact CB-CD1 4.27Å; D191-L193 HydrophobicContact CB-CG 4.02Å; D191-L193 PolarHBondContact O-N 3.3Å; D191-L193 VanDerWaalsContact O-N 3.13Å; D191-L193 PolarHBondContact OD1-N 3.32Å; D191-S197 PolarHBondContact OD1-OG 3.26Å; D191-I239 VanDerWaalsContact CA-CG2 3.47Å; D191-I239 HydrophobicContact CB-CG2 4.12Å; D191-V240 HydrophobicContact CB-CG2 4.23Å; D191-I243 HydrophobicContact CB-CD1 4.01Å; D191-I256 PolarHBondContact N-O 3.47Å; D191-S257 WeakPolarHBondContact OD2-CA 3.05Å; D191-S257 PolarHBondContact OD2-OG 3.28Å
192	L	88.9	Confident	91.7	Very high	55 Å²	55	40 Å²	40	29%	0.288	20%	0.196	S	C	.	.			trans	51.9	24.5	-172.6	-56.9	-173.5	0	0	0	113.9	A190 S194 S197 L199 V233	A190-L192 VanDerWaalsContact C-N 3.27Å; A190-L192 HydrophobicContact CB-CD2 4.01Å; A190-L192 PolarHBondContact O-N 2.98Å; L192-S194 PolarHBondContact O-N 2.96Å; L192-S197 CarbonylContact C-O 3.31Å; L192-S197 VanDerWaalsContact C-O 3.26Å; L192-S197 WeakPolarHBondContact CA-O 3.22Å; L192-S197 VanDerWaalsContact CA-OG 3.28Å; L192-S197 WeakPolarHBondContact CA-OG 3.06Å; L192-S197 PolarHBondContact N-OG 3.36Å; L192-L199 HydrophobicContact CD2-CB 3.89Å; L192-V233 HydrophobicContact CD1-CG1 3.8Å
193	L	88.2	Confident	91.4	Very high	39 Å²	39	39.3 Å²	39.3	20%	0.204	21%	0.207	C	C	.	.			trans	-84.6	109.2	176.9	-63.8	-177.7	0	0	0	109.3	D191 R196 S197 V240 Y443	D191-L193 HydrophobicContact CB-CD1 4.27Å; D191-L193 HydrophobicContact CB-CG 4.02Å; D191-L193 PolarHBondContact O-N 3.3Å; D191-L193 VanDerWaalsContact O-N 3.13Å; D191-L193 PolarHBondContact OD1-N 3.32Å; L193-R196 WeakPolarHBondContact O-CA 3.33Å; L193-R196 WeakPolarHBondContact O-CB 3.25Å; L193-R196 WeakPolarHBondContact O-CG 3.37Å; L193-R196 PolarHBondContact O-N 3.44Å; L193-S197 CarbonylContact C-O 3.47Å; L193-S197 PolarHBondContact O-N 3.16Å; L193-V240 HydrophobicContact CD1-CG2 3.86Å; L193-Y443 HydrophobicContact CD1-CE2 4.3Å; L193-Y443 HydrophobicContact CD2-CD2 4.09Å; L193-Y443 HydrophobicContact CD2-CE2 4.29Å
194	S	90	Very high	91.2	Very high	27 Å²	27	47 Å²	47	19%	0.189	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	137.1	178.8	-60.9	0	0	0	0	111.5	L192 M198 R461 L534	L192-S194 PolarHBondContact O-N 2.96Å; S194-M198 WeakPolarHBondContact OG-CG 3.3Å; S194-R461 PolarHBondContact O-NE 2.89Å; S194-L534 WeakPolarHBondContact OG-CD1 3.41Å
195	P	92.1	Very high	91	Very high	4 Å²	4	45.3 Å²	45.3	3%	0.026	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	cis	-97.5	19	2.2	36.2	-33	0	0	0	115.1	M198 G212 Y213 M529	P195-M198 HydrophobicContact CB-CE 4.15Å; P195-M198 HydrophobicContact CB-SD 4.45Å; P195-G212 VanDerWaalsContact O-CA 3.27Å; P195-G212 WeakPolarHBondContact O-CA 3.01Å; P195-Y213 HydrophobicContact CG-CD1 4.31Å; P195-Y213 HydrophobicContact CG-CE1 4.06Å; P195-Y213 WeakPolarHBondContact O-CD1 3.14Å; P195-Y213 PolarHBondContact O-N 2.86Å; P195-M529 HydrophobicContact CB-CG 4.01Å; P195-M529 HydrophobicContact CB-SD 3.73Å; P195-M529 HydrophobicContact CG-SD 4.24Å
196	R	91.9	Very high	90.6	Very high	32 Å²	32	44.2 Å²	44.2	12%	0.121	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-51.2	-176.6	-49.5	-161.7	161.5	146.7	1.1	111.5	L193 G212 Y213 V214 A215 D460	L193-R196 WeakPolarHBondContact O-CA 3.33Å; L193-R196 WeakPolarHBondContact O-CB 3.25Å; L193-R196 WeakPolarHBondContact O-CG 3.37Å; L193-R196 PolarHBondContact O-N 3.44Å; R196-G212 CarbonylContact O-C 3.5Å; R196-G212 VanDerWaalsContact O-C 3.31Å; R196-G212 WeakPolarHBondContact O-CA 3.39Å; R196-Y213 HydrophobicContact CB-CE1 4.19Å; R196-Y213 HydrophobicContact CG-CE1 3.81Å; R196-Y213 WeakPolarHBondContact CG-OH 3.42Å; R196-Y213 PolarHBondContact NE-OH 3.1Å; R196-Y213 PolarHBondContact O-N 3.05Å; R196-V214 HydrophobicContact CB-CB 4.34Å; R196-V214 HydrophobicContact CB-CG2 3.76Å; R196-V214 HydrophobicContact CG-CG2 4.45Å; R196-V214 WeakPolarHBondContact O-CB 3.38Å; R196-V214 PolarHBondContact O-N 3.41Å; R196-A215 PolarHBondContact O-N 2.7Å; R196-D460 IonicContact CZ-OD2 3.51Å; R196-D460 IonicContact NE-OD2 3.42Å; R196-D460 IonicContact NH2-OD2 3.2Å; R196-D460 PolarHBondContact NH2-OD2 3.47Å; R196-D460 VanDerWaalsContact NH2-OD2 3.12Å
197	S	91.9	Very high	90.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	-142.4	132.2	177.5	74.1	0	0	0	0	109	D191 L192 L193 T211	D191-S197 PolarHBondContact OD1-OG 3.26Å; L192-S197 CarbonylContact C-O 3.31Å; L192-S197 VanDerWaalsContact C-O 3.26Å; L192-S197 WeakPolarHBondContact CA-O 3.22Å; L192-S197 VanDerWaalsContact CA-OG 3.28Å; L192-S197 WeakPolarHBondContact CA-OG 3.06Å; L192-S197 PolarHBondContact N-OG 3.36Å; L193-S197 CarbonylContact C-O 3.47Å; L193-S197 PolarHBondContact O-N 3.16Å; S197-T211 CarbonylContact C-O 3.47Å; S197-T211 WeakPolarHBondContact CA-O 2.83Å
198	M	92.1	Very high	89.9	Confident	3 Å²	3	50 Å²	50	2%	0.015	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	127.1	-174.1	-65.8	176.3	-75.2	0	0	108.1	S194 P195 I210 T211 D528 M529 L532 L534	S194-M198 WeakPolarHBondContact OG-CG 3.3Å; P195-M198 HydrophobicContact CB-CE 4.15Å; P195-M198 HydrophobicContact CB-SD 4.45Å; M198-I210 CarbonylContact O-C 3.5Å; M198-I210 VanDerWaalsContact O-CA 3.27Å; M198-I210 WeakPolarHBondContact O-CA 3.27Å; M198-T211 HydrophobicContact CB-CG2 4.14Å; M198-T211 HydrophobicContact CE-CG2 4.3Å; M198-T211 PolarHBondContact N-O 3.11Å; M198-T211 PolarHBondContact O-N 3.49Å; M198-D528 HydrophobicContact CE-CB 3.89Å; M198-M529 HydrophobicContact CE-CG 4.37Å; M198-M529 HydrophobicContact SD-CB 4.34Å; M198-M529 HydrophobicContact SD-CG 3.51Å; M198-M529 VanDerWaalsContact SD-CG 3.51Å; M198-L532 HydrophobicContact CB-CD1 3.7Å; M198-L532 HydrophobicContact SD-CD1 4.22Å; M198-L534 HydrophobicContact CB-CD1 4.09Å; M198-L534 HydrophobicContact CG-CD1 3.77Å; M198-L534 HydrophobicContact SD-CD1 3.72Å
199	L	91.4	Very high	89.7	Confident	52 Å²	52	53.6 Å²	53.6	27%	0.272	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	136.1	-179.7	-167.1	68.4	0	0	0	110	L192 M208 I210 L231 V233	L192-L199 HydrophobicContact CD2-CB 3.89Å; L199-M208 HydrophobicContact CD1-CE 4.01Å; L199-M208 HydrophobicContact CD2-CE 3.3Å; L199-M208 HydrophobicContact CG-CE 3.49Å; L199-M208 VanDerWaalsContact CG-CE 3.49Å; L199-I210 HydrophobicContact CD1-CG2 3.71Å; L199-L231 HydrophobicContact CD1-CD2 4.18Å; L199-V233 HydrophobicContact CD1-CG2 4.19Å; L199-V233 HydrophobicContact CD2-CG1 4.25Å; L199-V233 HydrophobicContact CD2-CG2 4.29Å
200	Y	91.3	Very high	89.7	Confident	65 Å²	65	53.7 Å²	53.7	26%	0.255	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	155.5	174.9	76.8	-79.1	0	0	0	111.1	K209 T211 L532	Y200-K209 HydrophobicContact CD1-CB 4.25Å; Y200-K209 WeakPolarHBondContact CD1-O 3.33Å; Y200-K209 HydrophobicContact CE1-CB 3.64Å; Y200-K209 HydrophobicContact CE2-CB 4.3Å; Y200-K209 PolarHBondContact N-O 2.84Å; Y200-K209 PolarHBondContact O-N 3.01Å; Y200-T211 HydrophobicContact CD1-CG2 3.74Å; Y200-T211 HydrophobicContact CE1-CG2 3.96Å; Y200-L532 HydrophobicContact CG-CD2 4.14Å
201	M	90.6	Very high	89.8	Confident	128 Å²	128	54.6 Å²	54.6	63%	0.631	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	125.4	173.9	-166.2	175.9	-171.9	0	0	108.9	P203 G206 M208	M201-P203 WeakPolarHBondContact O-CD 3.32Å; M201-G206 WeakPolarHBondContact CE-O 3.26Å; M201-M208 HydrophobicContact CB-SD 4.27Å; M201-M208 HydrophobicContact CG-SD 4.43Å
202	D	88.3	Confident	90.1	Very high	20 Å²	20	54.5 Å²	54.5	11%	0.107	29%	0.287	C	S	.	.			trans	-67	118.7	176.9	-171.7	-21.1	0	0	0	109.3	K204 G206 D207 K209	D202-K204 PolarHBondContact O-N 3.01Å; D202-K204 VanDerWaalsContact O-N 3.17Å; D202-K204 WeakPolarHBondContact OD1-CB 3.18Å; D202-K204 PolarHBondContact OD1-N 3.44Å; D202-G206 VanDerWaalsContact O-CA 3.27Å; D202-G206 WeakPolarHBondContact O-CA 3.31Å; D202-G206 PolarHBondContact O-N 2.78Å; D202-D207 PolarHBondContact N-O 3.16Å; D202-K209 HydrophobicContact CB-CD 4Å; D202-K209 HydrophobicContact CB-CG 4.38Å; D202-K209 WeakPolarHBondContact OD2-CE 3.39Å; D202-K209 IonicContact OD2-NZ 3.22Å; D202-K209 PolarHBondContact OD2-NZ 3Å
203	P	86.6	Confident	90.4	Very high	111 Å²	111	52 Å²	52	72%	0.721	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-18.9	-179.8	27.1	-35.7	0	0	0	113.4	M201	M201-P203 WeakPolarHBondContact O-CD 3.32Å
204	K	89.8	Confident	90.7	Very high	191 Å²	191	50.2 Å²	50.2	83%	0.83	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-46	-179.3	-66.7	-177.5	179	179.9	0	112.8	D202	D202-K204 PolarHBondContact O-N 3.01Å; D202-K204 VanDerWaalsContact O-N 3.17Å; D202-K204 WeakPolarHBondContact OD1-CB 3.18Å; D202-K204 PolarHBondContact OD1-N 3.44Å
205	T	88	Confident	91	Very high	76 Å²	76	48.9 Å²	48.9	47%	0.466	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-21.3	-175.3	70.5	0	0	0	0	113	D207	T205-D207 WeakPolarHBondContact CB-OD2 3.48Å; T205-D207 PolarHBondContact O-N 2.78Å; T205-D207 WeakPolarHBondContact OG1-CB 3.15Å; T205-D207 VanDerWaalsContact OG1-CG 3.31Å; T205-D207 PolarHBondContact OG1-N 3.19Å; T205-D207 PolarHBondContact OG1-OD2 3.45Å
206	G	85.8	Confident	91.2	Very high	37 Å²	37	50 Å²	50	38%	0.381	26%	0.261	S	S	.	.			trans	77.3	1.4	-172	0	0	0	0	0	113.7	M201 D202	M201-G206 WeakPolarHBondContact CE-O 3.26Å; D202-G206 VanDerWaalsContact O-CA 3.27Å; D202-G206 WeakPolarHBondContact O-CA 3.31Å; D202-G206 PolarHBondContact O-N 2.78Å
207	D	87.6	Confident	91.4	Very high	91 Å²	91	48.5 Å²	48.5	49%	0.487	26%	0.255	S	S	.	.			trans	-80.2	148.8	-178.6	-56.4	-46.2	0	0	0	111.7	D202 T205 K209	D202-D207 PolarHBondContact N-O 3.16Å; T205-D207 WeakPolarHBondContact CB-OD2 3.48Å; T205-D207 PolarHBondContact O-N 2.78Å; T205-D207 WeakPolarHBondContact OG1-CB 3.15Å; T205-D207 VanDerWaalsContact OG1-CG 3.31Å; T205-D207 PolarHBondContact OG1-N 3.19Å; T205-D207 PolarHBondContact OG1-OD2 3.45Å; D207-K209 PolarHBondContact O-N 3.41Å
208	M	87.3	Confident	91.7	Very high	112 Å²	112	48.5 Å²	48.5	55%	0.552	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	117.3	171.1	-66.6	-64.6	-73.3	0	0	109.3	L199 M201	L199-M208 HydrophobicContact CD1-CE 4.01Å; L199-M208 HydrophobicContact CD2-CE 3.3Å; L199-M208 HydrophobicContact CG-CE 3.49Å; L199-M208 VanDerWaalsContact CG-CE 3.49Å; M201-M208 HydrophobicContact CB-SD 4.27Å; M201-M208 HydrophobicContact CG-SD 4.43Å
209	K	91.1	Very high	91.8	Very high	77 Å²	77	50 Å²	50	34%	0.335	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	164.3	179	-68.5	-170	-179	172.5	0	110.8	Y200 D202 D207	Y200-K209 HydrophobicContact CD1-CB 4.25Å; Y200-K209 WeakPolarHBondContact CD1-O 3.33Å; Y200-K209 HydrophobicContact CE1-CB 3.64Å; Y200-K209 HydrophobicContact CE2-CB 4.3Å; Y200-K209 PolarHBondContact N-O 2.84Å; Y200-K209 PolarHBondContact O-N 3.01Å; D202-K209 HydrophobicContact CB-CD 4Å; D202-K209 HydrophobicContact CB-CG 4.38Å; D202-K209 WeakPolarHBondContact OD2-CE 3.39Å; D202-K209 IonicContact OD2-NZ 3.22Å; D202-K209 PolarHBondContact OD2-NZ 3Å; D207-K209 PolarHBondContact O-N 3.41Å
210	I	92.2	Very high	92.1	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.021	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	146.6	176.4	51.1	168.5	0	0	0	110.5	M198 L199 A215 N219 L229 L231 I256	M198-I210 CarbonylContact O-C 3.5Å; M198-I210 VanDerWaalsContact O-CA 3.27Å; M198-I210 WeakPolarHBondContact O-CA 3.27Å; L199-I210 HydrophobicContact CD1-CG2 3.71Å; I210-A215 HydrophobicContact CB-CB 4.08Å; I210-A215 HydrophobicContact CD1-CB 3.94Å; I210-A215 HydrophobicContact CG1-CB 4.1Å; I210-N219 PolarHBondContact O-ND2 2.66Å; I210-L229 HydrophobicContact CD1-CD2 4.11Å; I210-L231 HydrophobicContact CB-CD2 4.47Å; I210-L231 HydrophobicContact CD1-CD1 3.94Å; I210-L231 HydrophobicContact CD1-CD2 4.44Å; I210-L231 HydrophobicContact CG1-CD2 4.29Å; I210-L231 HydrophobicContact CG2-CD1 4.35Å; I210-L231 HydrophobicContact CG2-CD2 3.48Å; I210-L231 VanDerWaalsContact CG2-CD2 3.48Å; I210-I256 HydrophobicContact CD1-CD1 3.14Å; I210-I256 HydrophobicContact CD1-CG1 4.49Å; I210-I256 HydrophobicContact CD1-CG2 4.42Å
211	T	93.6	Very high	92.4	Very high	20 Å²	20	46.1 Å²	46.1	12%	0.123	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	172.5	174.8	-171.1	0	0	0	0	109.7	S197 M198 Y200 A215 L532	S197-T211 CarbonylContact C-O 3.47Å; S197-T211 WeakPolarHBondContact CA-O 2.83Å; M198-T211 HydrophobicContact CB-CG2 4.14Å; M198-T211 HydrophobicContact CE-CG2 4.3Å; M198-T211 PolarHBondContact N-O 3.11Å; M198-T211 PolarHBondContact O-N 3.49Å; Y200-T211 HydrophobicContact CD1-CG2 3.74Å; Y200-T211 HydrophobicContact CE1-CG2 3.96Å; T211-A215 WeakPolarHBondContact O-CB 3.36Å; T211-L532 HydrophobicContact CG2-CD1 3.81Å
212	G	93.9	Very high	92.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	117	164.2	-172.4	0	0	0	0	0	111	P195 R196 V214 A215 N216	P195-G212 VanDerWaalsContact O-CA 3.27Å; P195-G212 WeakPolarHBondContact O-CA 3.01Å; R196-G212 CarbonylContact O-C 3.5Å; R196-G212 VanDerWaalsContact O-C 3.31Å; R196-G212 WeakPolarHBondContact O-CA 3.39Å; G212-V214 VanDerWaalsContact C-N 3.3Å; G212-V214 PolarHBondContact O-N 3.03Å; G212-A215 PolarHBondContact O-N 3.12Å; G212-N216 VanDerWaalsContact O-CB 3.24Å; G212-N216 WeakPolarHBondContact O-CB 3.38Å; G212-N216 PolarHBondContact O-N 3.06Å; G212-N216 PolarHBondContact O-ND2 3.3Å; G212-N216 PolarHBondContact O-OD1 3.02Å
213	Y	94.6	Very high	93	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.016	25%	0.248	C	C	.	.	H	α-helix	trans	-67.7	-28.6	-167.6	68.4	-97.9	0	0	0	113.6	P195 R196 L258 Y274 I275 D460 M522	P195-Y213 HydrophobicContact CG-CD1 4.31Å; P195-Y213 HydrophobicContact CG-CE1 4.06Å; P195-Y213 WeakPolarHBondContact O-CD1 3.14Å; P195-Y213 PolarHBondContact O-N 2.86Å; R196-Y213 HydrophobicContact CB-CE1 4.19Å; R196-Y213 HydrophobicContact CG-CE1 3.81Å; R196-Y213 WeakPolarHBondContact CG-OH 3.42Å; R196-Y213 PolarHBondContact NE-OH 3.1Å; R196-Y213 PolarHBondContact O-N 3.05Å; Y213-L258 HydrophobicContact CE2-CD1 3.78Å; Y213-Y274 AromaticContact CD2-CE1 3.91Å; Y213-Y274 HydrophobicContact CD2-CE1 3.91Å; Y213-Y274 HydrophobicContact CE2-CE1 4.16Å; Y213-Y274 PolarHBondContact O-OH 3.45Å; Y213-Y274 VanDerWaalsContact O-OH 3.05Å; Y213-I275 HydrophobicContact CD2-CD1 3.87Å; Y213-I275 HydrophobicContact CE2-CD1 3.27Å; Y213-D460 PolarHBondContact OH-OD2 3.12Å; Y213-D460 VanDerWaalsContact OH-OD2 3.11Å; Y213-M522 HydrophobicContact CD1-CG 4.17Å; Y213-M522 HydrophobicContact CD2-CG 4.21Å; Y213-M522 HydrophobicContact CG-CG 3.89Å
214	V	95.6	Very high	93.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-84.3	-40.3	173.8	-172.6	0	0	0	0	110.8	R196 G212 N216 L217 V218 I256 L258 Y274	R196-V214 HydrophobicContact CB-CB 4.34Å; R196-V214 HydrophobicContact CB-CG2 3.76Å; R196-V214 HydrophobicContact CG-CG2 4.45Å; R196-V214 WeakPolarHBondContact O-CB 3.38Å; R196-V214 PolarHBondContact O-N 3.41Å; G212-V214 VanDerWaalsContact C-N 3.3Å; G212-V214 PolarHBondContact O-N 3.03Å; V214-N216 VanDerWaalsContact C-N 3.32Å; V214-N216 PolarHBondContact O-N 3.44Å; V214-L217 WeakPolarHBondContact O-CB 3.16Å; V214-L217 PolarHBondContact O-N 3.35Å; V214-V218 PolarHBondContact O-N 3.27Å; V214-I256 HydrophobicContact CB-CG2 4.43Å; V214-I256 HydrophobicContact CG1-CG2 4.03Å; V214-L258 HydrophobicContact CG1-CD2 4.49Å; V214-L258 HydrophobicContact CG2-CD1 3.71Å; V214-L258 HydrophobicContact CG2-CD2 4.21Å; V214-L258 HydrophobicContact CG2-CG 3.78Å; V214-Y274 HydrophobicContact CG2-CE1 4.23Å
215	A	95.4	Very high	93.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.4	-42.8	176.1	0	0	0	0	0	111.7	R196 I210 T211 G212 L217 V218 N219 I256	R196-A215 PolarHBondContact O-N 2.7Å; I210-A215 HydrophobicContact CB-CB 4.08Å; I210-A215 HydrophobicContact CD1-CB 3.94Å; I210-A215 HydrophobicContact CG1-CB 4.1Å; T211-A215 WeakPolarHBondContact O-CB 3.36Å; G212-A215 PolarHBondContact O-N 3.12Å; A215-L217 VanDerWaalsContact C-N 3.31Å; A215-L217 PolarHBondContact O-N 2.88Å; A215-V218 PolarHBondContact O-N 2.78Å; A215-V218 VanDerWaalsContact O-N 3.16Å; A215-N219 WeakPolarHBondContact O-CB 3.08Å; A215-N219 PolarHBondContact O-N 2.79Å; A215-N219 PolarHBondContact O-ND2 3.45Å; A215-I256 HydrophobicContact CB-CG2 4.11Å
216	N	96.3	Very high	94.2	Very high	27 Å²	27	37.8 Å²	37.8	14%	0.144	20%	0.195	C	C	.	.	H	α-helix	trans	-64.9	-34.4	178.9	-68.8	-10.3	0	0	0	112.2	G212 V214 V218 T220 W521	G212-N216 VanDerWaalsContact O-CB 3.24Å; G212-N216 WeakPolarHBondContact O-CB 3.38Å; G212-N216 PolarHBondContact O-N 3.06Å; G212-N216 PolarHBondContact O-ND2 3.3Å; G212-N216 PolarHBondContact O-OD1 3.02Å; V214-N216 VanDerWaalsContact C-N 3.32Å; V214-N216 PolarHBondContact O-N 3.44Å; N216-V218 VanDerWaalsContact C-N 3.33Å; N216-V218 PolarHBondContact O-N 3.43Å; N216-T220 WeakPolarHBondContact O-CB 3.48Å; N216-T220 VanDerWaalsContact O-CG2 3.24Å; N216-T220 WeakPolarHBondContact O-CG2 3.31Å; N216-T220 PolarHBondContact O-N 3.43Å; N216-T220 PolarHBondContact O-OG1 3.06Å; N216-W521 HydrophobicContact CB-CD2 3.62Å; N216-W521 HydrophobicContact CB-CE3 3.79Å; N216-W521 HydrophobicContact CB-CG 4.19Å; N216-W521 HydrophobicContact CB-CH2 4.01Å; N216-W521 HydrophobicContact CB-CZ2 3.83Å; N216-W521 HydrophobicContact CB-CZ3 3.98Å
217	L	97	Very high	94.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-57.7	-46.9	172.4	172.3	67.5	0	0	0	111.2	V214 A215 T220 F221 Y274 V493 F505 H508 M509 Q512 W521	V214-L217 WeakPolarHBondContact O-CB 3.16Å; V214-L217 PolarHBondContact O-N 3.35Å; A215-L217 VanDerWaalsContact C-N 3.31Å; A215-L217 PolarHBondContact O-N 2.88Å; L217-T220 PolarHBondContact O-OG1 3.08Å; L217-T220 VanDerWaalsContact O-OG1 3.07Å; L217-F221 WeakPolarHBondContact O-CB 3.5Å; L217-F221 PolarHBondContact O-N 3.12Å; L217-F221 VanDerWaalsContact O-N 3.12Å; L217-Y274 HydrophobicContact CD1-CE2 4.42Å; L217-Y274 HydrophobicContact CD2-CD2 3.99Å; L217-Y274 HydrophobicContact CD2-CE1 4.33Å; L217-Y274 HydrophobicContact CD2-CE2 3.75Å; L217-Y274 HydrophobicContact CD2-CG 4.38Å; L217-V493 HydrophobicContact CD2-CG2 4.05Å; L217-F505 HydrophobicContact CD2-CZ 3.92Å; L217-F505 HydrophobicContact CG-CE2 4.38Å; L217-F505 HydrophobicContact CG-CZ 4.2Å; L217-H508 PolarHBondContact O-NE2 2.62Å; L217-M509 HydrophobicContact CD1-CB 3.98Å; L217-M509 HydrophobicContact CD1-CG 4.16Å; L217-M509 HydrophobicContact CD2-CB 4.49Å; L217-M509 HydrophobicContact CD2-CG 4.07Å; L217-M509 HydrophobicContact CD2-SD 4.18Å; L217-Q512 HydrophobicContact CD1-CB 4.39Å; L217-Q512 HydrophobicContact CD1-CG 3.88Å; L217-W521 HydrophobicContact CB-CZ3 4.31Å
218	V	96.6	Very high	94.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-75.8	-40.4	-177.6	-179.1	0	0	0	0	111.8	V214 A215 N216 F221 A222 L229 I254 I256 F505	V214-V218 PolarHBondContact O-N 3.27Å; A215-V218 PolarHBondContact O-N 2.78Å; A215-V218 VanDerWaalsContact O-N 3.16Å; N216-V218 VanDerWaalsContact C-N 3.33Å; N216-V218 PolarHBondContact O-N 3.43Å; V218-F221 WeakPolarHBondContact O-CB 3.4Å; V218-F221 PolarHBondContact O-N 3.45Å; V218-A222 PolarHBondContact O-N 3.01Å; V218-L229 HydrophobicContact CG1-CD1 3.88Å; V218-I254 HydrophobicContact CG1-CG2 4.4Å; V218-I254 HydrophobicContact CG2-CG2 3.97Å; V218-I256 HydrophobicContact CB-CD1 4.21Å; V218-I256 HydrophobicContact CB-CG1 4.3Å; V218-I256 HydrophobicContact CG1-CD1 4.04Å; V218-I256 HydrophobicContact CG1-CG1 4.22Å; V218-I256 HydrophobicContact CG2-CG1 4.11Å; V218-F505 HydrophobicContact CG2-CE2 4.22Å; V218-F505 HydrophobicContact CG2-CZ 4.3Å
219	N	95.7	Very high	95.2	Very high	36 Å²	36	32.8 Å²	32.8	19%	0.193	17%	0.166	C	C	.	.	H	α-helix	trans	-58.3	-50.7	175.3	-70	-21.6	0	0	0	111.1	I210 A215 F221 A222 E223 L229	I210-N219 PolarHBondContact O-ND2 2.66Å; A215-N219 WeakPolarHBondContact O-CB 3.08Å; A215-N219 PolarHBondContact O-N 2.79Å; A215-N219 PolarHBondContact O-ND2 3.45Å; N219-F221 VanDerWaalsContact C-N 3.25Å; N219-F221 PolarHBondContact O-N 2.79Å; N219-A222 PolarHBondContact O-N 3.38Å; N219-E223 WeakPolarHBondContact O-CG 3.25Å; N219-E223 PolarHBondContact O-N 3.04Å; N219-L229 WeakPolarHBondContact OD1-CD2 3.44Å
220	T	96.9	Very high	95.3	Very high	34 Å²	34	34.5 Å²	34.5	21%	0.209	18%	0.175	C	C	.	.	H	α-helix	trans	-67.1	-28.2	179.2	55.5	0	0	0	0	112.4	N216 L217 R224 H508 W521	N216-T220 WeakPolarHBondContact O-CB 3.48Å; N216-T220 VanDerWaalsContact O-CG2 3.24Å; N216-T220 WeakPolarHBondContact O-CG2 3.31Å; N216-T220 PolarHBondContact O-N 3.43Å; N216-T220 PolarHBondContact O-OG1 3.06Å; L217-T220 PolarHBondContact O-OG1 3.08Å; L217-T220 VanDerWaalsContact O-OG1 3.07Å; T220-R224 VanDerWaalsContact O-CB 3.31Å; T220-R224 WeakPolarHBondContact O-CB 3.26Å; T220-R224 PolarHBondContact O-N 3.27Å; T220-H508 PolarHBondContact OG1-CE1 2.87Å; T220-H508 PolarHBondContact OG1-NE2 3.48Å; T220-H508 VanDerWaalsContact OG1-NE2 3.08Å; T220-W521 HydrophobicContact CG2-CH2 4.13Å; T220-W521 HydrophobicContact CG2-CZ2 4.03Å
221	F	97.4	Very high	94.9	Very high	1 Å²	1	36.5 Å²	36.5	0%	0.004	19%	0.186	C	C	.	.	H	α-helix	trans	-66.3	-50.2	171.8	179.8	-108.7	0	0	0	111	I186 L217 V218 N219 E223 R224 V225 I254 Y501 L504 F505 H508	I186-F221 HydrophobicContact CD1-CD1 4.11Å; I186-F221 HydrophobicContact CD1-CE1 4Å; L217-F221 WeakPolarHBondContact O-CB 3.5Å; L217-F221 PolarHBondContact O-N 3.12Å; L217-F221 VanDerWaalsContact O-N 3.12Å; V218-F221 WeakPolarHBondContact O-CB 3.4Å; V218-F221 PolarHBondContact O-N 3.45Å; N219-F221 VanDerWaalsContact C-N 3.25Å; N219-F221 PolarHBondContact O-N 2.79Å; F221-E223 VanDerWaalsContact C-N 3.29Å; F221-E223 PolarHBondContact O-N 2.99Å; F221-R224 WeakPolarHBondContact O-CB 3.36Å; F221-R224 PolarHBondContact O-N 3.27Å; F221-V225 HydrophobicContact CD1-CG2 4.48Å; F221-V225 HydrophobicContact CD2-CG1 4.43Å; F221-V225 HydrophobicContact CE1-CG2 4.18Å; F221-V225 HydrophobicContact CE2-CG1 3.83Å; F221-V225 HydrophobicContact CZ-CG1 3.88Å; F221-V225 HydrophobicContact CZ-CG2 4.35Å; F221-V225 WeakPolarHBondContact O-CG2 3.38Å; F221-V225 PolarHBondContact O-N 3.38Å; F221-I254 HydrophobicContact CD1-CD1 4.37Å; F221-I254 HydrophobicContact CE1-CD1 4.45Å; F221-Y501 AromaticContact CE1-CD2 3.76Å; F221-Y501 HydrophobicContact CE1-CD2 3.76Å; F221-Y501 AromaticContact CE1-CE2 3.8Å; F221-Y501 HydrophobicContact CE1-CE2 3.8Å; F221-Y501 AromaticContact CZ-CD2 3.75Å; F221-Y501 HydrophobicContact CZ-CD2 3.75Å; F221-Y501 HydrophobicContact CZ-CE2 4.28Å; F221-L504 HydrophobicContact CE2-CB 4.04Å; F221-L504 HydrophobicContact CZ-CB 4.25Å; F221-F505 HydrophobicContact CB-CD2 4.18Å; F221-F505 HydrophobicContact CB-CE2 4.3Å; F221-F505 AromaticContact CD1-CD2 3.72Å; F221-F505 HydrophobicContact CD1-CD2 3.72Å; F221-F505 HydrophobicContact CD1-CE2 4.38Å; F221-F505 AromaticContact CD2-CD2 3.97Å; F221-F505 HydrophobicContact CD2-CD2 3.97Å; F221-F505 HydrophobicContact CE1-CB 4.39Å; F221-F505 HydrophobicContact CE1-CD2 4.06Å; F221-F505 HydrophobicContact CE2-CB 4.08Å; F221-F505 HydrophobicContact CE2-CD2 4.3Å; F221-F505 AromaticContact CG-CD2 3.67Å; F221-F505 HydrophobicContact CG-CD2 3.67Å; F221-F505 HydrophobicContact CG-CE2 4.26Å; F221-F505 HydrophobicContact CZ-CB 4Å; F221-F505 HydrophobicContact CZ-CD2 4.34Å; F221-H508 HydrophobicContact CD2-CB 3.78Å; F221-H508 AromaticContact CD2-CD2 3.92Å; F221-H508 AromaticContact CD2-CG 3.83Å; F221-H508 HydrophobicContact CE2-CB 4.34Å; F221-H508 PolarHBondContact N-NE2 3.08Å
222	A	96.9	Very high	94.4	Very high	5 Å²	5	39.7 Å²	39.7	4%	0.041	20%	0.202	C	C	.	.	H	α-helix	trans	-57.8	-41.9	178	0	0	0	0	0	111.8	I186 V218 N219 N226 A227	I186-A222 HydrophobicContact CD1-CB 4.37Å; V218-A222 PolarHBondContact O-N 3.01Å; N219-A222 PolarHBondContact O-N 3.38Å; A222-N226 PolarHBondContact O-N 2.9Å; A222-N226 VanDerWaalsContact O-N 3.14Å; A222-A227 PolarHBondContact O-N 3.31Å
223	E	95.7	Very high	93.5	Very high	147 Å²	147	42.5 Å²	42.5	69%	0.687	22%	0.219	S	C	*	.	H	α-helix	trans	-61.2	-45	173.4	-71.4	174.9	-177.5	0	0	112.1	N219 F221 V225 N226	N219-E223 WeakPolarHBondContact O-CG 3.25Å; N219-E223 PolarHBondContact O-N 3.04Å; F221-E223 VanDerWaalsContact C-N 3.29Å; F221-E223 PolarHBondContact O-N 2.99Å; E223-V225 PolarHBondContact O-N 3.09Å; E223-N226 PolarHBondContact O-N 2.94Å
224	R	96	Very high	92.6	Very high	110 Å²	110	43.2 Å²	43.2	42%	0.415	22%	0.223	S	C	.	.	H	α-helix	trans	-61.4	-41.1	-179.8	175.7	-178.9	180	156.2	1.7	112.9	T220 F221 N226 E507 H508	T220-R224 VanDerWaalsContact O-CB 3.31Å; T220-R224 WeakPolarHBondContact O-CB 3.26Å; T220-R224 PolarHBondContact O-N 3.27Å; F221-R224 WeakPolarHBondContact O-CB 3.36Å; F221-R224 PolarHBondContact O-N 3.27Å; R224-N226 VanDerWaalsContact C-N 3.31Å; R224-E507 IonicContact NH2-OE1 3.97Å; R224-H508 WeakPolarHBondContact CD-ND1 3.34Å; R224-H508 PolarHBondContact NH1-ND1 3.05Å; R224-H508 VanDerWaalsContact NH1-ND1 3.2Å
225	V	96	Very high	91	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.024	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	9.1	180	-60.8	0	0	0	0	113	F178 N180 M181 I186 F221 E223 A227	F178-V225 WeakPolarHBondContact O-CB 3.12Å; F178-V225 VanDerWaalsContact O-CG1 3.32Å; F178-V225 WeakPolarHBondContact O-CG1 3.34Å; N180-V225 CarbonylContact C-O 3.56Å; N180-V225 WeakPolarHBondContact CA-O 3.37Å; M181-V225 HydrophobicContact CG-CB 4.41Å; M181-V225 HydrophobicContact CG-CG2 4.33Å; M181-V225 PolarHBondContact N-O 2.57Å; M181-V225 HydrophobicContact SD-CB 4.46Å; M181-V225 HydrophobicContact SD-CG2 3.84Å; I186-V225 HydrophobicContact CD1-CG2 4.17Å; F221-V225 HydrophobicContact CD1-CG2 4.48Å; F221-V225 HydrophobicContact CD2-CG1 4.43Å; F221-V225 HydrophobicContact CE1-CG2 4.18Å; F221-V225 HydrophobicContact CE2-CG1 3.83Å; F221-V225 HydrophobicContact CZ-CG1 3.88Å; F221-V225 HydrophobicContact CZ-CG2 4.35Å; F221-V225 WeakPolarHBondContact O-CG2 3.38Å; F221-V225 PolarHBondContact O-N 3.38Å; E223-V225 PolarHBondContact O-N 3.09Å; V225-A227 VanDerWaalsContact C-N 3.31Å; V225-A227 HydrophobicContact CG2-CB 3.76Å; V225-A227 PolarHBondContact O-N 2.99Å
226	N	96.3	Very high	89.2	Confident	85 Å²	85	54.4 Å²	54.4	46%	0.455	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	51	-176.7	-173.2	34.7	0	0	0	112	N180 Y182 G183 A222 E223 R224	N180-N226 WeakPolarHBondContact OD1-CB 3.5Å; N180-N226 PolarHBondContact OD1-ND2 3.41Å; Y182-N226 PolarHBondContact N-O 3.11Å; G183-N226 PolarHBondContact N-O 3.19Å; A222-N226 PolarHBondContact O-N 2.9Å; A222-N226 VanDerWaalsContact O-N 3.14Å; E223-N226 PolarHBondContact O-N 2.94Å; R224-N226 VanDerWaalsContact C-N 3.31Å
227	A	95.7	Very high	87.3	Confident	16 Å²	16	60 Å²	60	13%	0.132	31%	0.314	C	S	.	.			trans	-110.9	158.3	177.3	0	0	0	0	0	111	M181 K184 I186 A222 V225	M181-A227 HydrophobicContact CB-CB 3.97Å; M181-A227 HydrophobicContact CE-CB 4.3Å; M181-A227 HydrophobicContact CG-CB 4.31Å; M181-A227 HydrophobicContact SD-CB 3.7Å; K184-A227 WeakPolarHBondContact O-CA 3.48Å; K184-A227 WeakPolarHBondContact O-CB 2.95Å; I186-A227 HydrophobicContact CD1-CB 3.61Å; I186-A227 HydrophobicContact CG1-CB 3.88Å; A222-A227 PolarHBondContact O-N 3.31Å; V225-A227 VanDerWaalsContact C-N 3.31Å; V225-A227 HydrophobicContact CG2-CB 3.76Å; V225-A227 PolarHBondContact O-N 2.99Å
228	T	93.8	Very high	85.5	Confident	70 Å²	70	65.6 Å²	65.6	43%	0.429	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	143.1	168.7	52.5	0	0	0	0	109.5	G183 K184 P185 I186	G183-T228 VanDerWaalsContact O-CG2 3.25Å; G183-T228 WeakPolarHBondContact O-CG2 3.33Å; G183-T228 PolarHBondContact O-OG1 2.95Å; K184-T228 PolarHBondContact O-N 3Å; K184-T228 PolarHBondContact O-OG1 2.93Å; P185-T228 CarbonylContact C-O 3.54Å; P185-T228 VanDerWaalsContact CA-O 3.25Å; P185-T228 WeakPolarHBondContact CA-O 3.38Å; P185-T228 WeakPolarHBondContact CA-OG1 3.37Å; I186-T228 PolarHBondContact N-O 3.25Å
229	L	92.8	Very high	84.5	Confident	48 Å²	48	67 Å²	67	25%	0.251	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	110.8	176.1	-168.6	69.9	0	0	0	108.9	I186 A188 I210 V218 N219 L231 I256	I186-L229 HydrophobicContact CB-CD1 4.37Å; I186-L229 HydrophobicContact CG2-CD1 4.34Å; A188-L229 HydrophobicContact CB-CD1 3.57Å; A188-L229 HydrophobicContact CB-CG 4.28Å; I210-L229 HydrophobicContact CD1-CD2 4.11Å; V218-L229 HydrophobicContact CG1-CD1 3.88Å; N219-L229 WeakPolarHBondContact OD1-CD2 3.44Å; L229-L231 PolarHBondContact O-N 2.78Å; L229-I256 HydrophobicContact CD2-CD1 4.35Å
230	E	92.3	Very high	83.7	Confident	113 Å²	113	66.5 Å²	66.5	53%	0.528	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	92.8	172.3	-173.4	177.9	-175.8	0	0	108.1	P185 I186 A188	P185-E230 HydrophobicContact CB-CB 3.96Å; I186-E230 PolarHBondContact O-N 3.47Å; A188-E230 PolarHBondContact N-O 2.74Å; A188-E230 VanDerWaalsContact O-O 3.14Å
231	L	85.5	Confident	82.9	Confident	47 Å²	47	70.9 Å²	70.9	25%	0.246	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	118.5	-177.4	-178.1	71	0	0	0	110.8	A188 A190 L199 I210 L229 V233 I256	A188-L231 WeakPolarHBondContact O-CA 3.44Å; A190-L231 HydrophobicContact CB-CD1 4.29Å; L199-L231 HydrophobicContact CD1-CD2 4.18Å; I210-L231 HydrophobicContact CB-CD2 4.47Å; I210-L231 HydrophobicContact CD1-CD1 3.94Å; I210-L231 HydrophobicContact CD1-CD2 4.44Å; I210-L231 HydrophobicContact CG1-CD2 4.29Å; I210-L231 HydrophobicContact CG2-CD1 4.35Å; I210-L231 HydrophobicContact CG2-CD2 3.48Å; I210-L231 VanDerWaalsContact CG2-CD2 3.48Å; L229-L231 PolarHBondContact O-N 2.78Å; L231-V233 HydrophobicContact CD2-CG2 4.32Å; L231-V233 HydrophobicContact CG-CG2 4.35Å; L231-I256 HydrophobicContact CD1-CD1 4.26Å
232	D	82.3	Confident	82.3	Confident	86 Å²	86	73 Å²	73	46%	0.46	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	141	166.1	-174.7	19.4	0	0	0	110.7	A188 V189	A188-D232 PolarHBondContact O-N 2.99Å; V189-D232 HydrophobicContact CG2-CB 3.92Å
233	V	74.9	Confident	81.9	Confident	60 Å²	60	72.8 Å²	72.8	36%	0.364	37%	0.368	S	S	.	.			trans	-115.2	108.7	-174.1	179.9	0	0	0	0	109.7	L192 L199 L231	L192-V233 HydrophobicContact CD1-CG1 3.8Å; L199-V233 HydrophobicContact CD1-CG2 4.19Å; L199-V233 HydrophobicContact CD2-CG1 4.25Å; L199-V233 HydrophobicContact CD2-CG2 4.29Å; L231-V233 HydrophobicContact CD2-CG2 4.32Å; L231-V233 HydrophobicContact CG-CG2 4.35Å
234	L	75.2	Confident	81.4	Confident	18 Å²	18	66.1 Å²	66.1	9%	0.094	34%	0.337	C	S	.	.			trans	-84.5	118.6	178.5	-62.1	178.9	0	0	0	111.2	V189 K236 I239 Q242 I243 M246	V189-L234 HydrophobicContact CG1-CD1 3.59Å; V189-L234 HydrophobicContact CG1-CG 3.69Å; L234-K236 VanDerWaalsContact C-N 3.31Å; L234-K236 PolarHBondContact O-N 2.79Å; L234-I239 HydrophobicContact CB-CG1 4.19Å; L234-I239 WeakPolarHBondContact O-CG1 3.37Å; L234-Q242 HydrophobicContact CD1-CB 4.16Å; L234-Q242 HydrophobicContact CD1-CG 3.89Å; L234-I243 HydrophobicContact CD1-CG1 4.2Å; L234-M246 HydrophobicContact CD1-SD 3.94Å; L234-M246 HydrophobicContact CD2-SD 4.41Å
235	A	62.6	Low	81	Confident	104 Å²	104	64.9 Å²	64.9	86%	0.86	34%	0.339	S	S	*	.			trans	-85.6	18.1	178.9	0	0	0	0	0	114.9
236	K	57.4	Low	80.7	Confident	131 Å²	131	66 Å²	66	57%	0.57	34%	0.344	S	S	*	.	S	Bend	trans	-103.6	153.4	-161.8	-68.1	-171.7	-175	171.3	0	115.4	L234 F238 I239	L234-K236 VanDerWaalsContact C-N 3.31Å; L234-K236 PolarHBondContact O-N 2.79Å; K236-F238 PolarHBondContact O-N 3.16Å; K236-I239 WeakPolarHBondContact O-CD1 3.39Å; K236-I239 WeakPolarHBondContact O-CG1 3.27Å; K236-I239 PolarHBondContact O-N 3.39Å
237	K	56.1	Low	80.4	Confident	144 Å²	144	61.9 Å²	61.9	63%	0.626	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-19.8	178.1	-63.6	-176	177.8	-173	0	115.9	N438	K237-N438 PolarHBondContact O-OD1 2.97Å
238	F	59.8	Low	80	Confident	118 Å²	118	65.9 Å²	65.9	52%	0.518	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.2	41.6	-177.6	-60.5	-74.4	0	0	0	112.8	K236 V240 K241 Q242	K236-F238 PolarHBondContact O-N 3.16Å; F238-V240 VanDerWaalsContact C-N 3.31Å; F238-V240 PolarHBondContact O-N 3.31Å; F238-K241 HydrophobicContact CB-CB 4.41Å; F238-K241 PolarHBondContact O-N 3.46Å; F238-Q242 WeakPolarHBondContact O-CB 3.37Å; F238-Q242 PolarHBondContact O-N 3.36Å
239	I	74.5	Confident	79.8	Confident	29 Å²	29	67.6 Å²	67.6	15%	0.149	35%	0.347	C	S	.	.	H	α-helix	trans	-46.4	-51.9	-175.8	-75.2	139.8	0	0	0	112.3	D191 L234 K236 K241 Q242 I243	D191-I239 VanDerWaalsContact CA-CG2 3.47Å; D191-I239 HydrophobicContact CB-CG2 4.12Å; L234-I239 HydrophobicContact CB-CG1 4.19Å; L234-I239 WeakPolarHBondContact O-CG1 3.37Å; K236-I239 WeakPolarHBondContact O-CD1 3.39Å; K236-I239 WeakPolarHBondContact O-CG1 3.27Å; K236-I239 PolarHBondContact O-N 3.39Å; I239-K241 PolarHBondContact O-N 3.04Å; I239-Q242 PolarHBondContact O-N 3.5Å; I239-I243 HydrophobicContact CG2-CD1 3.72Å; I239-I243 HydrophobicContact CG2-CG1 4.38Å; I239-I243 WeakPolarHBondContact O-CG1 3.33Å; I239-I243 PolarHBondContact O-N 2.8Å
240	V	79.2	Confident	79.5	Confident	26 Å²	26	69 Å²	69	16%	0.158	35%	0.353	C	S	.	.	H	α-helix	trans	-60	-50.6	-176.8	176.5	0	0	0	0	111.6	D191 L193 F238 Q242 I243 F244	D191-V240 HydrophobicContact CB-CG2 4.23Å; L193-V240 HydrophobicContact CD1-CG2 3.86Å; F238-V240 VanDerWaalsContact C-N 3.31Å; F238-V240 PolarHBondContact O-N 3.31Å; V240-Q242 VanDerWaalsContact C-N 3.28Å; V240-Q242 PolarHBondContact O-N 2.79Å; V240-I243 PolarHBondContact O-N 3.07Å; V240-F244 HydrophobicContact CG1-CD2 4.12Å; V240-F244 HydrophobicContact CG1-CE2 3.51Å; V240-F244 WeakPolarHBondContact O-CD2 3.32Å; V240-F244 WeakPolarHBondContact O-CE2 3.38Å; V240-F244 PolarHBondContact O-N 2.84Å
241	K	81	Confident	79.4	Confident	126 Å²	126	69 Å²	69	55%	0.548	35%	0.353	S	S	.	.	H	α-helix	trans	-62.6	-36	178.4	-175.3	179.9	178	-176.5	0	112	F238 I239 F244 N245	F238-K241 HydrophobicContact CB-CB 4.41Å; F238-K241 PolarHBondContact O-N 3.46Å; I239-K241 PolarHBondContact O-N 3.04Å; K241-F244 PolarHBondContact O-N 2.87Å; K241-N245 PolarHBondContact O-N 3.05Å; K241-N245 VanDerWaalsContact O-N 3.09Å; K241-N245 PolarHBondContact O-OD1 2.89Å
242	Q	85.1	Confident	79.7	Confident	46 Å²	46	67 Å²	67	22%	0.215	34%	0.342	C	S	.	.	H	α-helix	trans	-69	-41.2	178.8	-171.1	-179.9	-8.3	0	0	111.8	L234 F238 I239 V240 F244 N245 M246	L234-Q242 HydrophobicContact CD1-CB 4.16Å; L234-Q242 HydrophobicContact CD1-CG 3.89Å; F238-Q242 WeakPolarHBondContact O-CB 3.37Å; F238-Q242 PolarHBondContact O-N 3.36Å; I239-Q242 PolarHBondContact O-N 3.5Å; V240-Q242 VanDerWaalsContact C-N 3.28Å; V240-Q242 PolarHBondContact O-N 2.79Å; Q242-F244 VanDerWaalsContact C-N 3.29Å; Q242-F244 PolarHBondContact O-N 2.87Å; Q242-N245 PolarHBondContact O-N 3.36Å; Q242-N245 VanDerWaalsContact O-N 3.16Å; Q242-M246 HydrophobicContact CG-SD 4.21Å; Q242-M246 WeakPolarHBondContact O-CG 3.42Å; Q242-M246 PolarHBondContact O-N 3.25Å
243	I	87.6	Confident	80.3	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-55.7	-46.8	174	-69.7	167.7	0	0	0	110.1	V189 D191 L234 I239 V240 N245 M246 I247 L252 P494	V189-I243 HydrophobicContact CB-CG1 4.32Å; V189-I243 HydrophobicContact CG1-CD1 4.02Å; V189-I243 HydrophobicContact CG1-CG1 3.66Å; D191-I243 HydrophobicContact CB-CD1 4.01Å; L234-I243 HydrophobicContact CD1-CG1 4.2Å; I239-I243 HydrophobicContact CG2-CD1 3.72Å; I239-I243 HydrophobicContact CG2-CG1 4.38Å; I239-I243 WeakPolarHBondContact O-CG1 3.33Å; I239-I243 PolarHBondContact O-N 2.8Å; V240-I243 PolarHBondContact O-N 3.07Å; I243-N245 PolarHBondContact O-N 3.28Å; I243-M246 PolarHBondContact O-N 2.88Å; I243-I247 HydrophobicContact CG2-CD1 3.86Å; I243-I247 WeakPolarHBondContact O-CG1 3.19Å; I243-I247 PolarHBondContact O-N 3.26Å; I243-L252 HydrophobicContact CG2-CD2 4.07Å; I243-P494 HydrophobicContact CG2-CG 4.35Å
244	F	84.9	Confident	81.2	Confident	8 Å²	8	60.6 Å²	60.6	4%	0.035	31%	0.306	C	S	.	.	H	α-helix	trans	-60.3	-45.5	176.3	-71.4	-69.4	0	0	0	112.7	V240 K241 Q242 M246 I247 D248 E259 R263 I269 P494	V240-F244 HydrophobicContact CG1-CD2 4.12Å; V240-F244 HydrophobicContact CG1-CE2 3.51Å; V240-F244 WeakPolarHBondContact O-CD2 3.32Å; V240-F244 WeakPolarHBondContact O-CE2 3.38Å; V240-F244 PolarHBondContact O-N 2.84Å; K241-F244 PolarHBondContact O-N 2.87Å; Q242-F244 VanDerWaalsContact C-N 3.29Å; Q242-F244 PolarHBondContact O-N 2.87Å; F244-M246 VanDerWaalsContact C-N 3.27Å; F244-M246 PolarHBondContact O-N 3.4Å; F244-I247 PolarHBondContact O-N 3.03Å; F244-D248 WeakPolarHBondContact O-CB 3.48Å; F244-D248 PolarHBondContact O-N 3.18Å; F244-E259 HydrophobicContact CE1-CB 3.93Å; F244-E259 HydrophobicContact CE1-CG 4.06Å; F244-E259 WeakPolarHBondContact CE1-OE2 3.13Å; F244-E259 HydrophobicContact CZ-CB 3.62Å; F244-E259 VanDerWaalsContact CZ-CD 3.49Å; F244-E259 HydrophobicContact CZ-CG 3.82Å; F244-R263 VanDerWaalsContact CD2-NH1 3.27Å; F244-I269 HydrophobicContact CD1-CD1 4.15Å; F244-P494 HydrophobicContact CD1-CB 4.12Å; F244-P494 HydrophobicContact CE1-CB 3.5Å; F244-P494 HydrophobicContact CE1-CG 4.11Å; F244-P494 HydrophobicContact CZ-CB 4.16Å; F244-P494 HydrophobicContact CZ-CG 4.3Å
245	N	87.9	Confident	82.1	Confident	84 Å²	84	59.8 Å²	59.8	45%	0.449	30%	0.302	S	S	.	.	H	α-helix	trans	-61.6	-36.5	177.2	-70.8	-5.5	0	0	0	111.9	K241 Q242 I243 N249	K241-N245 PolarHBondContact O-N 3.05Å; K241-N245 VanDerWaalsContact O-N 3.09Å; K241-N245 PolarHBondContact O-OD1 2.89Å; Q242-N245 PolarHBondContact O-N 3.36Å; Q242-N245 VanDerWaalsContact O-N 3.16Å; I243-N245 PolarHBondContact O-N 3.28Å; N245-N249 WeakPolarHBondContact O-CB 3.49Å; N245-N249 PolarHBondContact O-N 3.19Å; N245-N249 PolarHBondContact O-ND2 3.09Å
246	M	90	Very high	83.6	Confident	26 Å²	26	54.8 Å²	54.8	13%	0.128	26%	0.261	C	S	.	.	H	α-helix	trans	-69.7	-37.4	177.6	-69.9	173.2	69	0	0	112	V189 L234 Q242 I243 F244 N249 E250 Q251 L252	V189-M246 HydrophobicContact CG2-CE 4.05Å; L234-M246 HydrophobicContact CD1-SD 3.94Å; L234-M246 HydrophobicContact CD2-SD 4.41Å; Q242-M246 HydrophobicContact CG-SD 4.21Å; Q242-M246 WeakPolarHBondContact O-CG 3.42Å; Q242-M246 PolarHBondContact O-N 3.25Å; I243-M246 PolarHBondContact O-N 2.88Å; F244-M246 VanDerWaalsContact C-N 3.27Å; F244-M246 PolarHBondContact O-N 3.4Å; M246-N249 CarbonylContact O-C 3.55Å; M246-E250 PolarHBondContact O-N 2.68Å; M246-Q251 HydrophobicContact CB-CB 4.44Å; M246-Q251 PolarHBondContact O-N 2.77Å; M246-L252 HydrophobicContact CB-CB 4.21Å; M246-L252 PolarHBondContact O-N 3.17Å
247	I	90.1	Very high	85.2	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-66.4	-45.2	174.7	-72.7	173.3	0	0	0	111.2	I243 F244 N249 E250 L252 I269 P494 L495	I243-I247 HydrophobicContact CG2-CD1 3.86Å; I243-I247 WeakPolarHBondContact O-CG1 3.19Å; I243-I247 PolarHBondContact O-N 3.26Å; F244-I247 PolarHBondContact O-N 3.03Å; I247-N249 VanDerWaalsContact C-N 3.27Å; I247-N249 PolarHBondContact O-N 3.14Å; I247-E250 PolarHBondContact O-N 2.81Å; I247-L252 HydrophobicContact CD1-CD2 4.11Å; I247-L252 HydrophobicContact CG1-CB 3.9Å; I247-L252 HydrophobicContact CG1-CD2 3.77Å; I247-L252 HydrophobicContact CG1-CG 4.23Å; I247-I269 HydrophobicContact CG2-CB 3.96Å; I247-I269 HydrophobicContact CG2-CD1 4.22Å; I247-I269 HydrophobicContact CG2-CG2 4.28Å; I247-P494 HydrophobicContact CD1-CB 3.47Å; I247-P494 VanDerWaalsContact CD1-CB 3.47Å; I247-P494 HydrophobicContact CD1-CG 3.78Å; I247-P494 WeakPolarHBondContact CD1-O 3.37Å; I247-L495 WeakPolarHBondContact CG2-O 3.45Å
248	D	87	Confident	86.8	Confident	99 Å²	99	42 Å²	42	53%	0.529	21%	0.205	S	C	.	.	H	α-helix	trans	-63.7	-34.2	179	-164.7	54	0	0	0	111.7	F244 E250	F244-D248 WeakPolarHBondContact O-CB 3.48Å; F244-D248 PolarHBondContact O-N 3.18Å; D248-E250 VanDerWaalsContact C-N 3.28Å; D248-E250 PolarHBondContact O-N 2.9Å
249	N	89.5	Confident	88	Confident	106 Å²	106	36.6 Å²	36.6	57%	0.567	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	11.5	173.6	-67.4	-57.7	0	0	0	113.8	N245 M246 I247 Q251	N245-N249 WeakPolarHBondContact O-CB 3.49Å; N245-N249 PolarHBondContact O-N 3.19Å; N245-N249 PolarHBondContact O-ND2 3.09Å; M246-N249 CarbonylContact O-C 3.55Å; I247-N249 VanDerWaalsContact C-N 3.27Å; I247-N249 PolarHBondContact O-N 3.14Å; N249-Q251 HydrophobicContact CB-CG 4.22Å; N249-Q251 PolarHBondContact O-N 2.88Å
250	E	87.3	Confident	88.4	Confident	79 Å²	79	36.3 Å²	36.3	37%	0.369	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	20.1	177.8	-58.3	-172.8	166	0	0	115.6	R187 M246 I247 D248 L252 R496 H498	R187-E250 PolarHBondContact NH2-O 3.36Å; M246-E250 PolarHBondContact O-N 2.68Å; I247-E250 PolarHBondContact O-N 2.81Å; D248-E250 VanDerWaalsContact C-N 3.28Å; D248-E250 PolarHBondContact O-N 2.9Å; E250-L252 VanDerWaalsContact C-N 3.33Å; E250-R496 HydrophobicContact CB-CG 4.28Å; E250-R496 HydrophobicContact CG-CG 4.14Å; E250-H498 IonicContact OE1-CE1 3.95Å; E250-H498 IonicContact OE1-ND1 3.04Å; E250-H498 PolarHBondContact OE1-ND1 3.34Å
251	Q	90.3	Very high	88.4	Confident	112 Å²	112	36.2 Å²	36.2	52%	0.523	18%	0.182	S	C	.	.			trans	-80.9	-17.5	177.5	-63.6	179.1	-11.7	0	0	112.6	R187 M246 N249	R187-Q251 PolarHBondContact NH1-O 3.48Å; M246-Q251 HydrophobicContact CB-CB 4.44Å; M246-Q251 PolarHBondContact O-N 2.77Å; N249-Q251 HydrophobicContact CB-CG 4.22Å; N249-Q251 PolarHBondContact O-N 2.88Å
252	L	92	Very high	87.8	Confident	4 Å²	4	31.8 Å²	31.8	2%	0.021	16%	0.163	C	C	.	.			trans	-127.9	140.1	-176	-165.9	69.2	0	0	0	110.6	R187 V189 I243 M246 I247 E250 R496	R187-L252 HydrophobicContact CB-CD1 4.35Å; R187-L252 WeakPolarHBondContact O-CD1 3.48Å; V189-L252 HydrophobicContact CB-CD1 4Å; V189-L252 HydrophobicContact CB-CD2 3.85Å; V189-L252 HydrophobicContact CG2-CD1 3.52Å; V189-L252 HydrophobicContact CG2-CD2 4.16Å; I243-L252 HydrophobicContact CG2-CD2 4.07Å; M246-L252 HydrophobicContact CB-CB 4.21Å; M246-L252 PolarHBondContact O-N 3.17Å; I247-L252 HydrophobicContact CD1-CD2 4.11Å; I247-L252 HydrophobicContact CG1-CB 3.9Å; I247-L252 HydrophobicContact CG1-CD2 3.77Å; I247-L252 HydrophobicContact CG1-CG 4.23Å; E250-L252 VanDerWaalsContact C-N 3.33Å; L252-R496 WeakPolarHBondContact O-CB 3.46Å
253	D	93.5	Very high	86.8	Confident	13 Å²	13	32.5 Å²	32.5	7%	0.07	16%	0.164	C	C	.	.	S	Bend	trans	-87.5	-48.3	178.4	-57.8	-36.5	0	0	0	111	I186 R187 R496 L499	I186-D253 HydrophobicContact CG2-CB 4.32Å; R187-D253 WeakPolarHBondContact CB-OD2 3.21Å; R187-D253 IonicContact CZ-OD1 3.42Å; R187-D253 PolarHBondContact N-OD2 3.14Å; R187-D253 IonicContact NE-OD1 2.87Å; R187-D253 PolarHBondContact NE-OD1 3.18Å; R187-D253 IonicContact NE-OD2 3.22Å; R187-D253 PolarHBondContact NE-OD2 3.45Å; R187-D253 IonicContact NH2-OD1 3.62Å; R187-D253 PolarHBondContact NH2-OD1 3.22Å; R187-D253 IonicContact NH2-OD2 2.68Å; R187-D253 WeakPolarHBondContact O-CB 3.17Å; R187-D253 PolarHBondContact O-N 2.92Å; D253-R496 PolarHBondContact O-N 3.44Å; D253-R496 IonicContact OD1-NE 2.7Å; D253-L499 HydrophobicContact CB-CD1 3.88Å
254	I	94.9	Very high	85.3	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	126	-178.9	-55.7	-177.5	0	0	0	109.9	I186 R187 A188 V218 F221 V493 L495 L499 Y501 F505	I186-I254 HydrophobicContact CG2-CD1 4.05Å; I186-I254 HydrophobicContact CG2-CG1 4.24Å; R187-I254 PolarHBondContact O-N 3.31Å; A188-I254 VanDerWaalsContact CA-O 3.26Å; A188-I254 WeakPolarHBondContact CA-O 3.26Å; V218-I254 HydrophobicContact CG1-CG2 4.4Å; V218-I254 HydrophobicContact CG2-CG2 3.97Å; F221-I254 HydrophobicContact CD1-CD1 4.37Å; F221-I254 HydrophobicContact CE1-CD1 4.45Å; I254-V493 HydrophobicContact CG2-CG1 3.97Å; I254-L495 HydrophobicContact CB-CD2 4.32Å; I254-L495 HydrophobicContact CG1-CD2 3.97Å; I254-L495 HydrophobicContact CG2-CD2 3.99Å; I254-L499 HydrophobicContact CG1-CD2 4.3Å; I254-Y501 HydrophobicContact CD1-CE2 4.3Å; I254-F505 HydrophobicContact CD1-CD2 3.95Å; I254-F505 HydrophobicContact CD1-CE2 4.04Å; I254-F505 HydrophobicContact CD1-CG 4.49Å; I254-F505 HydrophobicContact CG2-CZ 4.45Å
255	G	93.4	Very high	84.1	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	122.5	168.2	0	0	0	0	0	110.9	S257 V493 P494	G255-S257 PolarHBondContact O-N 3.1Å; G255-V493 VanDerWaalsContact O-CG1 3.27Å; G255-V493 WeakPolarHBondContact O-CG1 3.41Å; G255-P494 PolarHBondContact N-O 3.24Å; G255-P494 WeakPolarHBondContact O-CD 3.24Å
256	I	93.8	Very high	82.8	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	71.3	176.6	-45.1	-177.9	0	0	0	108.1	A188 V189 A190 D191 I210 V214 A215 V218 L229 L231	A188-I256 HydrophobicContact CB-CD1 3.91Å; A188-I256 HydrophobicContact CB-CG1 4.09Å; V189-I256 PolarHBondContact O-N 2.97Å; A190-I256 WeakPolarHBondContact CA-O 3.42Å; A190-I256 HydrophobicContact CB-CB 4.01Å; A190-I256 HydrophobicContact CB-CG2 4.43Å; D191-I256 PolarHBondContact N-O 3.47Å; I210-I256 HydrophobicContact CD1-CD1 3.14Å; I210-I256 HydrophobicContact CD1-CG1 4.49Å; I210-I256 HydrophobicContact CD1-CG2 4.42Å; V214-I256 HydrophobicContact CB-CG2 4.43Å; V214-I256 HydrophobicContact CG1-CG2 4.03Å; A215-I256 HydrophobicContact CB-CG2 4.11Å; V218-I256 HydrophobicContact CB-CD1 4.21Å; V218-I256 HydrophobicContact CB-CG1 4.3Å; V218-I256 HydrophobicContact CG1-CD1 4.04Å; V218-I256 HydrophobicContact CG1-CG1 4.22Å; V218-I256 HydrophobicContact CG2-CG1 4.11Å; L229-I256 HydrophobicContact CD2-CD1 4.35Å; L231-I256 HydrophobicContact CD1-CD1 4.26Å
257	S	91.1	Very high	81.7	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	-154.3	168.5	-173	178.4	0	0	0	0	108.6	D191 G255 P494	D191-S257 WeakPolarHBondContact OD2-CA 3.05Å; D191-S257 PolarHBondContact OD2-OG 3.28Å; G255-S257 PolarHBondContact O-N 3.1Å; S257-P494 WeakPolarHBondContact O-CD 3.48Å
258	L	89.8	Confident	81.1	Confident	7 Å²	7	55.3 Å²	55.3	4%	0.037	27%	0.268	C	S	.	.			trans	-121.4	129.5	171.6	-69.2	177.9	0	0	0	112.5	Y213 V214 Y274 I275 L491 S492 V493	Y213-L258 HydrophobicContact CE2-CD1 3.78Å; V214-L258 HydrophobicContact CG1-CD2 4.49Å; V214-L258 HydrophobicContact CG2-CD1 3.71Å; V214-L258 HydrophobicContact CG2-CD2 4.21Å; V214-L258 HydrophobicContact CG2-CG 3.78Å; L258-Y274 HydrophobicContact CD1-CD1 4.38Å; L258-Y274 HydrophobicContact CD2-CD1 3.8Å; L258-I275 HydrophobicContact CD1-CD1 4.11Å; L258-L491 HydrophobicContact CB-CB 4.13Å; L258-L491 HydrophobicContact CB-CD1 4.36Å; L258-L491 HydrophobicContact CD1-CB 4.11Å; L258-L491 HydrophobicContact CD1-CD1 3.89Å; L258-L491 HydrophobicContact CD2-CB 4.37Å; L258-L491 HydrophobicContact CG-CB 4.43Å; L258-S492 WeakPolarHBondContact CA-O 3.41Å; L258-V493 HydrophobicContact CD2-CG2 4.01Å
259	E	84.3	Confident	81	Confident	4 Å²	4	50.9 Å²	50.9	2%	0.019	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	132.8	172	-170.5	152.6	-141.2	0	0	111.4	F244 R263 F266 S270 L491 S492	F244-E259 HydrophobicContact CE1-CB 3.93Å; F244-E259 HydrophobicContact CE1-CG 4.06Å; F244-E259 WeakPolarHBondContact CE1-OE2 3.13Å; F244-E259 HydrophobicContact CZ-CB 3.62Å; F244-E259 VanDerWaalsContact CZ-CD 3.49Å; F244-E259 HydrophobicContact CZ-CG 3.82Å; E259-R263 HydrophobicContact CG-CB 4.38Å; E259-R263 WeakPolarHBondContact OE1-CB 3.44Å; E259-R263 WeakPolarHBondContact OE1-CD 3.39Å; E259-R263 IonicContact OE1-CZ 3.76Å; E259-R263 IonicContact OE1-NE 3.83Å; E259-R263 IonicContact OE1-NH1 3.68Å; E259-R263 PolarHBondContact OE1-NH1 2.95Å; E259-F266 WeakPolarHBondContact OE1-CD2 3.5Å; E259-F266 VanDerWaalsContact OE2-CB 3.22Å; E259-F266 WeakPolarHBondContact OE2-CB 3.17Å; E259-S270 PolarHBondContact OE2-OG 3.27Å; E259-L491 CarbonylContact O-C 3.24Å; E259-L491 WeakPolarHBondContact O-CA 3.4Å; E259-S492 PolarHBondContact N-O 2.74Å; E259-S492 PolarHBondContact O-N 3.24Å
260	S	84.2	Confident	80.9	Confident	23 Å²	23	46.5 Å²	46.5	16%	0.161	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	142	171.7	174.6	0	0	0	0	112.3	F262 R263	S260-F262 PolarHBondContact O-N 2.93Å; S260-F262 WeakPolarHBondContact OG-CD2 3.47Å; S260-F262 PolarHBondContact OG-N 3.19Å; S260-R263 PolarHBondContact O-N 3.07Å
261	S	78	Confident	81.1	Confident	23 Å²	23	43 Å²	43	16%	0.161	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-18	170.9	64	0	0	0	0	115.8	R263 F490	S261-R263 PolarHBondContact O-N 2.99Å; S261-R263 VanDerWaalsContact O-N 3.07Å; S261-F490 PolarHBondContact N-O 3.02Å
262	F	69.9	Low	81	Confident	34 Å²	34	44.3 Å²	44.3	15%	0.149	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-16.1	172	-64.5	-52.3	0	0	0	113.1	S260 Y279 L417 T420 I489	S260-F262 PolarHBondContact O-N 2.93Å; S260-F262 WeakPolarHBondContact OG-CD2 3.47Å; S260-F262 PolarHBondContact OG-N 3.19Å; F262-Y279 AromaticContact CE2-CD1 3.47Å; F262-Y279 HydrophobicContact CE2-CD1 3.47Å; F262-Y279 VanDerWaalsContact CE2-CD1 3.47Å; F262-Y279 HydrophobicContact CE2-CE1 4.12Å; F262-Y279 AromaticContact CE2-CG 3.93Å; F262-Y279 HydrophobicContact CE2-CG 3.93Å; F262-Y279 AromaticContact CZ-CD1 3.88Å; F262-Y279 HydrophobicContact CZ-CD1 3.88Å; F262-Y279 HydrophobicContact CZ-CG 4.46Å; F262-L417 HydrophobicContact CE1-CD2 4.43Å; F262-L417 HydrophobicContact CE2-CD2 4.49Å; F262-L417 HydrophobicContact CZ-CD2 4.27Å; F262-T420 HydrophobicContact CB-CG2 4.13Å; F262-T420 HydrophobicContact CD1-CG2 4.13Å; F262-T420 WeakPolarHBondContact O-CG2 3.44Å; F262-I489 HydrophobicContact CD2-CG2 4.47Å; F262-I489 HydrophobicContact CE1-CG2 4.02Å; F262-I489 HydrophobicContact CE2-CD1 4.35Å; F262-I489 HydrophobicContact CE2-CG2 3.74Å; F262-I489 HydrophobicContact CZ-CG2 3.49Å; F262-I489 VanDerWaalsContact CZ-CG2 3.49Å
263	R	64.3	Low	81	Confident	61 Å²	61	46.2 Å²	46.2	23%	0.23	22%	0.22	C	C	.	.			trans	-102.5	68.4	174.4	-64.2	-166.4	-109.1	146.7	-10	111.2	F244 E259 S260 S261 K265 F266	F244-R263 VanDerWaalsContact CD2-NH1 3.27Å; E259-R263 HydrophobicContact CG-CB 4.38Å; E259-R263 WeakPolarHBondContact OE1-CB 3.44Å; E259-R263 WeakPolarHBondContact OE1-CD 3.39Å; E259-R263 IonicContact OE1-CZ 3.76Å; E259-R263 IonicContact OE1-NE 3.83Å; E259-R263 IonicContact OE1-NH1 3.68Å; E259-R263 PolarHBondContact OE1-NH1 2.95Å; S260-R263 PolarHBondContact O-N 3.07Å; S261-R263 PolarHBondContact O-N 2.99Å; S261-R263 VanDerWaalsContact O-N 3.07Å; R263-K265 PolarHBondContact O-N 2.99Å; R263-F266 HydrophobicContact CB-CD2 3.86Å; R263-F266 HydrophobicContact CB-CE2 4.18Å; R263-F266 PolarHBondContact O-N 2.93Å
264	M	54.2	Low	81	Confident	150 Å²	150	45.9 Å²	45.9	74%	0.739	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-57.6	-7.9	-177.5	-67.2	-156.5	-71.9	0	0	116.4	F266	M264-F266 PolarHBondContact O-N 3.01Å
265	K	60	Low	80.9	Confident	194 Å²	194	46.4 Å²	46.4	84%	0.843	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-75	-8.4	180	-79	-166	174.6	-167	0	114.4	R263	R263-K265 PolarHBondContact O-N 2.99Å
266	F	61.7	Low	80.8	Confident	57 Å²	57	52 Å²	52	25%	0.25	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-120.5	19.2	-162.6	-61	-62.8	0	0	0	115.2	E259 R263 M264 E268 I269 S270	E259-F266 WeakPolarHBondContact OE1-CD2 3.5Å; E259-F266 VanDerWaalsContact OE2-CB 3.22Å; E259-F266 WeakPolarHBondContact OE2-CB 3.17Å; R263-F266 HydrophobicContact CB-CD2 3.86Å; R263-F266 HydrophobicContact CB-CE2 4.18Å; R263-F266 PolarHBondContact O-N 2.93Å; M264-F266 PolarHBondContact O-N 3.01Å; F266-E268 PolarHBondContact O-N 3.14Å; F266-E268 VanDerWaalsContact O-N 3.08Å; F266-I269 HydrophobicContact CB-CD1 4.08Å; F266-I269 HydrophobicContact CB-CG1 3.64Å; F266-I269 HydrophobicContact CD1-CD1 3.31Å; F266-I269 HydrophobicContact CD1-CG1 3.73Å; F266-I269 HydrophobicContact CE1-CD1 3.98Å; F266-I269 HydrophobicContact CG-CD1 3.96Å; F266-I269 HydrophobicContact CG-CG1 4.07Å; F266-I269 CarbonylContact O-C 3.54Å; F266-I269 PolarHBondContact O-N 2.88Å; F266-S270 VanDerWaalsContact O-CB 3.26Å; F266-S270 WeakPolarHBondContact O-CB 3.28Å; F266-S270 PolarHBondContact O-N 3.39Å; F266-S270 PolarHBondContact O-OG 3.19Å
267	I	66.1	Low	80.8	Confident	130 Å²	130	52.7 Å²	52.7	67%	0.667	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-52.6	-35.4	176.8	-62	174.6	0	0	0	111	S270	I267-S270 PolarHBondContact O-N 3.35Å
268	E	76.9	Confident	80.9	Confident	65 Å²	65	53.9 Å²	53.9	30%	0.304	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-68.7	-35.1	-178.8	-56.3	-176	-179.5	0	0	113.2	Y102 F266 R497 R502	Y102-E268 HydrophobicContact CD1-CG 4.34Å; Y102-E268 HydrophobicContact CE1-CB 3.82Å; Y102-E268 VanDerWaalsContact CE1-CD 3.45Å; Y102-E268 HydrophobicContact CE1-CG 3.61Å; Y102-E268 WeakPolarHBondContact CE1-OE2 3.45Å; Y102-E268 PolarHBondContact OH-O 2.04Å; F266-E268 PolarHBondContact O-N 3.14Å; F266-E268 VanDerWaalsContact O-N 3.08Å; E268-R497 IonicContact OE1-NH2 3.46Å; E268-R497 IonicContact OE2-CZ 2.69Å; E268-R497 IonicContact OE2-NE 2.78Å; E268-R497 PolarHBondContact OE2-NE 3.26Å; E268-R497 IonicContact OE2-NH2 3.21Å; E268-R497 PolarHBondContact OE2-NH2 2.98Å; E268-R502 PolarHBondContact O-NH1 3.47Å
269	I	85.4	Confident	81.2	Confident	6 Å²	6	54 Å²	54	3%	0.031	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-102.9	18.6	179.5	66.4	166.7	0	0	0	112.5	F244 I247 F266 P494 L495 R497	F244-I269 HydrophobicContact CD1-CD1 4.15Å; I247-I269 HydrophobicContact CG2-CB 3.96Å; I247-I269 HydrophobicContact CG2-CD1 4.22Å; I247-I269 HydrophobicContact CG2-CG2 4.28Å; F266-I269 HydrophobicContact CB-CD1 4.08Å; F266-I269 HydrophobicContact CB-CG1 3.64Å; F266-I269 HydrophobicContact CD1-CD1 3.31Å; F266-I269 HydrophobicContact CD1-CG1 3.73Å; F266-I269 HydrophobicContact CE1-CD1 3.98Å; F266-I269 HydrophobicContact CG-CD1 3.96Å; F266-I269 HydrophobicContact CG-CG1 4.07Å; F266-I269 CarbonylContact O-C 3.54Å; F266-I269 PolarHBondContact O-N 2.88Å; I269-P494 CarbonylContact O-C 3.46Å; I269-P494 VanDerWaalsContact O-CA 3.25Å; I269-P494 WeakPolarHBondContact O-CA 3.44Å; I269-L495 CarbonylContact C-O 3.54Å; I269-L495 VanDerWaalsContact CA-O 3.27Å; I269-L495 WeakPolarHBondContact CA-O 3.4Å; I269-L495 WeakPolarHBondContact CB-O 3.44Å; I269-L495 PolarHBondContact O-N 3.3Å; I269-L495 VanDerWaalsContact O-O 3.13Å; I269-R497 HydrophobicContact CG2-CB 4.07Å
270	S	88	Confident	81.7	Confident	14 Å²	14	53.8 Å²	53.8	10%	0.098	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	137.1	179.6	-68.4	0	0	0	0	109.9	E259 F266 I267 R502	E259-S270 PolarHBondContact OE2-OG 3.27Å; F266-S270 VanDerWaalsContact O-CB 3.26Å; F266-S270 WeakPolarHBondContact O-CB 3.28Å; F266-S270 PolarHBondContact O-N 3.39Å; F266-S270 PolarHBondContact O-OG 3.19Å; I267-S270 PolarHBondContact O-N 3.35Å; S270-R502 PolarHBondContact O-NH1 2.91Å; S270-R502 PolarHBondContact O-NH2 3.35Å
271	S	90.9	Very high	82.2	Confident	5 Å²	5	52.8 Å²	52.8	4%	0.035	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	174	170.9	72.5	0	0	0	0	112.3	S492 V493	S271-S492 WeakPolarHBondContact O-CB 3.44Å; S271-S492 PolarHBondContact O-OG 2.89Å; S271-V493 WeakPolarHBondContact CB-O 3.49Å; S271-V493 PolarHBondContact N-O 3.18Å; S271-V493 PolarHBondContact OG-N 3.48Å; S271-V493 PolarHBondContact OG-O 3.5Å
272	Y	88.4	Confident	83	Confident	141 Å²	141	51.7 Å²	51.7	55%	0.553	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-52.2	146.7	161.1	-169.1	-93.7	0	0	0	110.3	Y274 D506 M509	Y272-Y274 PolarHBondContact O-N 2.82Å; Y272-Y274 VanDerWaalsContact O-N 3.08Å; Y272-D506 PolarHBondContact N-OD1 3.18Å; Y272-D506 VanDerWaalsContact N-OD1 3.14Å; Y272-M509 HydrophobicContact CD1-CE 4.37Å; Y272-M509 WeakPolarHBondContact O-CE 3.38Å
273	P	91.3	Very high	84.1	Confident	43 Å²	43	50.1 Å²	50.1	28%	0.279	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-48.1	117.3	176.7	-35.1	40.4	0	0	0	113	F490	P273-F490 HydrophobicContact CB-CB 3.84Å; P273-F490 HydrophobicContact CB-CG 4.49Å; P273-F490 HydrophobicContact CG-CB 4.08Å; P273-F490 HydrophobicContact CG-CD2 4.11Å; P273-F490 HydrophobicContact CG-CG 4.2Å
274	Y	93.8	Very high	85.3	Confident	6 Å²	6	48 Å²	48	2%	0.024	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-49.7	177.5	-178.9	-131	0	0	0	110.9	Y213 V214 L217 L258 Y272 L491 M509 H513 V518	Y213-Y274 AromaticContact CD2-CE1 3.91Å; Y213-Y274 HydrophobicContact CD2-CE1 3.91Å; Y213-Y274 HydrophobicContact CE2-CE1 4.16Å; Y213-Y274 PolarHBondContact O-OH 3.45Å; Y213-Y274 VanDerWaalsContact O-OH 3.05Å; V214-Y274 HydrophobicContact CG2-CE1 4.23Å; L217-Y274 HydrophobicContact CD1-CE2 4.42Å; L217-Y274 HydrophobicContact CD2-CD2 3.99Å; L217-Y274 HydrophobicContact CD2-CE1 4.33Å; L217-Y274 HydrophobicContact CD2-CE2 3.75Å; L217-Y274 HydrophobicContact CD2-CG 4.38Å; L258-Y274 HydrophobicContact CD1-CD1 4.38Å; L258-Y274 HydrophobicContact CD2-CD1 3.8Å; Y272-Y274 PolarHBondContact O-N 2.82Å; Y272-Y274 VanDerWaalsContact O-N 3.08Å; Y274-L491 WeakPolarHBondContact CA-O 3.47Å; Y274-L491 WeakPolarHBondContact CB-O 3.12Å; Y274-L491 PolarHBondContact N-O 3.45Å; Y274-M509 HydrophobicContact CD2-CG 3.43Å; Y274-M509 VanDerWaalsContact CD2-CG 3.43Å; Y274-M509 HydrophobicContact CD2-SD 3.53Å; Y274-M509 VanDerWaalsContact CD2-SD 3.53Å; Y274-M509 HydrophobicContact CE2-CG 3.97Å; Y274-M509 HydrophobicContact CG-CG 4.4Å; Y274-M509 HydrophobicContact CG-SD 3.92Å; Y274-H513 AromaticContact CD2-NE2 3.17Å; Y274-H513 WeakPolarHBondContact CD2-NE2 3.08Å; Y274-H513 AromaticContact CE2-NE2 3.31Å; Y274-H513 VanDerWaalsContact CE2-NE2 3.31Å; Y274-H513 WeakPolarHBondContact CE2-NE2 3.45Å; Y274-H513 PolarHBondContact O-CE1 3.38Å; Y274-H513 PolarHBondContact O-NE2 2.88Å; Y274-V518 HydrophobicContact CE1-CG1 4.43Å; Y274-V518 HydrophobicContact CE2-CB 4.47Å; Y274-V518 HydrophobicContact CE2-CG1 3.94Å; Y274-V518 HydrophobicContact CE2-CG2 3.65Å; Y274-V518 WeakPolarHBondContact OH-CG1 3.13Å; Y274-V518 WeakPolarHBondContact OH-CG2 3.45Å
275	I	92.9	Very high	87	Confident	11 Å²	11	43.5 Å²	43.5	6%	0.056	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	134.6	-178.1	-65.6	173.3	0	0	0	110.6	Y213 L258 D460 F490 L491 M522	Y213-I275 HydrophobicContact CD2-CD1 3.87Å; Y213-I275 HydrophobicContact CE2-CD1 3.27Å; L258-I275 HydrophobicContact CD1-CD1 4.11Å; I275-D460 HydrophobicContact CG2-CB 4.5Å; I275-F490 CarbonylContact O-C 3.55Å; I275-F490 WeakPolarHBondContact O-CA 3.39Å; I275-L491 HydrophobicContact CB-CB 4.22Å; I275-L491 PolarHBondContact N-O 2.85Å; I275-L491 VanDerWaalsContact N-O 3.07Å; I275-L491 PolarHBondContact O-N 3.08Å; I275-M522 HydrophobicContact CD1-SD 4.02Å
276	L	92.8	Very high	88.2	Confident	119 Å²	119	34.9 Å²	34.9	62%	0.623	18%	0.178	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	123.5	166.4	-62.4	175.1	0	0	0	108.9	L488 I489 F490	L276-L488 HydrophobicContact CB-CD1 4.07Å; L276-L488 HydrophobicContact CD2-CD1 4.23Å; L276-I489 WeakPolarHBondContact CA-O 3.49Å; L276-F490 HydrophobicContact CD2-CB 3.8Å
277	T	93.3	Very high	89.2	Confident	13 Å²	13	34.4 Å²	34.4	8%	0.08	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	167	-174	-169.5	0	0	0	0	110.5	T458 G459 D460 I489 L491	T277-T458 HydrophobicContact CG2-CG2 4.47Å; T277-G459 WeakPolarHBondContact OG1-CA 3.42Å; T277-G459 PolarHBondContact OG1-N 3.21Å; T277-D460 WeakPolarHBondContact CG2-OD1 3.38Å; T277-D460 PolarHBondContact OG1-N 2.94Å; T277-D460 PolarHBondContact OG1-OD1 3.06Å; T277-I489 HydrophobicContact CG2-CD1 3.77Å; T277-I489 HydrophobicContact CG2-CG1 3.53Å; T277-I489 PolarHBondContact N-O 3.16Å; T277-I489 VanDerWaalsContact O-CG1 3.24Å; T277-I489 WeakPolarHBondContact O-CG1 3.38Å; T277-I489 PolarHBondContact O-N 3.13Å; T277-L491 HydrophobicContact CG2-CD1 3.9Å; T277-L491 HydrophobicContact CG2-CG 3.93Å
278	S	94	Very high	90	Very high	26 Å²	26	32.3 Å²	32.3	18%	0.182	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	159	172.1	57.2	0	0	0	0	110.3	T458 G459 F479	S278-T458 CarbonylContact O-C 3.43Å; S278-T458 WeakPolarHBondContact O-CA 3.41Å; S278-G459 PolarHBondContact O-N 3.33Å; S278-F479 WeakPolarHBondContact OG-CZ 3.4Å
279	Y	94.2	Very high	90.3	Very high	9 Å²	9	30.9 Å²	30.9	4%	0.035	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	104.8	177	-175.4	-123.2	0	0	0	109.4	F262 E413 L417 V456 T458 C484 F485 S486	F262-Y279 AromaticContact CE2-CD1 3.47Å; F262-Y279 HydrophobicContact CE2-CD1 3.47Å; F262-Y279 VanDerWaalsContact CE2-CD1 3.47Å; F262-Y279 HydrophobicContact CE2-CE1 4.12Å; F262-Y279 AromaticContact CE2-CG 3.93Å; F262-Y279 HydrophobicContact CE2-CG 3.93Å; F262-Y279 AromaticContact CZ-CD1 3.88Å; F262-Y279 HydrophobicContact CZ-CD1 3.88Å; F262-Y279 HydrophobicContact CZ-CG 4.46Å; Y279-E413 WeakPolarHBondContact OH-CB 3.46Å; Y279-E413 WeakPolarHBondContact OH-CG 3.27Å; Y279-L417 HydrophobicContact CD1-CD2 4.46Å; Y279-L417 HydrophobicContact CE1-CD1 4.19Å; Y279-L417 HydrophobicContact CE1-CD2 4.15Å; Y279-L417 HydrophobicContact CE1-CG 4.43Å; Y279-V456 HydrophobicContact CE2-CB 4.01Å; Y279-V456 HydrophobicContact CE2-CG2 4.27Å; Y279-V456 VanDerWaalsContact OH-CG2 3.29Å; Y279-V456 WeakPolarHBondContact OH-CG2 3.43Å; Y279-T458 HydrophobicContact CD2-CG2 3.81Å; Y279-T458 HydrophobicContact CE2-CG2 4.47Å; Y279-C484 CarbonylContact O-C 3.6Å; Y279-C484 WeakPolarHBondContact O-CA 3.39Å; Y279-F485 HydrophobicContact CD1-CB 3.83Å; Y279-F485 AromaticContact CD1-CD2 3.73Å; Y279-F485 HydrophobicContact CD1-CD2 3.73Å; Y279-F485 HydrophobicContact CD1-CG 4.21Å; Y279-F485 HydrophobicContact CE1-CB 4.34Å; Y279-F485 AromaticContact CE1-CD2 3.59Å; Y279-F485 HydrophobicContact CE1-CD2 3.59Å; Y279-F485 HydrophobicContact CE1-CE2 4.33Å; Y279-F485 HydrophobicContact CE1-CG 4.29Å; Y279-F485 PolarHBondContact O-N 2.97Å; Y279-S486 PolarHBondContact N-O 3.38Å; Y279-S486 PolarHBondContact O-N 3.43Å
280	C	95.1	Very high	90	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	170.1	-166.9	-40.3	0	0	0	0	112.8	V457 F479 L483 C484	C280-V457 PolarHBondContact N-O 2.93Å; C280-V457 PolarHBondContact O-N 3.32Å; C280-V457 VanDerWaalsContact O-O 3.09Å; C280-F479 HydrophobicContact CB-CD2 4.33Å; C280-F479 HydrophobicContact CB-CE1 4.35Å; C280-F479 HydrophobicContact CB-CE2 3.57Å; C280-F479 HydrophobicContact CB-CZ 3.59Å; C280-F479 WeakPolarHBondContact SG-CZ 3.34Å; C280-L483 WeakPolarHBondContact CA-O 3.43Å; C280-L483 WeakPolarHBondContact CB-O 3.41Å; C280-C484 HydrophobicContact CB-CB 3.85Å; C280-C484 WeakPolarHBondContact CB-SG 3.31Å; C280-C484 WeakPolarHBondContact SG-CB 3.38Å; C280-C484 CovalentContact SG-SG 2.03Å; C280-C484 PolarHBondContact SG-SG 2.9Å
281	L	94.6	Very high	89.6	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	131.2	175.2	-59.4	-173.8	0	0	0	111.1	V283 F397 V400 I407 Y455 V456 A480 L483 F485	L281-V283 HydrophobicContact CB-CG2 3.59Å; L281-V283 HydrophobicContact CD1-CG2 4.48Å; L281-F397 HydrophobicContact CD1-CD1 4.1Å; L281-F397 HydrophobicContact CD1-CE1 3.86Å; L281-F397 HydrophobicContact CG-CE1 4.07Å; L281-V400 HydrophobicContact CD1-CG2 4.16Å; L281-I407 HydrophobicContact CD1-CD1 4.15Å; L281-I407 HydrophobicContact CD2-CD1 4.08Å; L281-I407 HydrophobicContact CD2-CG2 4.24Å; L281-Y455 CarbonylContact C-O 3.45Å; L281-Y455 WeakPolarHBondContact CA-O 3.49Å; L281-V456 HydrophobicContact CD2-CG1 3.78Å; L281-A480 HydrophobicContact CB-CB 4.41Å; L281-A480 PolarHBondContact O-N 2.74Å; L281-L483 HydrophobicContact CB-CB 4.2Å; L281-L483 HydrophobicContact CD1-CB 3.95Å; L281-L483 HydrophobicContact CD1-CD1 4.05Å; L281-L483 HydrophobicContact CG-CB 4.09Å; L281-L483 PolarHBondContact N-O 3.37Å; L281-F485 HydrophobicContact CD2-CE2 3.83Å; L281-F485 HydrophobicContact CD2-CZ 4.08Å
282	M	94.8	Very high	89	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	102.1	160.6	170.9	173.8	170.5	0	0	106.8	R446 F449 Y455 V457 W462 Y465 F477	M282-R446 HydrophobicContact SD-CG 4.25Å; M282-F449 HydrophobicContact CE-CD1 3.88Å; M282-F449 HydrophobicContact CE-CE1 3.79Å; M282-Y455 PolarHBondContact N-O 2.85Å; M282-Y455 PolarHBondContact O-N 3.17Å; M282-V457 HydrophobicContact CB-CB 4.27Å; M282-V457 HydrophobicContact CB-CG1 3.81Å; M282-W462 HydrophobicContact CE-CZ3 4.29Å; M282-W462 HydrophobicContact CG-CE3 4.29Å; M282-W462 HydrophobicContact CG-CZ3 3.82Å; M282-W462 HydrophobicContact SD-CE3 4.21Å; M282-W462 HydrophobicContact SD-CZ3 3.98Å; M282-Y465 HydrophobicContact CE-CD2 4.48Å; M282-Y465 HydrophobicContact SD-CD2 3.92Å; M282-Y465 HydrophobicContact SD-CE2 4.12Å; M282-F477 HydrophobicContact CE-CB 3.64Å; M282-F477 HydrophobicContact CE-CD1 3.92Å; M282-F477 HydrophobicContact CE-CD2 3.66Å; M282-F477 HydrophobicContact CE-CE1 4.47Å; M282-F477 HydrophobicContact CE-CE2 4.23Å; M282-F477 HydrophobicContact CE-CG 3.47Å; M282-F477 VanDerWaalsContact CE-CG 3.47Å; M282-F477 HydrophobicContact CG-CB 3.8Å; M282-F477 HydrophobicContact CG-CD1 3.68Å; M282-F477 HydrophobicContact CG-CG 3.94Å
283	V	92.9	Very high	88.6	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.012	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	143.1	-170.7	-178.4	0	0	0	0	109.5	L281 I394 N454 F477 Y478 A480 L483	L281-V283 HydrophobicContact CB-CG2 3.59Å; L281-V283 HydrophobicContact CD1-CG2 4.48Å; V283-I394 HydrophobicContact CG1-CB 4.49Å; V283-I394 HydrophobicContact CG1-CD1 3.74Å; V283-I394 HydrophobicContact CG1-CG1 4.22Å; V283-N454 WeakPolarHBondContact CA-OD1 3.4Å; V283-F477 VanDerWaalsContact C-CD1 3.46Å; V283-F477 CarbonylContact O-C 3.49Å; V283-F477 WeakPolarHBondContact O-CA 3.33Å; V283-F477 WeakPolarHBondContact O-CB 3.35Å; V283-Y478 HydrophobicContact CB-CD1 4.25Å; V283-Y478 HydrophobicContact CB-CE1 3.65Å; V283-Y478 HydrophobicContact CB-CE2 4.34Å; V283-Y478 HydrophobicContact CG1-CE1 3.65Å; V283-Y478 PolarHBondContact N-O 3.37Å; V283-Y478 VanDerWaalsContact O-CD1 3.27Å; V283-Y478 WeakPolarHBondContact O-CD1 3.4Å; V283-Y478 PolarHBondContact O-N 3.37Å; V283-A480 HydrophobicContact CG2-CB 3.85Å; V283-L483 HydrophobicContact CG2-CD1 4.44Å
284	Q	90.8	Very high	88.3	Confident	15 Å²	15	35.1 Å²	35.1	7%	0.07	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	137.6	175.7	-64.2	172.8	22.1	0	0	110.7	L451 Y453 N454 V476 F477 Y478	Q284-L451 HydrophobicContact CG-CD2 4.32Å; Q284-L451 PolarHBondContact NE2-O 2.86Å; Q284-L451 PolarHBondContact OE1-O 3.08Å; Q284-Y453 VanDerWaalsContact NE2-C 3.31Å; Q284-Y453 PolarHBondContact NE2-O 3.4Å; Q284-N454 PolarHBondContact N-OD1 2.96Å; Q284-V476 CarbonylContact C-O 3.47Å; Q284-V476 WeakPolarHBondContact CA-O 3.29Å; Q284-F477 HydrophobicContact CB-CD1 4.42Å; Q284-F477 HydrophobicContact CB-CE1 4.33Å; Q284-F477 HydrophobicContact CG-CD1 3.84Å; Q284-F477 HydrophobicContact CG-CE1 3.3Å; Q284-F477 HydrophobicContact CG-CE2 4.47Å; Q284-F477 HydrophobicContact CG-CZ 3.68Å; Q284-Y478 WeakPolarHBondContact O-CE1 3.49Å
285	V	89.6	Confident	87.6	Confident	57 Å²	57	36.3 Å²	36.3	35%	0.345	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-61	130.3	172.4	176.3	0	0	0	0	108.5	P475 V476 Y478	V285-P475 HydrophobicContact CG2-CB 4.47Å; V285-P475 WeakPolarHBondContact CG2-O 3.45Å; V285-V476 PolarHBondContact N-O 2.82Å; V285-Y478 HydrophobicContact CG2-CD1 4.14Å
286	P	86.1	Confident	86.9	Confident	13 Å²	13	38.2 Å²	38.2	8%	0.084	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-58.4	141.6	179.9	-19.4	28.5	0	0	0	111.3	E391 E393	P286-E391 HydrophobicContact CB-CB 3.85Å; P286-E391 VanDerWaalsContact CB-O 3.22Å; P286-E391 WeakPolarHBondContact CB-O 3.33Å; P286-E393 HydrophobicContact CG-CB 4.39Å; P286-E393 HydrophobicContact CG-CG 3.57Å
287	A	82.4	Confident	86.3	Confident	46 Å²	46	37.1 Å²	37.1	38%	0.38	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-67.3	144.7	179	0	0	0	0	0	109.8	E391	A287-E391 WeakPolarHBondContact O-CG 3.44Å; A287-E391 PolarHBondContact O-N 2.84Å
288	K	83.1	Confident	85.7	Confident	87 Å²	87	37.2 Å²	37.2	38%	0.378	21%	0.205	S	C	.	.	B	Isolated β-bridge	trans	-68.8	141.7	169.5	-68.3	177.6	179.3	166	0	109.4	N387 P388 E474	K288-N387 WeakPolarHBondContact CE-OD1 3.38Å; K288-P388 HydrophobicContact CB-CB 4.44Å; K288-P388 HydrophobicContact CB-CG 4.03Å; K288-P388 HydrophobicContact CD-CG 4.08Å; K288-P388 HydrophobicContact CG-CG 4.47Å; K288-E474 IonicContact NZ-OE1 3.19Å; K288-E474 PolarHBondContact NZ-OE1 2.9Å
289	L	81.4	Confident	84.9	Confident	35 Å²	35	39.3 Å²	39.3	18%	0.183	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-63.2	139.8	178.4	-75.3	169.4	0	0	0	111	M297 P389 E391	L289-M297 HydrophobicContact CD1-CE 3.94Å; L289-M297 HydrophobicContact CD1-SD 3.37Å; L289-M297 WeakPolarHBondContact CD1-SD 3.18Å; L289-P389 WeakPolarHBondContact CB-O 3.2Å; L289-P389 HydrophobicContact CD1-CB 4.3Å; L289-P389 HydrophobicContact CD1-CG 3.98Å; L289-P389 WeakPolarHBondContact CG-O 3.43Å; L289-P389 PolarHBondContact N-O 3.3Å; L289-E391 HydrophobicContact CD2-CG 4.48Å
290	P	79.8	Confident	84.2	Confident	62 Å²	62	42.3 Å²	42.3	40%	0.403	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-67.9	145.5	177.4	30.3	-36.2	0	0	0	110.7	N292 L293	P290-N292 WeakPolarHBondContact CB-OD1 3.15Å; P290-N292 WeakPolarHBondContact CG-OD1 3.24Å; P290-N292 PolarHBondContact O-N 3.16Å; P290-N292 VanDerWaalsContact O-N 3.15Å; P290-N292 PolarHBondContact O-OD1 3.11Å; P290-L293 HydrophobicContact CG-CB 4.43Å; P290-L293 HydrophobicContact CG-CD1 3.78Å; P290-L293 HydrophobicContact CG-CG 4.02Å; P290-L293 PolarHBondContact O-N 3.1Å
291	Y	80	Confident	83.8	Confident	77 Å²	77	47.3 Å²	47.3	30%	0.302	26%	0.262	S	S	.	.	H	α-helix	trans	-60.4	-28.3	-173.5	-69	-61.7	0	0	0	113.9	L293 V294 Y295 F385 P388	Y291-L293 VanDerWaalsContact C-N 3.26Å; Y291-L293 PolarHBondContact O-N 3.29Å; Y291-V294 HydrophobicContact CD1-CG2 4.36Å; Y291-V294 WeakPolarHBondContact O-CB 3.46Å; Y291-V294 PolarHBondContact O-N 3.37Å; Y291-Y295 WeakPolarHBondContact O-CD2 3.1Å; Y291-F385 AromaticContact CD1-CD1 3.64Å; Y291-F385 HydrophobicContact CD1-CD1 3.64Å; Y291-F385 HydrophobicContact CD1-CE1 4.06Å; Y291-F385 AromaticContact CE1-CD1 3.94Å; Y291-F385 HydrophobicContact CE1-CD1 3.94Å; Y291-F385 PolarHBondContact OH-O 3.36Å; Y291-P388 HydrophobicContact CE1-CB 4.47Å; Y291-P388 HydrophobicContact CE1-CG 3.97Å
292	N	78.4	Confident	83.4	Confident	66 Å²	66	53.1 Å²	53.1	35%	0.353	29%	0.292	S	S	.	.	H	α-helix	trans	-60.1	-31.2	174.4	64.1	-14.1	0	0	0	114	P290 D554	P290-N292 WeakPolarHBondContact CB-OD1 3.15Å; P290-N292 WeakPolarHBondContact CG-OD1 3.24Å; P290-N292 PolarHBondContact O-N 3.16Å; P290-N292 VanDerWaalsContact O-N 3.15Å; P290-N292 PolarHBondContact O-OD1 3.11Å; N292-D554 WeakPolarHBondContact CA-O 3.42Å
293	L	80.4	Confident	83	Confident	92 Å²	92	55.3 Å²	55.3	48%	0.482	31%	0.305	S	S	.	.	H	α-helix	trans	-86.8	-21.2	179.7	-66.6	-179.6	0	0	0	112.6	P290 Y291 Y295 A296 M297	P290-L293 HydrophobicContact CG-CB 4.43Å; P290-L293 HydrophobicContact CG-CD1 3.78Å; P290-L293 HydrophobicContact CG-CG 4.02Å; P290-L293 PolarHBondContact O-N 3.1Å; Y291-L293 VanDerWaalsContact C-N 3.26Å; Y291-L293 PolarHBondContact O-N 3.29Å; L293-Y295 VanDerWaalsContact C-N 3.29Å; L293-Y295 PolarHBondContact O-N 2.82Å; L293-A296 PolarHBondContact O-N 2.98Å; L293-M297 PolarHBondContact O-N 3.13Å
294	V	83.3	Confident	82.7	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-57	-42.2	-178.9	172.4	0	0	0	0	111.5	Y291 A296 M297 I298 L381 F384	Y291-V294 HydrophobicContact CD1-CG2 4.36Å; Y291-V294 WeakPolarHBondContact O-CB 3.46Å; Y291-V294 PolarHBondContact O-N 3.37Å; V294-A296 VanDerWaalsContact C-N 3.31Å; V294-A296 PolarHBondContact O-N 2.66Å; V294-M297 PolarHBondContact O-N 3.4Å; V294-I298 HydrophobicContact CG1-CD1 4.15Å; V294-I298 WeakPolarHBondContact O-CG1 3.48Å; V294-I298 PolarHBondContact O-N 2.87Å; V294-L381 HydrophobicContact CG1-CD1 4.4Å; V294-F384 HydrophobicContact CG1-CB 3.46Å; V294-F384 VanDerWaalsContact CG1-CB 3.46Å; V294-F384 HydrophobicContact CG1-CD2 3.83Å; V294-F384 HydrophobicContact CG1-CG 4.15Å
295	Y	80.4	Confident	82.7	Confident	32 Å²	32	60.6 Å²	60.6	13%	0.125	34%	0.342	C	S	.	.	H	α-helix	trans	-60.7	-36.7	-179.9	-64.7	-78.8	0	0	0	113.8	Y291 L293 L381 F385 L550 I555 I558	Y291-Y295 WeakPolarHBondContact O-CD2 3.1Å; L293-Y295 VanDerWaalsContact C-N 3.29Å; L293-Y295 PolarHBondContact O-N 2.82Å; Y295-L381 HydrophobicContact CD1-CD1 3.9Å; Y295-L381 HydrophobicContact CE1-CD1 3.87Å; Y295-L381 HydrophobicContact CE1-CD2 4.41Å; Y295-F385 AromaticContact CE1-CZ 3.91Å; Y295-F385 HydrophobicContact CE1-CZ 3.91Å; Y295-F385 HydrophobicContact CE2-CZ 4.37Å; Y295-F385 AromaticContact CZ-CZ 3.65Å; Y295-F385 WeakPolarHBondContact OH-CZ 3.42Å; Y295-L550 WeakPolarHBondContact OH-CD2 3.15Å; Y295-I555 HydrophobicContact CE2-CG1 4.49Å; Y295-I558 HydrophobicContact CD1-CD1 3.67Å; Y295-I558 HydrophobicContact CD2-CD1 3.93Å; Y295-I558 HydrophobicContact CE1-CD1 4.04Å; Y295-I558 HydrophobicContact CE2-CD1 4.29Å; Y295-I558 HydrophobicContact CG-CD1 3.59Å
296	A	77.8	Confident	82.7	Confident	50 Å²	50	62.7 Å²	62.7	41%	0.413	35%	0.35	S	S	.	.	H	α-helix	trans	-79.8	-34.6	178.2	0	0	0	0	0	111.6	L293 V294 I298 I299	L293-A296 PolarHBondContact O-N 2.98Å; V294-A296 VanDerWaalsContact C-N 3.31Å; V294-A296 PolarHBondContact O-N 2.66Å; A296-I298 PolarHBondContact O-N 3.35Å; A296-I299 PolarHBondContact O-N 3.01Å
297	M	79.9	Confident	82.9	Confident	96 Å²	96	64 Å²	64	47%	0.473	36%	0.356	S	S	.	.	H	α-helix	trans	-67.6	-31.3	-177.2	-169.5	177.5	-174.6	0	0	113.6	L289 L293 V294 I299 P389	L289-M297 HydrophobicContact CD1-CE 3.94Å; L289-M297 HydrophobicContact CD1-SD 3.37Å; L289-M297 WeakPolarHBondContact CD1-SD 3.18Å; L293-M297 PolarHBondContact O-N 3.13Å; V294-M297 PolarHBondContact O-N 3.4Å; M297-I299 VanDerWaalsContact C-N 3.25Å; M297-I299 PolarHBondContact O-N 3.23Å; M297-P389 HydrophobicContact CE-CB 4.29Å; M297-P389 HydrophobicContact CE-CG 4.12Å; M297-P389 HydrophobicContact SD-CB 4.46Å; M297-P389 HydrophobicContact SD-CG 3.69Å
298	I	81.5	Confident	83.3	Confident	16 Å²	16	66.7 Å²	66.7	8%	0.082	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-32.9	178.6	-63.8	162.6	0	0	0	111.3	V294 A296 D300 Y377 Y380 L381 F384	V294-I298 HydrophobicContact CG1-CD1 4.15Å; V294-I298 WeakPolarHBondContact O-CG1 3.48Å; V294-I298 PolarHBondContact O-N 2.87Å; A296-I298 PolarHBondContact O-N 3.35Å; I298-D300 PolarHBondContact O-N 2.84Å; I298-Y377 HydrophobicContact CB-CD2 4.27Å; I298-Y377 HydrophobicContact CB-CE2 3.99Å; I298-Y377 HydrophobicContact CD1-CE2 4.32Å; I298-Y377 HydrophobicContact CG2-CD2 3.49Å; I298-Y377 VanDerWaalsContact CG2-CD2 3.49Å; I298-Y377 HydrophobicContact CG2-CE2 3.72Å; I298-Y377 HydrophobicContact CG2-CG 4.39Å; I298-Y380 HydrophobicContact CG2-CG 4.41Å; I298-L381 HydrophobicContact CD1-CB 3.9Å; I298-L381 HydrophobicContact CD1-CD1 3.63Å; I298-L381 HydrophobicContact CD1-CG 4.4Å; I298-F384 HydrophobicContact CD1-CD2 4.03Å; I298-F384 HydrophobicContact CG1-CD2 3.52Å; I298-F384 HydrophobicContact CG1-CE2 3.65Å
299	I	77.3	Confident	83.7	Confident	70 Å²	70	66.3 Å²	66.3	36%	0.359	36%	0.364	S	S	.	.	S	Bend	trans	-94.1	75	179.7	-54.8	179.3	0	0	0	108.3	A296 M297 L304 Y377	A296-I299 PolarHBondContact O-N 3.01Å; M297-I299 VanDerWaalsContact C-N 3.25Å; M297-I299 PolarHBondContact O-N 3.23Å; I299-L304 HydrophobicContact CG2-CB 3.87Å; I299-L304 HydrophobicContact CG2-CD1 4Å; I299-L304 HydrophobicContact CG2-CG 4.38Å; I299-Y377 HydrophobicContact CD1-CD2 4.46Å; I299-Y377 HydrophobicContact CD1-CE2 3.98Å; I299-Y377 HydrophobicContact CG1-CD2 4.16Å; I299-Y377 HydrophobicContact CG1-CE2 3.85Å
300	D	79.1	Confident	84.1	Confident	72 Å²	72	67.1 Å²	67.1	39%	0.385	37%	0.37	S	S	.	.			trans	-55.2	142	172.8	-178.6	-87.3	0	0	0	110.6	I298 I302 V303 L304	I298-D300 PolarHBondContact O-N 2.84Å; D300-I302 PolarHBondContact O-N 3.22Å; D300-I302 VanDerWaalsContact O-N 3.09Å; D300-I302 WeakPolarHBondContact OD1-CB 3.49Å; D300-I302 WeakPolarHBondContact OD1-CG1 3.36Å; D300-I302 PolarHBondContact OD1-N 3.07Å; D300-V303 HydrophobicContact CB-CB 4.34Å; D300-V303 HydrophobicContact CB-CG2 4.02Å; D300-V303 WeakPolarHBondContact O-CA 3.39Å; D300-V303 WeakPolarHBondContact O-CB 3.44Å; D300-V303 PolarHBondContact O-N 2.95Å; D300-L304 PolarHBondContact O-N 3Å
301	P	85.6	Confident	84.6	Confident	104 Å²	104	65 Å²	65	68%	0.675	36%	0.355	S	S	*	.	H	α-helix	trans	-54.2	-32.5	-178.5	-27.4	35.1	0	0	0	114.1	G305	P301-G305 PolarHBondContact O-N 3.14Å
302	I	86.9	Confident	85.2	Confident	124 Å²	124	63.6 Å²	63.6	64%	0.636	35%	0.352	S	S	*	.	H	α-helix	trans	-69.9	-45.1	177	-58	173.4	0	0	0	109.7	D300 L304 G305 I306	D300-I302 PolarHBondContact O-N 3.22Å; D300-I302 VanDerWaalsContact O-N 3.09Å; D300-I302 WeakPolarHBondContact OD1-CB 3.49Å; D300-I302 WeakPolarHBondContact OD1-CG1 3.36Å; D300-I302 PolarHBondContact OD1-N 3.07Å; I302-L304 VanDerWaalsContact C-N 3.35Å; I302-L304 PolarHBondContact O-N 3.35Å; I302-G305 PolarHBondContact O-N 3.2Å; I302-G305 VanDerWaalsContact O-N 3.17Å; I302-I306 HydrophobicContact CG2-CD1 4.12Å; I302-I306 WeakPolarHBondContact O-CG1 3.27Å; I302-I306 PolarHBondContact O-N 3.35Å
303	V	86.4	Confident	85.7	Confident	45 Å²	45	65.1 Å²	65.1	27%	0.273	36%	0.36	S	S	.	.	H	α-helix	trans	-62.1	-43.8	177.2	177.2	0	0	0	0	110.4	D300 G305 I306 I307 M376	D300-V303 HydrophobicContact CB-CB 4.34Å; D300-V303 HydrophobicContact CB-CG2 4.02Å; D300-V303 WeakPolarHBondContact O-CA 3.39Å; D300-V303 WeakPolarHBondContact O-CB 3.44Å; D300-V303 PolarHBondContact O-N 2.95Å; V303-G305 VanDerWaalsContact C-N 3.31Å; V303-G305 PolarHBondContact O-N 3.43Å; V303-I306 PolarHBondContact O-N 3.47Å; V303-I307 HydrophobicContact CG1-CD1 3.85Å; V303-I307 HydrophobicContact CG1-CG1 4.43Å; V303-I307 VanDerWaalsContact O-CG1 3.27Å; V303-I307 WeakPolarHBondContact O-CG1 3.46Å; V303-I307 PolarHBondContact O-N 3.28Å; V303-M376 HydrophobicContact CG1-CE 4.11Å
304	L	87.4	Confident	86.1	Confident	96 Å²	96	61.3 Å²	61.3	50%	0.503	34%	0.34	S	S	.	.	H	α-helix	trans	-59.4	-42.7	173.9	-173.8	62.9	0	0	0	111.7	I299 D300 I302 I307 F308	I299-L304 HydrophobicContact CG2-CB 3.87Å; I299-L304 HydrophobicContact CG2-CD1 4Å; I299-L304 HydrophobicContact CG2-CG 4.38Å; D300-L304 PolarHBondContact O-N 3Å; I302-L304 VanDerWaalsContact C-N 3.35Å; I302-L304 PolarHBondContact O-N 3.35Å; L304-I307 PolarHBondContact O-N 3.12Å; L304-F308 WeakPolarHBondContact O-CB 3.26Å; L304-F308 PolarHBondContact O-N 3.07Å
305	G	90.3	Very high	86.3	Confident	33 Å²	33	61.3 Å²	61.3	34%	0.34	34%	0.34	S	S	.	.	H	α-helix	trans	-59.7	-44	174.8	0	0	0	0	0	112.5	P301 I302 V303 F308 V309	P301-G305 PolarHBondContact O-N 3.14Å; I302-G305 PolarHBondContact O-N 3.2Å; I302-G305 VanDerWaalsContact O-N 3.17Å; V303-G305 VanDerWaalsContact C-N 3.31Å; V303-G305 PolarHBondContact O-N 3.43Å; G305-F308 PolarHBondContact O-N 2.81Å; G305-V309 WeakPolarHBondContact O-CG2 3.41Å; G305-V309 PolarHBondContact O-N 2.83Å
306	I	89.3	Confident	86.7	Confident	101 Å²	101	62.7 Å²	62.7	52%	0.518	35%	0.349	S	S	.	.	H	α-helix	trans	-63.7	-47.3	176.4	-66.3	165.1	0	0	0	110.7	I302 V303 F308 V309 V310	I302-I306 HydrophobicContact CG2-CD1 4.12Å; I302-I306 WeakPolarHBondContact O-CG1 3.27Å; I302-I306 PolarHBondContact O-N 3.35Å; V303-I306 PolarHBondContact O-N 3.47Å; I306-F308 VanDerWaalsContact C-N 3.27Å; I306-F308 PolarHBondContact O-N 3.02Å; I306-V309 PolarHBondContact O-N 2.84Å; I306-V310 HydrophobicContact CG2-CG2 4.34Å; I306-V310 WeakPolarHBondContact O-CB 3.47Å; I306-V310 VanDerWaalsContact O-CG2 3.32Å; I306-V310 WeakPolarHBondContact O-CG2 3.38Å; I306-V310 PolarHBondContact O-N 3.36Å
307	I	89.5	Confident	87.1	Confident	40 Å²	40	64.3 Å²	64.3	21%	0.205	35%	0.35	C	S	.	.	H	α-helix	trans	-57.8	-43.4	176.7	-68	164.2	0	0	0	110.3	V303 L304 V310 F311 L344 L373	V303-I307 HydrophobicContact CG1-CD1 3.85Å; V303-I307 HydrophobicContact CG1-CG1 4.43Å; V303-I307 VanDerWaalsContact O-CG1 3.27Å; V303-I307 WeakPolarHBondContact O-CG1 3.46Å; V303-I307 PolarHBondContact O-N 3.28Å; L304-I307 PolarHBondContact O-N 3.12Å; I307-V310 PolarHBondContact O-N 3.3Å; I307-F311 VanDerWaalsContact O-CB 3.27Å; I307-F311 WeakPolarHBondContact O-CB 3.27Å; I307-F311 PolarHBondContact O-N 3.19Å; I307-L344 HydrophobicContact CG2-CD2 3.96Å; I307-L373 HydrophobicContact CD1-CD1 3.48Å; I307-L373 VanDerWaalsContact CD1-CD1 3.48Å; I307-L373 HydrophobicContact CG1-CD1 3.83Å; I307-L373 HydrophobicContact CG2-CD2 4.37Å
308	F	91.1	Very high	87.3	Confident	102 Å²	102	60.2 Å²	60.2	45%	0.447	33%	0.33	S	S	.	.	H	α-helix	trans	-63.9	-44.4	178	-175	-105.8	0	0	0	112.1	L304 G305 I306 F311 L312 L335	L304-F308 WeakPolarHBondContact O-CB 3.26Å; L304-F308 PolarHBondContact O-N 3.07Å; G305-F308 PolarHBondContact O-N 2.81Å; I306-F308 VanDerWaalsContact C-N 3.27Å; I306-F308 PolarHBondContact O-N 3.02Å; F308-F311 WeakPolarHBondContact O-CB 3.37Å; F308-F311 PolarHBondContact O-N 3.11Å; F308-L312 HydrophobicContact CD1-CD1 3.99Å; F308-L312 HydrophobicContact CD1-CG 4.48Å; F308-L312 HydrophobicContact CE1-CD1 3.55Å; F308-L312 HydrophobicContact CE1-CG 4.2Å; F308-L312 HydrophobicContact CZ-CD1 4.02Å; F308-L312 HydrophobicContact CZ-CD2 4.32Å; F308-L312 HydrophobicContact CZ-CG 4.3Å; F308-L312 WeakPolarHBondContact O-CG 3.28Å; F308-L312 PolarHBondContact O-N 2.98Å; F308-L335 HydrophobicContact CE2-CD1 3.98Å; F308-L335 HydrophobicContact CZ-CD1 3.95Å
309	V	91.6	Very high	87.3	Confident	79 Å²	79	60.6 Å²	60.6	48%	0.479	33%	0.332	S	S	.	.	H	α-helix	trans	-62.8	-45.5	175.7	171	0	0	0	0	111.1	G305 I306 F311 L312 L313	G305-V309 WeakPolarHBondContact O-CG2 3.41Å; G305-V309 PolarHBondContact O-N 2.83Å; I306-V309 PolarHBondContact O-N 2.84Å; V309-F311 VanDerWaalsContact C-N 3.32Å; V309-F311 PolarHBondContact O-N 3.42Å; V309-L312 PolarHBondContact O-N 3.1Å; V309-L313 HydrophobicContact CG1-CD1 4.12Å; V309-L313 HydrophobicContact CG1-CG 4.47Å; V309-L313 WeakPolarHBondContact O-CG 3.44Å; V309-L313 PolarHBondContact O-N 2.92Å
310	V	89.9	Confident	87.5	Confident	53 Å²	53	61 Å²	61	32%	0.321	33%	0.33	S	S	.	.	H	α-helix	trans	-61.2	-42.4	176.5	170.2	0	0	0	0	110.8	I306 I307 L312 L313 L314	I306-V310 HydrophobicContact CG2-CG2 4.34Å; I306-V310 WeakPolarHBondContact O-CB 3.47Å; I306-V310 VanDerWaalsContact O-CG2 3.32Å; I306-V310 WeakPolarHBondContact O-CG2 3.38Å; I306-V310 PolarHBondContact O-N 3.36Å; I307-V310 PolarHBondContact O-N 3.3Å; V310-L312 PolarHBondContact O-N 2.92Å; V310-L313 PolarHBondContact O-N 2.86Å; V310-L314 HydrophobicContact CG1-CD1 3.64Å; V310-L314 HydrophobicContact CG1-CG 4.26Å; V310-L314 WeakPolarHBondContact O-CB 3.44Å; V310-L314 VanDerWaalsContact O-CG 3.3Å; V310-L314 WeakPolarHBondContact O-CG 3.2Å; V310-L314 PolarHBondContact O-N 3.03Å
311	F	91.4	Very high	87.5	Confident	17 Å²	17	58.7 Å²	58.7	8%	0.075	32%	0.319	C	S	.	.	H	α-helix	trans	-58.7	-45.1	174.8	167.4	-99.6	0	0	0	112.1	I307 F308 V309 S315 L341 L344	I307-F311 VanDerWaalsContact O-CB 3.27Å; I307-F311 WeakPolarHBondContact O-CB 3.27Å; I307-F311 PolarHBondContact O-N 3.19Å; F308-F311 WeakPolarHBondContact O-CB 3.37Å; F308-F311 PolarHBondContact O-N 3.11Å; V309-F311 VanDerWaalsContact C-N 3.32Å; V309-F311 PolarHBondContact O-N 3.42Å; F311-S315 VanDerWaalsContact O-CB 3.26Å; F311-S315 WeakPolarHBondContact O-CB 3.39Å; F311-S315 PolarHBondContact O-N 3.31Å; F311-S315 PolarHBondContact O-OG 2.84Å; F311-L341 HydrophobicContact CE2-CB 3.87Å; F311-L341 HydrophobicContact CE2-CD1 4.23Å; F311-L344 HydrophobicContact CB-CD2 3.98Å; F311-L344 HydrophobicContact CD2-CD2 4.42Å
312	L	90.8	Very high	86.9	Confident	47 Å²	47	58.7 Å²	58.7	25%	0.246	31%	0.31	C	S	.	.	H	α-helix	trans	-63.9	-45.1	177.4	-69.2	178	0	0	0	111.5	F308 V309 V310 S315 I316 I334	F308-L312 HydrophobicContact CD1-CD1 3.99Å; F308-L312 HydrophobicContact CD1-CG 4.48Å; F308-L312 HydrophobicContact CE1-CD1 3.55Å; F308-L312 HydrophobicContact CE1-CG 4.2Å; F308-L312 HydrophobicContact CZ-CD1 4.02Å; F308-L312 HydrophobicContact CZ-CD2 4.32Å; F308-L312 HydrophobicContact CZ-CG 4.3Å; F308-L312 WeakPolarHBondContact O-CG 3.28Å; F308-L312 PolarHBondContact O-N 2.98Å; V309-L312 PolarHBondContact O-N 3.1Å; V310-L312 PolarHBondContact O-N 2.92Å; L312-S315 PolarHBondContact O-N 3.04Å; L312-I316 VanDerWaalsContact O-CG1 3.27Å; L312-I316 WeakPolarHBondContact O-CG1 3.41Å; L312-I316 PolarHBondContact O-N 3.08Å; L312-I334 HydrophobicContact CD2-CG2 3.9Å
313	L	90.3	Very high	86	Confident	99 Å²	99	58.7 Å²	58.7	52%	0.518	31%	0.305	S	S	.	.	H	α-helix	trans	-60.9	-47.4	177.9	-70.1	174.6	0	0	0	111.7	V309 V310 S315 I316 L317	V309-L313 HydrophobicContact CG1-CD1 4.12Å; V309-L313 HydrophobicContact CG1-CG 4.47Å; V309-L313 WeakPolarHBondContact O-CG 3.44Å; V309-L313 PolarHBondContact O-N 2.92Å; V310-L313 PolarHBondContact O-N 2.86Å; L313-S315 VanDerWaalsContact C-N 3.33Å; L313-S315 PolarHBondContact O-N 3.07Å; L313-I316 PolarHBondContact O-N 2.99Å; L313-L317 WeakPolarHBondContact O-CB 3.27Å; L313-L317 VanDerWaalsContact O-CG 3.26Å; L313-L317 WeakPolarHBondContact O-CG 3.5Å; L313-L317 PolarHBondContact O-N 2.77Å
314	L	88.1	Confident	84.9	Confident	11 Å²	11	62.8 Å²	62.8	6%	0.058	32%	0.323	C	S	.	.	H	α-helix	trans	-64.6	-38	177.8	-70.1	170.4	0	0	0	111.8	V310 L317 L318 I365 L366	V310-L314 HydrophobicContact CG1-CD1 3.64Å; V310-L314 HydrophobicContact CG1-CG 4.26Å; V310-L314 WeakPolarHBondContact O-CB 3.44Å; V310-L314 VanDerWaalsContact O-CG 3.3Å; V310-L314 WeakPolarHBondContact O-CG 3.2Å; V310-L314 PolarHBondContact O-N 3.03Å; L314-L317 PolarHBondContact O-N 3.36Å; L314-L318 WeakPolarHBondContact O-CB 3.24Å; L314-L318 WeakPolarHBondContact O-CG 3.4Å; L314-L318 PolarHBondContact O-N 2.8Å; L314-I365 HydrophobicContact CD2-CG2 4.26Å; L314-L366 HydrophobicContact CD1-CD1 3.75Å
315	S	88.8	Confident	83.7	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-63.3	-44.3	176.2	-63.2	0	0	0	0	112	F311 L312 L313 L318 I319 I334 N337 S340	F311-S315 VanDerWaalsContact O-CB 3.26Å; F311-S315 WeakPolarHBondContact O-CB 3.39Å; F311-S315 PolarHBondContact O-N 3.31Å; F311-S315 PolarHBondContact O-OG 2.84Å; L312-S315 PolarHBondContact O-N 3.04Å; L313-S315 VanDerWaalsContact C-N 3.33Å; L313-S315 PolarHBondContact O-N 3.07Å; S315-L318 PolarHBondContact O-N 3.46Å; S315-I319 WeakPolarHBondContact O-CD1 3.24Å; S315-I319 VanDerWaalsContact O-CG1 3.26Å; S315-I319 WeakPolarHBondContact O-CG1 3.43Å; S315-I319 PolarHBondContact O-N 3.12Å; S315-I319 VanDerWaalsContact O-N 3.1Å; S315-I334 WeakPolarHBondContact CB-O 3.44Å; S315-N337 PolarHBondContact O-ND2 2.75Å; S315-S340 WeakPolarHBondContact OG-CB 3.43Å; S315-S340 PolarHBondContact OG-OG 2.78Å; S315-S340 VanDerWaalsContact OG-OG 3.12Å
316	I	87.3	Confident	82.4	Confident	62 Å²	62	66.6 Å²	66.6	32%	0.318	33%	0.326	S	S	.	.	H	α-helix	trans	-62.6	-47.7	175.8	-68.1	164.1	0	0	0	110.4	L312 L313 L318 I319 Y320 L329 I334	L312-I316 VanDerWaalsContact O-CG1 3.27Å; L312-I316 WeakPolarHBondContact O-CG1 3.41Å; L312-I316 PolarHBondContact O-N 3.08Å; L313-I316 PolarHBondContact O-N 2.99Å; I316-L318 PolarHBondContact O-N 3.03Å; I316-I319 PolarHBondContact O-N 3.24Å; I316-Y320 VanDerWaalsContact O-CB 3.29Å; I316-Y320 WeakPolarHBondContact O-CB 3.31Å; I316-Y320 PolarHBondContact O-N 3.34Å; I316-L329 HydrophobicContact CG2-CD2 4.49Å; I316-I334 HydrophobicContact CG1-CD1 4.23Å; I316-I334 HydrophobicContact CG1-CG1 4.4Å; I316-I334 HydrophobicContact CG1-CG2 4.03Å
317	L	85.9	Confident	81	Confident	83 Å²	83	70.3 Å²	70.3	44%	0.435	34%	0.341	S	S	.	.	H	α-helix	trans	-61.8	-41.1	-179.8	-72.6	170.8	0	0	0	112.3	L313 L314 S321 I362	L313-L317 WeakPolarHBondContact O-CB 3.27Å; L313-L317 VanDerWaalsContact O-CG 3.26Å; L313-L317 WeakPolarHBondContact O-CG 3.5Å; L313-L317 PolarHBondContact O-N 2.77Å; L314-L317 PolarHBondContact O-N 3.36Å; L317-S321 VanDerWaalsContact O-CB 3.23Å; L317-S321 WeakPolarHBondContact O-CB 3.35Å; L317-S321 PolarHBondContact O-N 3.28Å; L317-I362 HydrophobicContact CB-CD1 4.17Å; L317-I362 HydrophobicContact CB-CG2 4.35Å
318	L	84.5	Confident	79.7	Confident	11 Å²	11	71.1 Å²	71.1	6%	0.058	35%	0.346	C	S	.	.	H	α-helix	trans	-65.8	-46.1	177.5	-79	170.8	0	0	0	112.3	L314 S315 I316 S321 Q322 L359 I362 I363 L366	L314-L318 WeakPolarHBondContact O-CB 3.24Å; L314-L318 WeakPolarHBondContact O-CG 3.4Å; L314-L318 PolarHBondContact O-N 2.8Å; S315-L318 PolarHBondContact O-N 3.46Å; I316-L318 PolarHBondContact O-N 3.03Å; L318-S321 PolarHBondContact O-N 3.19Å; L318-Q322 WeakPolarHBondContact O-CB 3.34Å; L318-Q322 PolarHBondContact O-N 2.85Å; L318-Q322 VanDerWaalsContact O-N 3.11Å; L318-L359 HydrophobicContact CD2-CD1 3.97Å; L318-I362 HydrophobicContact CD2-CG2 3.66Å; L318-I362 HydrophobicContact CG-CG2 3.87Å; L318-I363 HydrophobicContact CD2-CG1 4.16Å; L318-L366 HydrophobicContact CD1-CD2 4.24Å
319	I	82.9	Confident	78.6	Confident	23 Å²	23	68.7 Å²	68.7	12%	0.118	34%	0.337	C	S	.	.	H	α-helix	trans	-62.5	-48	178.5	-67.4	165.2	0	0	0	110	S315 I316 S321 Q322 K323 L329 N333 I334	S315-I319 WeakPolarHBondContact O-CD1 3.24Å; S315-I319 VanDerWaalsContact O-CG1 3.26Å; S315-I319 WeakPolarHBondContact O-CG1 3.43Å; S315-I319 PolarHBondContact O-N 3.12Å; S315-I319 VanDerWaalsContact O-N 3.1Å; I316-I319 PolarHBondContact O-N 3.24Å; I319-S321 PolarHBondContact O-N 2.85Å; I319-Q322 PolarHBondContact O-N 3.17Å; I319-K323 PolarHBondContact O-N 2.83Å; I319-L329 HydrophobicContact CB-CD2 4.39Å; I319-L329 HydrophobicContact CG2-CD2 4.02Å; I319-N333 HydrophobicContact CD1-CB 4.26Å; I319-I334 HydrophobicContact CD1-CG1 4.02Å
320	Y	81.2	Confident	78	Confident	80 Å²	80	67.7 Å²	67.7	31%	0.314	33%	0.334	S	S	.	.	H	α-helix	trans	-60	-46.2	178.7	179.7	-106.6	0	0	0	111.9	I316 Q322 M324 W326	I316-Y320 VanDerWaalsContact O-CB 3.29Å; I316-Y320 WeakPolarHBondContact O-CB 3.31Å; I316-Y320 PolarHBondContact O-N 3.34Å; Y320-Q322 VanDerWaalsContact C-N 3.31Å; Y320-Q322 PolarHBondContact O-N 2.84Å; Y320-M324 VanDerWaalsContact O-CA 3.32Å; Y320-M324 WeakPolarHBondContact O-CA 3.49Å; Y320-M324 PolarHBondContact O-N 2.84Å; Y320-W326 HydrophobicContact CD2-CZ2 4.17Å; Y320-W326 AromaticContact CE2-CE2 3.69Å; Y320-W326 AromaticContact CE2-CZ2 3.9Å; Y320-W326 HydrophobicContact CE2-CZ2 3.9Å; Y320-W326 AromaticContact CE2-NE1 3.46Å
321	S	77.9	Confident	77.4	Confident	22 Å²	22	72 Å²	72	15%	0.154	36%	0.355	C	S	.	.	H	α-helix	trans	-71.4	-21.9	-177.5	-174.2	0	0	0	0	114	L317 L318 I319 L359	L317-S321 VanDerWaalsContact O-CB 3.23Å; L317-S321 WeakPolarHBondContact O-CB 3.35Å; L317-S321 PolarHBondContact O-N 3.28Å; L318-S321 PolarHBondContact O-N 3.19Å; I319-S321 PolarHBondContact O-N 2.85Å; S321-L359 PolarHBondContact OG-N 3.46Å
322	Q	72.9	Confident	76.8	Confident	104 Å²	104	73.7 Å²	73.7	49%	0.486	37%	0.371	S	S	.	.	H	α-helix	trans	-84.3	-35.1	-177.6	-162.6	179.7	-21.6	0	0	112.6	L318 I319 Y320	L318-Q322 WeakPolarHBondContact O-CB 3.34Å; L318-Q322 PolarHBondContact O-N 2.85Å; L318-Q322 VanDerWaalsContact O-N 3.11Å; I319-Q322 PolarHBondContact O-N 3.17Å; Y320-Q322 VanDerWaalsContact C-N 3.31Å; Y320-Q322 PolarHBondContact O-N 2.84Å
323	K	68.1	Low	76.2	Confident	124 Å²	124	75.4 Å²	75.4	54%	0.539	38%	0.381	S	S	.	.	H	α-helix	trans	-116.7	-8.3	-176.1	-67.9	-172.6	-178.8	-171.9	0	115	I319 S325 D328	I319-K323 PolarHBondContact O-N 2.83Å; K323-S325 PolarHBondContact O-N 2.87Å; K323-S325 VanDerWaalsContact O-N 3.07Å; K323-D328 HydrophobicContact CD-CB 4.45Å; K323-D328 WeakPolarHBondContact CD-OD2 3.46Å; K323-D328 WeakPolarHBondContact CE-OD2 3.2Å; K323-D328 IonicContact NZ-OD1 2.66Å; K323-D328 IonicContact NZ-OD2 3.84Å; K323-D328 PolarHBondContact NZ-OD2 2.7Å
324	M	64.5	Low	75.9	Confident	132 Å²	132	72.1 Å²	72.1	65%	0.65	36%	0.363	S	S	*	.	S	Bend	trans	50.7	32.5	-180	-131.3	-53.8	-168.8	0	0	112.9	Y320	Y320-M324 VanDerWaalsContact O-CA 3.32Å; Y320-M324 WeakPolarHBondContact O-CA 3.49Å; Y320-M324 PolarHBondContact O-N 2.84Å
325	S	62.2	Low	75.6	Confident	36 Å²	36	75.5 Å²	75.5	25%	0.252	38%	0.381	S	S	.	.			trans	-145.5	141.2	-177.1	175.8	0	0	0	0	109.6	K323 Q327	K323-S325 PolarHBondContact O-N 2.87Å; K323-S325 VanDerWaalsContact O-N 3.07Å; S325-Q327 VanDerWaalsContact C-N 3.3Å; S325-Q327 PolarHBondContact OG-N 2.89Å
326	W	61.6	Low	75.3	Confident	173 Å²	173	82.1 Å²	82.1	66%	0.655	42%	0.416	S	S	*	.	S	Bend	trans	-82.8	-5.5	178.3	-66.6	83.6	0	0	0	113.1	Y320 D328 L329	Y320-W326 HydrophobicContact CD2-CZ2 4.17Å; Y320-W326 AromaticContact CE2-CE2 3.69Å; Y320-W326 AromaticContact CE2-CZ2 3.9Å; Y320-W326 HydrophobicContact CE2-CZ2 3.9Å; Y320-W326 AromaticContact CE2-NE1 3.46Å; W326-D328 VanDerWaalsContact C-N 3.29Å; W326-D328 PolarHBondContact O-N 3.46Å; W326-L329 HydrophobicContact CB-CD1 4.27Å; W326-L329 HydrophobicContact CD2-CD1 4.03Å; W326-L329 HydrophobicContact CE3-CD1 3.21Å; W326-L329 HydrophobicContact CZ3-CD1 3.79Å; W326-L329 PolarHBondContact O-N 3.13Å
327	Q	60.9	Low	75.3	Confident	178 Å²	178	80 Å²	80	83%	0.832	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-17.4	-171.1	-68.6	175.8	-21.1	0	0	114.4	S325	S325-Q327 VanDerWaalsContact C-N 3.3Å; S325-Q327 PolarHBondContact OG-N 2.89Å
328	D	62.7	Low	75.2	Confident	58 Å²	58	79.7 Å²	79.7	31%	0.31	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	7.5	-177.5	-78.2	-51.1	0	0	0	114.5	K323 W326 S330 N333	K323-D328 HydrophobicContact CD-CB 4.45Å; K323-D328 WeakPolarHBondContact CD-OD2 3.46Å; K323-D328 WeakPolarHBondContact CE-OD2 3.2Å; K323-D328 IonicContact NZ-OD1 2.66Å; K323-D328 IonicContact NZ-OD2 3.84Å; K323-D328 PolarHBondContact NZ-OD2 2.7Å; W326-D328 VanDerWaalsContact C-N 3.29Å; W326-D328 PolarHBondContact O-N 3.46Å; D328-S330 PolarHBondContact O-N 3.29Å; D328-N333 PolarHBondContact O-ND2 2.71Å
329	L	67.9	Low	75.3	Confident	50 Å²	50	82 Å²	82	26%	0.262	41%	0.413	S	S	.	.			trans	-77.5	62.3	177.2	-69.4	166.6	0	0	0	111.3	I316 I319 W326 I334	I316-L329 HydrophobicContact CG2-CD2 4.49Å; I319-L329 HydrophobicContact CB-CD2 4.39Å; I319-L329 HydrophobicContact CG2-CD2 4.02Å; W326-L329 HydrophobicContact CB-CD1 4.27Å; W326-L329 HydrophobicContact CD2-CD1 4.03Å; W326-L329 HydrophobicContact CE3-CD1 3.21Å; W326-L329 HydrophobicContact CZ3-CD1 3.79Å; W326-L329 PolarHBondContact O-N 3.13Å; L329-I334 HydrophobicContact CB-CD1 4.31Å; L329-I334 HydrophobicContact CD2-CD1 3.93Å; L329-I334 HydrophobicContact CD2-CG1 4.14Å
330	S	78.6	Confident	75.5	Confident	59 Å²	59	80.9 Å²	80.9	41%	0.413	41%	0.408	S	S	.	.			trans	-74.1	141.2	164.2	174.5	0	0	0	0	109.6	D328 A332 N333 I334	D328-S330 PolarHBondContact O-N 3.29Å; S330-A332 PolarHBondContact O-N 3.48Å; S330-A332 PolarHBondContact OG-N 3.46Å; S330-N333 PolarHBondContact O-N 2.46Å; S330-I334 PolarHBondContact O-N 3.17Å; S330-I334 VanDerWaalsContact O-N 3.11Å
331	L	76.4	Confident	75.8	Confident	144 Å²	144	81.2 Å²	81.2	75%	0.754	41%	0.414	S	S	*	.	H	α-helix	trans	-52.3	-38.5	174.4	-167.1	101.4	0	0	0	111.4	I334 L335	L331-I334 PolarHBondContact O-N 3.44Å; L331-L335 WeakPolarHBondContact O-CB 2.98Å; L331-L335 PolarHBondContact O-N 2.79Å
332	A	78.5	Confident	76.3	Confident	51 Å²	51	84.8 Å²	84.8	42%	0.421	42%	0.424	S	S	.	.	H	α-helix	trans	-65.2	-39.5	177.6	0	0	0	0	0	112.4	S330 I334 L336	S330-A332 PolarHBondContact O-N 3.48Å; S330-A332 PolarHBondContact OG-N 3.46Å; A332-I334 VanDerWaalsContact C-N 3.33Å; A332-I334 PolarHBondContact O-N 2.91Å; A332-L336 VanDerWaalsContact O-CB 3.28Å; A332-L336 WeakPolarHBondContact O-CB 3.42Å; A332-L336 PolarHBondContact O-N 3.35Å
333	N	79.9	Confident	77	Confident	84 Å²	84	80.1 Å²	80.1	45%	0.449	40%	0.404	S	S	.	.	H	α-helix	trans	-70.5	-30.8	179.1	-70.6	-15.9	0	0	0	112.3	I319 D328 S330 N337	I319-N333 HydrophobicContact CD1-CB 4.26Å; D328-N333 PolarHBondContact O-ND2 2.71Å; S330-N333 PolarHBondContact O-N 2.46Å; N333-N337 WeakPolarHBondContact O-CB 3.33Å; N333-N337 PolarHBondContact O-N 3.25Å
334	I	82.9	Confident	78	Confident	29 Å²	29	74.7 Å²	74.7	15%	0.149	38%	0.381	C	S	.	.	H	α-helix	trans	-76.4	-46.8	177.4	-62.1	167.8	0	0	0	110.1	L312 S315 I316 I319 L329 S330 L331 A332	L312-I334 HydrophobicContact CD2-CG2 3.9Å; S315-I334 WeakPolarHBondContact CB-O 3.44Å; I316-I334 HydrophobicContact CG1-CD1 4.23Å; I316-I334 HydrophobicContact CG1-CG1 4.4Å; I316-I334 HydrophobicContact CG1-CG2 4.03Å; I319-I334 HydrophobicContact CD1-CG1 4.02Å; L329-I334 HydrophobicContact CB-CD1 4.31Å; L329-I334 HydrophobicContact CD2-CD1 3.93Å; L329-I334 HydrophobicContact CD2-CG1 4.14Å; S330-I334 PolarHBondContact O-N 3.17Å; S330-I334 VanDerWaalsContact O-N 3.11Å; L331-I334 PolarHBondContact O-N 3.44Å; A332-I334 VanDerWaalsContact C-N 3.33Å; A332-I334 PolarHBondContact O-N 2.91Å
335	L	82.8	Confident	79	Confident	83 Å²	83	73 Å²	73	44%	0.435	37%	0.374	S	S	.	.	H	α-helix	trans	-73.2	-34.9	-176.6	-169	69.1	0	0	0	112.8	F308 L331	F308-L335 HydrophobicContact CE2-CD1 3.98Å; F308-L335 HydrophobicContact CZ-CD1 3.95Å; L331-L335 WeakPolarHBondContact O-CB 2.98Å; L331-L335 PolarHBondContact O-N 2.79Å
336	L	81.6	Confident	80.1	Confident	139 Å²	139	73.8 Å²	73.8	73%	0.728	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	35.8	-178.9	-58.3	172.3	0	0	0	112.2	A332 D338	A332-L336 VanDerWaalsContact O-CB 3.28Å; A332-L336 WeakPolarHBondContact O-CB 3.42Å; A332-L336 PolarHBondContact O-N 3.35Å; L336-D338 PolarHBondContact O-N 2.79Å
337	N	86.5	Confident	81.4	Confident	18 Å²	18	70.8 Å²	70.8	10%	0.096	38%	0.381	C	S	.	.			trans	-73.3	93.3	176.4	-168.4	-22.2	0	0	0	111.1	S315 N333 K339 S340 L341	S315-N337 PolarHBondContact O-ND2 2.75Å; N333-N337 WeakPolarHBondContact O-CB 3.33Å; N333-N337 PolarHBondContact O-N 3.25Å; N337-K339 VanDerWaalsContact C-N 3.26Å; N337-K339 PolarHBondContact O-N 3.33Å; N337-K339 PolarHBondContact OD1-N 3.41Å; N337-S340 PolarHBondContact O-N 3.44Å; N337-S340 VanDerWaalsContact O-N 3.16Å; N337-S340 PolarHBondContact OD1-N 3.38Å; N337-L341 PolarHBondContact O-N 3.4Å
338	D	84.6	Confident	82.6	Confident	75 Å²	75	67.7 Å²	67.7	40%	0.401	38%	0.379	S	S	.	.	H	α-helix	trans	-52.4	-40.1	179.8	178.9	71.9	0	0	0	113.2	L336 L341 R342	L336-D338 PolarHBondContact O-N 2.79Å; D338-L341 PolarHBondContact O-N 3.16Å; D338-R342 WeakPolarHBondContact O-CB 3.49Å; D338-R342 VanDerWaalsContact O-CG 3.28Å; D338-R342 WeakPolarHBondContact O-CG 3.34Å; D338-R342 PolarHBondContact O-N 3.39Å; D338-R342 IonicContact OD1-CZ 3.45Å; D338-R342 IonicContact OD1-NE 3.57Å; D338-R342 PolarHBondContact OD1-NE 3.27Å; D338-R342 IonicContact OD1-NH2 2.78Å; D338-R342 PolarHBondContact OD1-NH2 3.35Å; D338-R342 IonicContact OD2-CZ 3.87Å; D338-R342 IonicContact OD2-NE 3.4Å; D338-R342 PolarHBondContact OD2-NE 2.97Å; D338-R342 IonicContact OD2-NH2 2.7Å; D338-R342 PolarHBondContact OD2-NH2 2.91Å
339	K	85.9	Confident	83.7	Confident	60 Å²	60	67.2 Å²	67.2	26%	0.261	37%	0.374	S	S	.	.	H	α-helix	trans	-68.3	-41.8	-179.2	-62	-179	-175.1	178.3	0	112.2	N337 G343 F349	N337-K339 VanDerWaalsContact C-N 3.26Å; N337-K339 PolarHBondContact O-N 3.33Å; N337-K339 PolarHBondContact OD1-N 3.41Å; K339-G343 PolarHBondContact O-N 2.79Å; K339-F349 HydrophobicContact CB-CD2 4.33Å; K339-F349 HydrophobicContact CG-CD2 4.42Å
340	S	86.9	Confident	84.4	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-68.1	-42.1	178	-170.6	0	0	0	0	110.8	S315 N337 G343 L344	S315-S340 WeakPolarHBondContact OG-CB 3.43Å; S315-S340 PolarHBondContact OG-OG 2.78Å; S315-S340 VanDerWaalsContact OG-OG 3.12Å; N337-S340 PolarHBondContact O-N 3.44Å; N337-S340 VanDerWaalsContact O-N 3.16Å; N337-S340 PolarHBondContact OD1-N 3.38Å; S340-G343 PolarHBondContact O-N 2.9Å; S340-L344 WeakPolarHBondContact O-CB 3.17Å; S340-L344 PolarHBondContact O-N 3.01Å
341	L	87.7	Confident	84.5	Confident	87 Å²	87	71.5 Å²	71.5	46%	0.455	39%	0.394	S	S	.	.	H	α-helix	trans	-65.6	-50.4	-179.2	-174.8	65.2	0	0	0	111.2	F311 N337 D338 G343 L344 L345	F311-L341 HydrophobicContact CE2-CB 3.87Å; F311-L341 HydrophobicContact CE2-CD1 4.23Å; N337-L341 PolarHBondContact O-N 3.4Å; D338-L341 PolarHBondContact O-N 3.16Å; L341-G343 VanDerWaalsContact C-N 3.33Å; L341-G343 PolarHBondContact O-N 3.37Å; L341-L344 PolarHBondContact O-N 3.38Å; L341-L345 HydrophobicContact CD1-CD1 4.22Å; L341-L345 HydrophobicContact CG-CD1 4.13Å; L341-L345 WeakPolarHBondContact O-CB 3.28Å; L341-L345 WeakPolarHBondContact O-CG 3.41Å; L341-L345 PolarHBondContact O-N 3.05Å
342	R	88.6	Confident	84.7	Confident	96 Å²	96	66.7 Å²	66.7	36%	0.362	37%	0.371	S	S	.	.	H	α-helix	trans	-59.8	-45.2	175.5	-71.8	-175.3	-162.4	-165.2	8.8	111.4	D338 L344 L345 G346 Q347 F349	D338-R342 WeakPolarHBondContact O-CB 3.49Å; D338-R342 VanDerWaalsContact O-CG 3.28Å; D338-R342 WeakPolarHBondContact O-CG 3.34Å; D338-R342 PolarHBondContact O-N 3.39Å; D338-R342 IonicContact OD1-CZ 3.45Å; D338-R342 IonicContact OD1-NE 3.57Å; D338-R342 PolarHBondContact OD1-NE 3.27Å; D338-R342 IonicContact OD1-NH2 2.78Å; D338-R342 PolarHBondContact OD1-NH2 3.35Å; D338-R342 IonicContact OD2-CZ 3.87Å; D338-R342 IonicContact OD2-NE 3.4Å; D338-R342 PolarHBondContact OD2-NE 2.97Å; D338-R342 IonicContact OD2-NH2 2.7Å; D338-R342 PolarHBondContact OD2-NH2 2.91Å; R342-L344 PolarHBondContact O-N 3.19Å; R342-L345 CarbonylContact O-C 3.56Å; R342-L345 PolarHBondContact O-N 3.08Å; R342-G346 PolarHBondContact O-N 3.27Å; R342-G346 VanDerWaalsContact O-N 3.13Å; R342-Q347 HydrophobicContact CB-CB 3.94Å; R342-Q347 HydrophobicContact CG-CB 4.32Å; R342-Q347 WeakPolarHBondContact O-CA 3.33Å; R342-Q347 WeakPolarHBondContact O-CB 3.37Å; R342-Q347 PolarHBondContact O-N 3.05Å; R342-F349 HydrophobicContact CB-CB 4.48Å
343	G	87.9	Confident	84.5	Confident	6 Å²	6	72.1 Å²	72.1	6%	0.062	39%	0.392	C	S	.	.	H	α-helix	trans	-63	-39.8	179.7	0	0	0	0	0	113.3	K339 S340 L341 G346 S370	K339-G343 PolarHBondContact O-N 2.79Å; S340-G343 PolarHBondContact O-N 2.9Å; L341-G343 VanDerWaalsContact C-N 3.33Å; L341-G343 PolarHBondContact O-N 3.37Å; G343-G346 PolarHBondContact O-N 3.33Å; G343-S370 WeakPolarHBondContact O-CB 3.31Å; G343-S370 PolarHBondContact O-OG 3.04Å
344	L	88.6	Confident	84.3	Confident	10 Å²	10	76 Å²	76	5%	0.052	41%	0.413	C	S	.	.	H	α-helix	trans	-68.9	-38.2	177.1	-170.3	64.5	0	0	0	111.9	I307 F311 S340 L341 R342 G346 L366 A369 S370 L373	I307-L344 HydrophobicContact CG2-CD2 3.96Å; F311-L344 HydrophobicContact CB-CD2 3.98Å; F311-L344 HydrophobicContact CD2-CD2 4.42Å; S340-L344 WeakPolarHBondContact O-CB 3.17Å; S340-L344 PolarHBondContact O-N 3.01Å; L341-L344 PolarHBondContact O-N 3.38Å; R342-L344 PolarHBondContact O-N 3.19Å; L344-G346 PolarHBondContact O-N 3.49Å; L344-L366 HydrophobicContact CB-CD1 4.42Å; L344-A369 HydrophobicContact CD1-CB 4.39Å; L344-S370 WeakPolarHBondContact O-CB 3.47Å; L344-S370 PolarHBondContact O-OG 2.96Å; L344-L373 HydrophobicContact CD1-CD2 4.15Å; L344-L373 HydrophobicContact CG-CD2 3.94Å
345	L	87.4	Confident	84.1	Confident	98 Å²	98	75.1 Å²	75.1	51%	0.513	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	1.7	175.2	-66.5	174.4	0	0	0	114	L341 R342 Q347	L341-L345 HydrophobicContact CD1-CD1 4.22Å; L341-L345 HydrophobicContact CG-CD1 4.13Å; L341-L345 WeakPolarHBondContact O-CB 3.28Å; L341-L345 WeakPolarHBondContact O-CG 3.41Å; L341-L345 PolarHBondContact O-N 3.05Å; R342-L345 CarbonylContact O-C 3.56Å; R342-L345 PolarHBondContact O-N 3.08Å; L345-Q347 VanDerWaalsContact C-N 3.28Å; L345-Q347 HydrophobicContact CB-CG 4.37Å; L345-Q347 PolarHBondContact O-N 2.71Å
346	G	85.3	Confident	84.1	Confident	52 Å²	52	73.9 Å²	73.9	54%	0.536	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	14.9	178.8	0	0	0	0	0	114.2	R342 G343 L344 S370	R342-G346 PolarHBondContact O-N 3.27Å; R342-G346 VanDerWaalsContact O-N 3.13Å; G343-G346 PolarHBondContact O-N 3.33Å; L344-G346 PolarHBondContact O-N 3.49Å; G346-S370 WeakPolarHBondContact CA-OG 3.19Å; G346-S370 PolarHBondContact N-OG 3.1Å
347	Q	88.3	Confident	84.2	Confident	110 Å²	110	76.3 Å²	76.3	51%	0.514	41%	0.413	S	S	.	.			trans	-85.1	146.9	176.2	-62.3	-177	-0.8	0	0	111.3	R342 L345	R342-Q347 HydrophobicContact CB-CB 3.94Å; R342-Q347 HydrophobicContact CG-CB 4.32Å; R342-Q347 WeakPolarHBondContact O-CA 3.33Å; R342-Q347 WeakPolarHBondContact O-CB 3.37Å; R342-Q347 PolarHBondContact O-N 3.05Å; L345-Q347 VanDerWaalsContact C-N 3.28Å; L345-Q347 HydrophobicContact CB-CG 4.37Å; L345-Q347 PolarHBondContact O-N 2.71Å
348	S	86.4	Confident	84	Confident	113 Å²	113	82.6 Å²	82.6	79%	0.79	44%	0.44	S	S	*	.			trans	-71.5	143.4	176.3	60	0	0	0	0	111.6
349	F	85.9	Confident	84	Confident	47 Å²	47	79.6 Å²	79.6	21%	0.206	42%	0.423	C	S	.	.			trans	-142.3	154.4	175.1	63.5	-94.4	0	0	0	110	K339 R342 F351 I363 L366	K339-F349 HydrophobicContact CB-CD2 4.33Å; K339-F349 HydrophobicContact CG-CD2 4.42Å; R342-F349 HydrophobicContact CB-CB 4.48Å; F349-F351 PolarHBondContact O-N 3.43Å; F349-I363 HydrophobicContact CZ-CG2 4.34Å; F349-L366 HydrophobicContact CE1-CD2 3.99Å; F349-L366 HydrophobicContact CZ-CD2 3.94Å
350	P	82.1	Confident	84	Confident	100 Å²	100	83.3 Å²	83.3	65%	0.649	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-66	124.2	-174.9	24.7	-33.7	0	0	0	111.9
351	F	80.2	Confident	84.1	Confident	100 Å²	100	88.4 Å²	88.4	44%	0.439	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-90	132.2	178.6	-173	-92.4	0	0	0	111.3	F349 L353 A355 R360 I363	F349-F351 PolarHBondContact O-N 3.43Å; F351-L353 PolarHBondContact O-N 2.83Å; F351-A355 HydrophobicContact CE1-CB 3.64Å; F351-A355 HydrophobicContact CE2-CB 4.4Å; F351-A355 HydrophobicContact CZ-CB 3.44Å; F351-A355 VanDerWaalsContact CZ-CB 3.44Å; F351-R360 HydrophobicContact CZ-CG 4.12Å; F351-I363 HydrophobicContact CD2-CD1 3.7Å; F351-I363 HydrophobicContact CD2-CG2 4.48Å; F351-I363 HydrophobicContact CE2-CD1 3.39Å; F351-I363 HydrophobicContact CE2-CG2 4.3Å; F351-I363 HydrophobicContact CZ-CD1 4.49Å
352	P	80	Confident	84.1	Confident	42 Å²	42	85.3 Å²	85.3	27%	0.273	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-71.5	130	180	26.1	-29.9	0	0	0	111.9	N354 A355 L359	P352-N354 VanDerWaalsContact C-N 3.26Å; P352-N354 PolarHBondContact O-N 3.15Å; P352-A355 HydrophobicContact CG-CB 4.26Å; P352-A355 PolarHBondContact O-N 2.82Å; P352-L359 HydrophobicContact CG-CD2 3.68Å
353	L	74.1	Confident	84	Confident	166 Å²	166	82 Å²	82	87%	0.869	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-34.4	-178.9	-68.4	165.7	0	0	0	113.1	F351	F351-L353 PolarHBondContact O-N 2.83Å
354	N	76.3	Confident	84	Confident	164 Å²	164	86.1 Å²	86.1	88%	0.877	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	52.7	-179.5	-66.9	-21.9	0	0	0	112.5	P352	P352-N354 VanDerWaalsContact C-N 3.26Å; P352-N354 PolarHBondContact O-N 3.15Å
355	A	78.5	Confident	84.1	Confident	11 Å²	11	89.8 Å²	89.8	9%	0.091	48%	0.478	C	S	.	.			trans	-76.3	128.4	-178.6	0	0	0	0	0	113.3	F351 P352 L359 R360	F351-A355 HydrophobicContact CE1-CB 3.64Å; F351-A355 HydrophobicContact CE2-CB 4.4Å; F351-A355 HydrophobicContact CZ-CB 3.44Å; F351-A355 VanDerWaalsContact CZ-CB 3.44Å; P352-A355 HydrophobicContact CG-CB 4.26Å; P352-A355 PolarHBondContact O-N 2.82Å; A355-L359 HydrophobicContact CB-CD2 4.06Å; A355-R360 HydrophobicContact CB-CG 4.02Å; A355-R360 PolarHBondContact O-NE 2.86Å
356	S	82.8	Confident	84.2	Confident	57 Å²	57	85.2 Å²	85.2	40%	0.399	45%	0.454	S	S	.	.			trans	-64.8	157.1	172.2	73.9	0	0	0	0	111.9	K358 L359 R360	S356-K358 PolarHBondContact O-N 2.93Å; S356-L359 PolarHBondContact O-N 2.96Å; S356-L359 VanDerWaalsContact O-N 3.13Å; S356-L359 WeakPolarHBondContact OG-CB 3.34Å; S356-L359 PolarHBondContact OG-N 2.75Å; S356-R360 WeakPolarHBondContact O-CG 3.5Å; S356-R360 PolarHBondContact O-N 3.34Å
357	K	83.6	Confident	84.4	Confident	190 Å²	190	86 Å²	86	83%	0.826	45%	0.451	S	S	*	.	H	α-helix	trans	-55.9	-35.7	176.9	-66.2	-175	-178.9	-178.8	0	112.4	L361	K357-L361 PolarHBondContact O-N 3.12Å; K357-L361 VanDerWaalsContact O-N 3.13Å
358	K	83.6	Confident	84.6	Confident	151 Å²	151	87.1 Å²	87.1	66%	0.657	45%	0.454	S	S	*	.	H	α-helix	trans	-67.8	-43.7	177.6	-61.8	-178.3	-178.8	-179	0	111.9	S356 L361 I362	S356-K358 PolarHBondContact O-N 2.93Å; K358-L361 PolarHBondContact O-N 2.95Å; K358-I362 WeakPolarHBondContact O-CG1 3.38Å; K358-I362 PolarHBondContact O-N 3.24Å
359	L	84.7	Confident	84.8	Confident	11 Å²	11	82.9 Å²	82.9	6%	0.058	43%	0.426	C	S	.	.	H	α-helix	trans	-65.2	-40.1	177.3	-176.5	61.5	0	0	0	111.7	L318 S321 P352 A355 S356 L361 I362 I363	L318-L359 HydrophobicContact CD2-CD1 3.97Å; S321-L359 PolarHBondContact OG-N 3.46Å; P352-L359 HydrophobicContact CG-CD2 3.68Å; A355-L359 HydrophobicContact CB-CD2 4.06Å; S356-L359 PolarHBondContact O-N 2.96Å; S356-L359 VanDerWaalsContact O-N 3.13Å; S356-L359 WeakPolarHBondContact OG-CB 3.34Å; S356-L359 PolarHBondContact OG-N 2.75Å; L359-L361 PolarHBondContact O-N 2.87Å; L359-I362 PolarHBondContact O-N 3.25Å; L359-I363 HydrophobicContact CD1-CD1 4.1Å; L359-I363 HydrophobicContact CG-CD1 3.98Å; L359-I363 WeakPolarHBondContact O-CG1 3.39Å; L359-I363 PolarHBondContact O-N 3.2Å
360	R	85.9	Confident	85	Confident	138 Å²	138	81 Å²	81	52%	0.521	42%	0.418	S	S	.	.	H	α-helix	trans	-58.2	-46.9	173.6	-70	178.5	-172.7	-157.8	-2.5	111.4	F351 A355 S356 I363 T364	F351-R360 HydrophobicContact CZ-CG 4.12Å; A355-R360 HydrophobicContact CB-CG 4.02Å; A355-R360 PolarHBondContact O-NE 2.86Å; S356-R360 WeakPolarHBondContact O-CG 3.5Å; S356-R360 PolarHBondContact O-N 3.34Å; R360-I363 PolarHBondContact O-N 3.39Å; R360-T364 PolarHBondContact O-N 2.63Å; R360-T364 PolarHBondContact O-OG1 3.11Å
361	L	87.9	Confident	85.5	Confident	108 Å²	108	80.5 Å²	80.5	57%	0.565	41%	0.41	S	S	*	.	H	α-helix	trans	-60.9	-45.7	177.6	-178.5	67	0	0	0	112.4	K357 K358 L359 I363 T364 I365	K357-L361 PolarHBondContact O-N 3.12Å; K357-L361 VanDerWaalsContact O-N 3.13Å; K358-L361 PolarHBondContact O-N 2.95Å; L359-L361 PolarHBondContact O-N 2.87Å; L361-I363 VanDerWaalsContact C-N 3.29Å; L361-I363 PolarHBondContact O-N 3.24Å; L361-T364 WeakPolarHBondContact O-CB 3.46Å; L361-T364 PolarHBondContact O-N 3.45Å; L361-I365 HydrophobicContact CG-CD1 4.11Å; L361-I365 WeakPolarHBondContact O-CG1 3.05Å; L361-I365 PolarHBondContact O-N 3.42Å
362	I	87.9	Confident	86	Confident	22 Å²	22	80.8 Å²	80.8	11%	0.113	41%	0.413	C	S	.	.	H	α-helix	trans	-60.7	-41	178.3	-66.9	162.7	0	0	0	110.9	L317 L318 K358 L359 I365 L366	L317-I362 HydrophobicContact CB-CD1 4.17Å; L317-I362 HydrophobicContact CB-CG2 4.35Å; L318-I362 HydrophobicContact CD2-CG2 3.66Å; L318-I362 HydrophobicContact CG-CG2 3.87Å; K358-I362 WeakPolarHBondContact O-CG1 3.38Å; K358-I362 PolarHBondContact O-N 3.24Å; L359-I362 PolarHBondContact O-N 3.25Å; I362-I365 PolarHBondContact O-N 3.28Å; I362-L366 WeakPolarHBondContact O-CB 3.44Å; I362-L366 PolarHBondContact O-N 3.01Å
363	I	86.8	Confident	86.4	Confident	27 Å²	27	80.5 Å²	80.5	14%	0.138	41%	0.41	C	S	.	.	H	α-helix	trans	-69	-35.3	177.6	-68.5	168.4	0	0	0	111.3	L318 F349 F351 L359 R360 L361 L366 C367	L318-I363 HydrophobicContact CD2-CG1 4.16Å; F349-I363 HydrophobicContact CZ-CG2 4.34Å; F351-I363 HydrophobicContact CD2-CD1 3.7Å; F351-I363 HydrophobicContact CD2-CG2 4.48Å; F351-I363 HydrophobicContact CE2-CD1 3.39Å; F351-I363 HydrophobicContact CE2-CG2 4.3Å; F351-I363 HydrophobicContact CZ-CD1 4.49Å; L359-I363 HydrophobicContact CD1-CD1 4.1Å; L359-I363 HydrophobicContact CG-CD1 3.98Å; L359-I363 WeakPolarHBondContact O-CG1 3.39Å; L359-I363 PolarHBondContact O-N 3.2Å; R360-I363 PolarHBondContact O-N 3.39Å; L361-I363 VanDerWaalsContact C-N 3.29Å; L361-I363 PolarHBondContact O-N 3.24Å; I363-L366 PolarHBondContact O-N 3.23Å; I363-C367 WeakPolarHBondContact O-CB 3.47Å; I363-C367 PolarHBondContact O-N 2.95Å
364	T	88.4	Confident	87.2	Confident	92 Å²	92	75.4 Å²	75.4	56%	0.564	39%	0.385	S	S	*	.	H	α-helix	trans	-62.7	-43	171.1	-56.5	0	0	0	0	111.7	R360 L361 C367 F368	R360-T364 PolarHBondContact O-N 2.63Å; R360-T364 PolarHBondContact O-OG1 3.11Å; L361-T364 WeakPolarHBondContact O-CB 3.46Å; L361-T364 PolarHBondContact O-N 3.45Å; T364-C367 PolarHBondContact O-N 2.9Å; T364-F368 PolarHBondContact O-N 3Å
365	I	90.3	Very high	87.9	Confident	87 Å²	87	71 Å²	71	45%	0.446	37%	0.365	S	S	.	.	H	α-helix	trans	-63	-44.1	175.4	-67.1	165.1	0	0	0	110.5	L314 L361 I362 C367 F368 A369	L314-I365 HydrophobicContact CD2-CG2 4.26Å; L361-I365 HydrophobicContact CG-CD1 4.11Å; L361-I365 WeakPolarHBondContact O-CG1 3.05Å; L361-I365 PolarHBondContact O-N 3.42Å; I362-I365 PolarHBondContact O-N 3.28Å; I365-C367 VanDerWaalsContact C-N 3.33Å; I365-C367 PolarHBondContact O-N 2.86Å; I365-F368 PolarHBondContact O-N 2.93Å; I365-A369 WeakPolarHBondContact O-CB 3.34Å; I365-A369 PolarHBondContact O-N 2.85Å
366	L	90.3	Very high	88.4	Confident	2 Å²	2	74 Å²	74	1%	0.01	38%	0.377	C	S	.	.	H	α-helix	trans	-59.3	-43.4	176	-179.2	67.3	0	0	0	111.6	L314 L318 L344 F349 I362 I363 A369 S370	L314-L366 HydrophobicContact CD1-CD1 3.75Å; L318-L366 HydrophobicContact CD1-CD2 4.24Å; L344-L366 HydrophobicContact CB-CD1 4.42Å; F349-L366 HydrophobicContact CE1-CD2 3.99Å; F349-L366 HydrophobicContact CZ-CD2 3.94Å; I362-L366 WeakPolarHBondContact O-CB 3.44Å; I362-L366 PolarHBondContact O-N 3.01Å; I363-L366 PolarHBondContact O-N 3.23Å; L366-A369 PolarHBondContact O-N 3.05Å; L366-S370 WeakPolarHBondContact O-CB 3.44Å; L366-S370 PolarHBondContact O-N 3.3Å
367	C	89.1	Confident	88.7	Confident	69 Å²	69	74.5 Å²	74.5	47%	0.466	37%	0.371	S	S	.	.	H	α-helix	trans	-62.7	-46.3	176.1	-175.8	0	0	0	0	111.6	I363 T364 I365 A369 S370 I371	I363-C367 WeakPolarHBondContact O-CB 3.47Å; I363-C367 PolarHBondContact O-N 2.95Å; T364-C367 PolarHBondContact O-N 2.9Å; I365-C367 VanDerWaalsContact C-N 3.33Å; I365-C367 PolarHBondContact O-N 2.86Å; C367-A369 PolarHBondContact O-N 3.06Å; C367-S370 WeakPolarHBondContact O-CB 3.26Å; C367-S370 PolarHBondContact O-N 3.45Å; C367-I371 WeakPolarHBondContact O-CG1 3.42Å; C367-I371 PolarHBondContact O-N 3.3Å
368	F	91.1	Very high	89	Confident	133 Å²	133	70.7 Å²	70.7	58%	0.583	36%	0.356	S	S	*	.	H	α-helix	trans	-63.1	-43.6	177.3	-173.1	-103.1	0	0	0	112	T364 I365 S370 I371 M372	T364-F368 PolarHBondContact O-N 3Å; I365-F368 PolarHBondContact O-N 2.93Å; F368-S370 VanDerWaalsContact C-N 3.3Å; F368-S370 PolarHBondContact O-N 2.94Å; F368-I371 PolarHBondContact O-N 3.15Å; F368-M372 HydrophobicContact CD1-CG 4.28Å; F368-M372 HydrophobicContact CD1-SD 3.78Å; F368-M372 HydrophobicContact CE1-CG 3.97Å; F368-M372 HydrophobicContact CE1-SD 3.19Å; F368-M372 WeakPolarHBondContact CE1-SD 3.42Å; F368-M372 HydrophobicContact CZ-CG 4.16Å; F368-M372 HydrophobicContact CZ-SD 3.76Å; F368-M372 WeakPolarHBondContact O-CG 3.31Å; F368-M372 PolarHBondContact O-N 3.28Å
369	A	90.4	Very high	89.4	Confident	23 Å²	23	66.6 Å²	66.6	19%	0.19	35%	0.351	C	S	.	.	H	α-helix	trans	-60.7	-40.1	175.4	0	0	0	0	0	111.8	L344 I365 L366 C367 L373	L344-A369 HydrophobicContact CD1-CB 4.39Å; I365-A369 WeakPolarHBondContact O-CB 3.34Å; I365-A369 PolarHBondContact O-N 2.85Å; L366-A369 PolarHBondContact O-N 3.05Å; C367-A369 PolarHBondContact O-N 3.06Å; A369-L373 VanDerWaalsContact O-CB 3.31Å; A369-L373 WeakPolarHBondContact O-CB 3.48Å; A369-L373 PolarHBondContact O-N 3.33Å
370	S	91.3	Very high	89.7	Confident	7 Å²	7	71.8 Å²	71.8	5%	0.049	37%	0.37	C	S	.	.	H	α-helix	trans	-63.7	-50.4	175.4	-174.6	0	0	0	0	112	G343 L344 G346 L366 C367 F368 M372 L373 T374	G343-S370 WeakPolarHBondContact O-CB 3.31Å; G343-S370 PolarHBondContact O-OG 3.04Å; L344-S370 WeakPolarHBondContact O-CB 3.47Å; L344-S370 PolarHBondContact O-OG 2.96Å; G346-S370 WeakPolarHBondContact CA-OG 3.19Å; G346-S370 PolarHBondContact N-OG 3.1Å; L366-S370 WeakPolarHBondContact O-CB 3.44Å; L366-S370 PolarHBondContact O-N 3.3Å; C367-S370 WeakPolarHBondContact O-CB 3.26Å; C367-S370 PolarHBondContact O-N 3.45Å; F368-S370 VanDerWaalsContact C-N 3.3Å; F368-S370 PolarHBondContact O-N 2.94Å; S370-M372 VanDerWaalsContact C-N 3.3Å; S370-M372 PolarHBondContact O-N 3.28Å; S370-L373 PolarHBondContact O-N 2.9Å; S370-L373 VanDerWaalsContact O-N 3.12Å; S370-T374 WeakPolarHBondContact O-CG2 3.38Å; S370-T374 PolarHBondContact O-N 2.77Å; S370-T374 PolarHBondContact O-OG1 2.88Å; S370-T374 VanDerWaalsContact O-OG1 3.1Å
371	I	92.6	Very high	89.8	Confident	91 Å²	91	66.5 Å²	66.5	47%	0.467	35%	0.352	S	S	.	.	H	α-helix	trans	-56.2	-47.6	177.7	-68.5	166.9	0	0	0	110.1	C367 F368 L373 T374 T375	C367-I371 WeakPolarHBondContact O-CG1 3.42Å; C367-I371 PolarHBondContact O-N 3.3Å; F368-I371 PolarHBondContact O-N 3.15Å; I371-L373 PolarHBondContact O-N 3.48Å; I371-T374 PolarHBondContact O-OG1 2.99Å; I371-T375 HydrophobicContact CG2-CG2 4.17Å; I371-T375 VanDerWaalsContact O-CB 3.25Å; I371-T375 WeakPolarHBondContact O-CB 3.2Å; I371-T375 WeakPolarHBondContact O-CG2 3.48Å; I371-T375 PolarHBondContact O-N 3.25Å; I371-T375 PolarHBondContact O-OG1 3.41Å
372	M	90.9	Very high	89.8	Confident	105 Å²	105	66.5 Å²	66.5	52%	0.517	35%	0.349	S	S	.	.	H	α-helix	trans	-59.7	-46.3	177.2	-73.9	-172.1	72.2	0	0	112.1	F368 S370 T375 M376	F368-M372 HydrophobicContact CD1-CG 4.28Å; F368-M372 HydrophobicContact CD1-SD 3.78Å; F368-M372 HydrophobicContact CE1-CG 3.97Å; F368-M372 HydrophobicContact CE1-SD 3.19Å; F368-M372 WeakPolarHBondContact CE1-SD 3.42Å; F368-M372 HydrophobicContact CZ-CG 4.16Å; F368-M372 HydrophobicContact CZ-SD 3.76Å; F368-M372 WeakPolarHBondContact O-CG 3.31Å; F368-M372 PolarHBondContact O-N 3.28Å; S370-M372 VanDerWaalsContact C-N 3.3Å; S370-M372 PolarHBondContact O-N 3.28Å; M372-T375 PolarHBondContact O-OG1 3.39Å; M372-M376 WeakPolarHBondContact O-CB 3.11Å; M372-M376 PolarHBondContact O-N 3.42Å
373	L	88.9	Confident	89.9	Confident	37 Å²	37	68.7 Å²	68.7	19%	0.194	37%	0.366	C	S	.	.	H	α-helix	trans	-65.1	-47.5	-177.7	-179.6	63.5	0	0	0	112	I307 L344 A369 S370 I371 M376 Y377	I307-L373 HydrophobicContact CD1-CD1 3.48Å; I307-L373 VanDerWaalsContact CD1-CD1 3.48Å; I307-L373 HydrophobicContact CG1-CD1 3.83Å; I307-L373 HydrophobicContact CG2-CD2 4.37Å; L344-L373 HydrophobicContact CD1-CD2 4.15Å; L344-L373 HydrophobicContact CG-CD2 3.94Å; A369-L373 VanDerWaalsContact O-CB 3.31Å; A369-L373 WeakPolarHBondContact O-CB 3.48Å; A369-L373 PolarHBondContact O-N 3.33Å; S370-L373 PolarHBondContact O-N 2.9Å; S370-L373 VanDerWaalsContact O-N 3.12Å; I371-L373 PolarHBondContact O-N 3.48Å; L373-M376 HydrophobicContact CD1-CE 4.25Å; L373-Y377 WeakPolarHBondContact O-CB 3.45Å; L373-Y377 PolarHBondContact O-N 3.31Å
374	T	89	Confident	89.9	Confident	58 Å²	58	69.3 Å²	69.3	36%	0.356	37%	0.368	S	S	.	.	H	α-helix	trans	-68.6	-43.1	-178.4	58.5	0	0	0	0	111.1	S370 I371 Y377 E378	S370-T374 WeakPolarHBondContact O-CG2 3.38Å; S370-T374 PolarHBondContact O-N 2.77Å; S370-T374 PolarHBondContact O-OG1 2.88Å; S370-T374 VanDerWaalsContact O-OG1 3.1Å; I371-T374 PolarHBondContact O-OG1 2.99Å; T374-Y377 PolarHBondContact O-N 3.36Å; T374-E378 VanDerWaalsContact O-CB 3.29Å; T374-E378 WeakPolarHBondContact O-CB 3.38Å; T374-E378 PolarHBondContact O-N 2.94Å
375	T	91	Very high	89.7	Confident	73 Å²	73	67 Å²	67	45%	0.448	35%	0.35	S	S	.	.	H	α-helix	trans	-66.6	-38.2	178.2	55.6	0	0	0	0	112.2	I371 M372 A379	I371-T375 HydrophobicContact CG2-CG2 4.17Å; I371-T375 VanDerWaalsContact O-CB 3.25Å; I371-T375 WeakPolarHBondContact O-CB 3.2Å; I371-T375 WeakPolarHBondContact O-CG2 3.48Å; I371-T375 PolarHBondContact O-N 3.25Å; I371-T375 PolarHBondContact O-OG1 3.41Å; M372-T375 PolarHBondContact O-OG1 3.39Å; T375-A379 VanDerWaalsContact O-CB 3.23Å; T375-A379 WeakPolarHBondContact O-CB 3.48Å; T375-A379 PolarHBondContact O-N 3.33Å
376	M	89.8	Confident	89.4	Confident	72 Å²	72	68.6 Å²	68.6	36%	0.355	36%	0.364	S	S	.	.	H	α-helix	trans	-60.6	-52.6	173.8	-178.3	-165.2	80.2	0	0	110.7	V303 M372 L373 E378 A379 Y380	V303-M376 HydrophobicContact CG1-CE 4.11Å; M372-M376 WeakPolarHBondContact O-CB 3.11Å; M372-M376 PolarHBondContact O-N 3.42Å; L373-M376 HydrophobicContact CD1-CE 4.25Å; M376-E378 PolarHBondContact O-N 3.49Å; M376-A379 PolarHBondContact O-N 3.27Å; M376-Y380 HydrophobicContact CG-CD2 3.79Å; M376-Y380 HydrophobicContact CG-CE2 3.6Å; M376-Y380 WeakPolarHBondContact O-CD2 3.32Å; M376-Y380 PolarHBondContact O-N 2.99Å; M376-Y380 HydrophobicContact SD-CE2 4.35Å
377	Y	89.1	Confident	89	Confident	69 Å²	69	73.2 Å²	73.2	27%	0.271	39%	0.389	S	S	.	.	H	α-helix	trans	-61.1	-44.6	-179.4	-177.2	-93	0	0	0	111.7	I298 I299 L373 T374 Y380 L381	I298-Y377 HydrophobicContact CB-CD2 4.27Å; I298-Y377 HydrophobicContact CB-CE2 3.99Å; I298-Y377 HydrophobicContact CD1-CE2 4.32Å; I298-Y377 HydrophobicContact CG2-CD2 3.49Å; I298-Y377 VanDerWaalsContact CG2-CD2 3.49Å; I298-Y377 HydrophobicContact CG2-CE2 3.72Å; I298-Y377 HydrophobicContact CG2-CG 4.39Å; I299-Y377 HydrophobicContact CD1-CD2 4.46Å; I299-Y377 HydrophobicContact CD1-CE2 3.98Å; I299-Y377 HydrophobicContact CG1-CD2 4.16Å; I299-Y377 HydrophobicContact CG1-CE2 3.85Å; L373-Y377 WeakPolarHBondContact O-CB 3.45Å; L373-Y377 PolarHBondContact O-N 3.31Å; T374-Y377 PolarHBondContact O-N 3.36Å; Y377-Y380 PolarHBondContact O-N 3.25Å; Y377-L381 HydrophobicContact CE1-CD2 4.11Å; Y377-L381 VanDerWaalsContact O-CB 3.27Å; Y377-L381 WeakPolarHBondContact O-CB 3.29Å; Y377-L381 PolarHBondContact O-N 2.87Å
378	E	90	Very high	88.8	Confident	110 Å²	110	70.3 Å²	70.3	51%	0.514	37%	0.369	S	S	.	.	H	α-helix	trans	-63.1	-43	177.7	-173.5	172	-169.8	0	0	111.9	T374 M376 Y380 L381 Q382	T374-E378 VanDerWaalsContact O-CB 3.29Å; T374-E378 WeakPolarHBondContact O-CB 3.38Å; T374-E378 PolarHBondContact O-N 2.94Å; M376-E378 PolarHBondContact O-N 3.49Å; E378-Y380 PolarHBondContact O-N 2.95Å; E378-L381 PolarHBondContact O-N 3.33Å; E378-Q382 HydrophobicContact CG-CG 4.36Å; E378-Q382 WeakPolarHBondContact O-CB 3.49Å; E378-Q382 VanDerWaalsContact O-CG 3.24Å; E378-Q382 WeakPolarHBondContact O-CG 3.4Å; E378-Q382 PolarHBondContact O-N 3.48Å
379	A	91.6	Very high	88.6	Confident	65 Å²	65	65.3 Å²	65.3	54%	0.537	35%	0.35	S	S	.	.	H	α-helix	trans	-62	-44.2	177.4	0	0	0	0	0	112.3	T375 M376 S383	T375-A379 VanDerWaalsContact O-CB 3.23Å; T375-A379 WeakPolarHBondContact O-CB 3.48Å; T375-A379 PolarHBondContact O-N 3.33Å; M376-A379 PolarHBondContact O-N 3.27Å; A379-S383 WeakPolarHBondContact O-CB 3.07Å; A379-S383 PolarHBondContact O-N 3.4Å
380	Y	90.4	Very high	88.3	Confident	119 Å²	119	67.4 Å²	67.4	47%	0.467	36%	0.363	S	S	.	.	H	α-helix	trans	-65	-42.6	175	-80.1	-67.1	0	0	0	112.1	I298 M376 Y377 E378 S383 F384	I298-Y380 HydrophobicContact CG2-CG 4.41Å; M376-Y380 HydrophobicContact CG-CD2 3.79Å; M376-Y380 HydrophobicContact CG-CE2 3.6Å; M376-Y380 WeakPolarHBondContact O-CD2 3.32Å; M376-Y380 PolarHBondContact O-N 2.99Å; M376-Y380 HydrophobicContact SD-CE2 4.35Å; Y377-Y380 PolarHBondContact O-N 3.25Å; E378-Y380 PolarHBondContact O-N 2.95Å; Y380-S383 WeakPolarHBondContact O-CB 3.26Å; Y380-S383 PolarHBondContact O-N 3.36Å; Y380-F384 HydrophobicContact CD1-CZ 4.38Å; Y380-F384 WeakPolarHBondContact O-CB 3.06Å; Y380-F384 WeakPolarHBondContact O-CG 3.39Å; Y380-F384 PolarHBondContact O-N 2.74Å
381	L	88.8	Confident	87.9	Confident	27 Å²	27	69.9 Å²	69.9	14%	0.141	37%	0.374	C	S	.	.	H	α-helix	trans	-62	-46.2	179.3	-172.5	67.9	0	0	0	111.7	V294 Y295 I298 Y377 E378 S383 F384 F385	V294-L381 HydrophobicContact CG1-CD1 4.4Å; Y295-L381 HydrophobicContact CD1-CD1 3.9Å; Y295-L381 HydrophobicContact CE1-CD1 3.87Å; Y295-L381 HydrophobicContact CE1-CD2 4.41Å; I298-L381 HydrophobicContact CD1-CB 3.9Å; I298-L381 HydrophobicContact CD1-CD1 3.63Å; I298-L381 HydrophobicContact CD1-CG 4.4Å; Y377-L381 HydrophobicContact CE1-CD2 4.11Å; Y377-L381 VanDerWaalsContact O-CB 3.27Å; Y377-L381 WeakPolarHBondContact O-CB 3.29Å; Y377-L381 PolarHBondContact O-N 2.87Å; E378-L381 PolarHBondContact O-N 3.33Å; L381-S383 VanDerWaalsContact C-N 3.33Å; L381-S383 PolarHBondContact O-N 3.21Å; L381-F384 PolarHBondContact O-N 3.09Å; L381-F385 HydrophobicContact CD1-CD2 4.34Å; L381-F385 HydrophobicContact CD1-CE1 4.07Å; L381-F385 HydrophobicContact CD1-CE2 3.68Å; L381-F385 HydrophobicContact CD1-CZ 3.5Å; L381-F385 HydrophobicContact CD2-CE2 3.9Å; L381-F385 HydrophobicContact CD2-CZ 4.37Å; L381-F385 HydrophobicContact CG-CD2 3.99Å; L381-F385 HydrophobicContact CG-CE2 3.51Å; L381-F385 HydrophobicContact CG-CZ 3.91Å; L381-F385 WeakPolarHBondContact O-CD2 3.32Å; L381-F385 WeakPolarHBondContact O-CG 3.42Å; L381-F385 PolarHBondContact O-N 3.34Å
382	Q	88.4	Confident	87.5	Confident	109 Å²	109	69.6 Å²	69.6	51%	0.509	38%	0.378	S	S	.	.	H	α-helix	trans	-61.6	-42.1	176.1	-69.4	-65.8	-16.7	0	0	111.6	E378 F385 T386	E378-Q382 HydrophobicContact CG-CG 4.36Å; E378-Q382 WeakPolarHBondContact O-CB 3.49Å; E378-Q382 VanDerWaalsContact O-CG 3.24Å; E378-Q382 WeakPolarHBondContact O-CG 3.4Å; E378-Q382 PolarHBondContact O-N 3.48Å; Q382-F385 PolarHBondContact O-N 3.36Å; Q382-T386 PolarHBondContact O-N 2.75Å; Q382-T386 VanDerWaalsContact O-N 3.08Å; Q382-T386 PolarHBondContact O-OG1 3.17Å
383	S	89.7	Confident	87.1	Confident	67 Å²	67	70.4 Å²	70.4	47%	0.469	38%	0.381	S	S	.	.	H	α-helix	trans	-61.6	-48.7	176.2	-173.1	0	0	0	0	111.7	A379 Y380 L381 F385 T386 N387	A379-S383 WeakPolarHBondContact O-CB 3.07Å; A379-S383 PolarHBondContact O-N 3.4Å; Y380-S383 WeakPolarHBondContact O-CB 3.26Å; Y380-S383 PolarHBondContact O-N 3.36Å; L381-S383 VanDerWaalsContact C-N 3.33Å; L381-S383 PolarHBondContact O-N 3.21Å; S383-F385 PolarHBondContact O-N 3.32Å; S383-T386 WeakPolarHBondContact O-CB 3.47Å; S383-T386 PolarHBondContact O-N 2.86Å; S383-T386 VanDerWaalsContact O-N 3.13Å; S383-N387 PolarHBondContact O-N 3.31Å
384	F	87.4	Confident	87	Confident	40 Å²	40	69.2 Å²	69.2	18%	0.175	37%	0.374	C	S	.	.	H	α-helix	trans	-71.8	-25.9	-178.8	-68.5	-8.4	0	0	0	113.5	V294 I298 Y380 L381 N387 P388 P389	V294-F384 HydrophobicContact CG1-CB 3.46Å; V294-F384 VanDerWaalsContact CG1-CB 3.46Å; V294-F384 HydrophobicContact CG1-CD2 3.83Å; V294-F384 HydrophobicContact CG1-CG 4.15Å; I298-F384 HydrophobicContact CD1-CD2 4.03Å; I298-F384 HydrophobicContact CG1-CD2 3.52Å; I298-F384 HydrophobicContact CG1-CE2 3.65Å; Y380-F384 HydrophobicContact CD1-CZ 4.38Å; Y380-F384 WeakPolarHBondContact O-CB 3.06Å; Y380-F384 WeakPolarHBondContact O-CG 3.39Å; Y380-F384 PolarHBondContact O-N 2.74Å; L381-F384 PolarHBondContact O-N 3.09Å; F384-N387 CarbonylContact O-C 3.41Å; F384-P388 WeakPolarHBondContact O-CA 3.45Å; F384-P388 WeakPolarHBondContact O-CB 3.45Å; F384-P388 WeakPolarHBondContact O-CD 3.41Å; F384-P388 VanDerWaalsContact O-N 3.1Å; F384-P389 HydrophobicContact CD1-CG 4.33Å; F384-P389 HydrophobicContact CD2-CG 4.45Å; F384-P389 HydrophobicContact CE1-CG 4.26Å; F384-P389 HydrophobicContact CE2-CG 4.37Å; F384-P389 HydrophobicContact CG-CG 4.42Å; F384-P389 HydrophobicContact CZ-CG 4.28Å
385	F	84.4	Confident	86.8	Confident	44 Å²	44	71.2 Å²	71.2	19%	0.193	39%	0.39	C	S	.	.	H	α-helix	trans	-71.3	-33.4	168.4	-72.8	-27.1	0	0	0	113	Y291 Y295 L381 Q382 S383 L550	Y291-F385 AromaticContact CD1-CD1 3.64Å; Y291-F385 HydrophobicContact CD1-CD1 3.64Å; Y291-F385 HydrophobicContact CD1-CE1 4.06Å; Y291-F385 AromaticContact CE1-CD1 3.94Å; Y291-F385 HydrophobicContact CE1-CD1 3.94Å; Y291-F385 PolarHBondContact OH-O 3.36Å; Y295-F385 AromaticContact CE1-CZ 3.91Å; Y295-F385 HydrophobicContact CE1-CZ 3.91Å; Y295-F385 HydrophobicContact CE2-CZ 4.37Å; Y295-F385 AromaticContact CZ-CZ 3.65Å; Y295-F385 WeakPolarHBondContact OH-CZ 3.42Å; L381-F385 HydrophobicContact CD1-CD2 4.34Å; L381-F385 HydrophobicContact CD1-CE1 4.07Å; L381-F385 HydrophobicContact CD1-CE2 3.68Å; L381-F385 HydrophobicContact CD1-CZ 3.5Å; L381-F385 HydrophobicContact CD2-CE2 3.9Å; L381-F385 HydrophobicContact CD2-CZ 4.37Å; L381-F385 HydrophobicContact CG-CD2 3.99Å; L381-F385 HydrophobicContact CG-CE2 3.51Å; L381-F385 HydrophobicContact CG-CZ 3.91Å; L381-F385 WeakPolarHBondContact O-CD2 3.32Å; L381-F385 WeakPolarHBondContact O-CG 3.42Å; L381-F385 PolarHBondContact O-N 3.34Å; Q382-F385 PolarHBondContact O-N 3.36Å; S383-F385 PolarHBondContact O-N 3.32Å; F385-L550 HydrophobicContact CE1-CD2 4.05Å; F385-L550 HydrophobicContact CE2-CD1 4.43Å; F385-L550 HydrophobicContact CZ-CD2 3.88Å
386	T	83.6	Confident	86.7	Confident	120 Å²	120	69.3 Å²	69.3	74%	0.736	38%	0.38	S	S	*	.	H	α-helix	trans	-72.6	-47.3	177.3	-55.3	0	0	0	0	111.4	Q382 S383	Q382-T386 PolarHBondContact O-N 2.75Å; Q382-T386 VanDerWaalsContact O-N 3.08Å; Q382-T386 PolarHBondContact O-OG1 3.17Å; S383-T386 WeakPolarHBondContact O-CB 3.47Å; S383-T386 PolarHBondContact O-N 2.86Å; S383-T386 VanDerWaalsContact O-N 3.13Å
387	N	81.8	Confident	86.6	Confident	99 Å²	99	66.3 Å²	66.3	53%	0.529	36%	0.364	S	S	.	.	S	Bend	trans	-143.8	97.5	175.2	-170	28.9	0	0	0	109.9	K288 S383 F384	K288-N387 WeakPolarHBondContact CE-OD1 3.38Å; S383-N387 PolarHBondContact O-N 3.31Å; F384-N387 CarbonylContact O-C 3.41Å
388	P	84.5	Confident	86.4	Confident	8 Å²	8	69 Å²	69	5%	0.052	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-64.1	143.9	-178.3	12.7	-18.1	0	0	0	111.3	K288 Y291 F384	K288-P388 HydrophobicContact CB-CB 4.44Å; K288-P388 HydrophobicContact CB-CG 4.03Å; K288-P388 HydrophobicContact CD-CG 4.08Å; K288-P388 HydrophobicContact CG-CG 4.47Å; Y291-P388 HydrophobicContact CE1-CB 4.47Å; Y291-P388 HydrophobicContact CE1-CG 3.97Å; F384-P388 WeakPolarHBondContact O-CA 3.45Å; F384-P388 WeakPolarHBondContact O-CB 3.45Å; F384-P388 WeakPolarHBondContact O-CD 3.41Å; F384-P388 VanDerWaalsContact O-N 3.1Å
389	P	85.8	Confident	86.1	Confident	29 Å²	29	67.1 Å²	67.1	19%	0.188	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-57.5	143.5	174.2	19.3	-26.5	0	0	0	110.4	L289 M297 F384	L289-P389 WeakPolarHBondContact CB-O 3.2Å; L289-P389 HydrophobicContact CD1-CB 4.3Å; L289-P389 HydrophobicContact CD1-CG 3.98Å; L289-P389 WeakPolarHBondContact CG-O 3.43Å; L289-P389 PolarHBondContact N-O 3.3Å; M297-P389 HydrophobicContact CE-CB 4.29Å; M297-P389 HydrophobicContact CE-CG 4.12Å; M297-P389 HydrophobicContact SD-CB 4.46Å; M297-P389 HydrophobicContact SD-CG 3.69Å; F384-P389 HydrophobicContact CD1-CG 4.33Å; F384-P389 HydrophobicContact CD2-CG 4.45Å; F384-P389 HydrophobicContact CE1-CG 4.26Å; F384-P389 HydrophobicContact CE2-CG 4.37Å; F384-P389 HydrophobicContact CG-CG 4.42Å; F384-P389 HydrophobicContact CZ-CG 4.28Å
390	S	85.6	Confident	85.6	Confident	66 Å²	66	64.1 Å²	64.1	46%	0.462	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-87.1	158.6	178.5	-54.5	0	0	0	0	111.1
391	E	83.3	Confident	84.8	Confident	59 Å²	59	58.7 Å²	58.7	28%	0.276	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-54.4	156.1	166	-75.1	174.4	174.6	0	0	111.2	P286 A287 L289 E393 R405	P286-E391 HydrophobicContact CB-CB 3.85Å; P286-E391 VanDerWaalsContact CB-O 3.22Å; P286-E391 WeakPolarHBondContact CB-O 3.33Å; A287-E391 WeakPolarHBondContact O-CG 3.44Å; A287-E391 PolarHBondContact O-N 2.84Å; L289-E391 HydrophobicContact CD2-CG 4.48Å; E391-E393 PolarHBondContact O-N 3.34Å; E391-R405 IonicContact OE2-NH2 3.94Å; E391-R405 PolarHBondContact OE2-NH2 3.23Å; E391-R405 VanDerWaalsContact OE2-NH2 3.08Å
392	P	82.5	Confident	84	Confident	85 Å²	85	60.9 Å²	60.9	55%	0.552	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-61.9	134.9	179.2	-10.5	23.4	0	0	0	110.6	Y403	P392-Y403 WeakPolarHBondContact CB-OH 3.38Å; P392-Y403 VanDerWaalsContact CG-OH 3.27Å; P392-Y403 WeakPolarHBondContact CG-OH 3.43Å
393	E	84.3	Confident	83.1	Confident	122 Å²	122	59.6 Å²	59.6	57%	0.57	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-67.2	156.8	173.6	-72.2	178.4	-171.6	0	0	111.7	P286 E391 C395	P286-E393 HydrophobicContact CG-CB 4.39Å; P286-E393 HydrophobicContact CG-CG 3.57Å; E391-E393 PolarHBondContact O-N 3.34Å; E393-C395 PolarHBondContact O-N 2.65Å
394	I	85.4	Confident	82	Confident	12 Å²	12	64 Å²	64	6%	0.062	36%	0.355	C	S	.	.			trans	-78.1	111.5	172.3	-54.1	-178.7	0	0	0	107.7	V283 S396 D399 V400 Y403 L483	V283-I394 HydrophobicContact CG1-CB 4.49Å; V283-I394 HydrophobicContact CG1-CD1 3.74Å; V283-I394 HydrophobicContact CG1-CG1 4.22Å; I394-S396 WeakPolarHBondContact CG2-O 3.5Å; I394-D399 HydrophobicContact CG2-CB 4.38Å; I394-V400 HydrophobicContact CG2-CG2 3.97Å; I394-Y403 HydrophobicContact CG1-CD2 4.39Å; I394-L483 HydrophobicContact CB-CD1 4.23Å; I394-L483 HydrophobicContact CG2-CD1 3.79Å; I394-L483 WeakPolarHBondContact O-CD1 3.45Å
395	C	84.8	Confident	81.6	Confident	101 Å²	101	64.5 Å²	64.5	68%	0.682	36%	0.356	S	S	*	.			trans	-99	-18.6	-176.6	-64.9	0	0	0	0	113.8	E393	E393-C395 PolarHBondContact O-N 2.65Å
396	S	88.6	Confident	81.8	Confident	33 Å²	33	68 Å²	68	23%	0.231	37%	0.368	C	S	.	.	S	Bend	trans	-139.9	160.6	-178.7	83.8	0	0	0	0	112.7	I394 Q398 D399	I394-S396 WeakPolarHBondContact CG2-O 3.5Å; S396-Q398 PolarHBondContact O-N 3.47Å; S396-Q398 PolarHBondContact OG-N 3.48Å; S396-D399 WeakPolarHBondContact CB-OD2 3.47Å; S396-D399 PolarHBondContact O-N 2.96Å; S396-D399 PolarHBondContact OG-N 2.89Å; S396-D399 PolarHBondContact OG-OD2 3.41Å
397	F	88.3	Confident	82.2	Confident	8 Å²	8	62.3 Å²	62.3	4%	0.035	33%	0.333	C	S	.	.	S	Bend	trans	-66.5	-26.1	175.9	-75	-75.9	0	0	0	113.2	L281 D399 V400 H424 E427 I428 L483 F485	L281-F397 HydrophobicContact CD1-CD1 4.1Å; L281-F397 HydrophobicContact CD1-CE1 3.86Å; L281-F397 HydrophobicContact CG-CE1 4.07Å; F397-D399 VanDerWaalsContact C-N 3.33Å; F397-V400 WeakPolarHBondContact O-CG2 3.49Å; F397-H424 HydrophobicContact CD2-CB 3.78Å; F397-H424 HydrophobicContact CE2-CB 3.56Å; F397-H424 AromaticContact CE2-CG 3.71Å; F397-H424 HydrophobicContact CG-CB 4.4Å; F397-H424 HydrophobicContact CZ-CB 3.99Å; F397-E427 HydrophobicContact CB-CB 4.11Å; F397-I428 HydrophobicContact CB-CG1 4Å; F397-I428 HydrophobicContact CD1-CD1 3.79Å; F397-I428 HydrophobicContact CD1-CG1 4.01Å; F397-I428 HydrophobicContact CE1-CD1 4.41Å; F397-I428 HydrophobicContact CG-CG1 4.42Å; F397-L483 HydrophobicContact CD2-CD2 4.13Å; F397-L483 HydrophobicContact CE1-CB 4.22Å; F397-L483 HydrophobicContact CE2-CB 4.43Å; F397-L483 HydrophobicContact CE2-CD2 4.2Å; F397-L483 HydrophobicContact CG-CD2 4.37Å; F397-L483 VanDerWaalsContact CZ-C 3.4Å; F397-L483 HydrophobicContact CZ-CB 4.02Å; F397-F485 HydrophobicContact CD1-CE1 4.25Å; F397-F485 HydrophobicContact CE1-CD1 4.12Å; F397-F485 AromaticContact CE1-CE1 3.69Å; F397-F485 HydrophobicContact CE1-CE1 3.69Å; F397-F485 AromaticContact CE1-CZ 3.96Å; F397-F485 HydrophobicContact CE1-CZ 3.96Å; F397-F485 HydrophobicContact CZ-CD1 4.28Å; F397-F485 HydrophobicContact CZ-CE1 4.3Å
398	Q	85.8	Confident	82.8	Confident	126 Å²	126	57.6 Å²	57.6	59%	0.589	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-72.2	-31.4	177.1	-61.4	177.6	10.9	0	0	111.5	S396 V400 E427	S396-Q398 PolarHBondContact O-N 3.47Å; S396-Q398 PolarHBondContact OG-N 3.48Å; Q398-V400 VanDerWaalsContact C-N 3.28Å; Q398-V400 PolarHBondContact O-N 3.5Å; Q398-E427 HydrophobicContact CG-CB 4.18Å
399	D	82.6	Confident	83.2	Confident	71 Å²	71	57.2 Å²	57.2	38%	0.38	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-81.9	-4.8	-176.2	-59.7	-36.3	0	0	0	113	I394 S396 F397 G401 S402	I394-D399 HydrophobicContact CG2-CB 4.38Å; S396-D399 WeakPolarHBondContact CB-OD2 3.47Å; S396-D399 PolarHBondContact O-N 2.96Å; S396-D399 PolarHBondContact OG-N 2.89Å; S396-D399 PolarHBondContact OG-OD2 3.41Å; F397-D399 VanDerWaalsContact C-N 3.33Å; D399-G401 PolarHBondContact O-N 2.83Å; D399-S402 VanDerWaalsContact O-CB 3.32Å; D399-S402 WeakPolarHBondContact O-CB 3.27Å; D399-S402 PolarHBondContact O-N 3.03Å; D399-S402 PolarHBondContact O-OG 2.91Å
400	V	82.5	Confident	83.4	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.006	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-60	-36.1	-177.1	-179.2	0	0	0	0	111.7	L281 I394 F397 Q398 S402 I407	L281-V400 HydrophobicContact CD1-CG2 4.16Å; I394-V400 HydrophobicContact CG2-CG2 3.97Å; F397-V400 WeakPolarHBondContact O-CG2 3.49Å; Q398-V400 VanDerWaalsContact C-N 3.28Å; Q398-V400 PolarHBondContact O-N 3.5Å; V400-S402 VanDerWaalsContact C-N 3.31Å; V400-S402 PolarHBondContact O-N 2.94Å; V400-I407 HydrophobicContact CB-CD1 4.38Å; V400-I407 HydrophobicContact CG1-CD1 3.72Å; V400-I407 HydrophobicContact CG1-CG1 3.5Å; V400-I407 VanDerWaalsContact CG1-CG1 3.5Å; V400-I407 HydrophobicContact CG2-CD1 4.29Å
401	G	72.7	Confident	83.5	Confident	6 Å²	6	53.6 Å²	53.6	6%	0.062	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-74.7	-12.1	177.2	0	0	0	0	0	115.7	D399 Y403 N404 D432	D399-G401 PolarHBondContact O-N 2.83Å; G401-Y403 VanDerWaalsContact C-N 3.26Å; G401-Y403 PolarHBondContact O-N 3.18Å; G401-N404 PolarHBondContact O-N 3.42Å; G401-D432 WeakPolarHBondContact CA-OD1 3.5Å
402	S	72.3	Confident	83.5	Confident	72 Å²	72	53.4 Å²	53.4	50%	0.503	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-66.9	-24.4	-170.6	63.6	0	0	0	0	114	D399 V400	D399-S402 VanDerWaalsContact O-CB 3.32Å; D399-S402 WeakPolarHBondContact O-CB 3.27Å; D399-S402 PolarHBondContact O-N 3.03Å; D399-S402 PolarHBondContact O-OG 2.91Å; V400-S402 VanDerWaalsContact C-N 3.31Å; V400-S402 PolarHBondContact O-N 2.94Å
403	Y	69.9	Low	83.7	Confident	83 Å²	83	50.6 Å²	50.6	33%	0.325	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-108.6	17.2	-177.5	-60.5	-73.8	0	0	0	114.1	P392 I394 G401 R405	P392-Y403 WeakPolarHBondContact CB-OH 3.38Å; P392-Y403 VanDerWaalsContact CG-OH 3.27Å; P392-Y403 WeakPolarHBondContact CG-OH 3.43Å; I394-Y403 HydrophobicContact CG1-CD2 4.39Å; G401-Y403 VanDerWaalsContact C-N 3.26Å; G401-Y403 PolarHBondContact O-N 3.18Å; Y403-R405 WeakPolarHBondContact O-CG 3.45Å; Y403-R405 PolarHBondContact O-N 3.08Å; Y403-R405 VanDerWaalsContact O-N 3.15Å
404	N	66.3	Low	84	Confident	159 Å²	159	45.1 Å²	45.1	85%	0.85	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	24.1	-172.9	-72.4	-23.7	0	0	0	114	G401	G401-N404 PolarHBondContact O-N 3.42Å
405	R	77.8	Confident	84.1	Confident	50 Å²	50	48.5 Å²	48.5	19%	0.189	26%	0.255	C	S	.	.			trans	-102.8	95.2	179.8	-63.1	-179.8	-166.7	166.5	8.9	109.4	E391 Y403 N454	E391-R405 IonicContact OE2-NH2 3.94Å; E391-R405 PolarHBondContact OE2-NH2 3.23Å; E391-R405 VanDerWaalsContact OE2-NH2 3.08Å; Y403-R405 WeakPolarHBondContact O-CG 3.45Å; Y403-R405 PolarHBondContact O-N 3.08Å; Y403-R405 VanDerWaalsContact O-N 3.15Å; R405-N454 PolarHBondContact O-ND2 3.38Å
406	R	89.8	Confident	84.1	Confident	118 Å²	118	44.1 Å²	44.1	45%	0.445	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	154.4	179.7	-65.2	-177.9	-176.7	172.4	2.1	111.9	D432 E434 Y453 N454	R406-D432 CarbonylContact C-O 3.47Å; R406-D432 WeakPolarHBondContact CA-O 3.13Å; R406-D432 WeakPolarHBondContact CB-O 3.49Å; R406-E434 IonicContact CZ-OE2 2.79Å; R406-E434 IonicContact NH1-OE2 3.08Å; R406-E434 PolarHBondContact NH1-OE2 3.04Å; R406-Y453 HydrophobicContact CB-CD1 4.01Å; R406-Y453 HydrophobicContact CB-CE1 4.38Å; R406-Y453 CarbonylContact O-C 3.58Å; R406-Y453 VanDerWaalsContact O-CA 3.31Å; R406-Y453 WeakPolarHBondContact O-CA 3.18Å; R406-N454 PolarHBondContact O-N 3.33Å
407	I	92.8	Very high	84.1	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	121	170.5	-50.3	168.7	0	0	0	109	L281 V400 M409 I428 D432 L433 E434 N454 V456	L281-I407 HydrophobicContact CD1-CD1 4.15Å; L281-I407 HydrophobicContact CD2-CD1 4.08Å; L281-I407 HydrophobicContact CD2-CG2 4.24Å; V400-I407 HydrophobicContact CB-CD1 4.38Å; V400-I407 HydrophobicContact CG1-CD1 3.72Å; V400-I407 HydrophobicContact CG1-CG1 3.5Å; V400-I407 VanDerWaalsContact CG1-CG1 3.5Å; V400-I407 HydrophobicContact CG2-CD1 4.29Å; I407-M409 HydrophobicContact CB-CE 4.34Å; I407-M409 HydrophobicContact CG2-CE 4Å; I407-M409 HydrophobicContact CG2-CG 3.89Å; I407-M409 HydrophobicContact CG2-SD 4.5Å; I407-I428 HydrophobicContact CD1-CD1 3.93Å; I407-I428 HydrophobicContact CD1-CG2 4.37Å; I407-D432 PolarHBondContact N-O 3.48Å; I407-L433 HydrophobicContact CB-CD2 3.87Å; I407-L433 HydrophobicContact CD1-CD2 4.04Å; I407-L433 HydrophobicContact CG1-CD2 4.35Å; I407-E434 PolarHBondContact O-N 2.88Å; I407-N454 CarbonylContact C-O 3.48Å; I407-N454 WeakPolarHBondContact CA-O 3.35Å; I407-N454 HydrophobicContact CG1-CB 4.41Å; I407-V456 HydrophobicContact CG2-CG1 4.07Å
408	A	94	Very high	84.1	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	122.3	169.4	0	0	0	0	0	110.2	E434 F436 Y453 N454 Y455	A408-E434 WeakPolarHBondContact CA-O 3.4Å; A408-F436 HydrophobicContact CB-CD2 4.3Å; A408-F436 HydrophobicContact CB-CE2 3.76Å; A408-Y453 HydrophobicContact CB-CD1 4.29Å; A408-Y453 HydrophobicContact CB-CD2 4.42Å; A408-Y453 HydrophobicContact CB-CG 3.9Å; A408-N454 PolarHBondContact N-O 3.4Å; A408-Y455 HydrophobicContact CB-CD1 3.8Å; A408-Y455 HydrophobicContact CB-CE1 3.59Å
409	M	92.2	Very high	84.1	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	153	175.8	-71.1	-166.9	-98.1	0	0	110.9	I407 V414 L417 F425 L433 E434 I435 F436 V456 F485	I407-M409 HydrophobicContact CB-CE 4.34Å; I407-M409 HydrophobicContact CG2-CE 4Å; I407-M409 HydrophobicContact CG2-CG 3.89Å; I407-M409 HydrophobicContact CG2-SD 4.5Å; M409-V414 HydrophobicContact CB-CG2 3.85Å; M409-V414 HydrophobicContact SD-CG2 4.33Å; M409-L417 HydrophobicContact SD-CD1 4.4Å; M409-F425 HydrophobicContact CE-CD2 4.31Å; M409-F425 HydrophobicContact CE-CE2 3.77Å; M409-F425 HydrophobicContact SD-CE2 4.46Å; M409-L433 HydrophobicContact CE-CD1 4.1Å; M409-L433 HydrophobicContact CE-CD2 3.22Å; M409-L433 HydrophobicContact CE-CG 4.26Å; M409-E434 PolarHBondContact N-O 2.8Å; M409-I435 WeakPolarHBondContact O-CA 3.4Å; M409-F436 PolarHBondContact O-N 3.09Å; M409-V456 HydrophobicContact CG-CB 4.37Å; M409-V456 HydrophobicContact CG-CG1 3.61Å; M409-V456 HydrophobicContact CG-CG2 3.78Å; M409-V456 HydrophobicContact SD-CG1 3.6Å; M409-V456 VanDerWaalsContact SD-CG1 3.6Å; M409-V456 HydrophobicContact SD-CG2 4.42Å; M409-F485 HydrophobicContact CE-CZ 4.41Å; M409-F485 HydrophobicContact SD-CE2 4.43Å; M409-F485 HydrophobicContact SD-CZ 4.45Å
410	S	89.9	Confident	84.1	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	152	169.7	67.5	0	0	0	0	112.6	L412 E413 V414 F436 M439	S410-L412 PolarHBondContact O-N 3.23Å; S410-E413 WeakPolarHBondContact CB-OE2 3.4Å; S410-E413 PolarHBondContact N-OE2 3.06Å; S410-E413 VanDerWaalsContact N-OE2 3.1Å; S410-E413 PolarHBondContact O-N 3.34Å; S410-E413 WeakPolarHBondContact OG-CB 3.17Å; S410-E413 WeakPolarHBondContact OG-CG 3.37Å; S410-E413 PolarHBondContact OG-N 3.12Å; S410-E413 VanDerWaalsContact OG-N 3.14Å; S410-E413 PolarHBondContact OG-OE2 3.5Å; S410-V414 WeakPolarHBondContact O-CG2 3.5Å; S410-V414 PolarHBondContact O-N 3.04Å; S410-F436 CarbonylContact C-O 3.51Å; S410-F436 WeakPolarHBondContact CA-O 3.42Å; S410-M439 WeakPolarHBondContact CB-SD 3.48Å; S410-M439 WeakPolarHBondContact OG-CE 3.41Å; S410-M439 PolarHBondContact OG-SD 2.6Å
411	A	88.6	Confident	84.2	Confident	19 Å²	19	51.8 Å²	51.8	16%	0.157	26%	0.262	C	S	.	.	H	α-helix	trans	-58.1	-30.8	172.8	0	0	0	0	0	112.4	N415 I435 F436	A411-N415 VanDerWaalsContact O-CB 3.26Å; A411-N415 WeakPolarHBondContact O-CB 3.41Å; A411-N415 PolarHBondContact O-N 3.36Å; A411-N415 PolarHBondContact O-ND2 3.31Å; A411-I435 HydrophobicContact CB-CG2 4.03Å; A411-F436 PolarHBondContact N-O 3.4Å
412	L	82.6	Confident	84.9	Confident	56 Å²	56	52.5 Å²	52.5	29%	0.293	27%	0.265	S	S	.	.	H	α-helix	trans	-68.4	-45.1	177.8	-169.7	154.3	0	0	0	111.4	S410 G416 M439	S410-L412 PolarHBondContact O-N 3.23Å; L412-G416 PolarHBondContact O-N 2.92Å; L412-G416 VanDerWaalsContact O-N 3.09Å; L412-M439 HydrophobicContact CB-CG 4.18Å; L412-M439 HydrophobicContact CB-SD 3.54Å; L412-M439 VanDerWaalsContact CB-SD 3.54Å; L412-M439 HydrophobicContact CD1-SD 4.21Å; L412-M439 HydrophobicContact CD2-SD 4.4Å; L412-M439 HydrophobicContact CG-SD 4.26Å
413	E	87.4	Confident	85.7	Confident	25 Å²	25	52.5 Å²	52.5	12%	0.117	27%	0.265	C	S	.	.	H	α-helix	trans	-64.9	-45.8	177.6	-73.6	158.1	162.2	0	0	111	Y279 S410 N415 G416 L417 Y443	Y279-E413 WeakPolarHBondContact OH-CB 3.46Å; Y279-E413 WeakPolarHBondContact OH-CG 3.27Å; S410-E413 WeakPolarHBondContact CB-OE2 3.4Å; S410-E413 PolarHBondContact N-OE2 3.06Å; S410-E413 VanDerWaalsContact N-OE2 3.1Å; S410-E413 PolarHBondContact O-N 3.34Å; S410-E413 WeakPolarHBondContact OG-CB 3.17Å; S410-E413 WeakPolarHBondContact OG-CG 3.37Å; S410-E413 PolarHBondContact OG-N 3.12Å; S410-E413 VanDerWaalsContact OG-N 3.14Å; S410-E413 PolarHBondContact OG-OE2 3.5Å; E413-N415 PolarHBondContact O-N 3.4Å; E413-G416 PolarHBondContact O-N 3.05Å; E413-G416 VanDerWaalsContact O-N 3.12Å; E413-L417 PolarHBondContact O-N 2.03Å; E413-Y443 PolarHBondContact OE1-OH 2.64Å
414	V	89.7	Confident	86.7	Confident	7 Å²	7	51.9 Å²	51.9	4%	0.042	27%	0.265	C	S	.	.	H	α-helix	trans	-58.4	-48	176.8	170.6	0	0	0	0	111	M409 S410 G416 L417 I418 F425 I435	M409-V414 HydrophobicContact CB-CG2 3.85Å; M409-V414 HydrophobicContact SD-CG2 4.33Å; S410-V414 WeakPolarHBondContact O-CG2 3.5Å; S410-V414 PolarHBondContact O-N 3.04Å; V414-G416 VanDerWaalsContact C-N 3.26Å; V414-G416 PolarHBondContact O-N 3.14Å; V414-L417 PolarHBondContact O-N 3.28Å; V414-I418 HydrophobicContact CG1-CD1 3.62Å; V414-I418 HydrophobicContact CG1-CG1 4.3Å; V414-I418 WeakPolarHBondContact O-CG1 3.39Å; V414-I418 PolarHBondContact O-N 2.95Å; V414-F425 HydrophobicContact CG1-CE1 4.46Å; V414-F425 HydrophobicContact CG1-CZ 3.85Å; V414-F425 HydrophobicContact CG2-CZ 4.47Å; V414-I435 HydrophobicContact CG1-CD1 4.31Å; V414-I435 HydrophobicContact CG2-CD1 4.35Å; V414-I435 HydrophobicContact CG2-CG1 4.29Å; V414-I435 HydrophobicContact CG2-CG2 4.44Å
415	N	87.8	Confident	87.8	Confident	83 Å²	83	44.8 Å²	44.8	44%	0.444	23%	0.226	S	C	.	.	H	α-helix	trans	-61.4	-34.4	177.6	-78.3	-42	0	0	0	112.7	A411 E413 K419	A411-N415 VanDerWaalsContact O-CB 3.26Å; A411-N415 WeakPolarHBondContact O-CB 3.41Å; A411-N415 PolarHBondContact O-N 3.36Å; A411-N415 PolarHBondContact O-ND2 3.31Å; E413-N415 PolarHBondContact O-N 3.4Å; N415-K419 VanDerWaalsContact O-CB 3.31Å; N415-K419 WeakPolarHBondContact O-CB 3.27Å; N415-K419 WeakPolarHBondContact O-CG 2.79Å; N415-K419 PolarHBondContact O-N 2.62Å
416	G	84.9	Confident	88.3	Confident	10 Å²	10	50.8 Å²	50.8	10%	0.103	25%	0.249	C	C	.	.	H	α-helix	trans	-65.3	-45.4	174.2	0	0	0	0	0	112.6	L412 E413 V414 K419 T420	L412-G416 PolarHBondContact O-N 2.92Å; L412-G416 VanDerWaalsContact O-N 3.09Å; E413-G416 PolarHBondContact O-N 3.05Å; E413-G416 VanDerWaalsContact O-N 3.12Å; V414-G416 VanDerWaalsContact C-N 3.26Å; V414-G416 PolarHBondContact O-N 3.14Å; G416-K419 PolarHBondContact O-N 2.84Å; G416-T420 WeakPolarHBondContact O-CG2 3.36Å; G416-T420 PolarHBondContact O-N 3.04Å; G416-T420 PolarHBondContact O-OG1 2.91Å
417	L	88.6	Confident	88.3	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-66.8	-39.6	178.5	-68	175.4	0	0	0	112.5	F262 Y279 M409 E413 V414 T420 N421 N422 F425 F485	F262-L417 HydrophobicContact CE1-CD2 4.43Å; F262-L417 HydrophobicContact CE2-CD2 4.49Å; F262-L417 HydrophobicContact CZ-CD2 4.27Å; Y279-L417 HydrophobicContact CD1-CD2 4.46Å; Y279-L417 HydrophobicContact CE1-CD1 4.19Å; Y279-L417 HydrophobicContact CE1-CD2 4.15Å; Y279-L417 HydrophobicContact CE1-CG 4.43Å; M409-L417 HydrophobicContact SD-CD1 4.4Å; E413-L417 PolarHBondContact O-N 2.03Å; V414-L417 PolarHBondContact O-N 3.28Å; L417-T420 WeakPolarHBondContact CA-OG1 3.15Å; L417-T420 PolarHBondContact O-OG1 3.48Å; L417-N421 PolarHBondContact O-N 3.25Å; L417-N422 HydrophobicContact CB-CB 4.49Å; L417-N422 HydrophobicContact CD2-CB 4.2Å; L417-N422 PolarHBondContact O-N 2.63Å; L417-N422 VanDerWaalsContact O-N 3.16Å; L417-F425 HydrophobicContact CB-CB 4.24Å; L417-F425 HydrophobicContact CB-CD1 4.21Å; L417-F425 HydrophobicContact CB-CD2 4.27Å; L417-F425 HydrophobicContact CB-CG 3.96Å; L417-F425 HydrophobicContact CD1-CB 4.36Å; L417-F425 HydrophobicContact CD1-CD2 3.63Å; L417-F425 HydrophobicContact CD1-CE2 4.2Å; L417-F425 HydrophobicContact CD1-CG 4.08Å; L417-F485 HydrophobicContact CD1-CD1 4.2Å; L417-F485 HydrophobicContact CD1-CD2 4.17Å; L417-F485 HydrophobicContact CD1-CE1 4.28Å; L417-F485 HydrophobicContact CD1-CE2 4.23Å; L417-F485 HydrophobicContact CD1-CG 4.14Å; L417-F485 HydrophobicContact CD1-CZ 4.29Å; L417-F485 HydrophobicContact CD2-CB 3.99Å; L417-F485 HydrophobicContact CD2-CD1 4.5Å; L417-F485 HydrophobicContact CD2-CG 4.16Å
418	I	88.9	Confident	88.1	Confident	87 Å²	87	49 Å²	49	45%	0.446	25%	0.246	S	C	.	.	H	α-helix	trans	-63.9	-47.5	175	-67.7	170.6	0	0	0	110.4	V414 T420 N421 F425	V414-I418 HydrophobicContact CG1-CD1 3.62Å; V414-I418 HydrophobicContact CG1-CG1 4.3Å; V414-I418 WeakPolarHBondContact O-CG1 3.39Å; V414-I418 PolarHBondContact O-N 2.95Å; I418-T420 VanDerWaalsContact C-N 3.31Å; I418-T420 PolarHBondContact O-N 3.22Å; I418-N421 PolarHBondContact O-N 3.01Å; I418-F425 HydrophobicContact CD1-CE1 4.2Å; I418-F425 HydrophobicContact CG1-CD1 4.21Å; I418-F425 HydrophobicContact CG1-CE1 3.61Å; I418-F425 HydrophobicContact CG1-CZ 4.47Å
419	K	85.3	Confident	87.8	Confident	173 Å²	173	55.8 Å²	55.8	75%	0.752	27%	0.272	S	S	*	.	H	α-helix	trans	-62.9	-36	-179.7	-78.7	174.4	-178.8	177.4	0	113.2	N415 G416 N421	N415-K419 VanDerWaalsContact O-CB 3.31Å; N415-K419 WeakPolarHBondContact O-CB 3.27Å; N415-K419 WeakPolarHBondContact O-CG 2.79Å; N415-K419 PolarHBondContact O-N 2.62Å; G416-K419 PolarHBondContact O-N 2.84Å; K419-N421 PolarHBondContact O-N 3.32Å
420	T	82.1	Confident	87.5	Confident	44 Å²	44	61.4 Å²	61.4	27%	0.27	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-0.1	177.6	51.9	0	0	0	0	113.2	F262 G416 L417 I418 N422	F262-T420 HydrophobicContact CB-CG2 4.13Å; F262-T420 HydrophobicContact CD1-CG2 4.13Å; F262-T420 WeakPolarHBondContact O-CG2 3.44Å; G416-T420 WeakPolarHBondContact O-CG2 3.36Å; G416-T420 PolarHBondContact O-N 3.04Å; G416-T420 PolarHBondContact O-OG1 2.91Å; L417-T420 WeakPolarHBondContact CA-OG1 3.15Å; L417-T420 PolarHBondContact O-OG1 3.48Å; I418-T420 VanDerWaalsContact C-N 3.31Å; I418-T420 PolarHBondContact O-N 3.22Å; T420-N422 VanDerWaalsContact C-N 3.3Å; T420-N422 PolarHBondContact O-N 3.1Å
421	N	85.6	Confident	87.4	Confident	93 Å²	93	67.8 Å²	67.8	50%	0.497	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	43.3	178.6	-162.8	34.6	0	0	0	113.6	L417 I418 K419 S423 R426	L417-N421 PolarHBondContact O-N 3.25Å; I418-N421 PolarHBondContact O-N 3.01Å; K419-N421 PolarHBondContact O-N 3.32Å; N421-S423 PolarHBondContact O-N 3.18Å; N421-R426 PolarHBondContact OD1-NE 3.26Å; N421-R426 PolarHBondContact OD1-NH2 2.96Å
422	N	87.7	Confident	87.4	Confident	22 Å²	22	67.6 Å²	67.6	12%	0.118	33%	0.33	C	S	.	.			trans	-63.4	127.7	-174.9	-171.3	-82.4	0	0	0	111.7	L417 T420 H424 F425 R426 F485	L417-N422 HydrophobicContact CB-CB 4.49Å; L417-N422 HydrophobicContact CD2-CB 4.2Å; L417-N422 PolarHBondContact O-N 2.63Å; L417-N422 VanDerWaalsContact O-N 3.16Å; T420-N422 VanDerWaalsContact C-N 3.3Å; T420-N422 PolarHBondContact O-N 3.1Å; N422-H424 WeakPolarHBondContact OD1-CB 3.44Å; N422-H424 PolarHBondContact OD1-N 3.06Å; N422-H424 VanDerWaalsContact OD1-N 3.12Å; N422-F425 HydrophobicContact CB-CB 4.05Å; N422-F425 PolarHBondContact OD1-N 3.31Å; N422-R426 WeakPolarHBondContact O-CG 3.37Å; N422-F485 PolarHBondContact ND2-O 3.29Å
423	S	89	Confident	87.9	Confident	72 Å²	72	65.6 Å²	65.6	50%	0.503	32%	0.319	S	S	.	.	H	α-helix	trans	-65.9	-45	-177.8	52.1	0	0	0	0	112.6	N421 F425 R426	N421-S423 PolarHBondContact O-N 3.18Å; S423-F425 PolarHBondContact O-N 3.28Å; S423-R426 WeakPolarHBondContact O-CB 3.47Å; S423-R426 PolarHBondContact O-N 3.04Å
424	H	89.6	Confident	88.1	Confident	69 Å²	69	67 Å²	67	32%	0.319	33%	0.326	S	S	.	.	H	α-helix	trans	-67.2	-36	-177.6	-64.2	-46.9	0	0	0	112.4	F397 N422 R426 E427 C484 F485	F397-H424 HydrophobicContact CD2-CB 3.78Å; F397-H424 HydrophobicContact CE2-CB 3.56Å; F397-H424 AromaticContact CE2-CG 3.71Å; F397-H424 HydrophobicContact CG-CB 4.4Å; F397-H424 HydrophobicContact CZ-CB 3.99Å; N422-H424 WeakPolarHBondContact OD1-CB 3.44Å; N422-H424 PolarHBondContact OD1-N 3.06Å; N422-H424 VanDerWaalsContact OD1-N 3.12Å; H424-R426 VanDerWaalsContact C-N 3.26Å; H424-R426 PolarHBondContact O-N 2.99Å; H424-E427 IonicContact ND1-OE1 3.18Å; H424-E427 PolarHBondContact ND1-OE1 3.03Å; H424-E427 WeakPolarHBondContact O-CB 3.31Å; H424-E427 PolarHBondContact O-N 2.91Å; H424-C484 PolarHBondContact CD2-O 3.43Å; H424-F485 HydrophobicContact CB-CD1 4.27Å
425	F	89.8	Confident	88.3	Confident	11 Å²	11	70.4 Å²	70.4	5%	0.048	34%	0.343	C	S	.	.	H	α-helix	trans	-62.6	-33.4	174.9	-176.9	-105.2	0	0	0	112.7	M409 V414 L417 I418 N422 S423 E427 I428 L433 F485	M409-F425 HydrophobicContact CE-CD2 4.31Å; M409-F425 HydrophobicContact CE-CE2 3.77Å; M409-F425 HydrophobicContact SD-CE2 4.46Å; V414-F425 HydrophobicContact CG1-CE1 4.46Å; V414-F425 HydrophobicContact CG1-CZ 3.85Å; V414-F425 HydrophobicContact CG2-CZ 4.47Å; L417-F425 HydrophobicContact CB-CB 4.24Å; L417-F425 HydrophobicContact CB-CD1 4.21Å; L417-F425 HydrophobicContact CB-CD2 4.27Å; L417-F425 HydrophobicContact CB-CG 3.96Å; L417-F425 HydrophobicContact CD1-CB 4.36Å; L417-F425 HydrophobicContact CD1-CD2 3.63Å; L417-F425 HydrophobicContact CD1-CE2 4.2Å; L417-F425 HydrophobicContact CD1-CG 4.08Å; I418-F425 HydrophobicContact CD1-CE1 4.2Å; I418-F425 HydrophobicContact CG1-CD1 4.21Å; I418-F425 HydrophobicContact CG1-CE1 3.61Å; I418-F425 HydrophobicContact CG1-CZ 4.47Å; N422-F425 HydrophobicContact CB-CB 4.05Å; N422-F425 PolarHBondContact OD1-N 3.31Å; S423-F425 PolarHBondContact O-N 3.28Å; F425-E427 VanDerWaalsContact C-N 3.25Å; F425-E427 PolarHBondContact O-N 2.81Å; F425-I428 HydrophobicContact CD2-CD1 4.38Å; F425-I428 PolarHBondContact O-N 3.46Å; F425-L433 HydrophobicContact CE2-CD1 3.78Å; F425-L433 HydrophobicContact CZ-CD1 3.86Å; F425-F485 HydrophobicContact CB-CD1 4.19Å; F425-F485 HydrophobicContact CB-CE1 4.05Å; F425-F485 HydrophobicContact CD2-CE1 4.07Å; F425-F485 HydrophobicContact CD2-CZ 4.4Å
426	R	88.6	Confident	88.4	Confident	175 Å²	175	67.7 Å²	67.7	66%	0.66	33%	0.327	S	S	*	.	H	α-helix	trans	-70.2	-20.8	177.7	-68.6	169.8	165.3	-144	-9.2	113.6	N421 N422 S423 H424	N421-R426 PolarHBondContact OD1-NE 3.26Å; N421-R426 PolarHBondContact OD1-NH2 2.96Å; N422-R426 WeakPolarHBondContact O-CG 3.37Å; S423-R426 WeakPolarHBondContact O-CB 3.47Å; S423-R426 PolarHBondContact O-N 3.04Å; H424-R426 VanDerWaalsContact C-N 3.26Å; H424-R426 PolarHBondContact O-N 2.99Å
427	E	89	Confident	88.4	Confident	71 Å²	71	73.3 Å²	73.3	33%	0.332	36%	0.355	S	S	.	.	H	α-helix	trans	-74.4	-19.4	177.4	-63.8	170.2	-145.3	0	0	111.9	F397 Q398 H424 F425	F397-E427 HydrophobicContact CB-CB 4.11Å; Q398-E427 HydrophobicContact CG-CB 4.18Å; H424-E427 IonicContact ND1-OE1 3.18Å; H424-E427 PolarHBondContact ND1-OE1 3.03Å; H424-E427 WeakPolarHBondContact O-CB 3.31Å; H424-E427 PolarHBondContact O-N 2.91Å; F425-E427 VanDerWaalsContact C-N 3.25Å; F425-E427 PolarHBondContact O-N 2.81Å
428	I	89.2	Confident	88.2	Confident	11 Å²	11	74.7 Å²	74.7	6%	0.056	36%	0.362	C	S	.	.	S	Bend	trans	-83.7	132.9	-179.7	-52.3	170.3	0	0	0	109.5	F397 I407 F425 D432 L433 F485	F397-I428 HydrophobicContact CB-CG1 4Å; F397-I428 HydrophobicContact CD1-CD1 3.79Å; F397-I428 HydrophobicContact CD1-CG1 4.01Å; F397-I428 HydrophobicContact CE1-CD1 4.41Å; F397-I428 HydrophobicContact CG-CG1 4.42Å; I407-I428 HydrophobicContact CD1-CD1 3.93Å; I407-I428 HydrophobicContact CD1-CG2 4.37Å; F425-I428 HydrophobicContact CD2-CD1 4.38Å; F425-I428 PolarHBondContact O-N 3.46Å; I428-D432 HydrophobicContact CG2-CB 4.38Å; I428-L433 HydrophobicContact CG2-CD1 4.42Å; I428-L433 HydrophobicContact CG2-CD2 3.65Å; I428-L433 HydrophobicContact CG2-CG 3.95Å; I428-F485 HydrophobicContact CD1-CE1 3.66Å; I428-F485 HydrophobicContact CD1-CZ 3.73Å
429	R	87.9	Confident	87.9	Confident	142 Å²	142	71.7 Å²	71.7	54%	0.536	35%	0.347	S	S	.	.			trans	-76.5	142.5	174.8	-52.9	178.3	-60.9	178.1	7.1	109.9	D431 D432	R429-D431 PolarHBondContact O-N 3.33Å; R429-D432 WeakPolarHBondContact CB-OD2 3.39Å; R429-D432 IonicContact CZ-OD1 3.08Å; R429-D432 IonicContact CZ-OD2 3.19Å; R429-D432 IonicContact NE-OD1 3.53Å; R429-D432 IonicContact NE-OD2 2.66Å; R429-D432 PolarHBondContact NE-OD2 3.48Å; R429-D432 IonicContact NH2-OD1 2.77Å; R429-D432 PolarHBondContact NH2-OD1 3.28Å; R429-D432 IonicContact NH2-OD2 3.99Å; R429-D432 PolarHBondContact NH2-OD2 2.97Å; R429-D432 WeakPolarHBondContact O-CB 3.38Å; R429-D432 PolarHBondContact O-N 2.96Å
430	M	85.7	Confident	87.8	Confident	118 Å²	118	65.5 Å²	65.5	58%	0.581	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-60.8	-31.8	-179.8	-70.2	-65.5	179.8	0	0	113.1	D432 L433	M430-D432 PolarHBondContact O-N 2.97Å; M430-L433 PolarHBondContact O-N 3.08Å; M430-L433 VanDerWaalsContact O-N 3.11Å; M430-L433 HydrophobicContact SD-CD1 4.12Å
431	D	87	Confident	88	Confident	134 Å²	134	67.7 Å²	67.7	72%	0.717	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-67.7	-18.6	177.8	-60.4	-30.9	0	0	0	113.4	R429 L433	R429-D431 PolarHBondContact O-N 3.33Å; D431-L433 VanDerWaalsContact C-N 3.31Å
432	D	89.3	Confident	88.2	Confident	15 Å²	15	63.3 Å²	63.3	8%	0.08	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-89.5	0.9	177.1	-57	-38.6	0	0	0	111.9	G401 R406 I407 I428 R429 M430	G401-D432 WeakPolarHBondContact CA-OD1 3.5Å; R406-D432 CarbonylContact C-O 3.47Å; R406-D432 WeakPolarHBondContact CA-O 3.13Å; R406-D432 WeakPolarHBondContact CB-O 3.49Å; I407-D432 PolarHBondContact N-O 3.48Å; I428-D432 HydrophobicContact CG2-CB 4.38Å; R429-D432 WeakPolarHBondContact CB-OD2 3.39Å; R429-D432 IonicContact CZ-OD1 3.08Å; R429-D432 IonicContact CZ-OD2 3.19Å; R429-D432 IonicContact NE-OD1 3.53Å; R429-D432 IonicContact NE-OD2 2.66Å; R429-D432 PolarHBondContact NE-OD2 3.48Å; R429-D432 IonicContact NH2-OD1 2.77Å; R429-D432 PolarHBondContact NH2-OD1 3.28Å; R429-D432 IonicContact NH2-OD2 3.99Å; R429-D432 PolarHBondContact NH2-OD2 2.97Å; R429-D432 WeakPolarHBondContact O-CB 3.38Å; R429-D432 PolarHBondContact O-N 2.96Å; M430-D432 PolarHBondContact O-N 2.97Å
433	L	91.8	Very high	88.3	Confident	13 Å²	13	64.2 Å²	64.2	7%	0.068	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	135.5	-179.9	-61.1	-176.3	0	0	0	111.5	I407 M409 F425 I428 M430 D431 I435	I407-L433 HydrophobicContact CB-CD2 3.87Å; I407-L433 HydrophobicContact CD1-CD2 4.04Å; I407-L433 HydrophobicContact CG1-CD2 4.35Å; M409-L433 HydrophobicContact CE-CD1 4.1Å; M409-L433 HydrophobicContact CE-CD2 3.22Å; M409-L433 HydrophobicContact CE-CG 4.26Å; F425-L433 HydrophobicContact CE2-CD1 3.78Å; F425-L433 HydrophobicContact CZ-CD1 3.86Å; I428-L433 HydrophobicContact CG2-CD1 4.42Å; I428-L433 HydrophobicContact CG2-CD2 3.65Å; I428-L433 HydrophobicContact CG2-CG 3.95Å; M430-L433 PolarHBondContact O-N 3.08Å; M430-L433 VanDerWaalsContact O-N 3.11Å; M430-L433 HydrophobicContact SD-CD1 4.12Å; D431-L433 VanDerWaalsContact C-N 3.31Å; L433-I435 HydrophobicContact CB-CG1 4.39Å
434	E	92.9	Very high	88.4	Confident	56 Å²	56	67.2 Å²	67.2	26%	0.262	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	108.7	167.6	-165.8	70.3	-149.9	0	0	108.1	R406 I407 A408 M409 F436 Y453	R406-E434 IonicContact CZ-OE2 2.79Å; R406-E434 IonicContact NH1-OE2 3.08Å; R406-E434 PolarHBondContact NH1-OE2 3.04Å; I407-E434 PolarHBondContact O-N 2.88Å; A408-E434 WeakPolarHBondContact CA-O 3.4Å; M409-E434 PolarHBondContact N-O 2.8Å; E434-F436 HydrophobicContact CB-CE2 4.21Å; E434-F436 HydrophobicContact CG-CD2 4.48Å; E434-F436 HydrophobicContact CG-CE2 3.69Å; E434-F436 HydrophobicContact CG-CZ 4.02Å; E434-Y453 HydrophobicContact CB-CD1 4.08Å; E434-Y453 HydrophobicContact CB-CE1 3.79Å; E434-Y453 HydrophobicContact CG-CD1 4.47Å; E434-Y453 HydrophobicContact CG-CE1 3.75Å
435	I	92.9	Very high	88.5	Confident	77 Å²	77	66 Å²	66	40%	0.395	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	118	-173.8	-54.3	176.3	0	0	0	109.8	M409 A411 V414 L433	M409-I435 WeakPolarHBondContact O-CA 3.4Å; A411-I435 HydrophobicContact CB-CG2 4.03Å; V414-I435 HydrophobicContact CG1-CD1 4.31Å; V414-I435 HydrophobicContact CG2-CD1 4.35Å; V414-I435 HydrophobicContact CG2-CG1 4.29Å; V414-I435 HydrophobicContact CG2-CG2 4.44Å; L433-I435 HydrophobicContact CB-CG1 4.39Å
436	F	90.5	Very high	88.6	Confident	26 Å²	26	66.1 Å²	66.1	11%	0.114	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	123.8	175.9	-68.6	-96	0	0	0	110.6	A408 M409 S410 A411 E434 N438 E441 C442 L445	A408-F436 HydrophobicContact CB-CD2 4.3Å; A408-F436 HydrophobicContact CB-CE2 3.76Å; M409-F436 PolarHBondContact O-N 3.09Å; S410-F436 CarbonylContact C-O 3.51Å; S410-F436 WeakPolarHBondContact CA-O 3.42Å; A411-F436 PolarHBondContact N-O 3.4Å; E434-F436 HydrophobicContact CB-CE2 4.21Å; E434-F436 HydrophobicContact CG-CD2 4.48Å; E434-F436 HydrophobicContact CG-CE2 3.69Å; E434-F436 HydrophobicContact CG-CZ 4.02Å; F436-N438 VanDerWaalsContact C-N 3.27Å; F436-N438 PolarHBondContact O-N 2.98Å; F436-E441 HydrophobicContact CD1-CG 4.15Å; F436-E441 HydrophobicContact CE1-CG 4.4Å; F436-C442 HydrophobicContact CB-CB 3.9Å; F436-C442 HydrophobicContact CD2-CB 4.07Å; F436-C442 HydrophobicContact CG-CB 3.97Å; F436-L445 HydrophobicContact CE1-CD1 3.73Å; F436-L445 HydrophobicContact CE2-CD1 4.37Å; F436-L445 HydrophobicContact CZ-CD1 3.54Å
437	D	85.9	Confident	88.7	Confident	128 Å²	128	60.5 Å²	60.5	68%	0.684	30%	0.295	S	S	*	.	S	Bend	trans	-64.6	-35.6	172.2	-72.8	-35.3	0	0	0	111.7
438	N	82.8	Confident	88.8	Confident	32 Å²	32	60 Å²	60	17%	0.171	30%	0.303	C	S	.	.			trans	-94.8	110.8	-178.5	-169.6	26.5	0	0	0	111	K237 F436 P440 E441 C442	K237-N438 PolarHBondContact O-OD1 2.97Å; F436-N438 VanDerWaalsContact C-N 3.27Å; F436-N438 PolarHBondContact O-N 2.98Å; N438-P440 VanDerWaalsContact OD1-CD 3.31Å; N438-P440 WeakPolarHBondContact OD1-CD 3.45Å; N438-E441 HydrophobicContact CB-CB 4.08Å; N438-E441 PolarHBondContact O-N 3.01Å; N438-C442 PolarHBondContact O-N 3.21Å
439	M	83.3	Confident	88.9	Confident	24 Å²	24	59.9 Å²	59.9	12%	0.118	30%	0.302	C	S	.	.	H	α-helix	trans	-58.9	-50.3	-180	-76.1	-114.7	38.6	0	0	113.6	S410 L412 E441 C442 Y443	S410-M439 WeakPolarHBondContact CB-SD 3.48Å; S410-M439 WeakPolarHBondContact OG-CE 3.41Å; S410-M439 PolarHBondContact OG-SD 2.6Å; L412-M439 HydrophobicContact CB-CG 4.18Å; L412-M439 HydrophobicContact CB-SD 3.54Å; L412-M439 VanDerWaalsContact CB-SD 3.54Å; L412-M439 HydrophobicContact CD1-SD 4.21Å; L412-M439 HydrophobicContact CD2-SD 4.4Å; L412-M439 HydrophobicContact CG-SD 4.26Å; M439-E441 VanDerWaalsContact C-N 3.29Å; M439-E441 PolarHBondContact O-N 2.88Å; M439-C442 PolarHBondContact O-N 3.18Å; M439-Y443 HydrophobicContact CE-CD1 4.03Å; M439-Y443 HydrophobicContact CE-CD2 4.43Å; M439-Y443 HydrophobicContact CE-CE1 3.23Å; M439-Y443 HydrophobicContact CE-CE2 3.71Å; M439-Y443 WeakPolarHBondContact CE-OH 3.22Å; M439-Y443 PolarHBondContact O-N 3.22Å; M439-Y443 VanDerWaalsContact O-N 3.1Å
440	P	83.5	Confident	89.1	Confident	42 Å²	42	55.2 Å²	55.2	27%	0.273	29%	0.288	S	S	.	.	H	α-helix	trans	-50.5	-42.5	173.9	-30.7	31.1	0	0	0	114.8	N438 Y443 E444	N438-P440 VanDerWaalsContact OD1-CD 3.31Å; N438-P440 WeakPolarHBondContact OD1-CD 3.45Å; P440-Y443 CarbonylContact O-C 3.59Å; P440-Y443 PolarHBondContact O-N 3.41Å; P440-Y443 VanDerWaalsContact O-N 3.11Å; P440-E444 WeakPolarHBondContact O-CG 3.37Å; P440-E444 PolarHBondContact O-N 3.05Å
441	E	86.9	Confident	89.2	Confident	90 Å²	90	53.1 Å²	53.1	42%	0.421	28%	0.279	S	S	.	.	H	α-helix	trans	-65.2	-44.2	-177.7	-178.8	178.1	-179.7	0	0	112.1	F436 N438 M439 Y443 E444 L445	F436-E441 HydrophobicContact CD1-CG 4.15Å; F436-E441 HydrophobicContact CE1-CG 4.4Å; N438-E441 HydrophobicContact CB-CB 4.08Å; N438-E441 PolarHBondContact O-N 3.01Å; M439-E441 VanDerWaalsContact C-N 3.29Å; M439-E441 PolarHBondContact O-N 2.88Å; E441-Y443 PolarHBondContact O-N 3.2Å; E441-E444 PolarHBondContact O-N 3.23Å; E441-L445 WeakPolarHBondContact O-CG 3.38Å; E441-L445 PolarHBondContact O-N 3.3Å; E441-L445 VanDerWaalsContact O-N 3.16Å
442	C	89.9	Confident	89.3	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.014	27%	0.268	C	S	.	.	H	α-helix	trans	-60.6	-37.6	173.1	-175.6	0	0	0	0	111.5	F436 N438 M439 R446	F436-C442 HydrophobicContact CB-CB 3.9Å; F436-C442 HydrophobicContact CD2-CB 4.07Å; F436-C442 HydrophobicContact CG-CB 3.97Å; N438-C442 PolarHBondContact O-N 3.21Å; M439-C442 PolarHBondContact O-N 3.18Å; C442-R446 WeakPolarHBondContact O-CB 3.21Å; C442-R446 PolarHBondContact O-N 2.95Å; C442-R446 VanDerWaalsContact O-N 3.13Å
443	Y	89.2	Confident	89.5	Confident	41 Å²	41	52 Å²	52	16%	0.161	28%	0.275	C	S	.	.	H	α-helix	trans	-74.1	-35.7	-178.9	-72.9	3.9	0	0	0	112.2	L193 E413 M439 P440 E441 R446 D447	L193-Y443 HydrophobicContact CD1-CE2 4.3Å; L193-Y443 HydrophobicContact CD2-CD2 4.09Å; L193-Y443 HydrophobicContact CD2-CE2 4.29Å; E413-Y443 PolarHBondContact OE1-OH 2.64Å; M439-Y443 HydrophobicContact CE-CD1 4.03Å; M439-Y443 HydrophobicContact CE-CD2 4.43Å; M439-Y443 HydrophobicContact CE-CE1 3.23Å; M439-Y443 HydrophobicContact CE-CE2 3.71Å; M439-Y443 WeakPolarHBondContact CE-OH 3.22Å; M439-Y443 PolarHBondContact O-N 3.22Å; M439-Y443 VanDerWaalsContact O-N 3.1Å; P440-Y443 CarbonylContact O-C 3.59Å; P440-Y443 PolarHBondContact O-N 3.41Å; P440-Y443 VanDerWaalsContact O-N 3.11Å; E441-Y443 PolarHBondContact O-N 3.2Å; Y443-R446 VanDerWaalsContact CD1-CZ 3.47Å; Y443-R446 VanDerWaalsContact CE1-NH1 3.28Å; Y443-R446 PolarHBondContact O-N 3.02Å; Y443-D447 VanDerWaalsContact O-CB 3.28Å; Y443-D447 WeakPolarHBondContact O-CB 3.21Å; Y443-D447 PolarHBondContact O-N 3.25Å
444	E	89.8	Confident	89.5	Confident	134 Å²	134	51.4 Å²	51.4	63%	0.626	27%	0.272	S	S	*	.	H	α-helix	trans	-61.5	-44	172.2	-75.9	175.4	-171.4	0	0	111.6	P440 E441 R446 D447 A448	P440-E444 WeakPolarHBondContact O-CG 3.37Å; P440-E444 PolarHBondContact O-N 3.05Å; E441-E444 PolarHBondContact O-N 3.23Å; E444-R446 VanDerWaalsContact C-N 3.33Å; E444-R446 PolarHBondContact O-N 3.24Å; E444-D447 PolarHBondContact O-N 3.48Å; E444-A448 VanDerWaalsContact O-CB 3.26Å; E444-A448 WeakPolarHBondContact O-CB 3.49Å; E444-A448 PolarHBondContact O-N 2.88Å
445	L	92.2	Very high	89.6	Confident	44 Å²	44	48.8 Å²	48.8	23%	0.23	26%	0.259	C	S	.	.	H	α-helix	trans	-62.3	-41.3	175.9	-68.9	173.8	0	0	0	112	F436 E441 A448 F449 N450 Y455	F436-L445 HydrophobicContact CE1-CD1 3.73Å; F436-L445 HydrophobicContact CE2-CD1 4.37Å; F436-L445 HydrophobicContact CZ-CD1 3.54Å; E441-L445 WeakPolarHBondContact O-CG 3.38Å; E441-L445 PolarHBondContact O-N 3.3Å; E441-L445 VanDerWaalsContact O-N 3.16Å; L445-A448 PolarHBondContact O-N 3.39Å; L445-F449 PolarHBondContact O-N 2.86Å; L445-N450 WeakPolarHBondContact O-CB 3.41Å; L445-N450 PolarHBondContact O-N 3.16Å; L445-N450 VanDerWaalsContact O-N 3.17Å; L445-Y455 HydrophobicContact CB-CE1 4.23Å; L445-Y455 PolarHBondContact O-OH 2.99Å
446	R	92.6	Very high	89.6	Confident	13 Å²	13	45.2 Å²	45.2	5%	0.049	24%	0.241	C	C	.	.	H	α-helix	trans	-65.3	-45.5	176	-172.4	178	65.6	-156.4	-10.9	111.5	M282 C442 Y443 E444 A448 F449 Y455 V456 Y465	M282-R446 HydrophobicContact SD-CG 4.25Å; C442-R446 WeakPolarHBondContact O-CB 3.21Å; C442-R446 PolarHBondContact O-N 2.95Å; C442-R446 VanDerWaalsContact O-N 3.13Å; Y443-R446 VanDerWaalsContact CD1-CZ 3.47Å; Y443-R446 VanDerWaalsContact CE1-NH1 3.28Å; Y443-R446 PolarHBondContact O-N 3.02Å; E444-R446 VanDerWaalsContact C-N 3.33Å; E444-R446 PolarHBondContact O-N 3.24Å; R446-A448 VanDerWaalsContact C-N 3.26Å; R446-A448 PolarHBondContact O-N 3.42Å; R446-F449 PolarHBondContact O-N 3.15Å; R446-F449 VanDerWaalsContact O-N 3.09Å; R446-Y455 HydrophobicContact CB-CD1 3.66Å; R446-Y455 HydrophobicContact CB-CD2 4.39Å; R446-Y455 HydrophobicContact CB-CE1 3.89Å; R446-Y455 HydrophobicContact CB-CG 3.94Å; R446-Y455 HydrophobicContact CG-CD1 3.9Å; R446-Y455 HydrophobicContact CG-CD2 4.12Å; R446-Y455 HydrophobicContact CG-CG 3.67Å; R446-V456 PolarHBondContact NH1-O 3.44Å; R446-Y465 HydrophobicContact CG-CE2 4.24Å; R446-Y465 PolarHBondContact NE-OH 2.79Å
447	D	90.7	Very high	89.8	Confident	57 Å²	57	44 Å²	44	31%	0.305	24%	0.236	S	C	.	.	H	α-helix	trans	-66	-29.2	179.2	-71.9	-10.2	0	0	0	112.3	Y443 E444 F449 R461 Y465	Y443-D447 VanDerWaalsContact O-CB 3.28Å; Y443-D447 WeakPolarHBondContact O-CB 3.21Å; Y443-D447 PolarHBondContact O-N 3.25Å; E444-D447 PolarHBondContact O-N 3.48Å; D447-F449 VanDerWaalsContact C-N 3.28Å; D447-F449 WeakPolarHBondContact O-CD2 3.37Å; D447-F449 PolarHBondContact O-N 2.91Å; D447-R461 IonicContact OD1-CZ 2.75Å; D447-R461 IonicContact OD1-NE 3.64Å; D447-R461 IonicContact OD1-NH2 3.06Å; D447-R461 PolarHBondContact OD1-NH2 3.02Å; D447-R461 IonicContact OD2-NH2 2.84Å; D447-Y465 WeakPolarHBondContact OD1-CE1 3.39Å; D447-Y465 VanDerWaalsContact OD1-CZ 3.3Å; D447-Y465 PolarHBondContact OD1-OH 3.31Å
448	A	90.9	Very high	90.1	Very high	62 Å²	62	38.8 Å²	38.8	51%	0.512	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	2.4	174.1	0	0	0	0	0	114.2	E444 L445 R446 N450	E444-A448 VanDerWaalsContact O-CB 3.26Å; E444-A448 WeakPolarHBondContact O-CB 3.49Å; E444-A448 PolarHBondContact O-N 2.88Å; L445-A448 PolarHBondContact O-N 3.39Å; R446-A448 VanDerWaalsContact C-N 3.26Å; R446-A448 PolarHBondContact O-N 3.42Å; A448-N450 VanDerWaalsContact C-N 3.3Å; A448-N450 PolarHBondContact O-N 3.31Å
449	F	91.7	Very high	90.6	Very high	7 Å²	7	37.9 Å²	37.9	3%	0.031	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	42.2	-177.4	-68.8	-95.9	0	0	0	113.3	M282 L445 R446 D447 L451 Y465 Q468 Q469 F472 V476 F477 L540	M282-F449 HydrophobicContact CE-CD1 3.88Å; M282-F449 HydrophobicContact CE-CE1 3.79Å; L445-F449 PolarHBondContact O-N 2.86Å; R446-F449 PolarHBondContact O-N 3.15Å; R446-F449 VanDerWaalsContact O-N 3.09Å; D447-F449 VanDerWaalsContact C-N 3.28Å; D447-F449 WeakPolarHBondContact O-CD2 3.37Å; D447-F449 PolarHBondContact O-N 2.91Å; F449-L451 PolarHBondContact O-N 3.17Å; F449-Y465 HydrophobicContact CE1-CD1 4.5Å; F449-Y465 HydrophobicContact CE2-CD1 4.08Å; F449-Y465 AromaticContact CZ-CD1 3.72Å; F449-Y465 HydrophobicContact CZ-CD1 3.72Å; F449-Y465 HydrophobicContact CZ-CG 4.21Å; F449-Q468 HydrophobicContact CE2-CG 4.39Å; F449-Q469 HydrophobicContact CE1-CG 3.62Å; F449-Q469 HydrophobicContact CZ-CG 3.97Å; F449-F472 HydrophobicContact CD1-CE2 4.19Å; F449-F472 HydrophobicContact CD2-CE2 4.42Å; F449-F472 HydrophobicContact CD2-CZ 4.25Å; F449-F472 HydrophobicContact CE1-CE2 4.14Å; F449-F472 HydrophobicContact CE2-CE2 4.39Å; F449-F472 HydrophobicContact CE2-CZ 4.09Å; F449-F472 HydrophobicContact CG-CE2 4.31Å; F449-F472 HydrophobicContact CZ-CE2 4.23Å; F449-F472 HydrophobicContact CZ-CZ 4.25Å; F449-V476 HydrophobicContact CB-CG2 4.25Å; F449-V476 HydrophobicContact CD1-CG2 3.49Å; F449-V476 VanDerWaalsContact CD1-CG2 3.49Å; F449-V476 HydrophobicContact CE1-CG2 4.15Å; F449-V476 HydrophobicContact CG-CG2 4.16Å; F449-F477 HydrophobicContact CB-CE2 4.15Å; F449-F477 AromaticContact CD1-CD2 3.71Å; F449-F477 HydrophobicContact CD1-CD2 3.71Å; F449-F477 HydrophobicContact CD1-CE2 4.09Å; F449-F477 HydrophobicContact CE1-CD2 4.48Å; F449-L540 HydrophobicContact CD2-CD1 3.71Å; F449-L540 HydrophobicContact CE2-CD1 4.31Å
450	N	91.7	Very high	91	Very high	44 Å²	44	37.3 Å²	37.3	24%	0.235	20%	0.204	C	C	.	.			trans	-68.1	118.4	-177.8	-175.6	-31.9	0	0	0	111.7	L445 A448 S452 Y455	L445-N450 WeakPolarHBondContact O-CB 3.41Å; L445-N450 PolarHBondContact O-N 3.16Å; L445-N450 VanDerWaalsContact O-N 3.17Å; A448-N450 VanDerWaalsContact C-N 3.3Å; A448-N450 PolarHBondContact O-N 3.31Å; N450-S452 PolarHBondContact O-N 3.26Å; N450-S452 WeakPolarHBondContact OD1-CB 3.25Å; N450-S452 PolarHBondContact OD1-N 3.06Å; N450-S452 PolarHBondContact OD1-OG 3.01Å; N450-Y455 WeakPolarHBondContact CB-OH 3.2Å; N450-Y455 WeakPolarHBondContact O-CE2 3.13Å; N450-Y455 PolarHBondContact O-OH 3.38Å
451	L	88.7	Confident	91.4	Very high	75 Å²	75	36 Å²	36	39%	0.393	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	6.5	-177.2	-57.8	175.4	0	0	0	114.6	Q284 F449 Y453 V476 F477	Q284-L451 HydrophobicContact CG-CD2 4.32Å; Q284-L451 PolarHBondContact NE2-O 2.86Å; Q284-L451 PolarHBondContact OE1-O 3.08Å; F449-L451 PolarHBondContact O-N 3.17Å; L451-Y453 VanDerWaalsContact C-N 3.3Å; L451-V476 HydrophobicContact CD2-CB 4.1Å; L451-V476 HydrophobicContact CD2-CG1 4.32Å; L451-F477 HydrophobicContact CD2-CE2 3.76Å; L451-F477 HydrophobicContact CD2-CZ 4.09Å
452	S	89.1	Confident	91.7	Very high	71 Å²	71	33.6 Å²	33.6	50%	0.497	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-20.9	175.9	-48.4	0	0	0	0	112.2	N450	N450-S452 PolarHBondContact O-N 3.26Å; N450-S452 WeakPolarHBondContact OD1-CB 3.25Å; N450-S452 PolarHBondContact OD1-N 3.06Å; N450-S452 PolarHBondContact OD1-OG 3.01Å
453	Y	91.7	Very high	91.8	Very high	54 Å²	54	39.9 Å²	39.9	21%	0.212	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	154.2	-174.2	-53.4	-77.7	0	0	0	111.9	Q284 R406 A408 E434 L451 Y455	Q284-Y453 VanDerWaalsContact NE2-C 3.31Å; Q284-Y453 PolarHBondContact NE2-O 3.4Å; R406-Y453 HydrophobicContact CB-CD1 4.01Å; R406-Y453 HydrophobicContact CB-CE1 4.38Å; R406-Y453 CarbonylContact O-C 3.58Å; R406-Y453 VanDerWaalsContact O-CA 3.31Å; R406-Y453 WeakPolarHBondContact O-CA 3.18Å; A408-Y453 HydrophobicContact CB-CD1 4.29Å; A408-Y453 HydrophobicContact CB-CD2 4.42Å; A408-Y453 HydrophobicContact CB-CG 3.9Å; E434-Y453 HydrophobicContact CB-CD1 4.08Å; E434-Y453 HydrophobicContact CB-CE1 3.79Å; E434-Y453 HydrophobicContact CG-CD1 4.47Å; E434-Y453 HydrophobicContact CG-CE1 3.75Å; L451-Y453 VanDerWaalsContact C-N 3.3Å; Y453-Y455 WeakPolarHBondContact O-CE2 3.37Å
454	N	92.9	Very high	91.9	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	155.4	156.2	-66.7	-51.5	0	0	0	108.7	V283 Q284 R405 R406 I407 A408	V283-N454 WeakPolarHBondContact CA-OD1 3.4Å; Q284-N454 PolarHBondContact N-OD1 2.96Å; R405-N454 PolarHBondContact O-ND2 3.38Å; R406-N454 PolarHBondContact O-N 3.33Å; I407-N454 CarbonylContact C-O 3.48Å; I407-N454 WeakPolarHBondContact CA-O 3.35Å; I407-N454 HydrophobicContact CG1-CB 4.41Å; A408-N454 PolarHBondContact N-O 3.4Å
455	Y	94.4	Very high	92.1	Very high	1 Å²	1	31.8 Å²	31.8	0%	0.004	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	163.5	-176.2	-65.4	-78.2	0	0	0	112	L281 M282 A408 L445 R446 N450 Y453 F477	L281-Y455 CarbonylContact C-O 3.45Å; L281-Y455 WeakPolarHBondContact CA-O 3.49Å; M282-Y455 PolarHBondContact N-O 2.85Å; M282-Y455 PolarHBondContact O-N 3.17Å; A408-Y455 HydrophobicContact CB-CD1 3.8Å; A408-Y455 HydrophobicContact CB-CE1 3.59Å; L445-Y455 HydrophobicContact CB-CE1 4.23Å; L445-Y455 PolarHBondContact O-OH 2.99Å; R446-Y455 HydrophobicContact CB-CD1 3.66Å; R446-Y455 HydrophobicContact CB-CD2 4.39Å; R446-Y455 HydrophobicContact CB-CE1 3.89Å; R446-Y455 HydrophobicContact CB-CG 3.94Å; R446-Y455 HydrophobicContact CG-CD1 3.9Å; R446-Y455 HydrophobicContact CG-CD2 4.12Å; R446-Y455 HydrophobicContact CG-CG 3.67Å; N450-Y455 WeakPolarHBondContact CB-OH 3.2Å; N450-Y455 WeakPolarHBondContact O-CE2 3.13Å; N450-Y455 PolarHBondContact O-OH 3.38Å; Y453-Y455 WeakPolarHBondContact O-CE2 3.37Å; Y455-F477 AromaticContact CD2-CE1 3.85Å; Y455-F477 HydrophobicContact CD2-CE1 3.85Å; Y455-F477 HydrophobicContact CD2-CZ 4.02Å; Y455-F477 HydrophobicContact CE2-CE1 4.18Å; Y455-F477 AromaticContact CE2-CZ 3.92Å; Y455-F477 HydrophobicContact CE2-CZ 3.92Å
456	V	93.1	Very high	92.2	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.012	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	139.6	165.6	-64.7	0	0	0	0	109.8	Y279 L281 I407 M409 R446 F485	Y279-V456 HydrophobicContact CE2-CB 4.01Å; Y279-V456 HydrophobicContact CE2-CG2 4.27Å; Y279-V456 VanDerWaalsContact OH-CG2 3.29Å; Y279-V456 WeakPolarHBondContact OH-CG2 3.43Å; L281-V456 HydrophobicContact CD2-CG1 3.78Å; I407-V456 HydrophobicContact CG2-CG1 4.07Å; M409-V456 HydrophobicContact CG-CB 4.37Å; M409-V456 HydrophobicContact CG-CG1 3.61Å; M409-V456 HydrophobicContact CG-CG2 3.78Å; M409-V456 HydrophobicContact SD-CG1 3.6Å; M409-V456 VanDerWaalsContact SD-CG1 3.6Å; M409-V456 HydrophobicContact SD-CG2 4.42Å; R446-V456 PolarHBondContact NH1-O 3.44Å; V456-F485 HydrophobicContact CG1-CE2 3.69Å
457	V	94.4	Very high	92.2	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	148.9	179.8	76.8	0	0	0	0	110.8	C280 M282 R461 W462 Y465 F479	C280-V457 PolarHBondContact N-O 2.93Å; C280-V457 PolarHBondContact O-N 3.32Å; C280-V457 VanDerWaalsContact O-O 3.09Å; M282-V457 HydrophobicContact CB-CB 4.27Å; M282-V457 HydrophobicContact CB-CG1 3.81Å; V457-R461 HydrophobicContact CG2-CB 3.69Å; V457-R461 HydrophobicContact CG2-CG 3.72Å; V457-W462 HydrophobicContact CG1-CB 4.07Å; V457-W462 HydrophobicContact CG1-CE3 4.35Å; V457-W462 HydrophobicContact CG2-CB 4.45Å; V457-Y465 HydrophobicContact CG2-CD2 4.05Å; V457-Y465 HydrophobicContact CG2-CE2 3.73Å; V457-F479 HydrophobicContact CG1-CD2 3.7Å; V457-F479 HydrophobicContact CG1-CE2 3.63Å
458	T	93.4	Very high	92.2	Very high	18 Å²	18	32.6 Å²	32.6	11%	0.11	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	151.9	167.8	59.7	0	0	0	0	110.7	T277 S278 Y279 D460 R461 W462 I489	T277-T458 HydrophobicContact CG2-CG2 4.47Å; S278-T458 CarbonylContact O-C 3.43Å; S278-T458 WeakPolarHBondContact O-CA 3.41Å; Y279-T458 HydrophobicContact CD2-CG2 3.81Å; Y279-T458 HydrophobicContact CE2-CG2 4.47Å; T458-D460 WeakPolarHBondContact CB-OD1 3.44Å; T458-D460 PolarHBondContact O-N 3.27Å; T458-D460 VanDerWaalsContact OG1-CG 3.26Å; T458-D460 PolarHBondContact OG1-OD1 3.04Å; T458-D460 PolarHBondContact OG1-OD2 3.4Å; T458-R461 PolarHBondContact O-N 3.41Å; T458-R461 VanDerWaalsContact O-N 3.08Å; T458-W462 PolarHBondContact O-N 3.33Å; T458-I489 HydrophobicContact CG2-CD1 4.13Å
459	G	92.6	Very high	92.3	Very high	13 Å²	13	30.2 Å²	30.2	13%	0.134	15%	0.153	C	C	.	.	H	α-helix	trans	-57.2	-34.2	-179.7	0	0	0	0	0	114.1	T277 S278 R463	T277-G459 WeakPolarHBondContact OG1-CA 3.42Å; T277-G459 PolarHBondContact OG1-N 3.21Å; S278-G459 PolarHBondContact O-N 3.33Å; G459-R463 PolarHBondContact O-N 3.28Å
460	D	90.8	Very high	92.3	Very high	12 Å²	12	34.7 Å²	34.7	6%	0.064	18%	0.181	C	C	.	.	H	α-helix	trans	-64.6	-45.1	174.1	56.2	-63.6	0	0	0	111.9	R196 Y213 I275 T277 T458 R463	R196-D460 IonicContact CZ-OD2 3.51Å; R196-D460 IonicContact NE-OD2 3.42Å; R196-D460 IonicContact NH2-OD2 3.2Å; R196-D460 PolarHBondContact NH2-OD2 3.47Å; R196-D460 VanDerWaalsContact NH2-OD2 3.12Å; Y213-D460 PolarHBondContact OH-OD2 3.12Å; Y213-D460 VanDerWaalsContact OH-OD2 3.11Å; I275-D460 HydrophobicContact CG2-CB 4.5Å; T277-D460 WeakPolarHBondContact CG2-OD1 3.38Å; T277-D460 PolarHBondContact OG1-N 2.94Å; T277-D460 PolarHBondContact OG1-OD1 3.06Å; T458-D460 WeakPolarHBondContact CB-OD1 3.44Å; T458-D460 PolarHBondContact O-N 3.27Å; T458-D460 VanDerWaalsContact OG1-CG 3.26Å; T458-D460 PolarHBondContact OG1-OD1 3.04Å; T458-D460 PolarHBondContact OG1-OD2 3.4Å; D460-R463 PolarHBondContact O-N 3.44Å
461	R	92.1	Very high	92.2	Very high	14 Å²	14	36.3 Å²	36.3	5%	0.053	19%	0.189	C	C	.	.	H	α-helix	trans	-71	-34.8	178	-177.8	68	-176.3	108.2	-8.3	111.7	S194 D447 V457 T458 R463 S464 Y465	S194-R461 PolarHBondContact O-NE 2.89Å; D447-R461 IonicContact OD1-CZ 2.75Å; D447-R461 IonicContact OD1-NE 3.64Å; D447-R461 IonicContact OD1-NH2 3.06Å; D447-R461 PolarHBondContact OD1-NH2 3.02Å; D447-R461 IonicContact OD2-NH2 2.84Å; V457-R461 HydrophobicContact CG2-CB 3.69Å; V457-R461 HydrophobicContact CG2-CG 3.72Å; T458-R461 PolarHBondContact O-N 3.41Å; T458-R461 VanDerWaalsContact O-N 3.08Å; R461-R463 VanDerWaalsContact C-N 3.27Å; R461-R463 PolarHBondContact O-N 2.97Å; R461-S464 PolarHBondContact O-N 3.25Å; R461-Y465 HydrophobicContact CG-CD2 4.37Å; R461-Y465 HydrophobicContact CG-CE2 3.68Å; R461-Y465 PolarHBondContact NE-OH 2.98Å; R461-Y465 PolarHBondContact NH2-OH 2.91Å
462	W	94.4	Very high	92.3	Very high	40 Å²	40	33.4 Å²	33.4	15%	0.152	17%	0.174	C	C	.	.	H	α-helix	trans	-58	-36.9	176.4	173.7	-107.9	0	0	0	112.7	M282 V457 T458 S464 Y465 A466 Q469 F477 F479	M282-W462 HydrophobicContact CE-CZ3 4.29Å; M282-W462 HydrophobicContact CG-CE3 4.29Å; M282-W462 HydrophobicContact CG-CZ3 3.82Å; M282-W462 HydrophobicContact SD-CE3 4.21Å; M282-W462 HydrophobicContact SD-CZ3 3.98Å; V457-W462 HydrophobicContact CG1-CB 4.07Å; V457-W462 HydrophobicContact CG1-CE3 4.35Å; V457-W462 HydrophobicContact CG2-CB 4.45Å; T458-W462 PolarHBondContact O-N 3.33Å; W462-S464 VanDerWaalsContact C-N 3.27Å; W462-S464 PolarHBondContact O-N 3.23Å; W462-Y465 HydrophobicContact CE3-CD2 4.32Å; W462-Y465 PolarHBondContact O-N 3.39Å; W462-A466 HydrophobicContact CZ2-CB 4.3Å; W462-A466 WeakPolarHBondContact O-CB 3.18Å; W462-A466 PolarHBondContact O-N 3.09Å; W462-Q469 VanDerWaalsContact CH2-NE2 3.28Å; W462-F477 HydrophobicContact CH2-CB 4.42Å; W462-F477 WeakPolarHBondContact CH2-O 3.48Å; W462-F477 HydrophobicContact CZ3-CB 4.36Å; W462-F479 HydrophobicContact CB-CD2 4.07Å; W462-F479 HydrophobicContact CB-CE2 4.3Å; W462-F479 AromaticContact CD1-CG 3.89Å; W462-F479 HydrophobicContact CD2-CB 3.6Å; W462-F479 HydrophobicContact CD2-CD2 4.07Å; W462-F479 HydrophobicContact CD2-CG 4.08Å; W462-F479 HydrophobicContact CE3-CB 4.21Å; W462-F479 HydrophobicContact CE3-CD2 4.44Å; W462-F479 HydrophobicContact CG-CB 3.89Å; W462-F479 AromaticContact CG-CD2 3.85Å; W462-F479 HydrophobicContact CG-CD2 3.85Å; W462-F479 AromaticContact CG-CG 3.88Å; W462-F479 HydrophobicContact CG-CG 3.88Å; W462-F479 HydrophobicContact CH2-CB 4.31Å; W462-F479 HydrophobicContact CZ2-CB 3.76Å
463	R	92.1	Very high	92.2	Very high	135 Å²	135	36.2 Å²	36.2	51%	0.509	18%	0.177	S	C	.	.	H	α-helix	trans	-52.7	-46.6	179.1	-69.9	177.2	-175.5	-173.3	1.1	111.7	G459 D460 R461 Y465 A466 E467	G459-R463 PolarHBondContact O-N 3.28Å; D460-R463 PolarHBondContact O-N 3.44Å; R461-R463 VanDerWaalsContact C-N 3.27Å; R461-R463 PolarHBondContact O-N 2.97Å; R463-Y465 PolarHBondContact O-N 3.34Å; R463-A466 PolarHBondContact O-N 2.95Å; R463-E467 WeakPolarHBondContact O-CG 3.38Å; R463-E467 PolarHBondContact O-N 3.26Å
464	S	91.4	Very high	91.9	Very high	4 Å²	4	38.6 Å²	38.6	3%	0.028	19%	0.19	C	C	.	.	H	α-helix	trans	-66.5	-36.1	179	-49.8	0	0	0	0	112.9	R461 W462 Q468	R461-S464 PolarHBondContact O-N 3.25Å; W462-S464 VanDerWaalsContact C-N 3.27Å; W462-S464 PolarHBondContact O-N 3.23Å; S464-Q468 WeakPolarHBondContact O-CB 3.5Å; S464-Q468 PolarHBondContact O-N 3.4Å
465	Y	93.5	Very high	91.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-69.3	-38.9	174.2	-63.7	-49.7	0	0	0	111.9	M282 R446 D447 F449 V457 R461 W462 R463 Q468 Q469	M282-Y465 HydrophobicContact CE-CD2 4.48Å; M282-Y465 HydrophobicContact SD-CD2 3.92Å; M282-Y465 HydrophobicContact SD-CE2 4.12Å; R446-Y465 HydrophobicContact CG-CE2 4.24Å; R446-Y465 PolarHBondContact NE-OH 2.79Å; D447-Y465 WeakPolarHBondContact OD1-CE1 3.39Å; D447-Y465 VanDerWaalsContact OD1-CZ 3.3Å; D447-Y465 PolarHBondContact OD1-OH 3.31Å; F449-Y465 HydrophobicContact CE1-CD1 4.5Å; F449-Y465 HydrophobicContact CE2-CD1 4.08Å; F449-Y465 AromaticContact CZ-CD1 3.72Å; F449-Y465 HydrophobicContact CZ-CD1 3.72Å; F449-Y465 HydrophobicContact CZ-CG 4.21Å; V457-Y465 HydrophobicContact CG2-CD2 4.05Å; V457-Y465 HydrophobicContact CG2-CE2 3.73Å; R461-Y465 HydrophobicContact CG-CD2 4.37Å; R461-Y465 HydrophobicContact CG-CE2 3.68Å; R461-Y465 PolarHBondContact NE-OH 2.98Å; R461-Y465 PolarHBondContact NH2-OH 2.91Å; W462-Y465 HydrophobicContact CE3-CD2 4.32Å; W462-Y465 PolarHBondContact O-N 3.39Å; R463-Y465 PolarHBondContact O-N 3.34Å; Y465-Q468 PolarHBondContact O-N 3.44Å; Y465-Q469 WeakPolarHBondContact O-CB 3.46Å; Y465-Q469 VanDerWaalsContact O-CG 3.27Å; Y465-Q469 WeakPolarHBondContact O-CG 3.43Å; Y465-Q469 PolarHBondContact O-N 2.89Å
466	A	93.6	Very high	91.7	Very high	31 Å²	31	43 Å²	43	26%	0.256	22%	0.219	S	C	.	.	H	α-helix	trans	-61.1	-46.7	175.5	0	0	0	0	0	110.8	W462 R463 Q468 Q469 T470	W462-A466 HydrophobicContact CZ2-CB 4.3Å; W462-A466 WeakPolarHBondContact O-CB 3.18Å; W462-A466 PolarHBondContact O-N 3.09Å; R463-A466 PolarHBondContact O-N 2.95Å; A466-Q468 PolarHBondContact O-N 3.24Å; A466-Q469 PolarHBondContact O-N 3.2Å; A466-T470 WeakPolarHBondContact O-CG2 3.37Å; A466-T470 PolarHBondContact O-N 3.17Å
467	E	92.3	Very high	91.7	Very high	95 Å²	95	43 Å²	43	44%	0.444	22%	0.219	S	C	.	.	H	α-helix	trans	-59.1	-45	174.2	-69.6	-55.6	143.2	0	0	111.7	R463 Q469 T470 F526	R463-E467 WeakPolarHBondContact O-CG 3.38Å; R463-E467 PolarHBondContact O-N 3.26Å; E467-Q469 VanDerWaalsContact C-N 3.34Å; E467-Q469 PolarHBondContact O-N 3.34Å; E467-T470 WeakPolarHBondContact O-CB 3.46Å; E467-T470 PolarHBondContact O-N 2.98Å; E467-T470 PolarHBondContact O-OG1 3.43Å; E467-F526 HydrophobicContact CB-CB 4.37Å; E467-F526 HydrophobicContact CB-CD1 4.16Å; E467-F526 HydrophobicContact CB-CG 4.09Å
468	Q	91.8	Very high	91.7	Very high	5 Å²	5	45.5 Å²	45.5	2%	0.023	23%	0.228	C	C	.	.	H	α-helix	trans	-61.4	-41.4	176.9	-168.6	175.4	-6.7	0	0	112.6	F449 S464 Y465 A466 T470 L471 F472 F526 T535	F449-Q468 HydrophobicContact CE2-CG 4.39Å; S464-Q468 WeakPolarHBondContact O-CB 3.5Å; S464-Q468 PolarHBondContact O-N 3.4Å; Y465-Q468 PolarHBondContact O-N 3.44Å; A466-Q468 PolarHBondContact O-N 3.24Å; Q468-T470 PolarHBondContact O-N 2.9Å; Q468-L471 WeakPolarHBondContact O-CB 3.38Å; Q468-L471 PolarHBondContact O-N 3.49Å; Q468-F472 HydrophobicContact CG-CE1 4.12Å; Q468-F472 HydrophobicContact CG-CZ 4.09Å; Q468-F526 HydrophobicContact CB-CD2 4.31Å; Q468-F526 HydrophobicContact CB-CE2 3.54Å; Q468-F526 HydrophobicContact CB-CZ 4.07Å; Q468-F526 HydrophobicContact CG-CE2 3.86Å; Q468-F526 HydrophobicContact CG-CZ 4.26Å; Q468-T535 HydrophobicContact CG-CG2 4.21Å; Q468-T535 VanDerWaalsContact NE2-CG2 3.32Å
469	Q	92.7	Very high	91.7	Very high	13 Å²	13	46.1 Å²	46.1	6%	0.061	23%	0.229	C	C	.	.	H	α-helix	trans	-68.6	-16.4	179.1	-72.4	-170.3	101.9	0	0	113.5	F449 W462 Y465 A466 E467 L471 F472 V476 F477	F449-Q469 HydrophobicContact CE1-CG 3.62Å; F449-Q469 HydrophobicContact CZ-CG 3.97Å; W462-Q469 VanDerWaalsContact CH2-NE2 3.28Å; Y465-Q469 WeakPolarHBondContact O-CB 3.46Å; Y465-Q469 VanDerWaalsContact O-CG 3.27Å; Y465-Q469 WeakPolarHBondContact O-CG 3.43Å; Y465-Q469 PolarHBondContact O-N 2.89Å; A466-Q469 PolarHBondContact O-N 3.2Å; E467-Q469 VanDerWaalsContact C-N 3.34Å; E467-Q469 PolarHBondContact O-N 3.34Å; Q469-L471 PolarHBondContact O-N 3.12Å; Q469-F472 HydrophobicContact CB-CD2 4.07Å; Q469-F472 HydrophobicContact CB-CE2 4.34Å; Q469-F472 HydrophobicContact CG-CD2 3.7Å; Q469-F472 HydrophobicContact CG-CE2 3.59Å; Q469-F472 HydrophobicContact CG-CZ 4.37Å; Q469-F472 WeakPolarHBondContact O-CB 3.46Å; Q469-F472 PolarHBondContact O-N 2.93Å; Q469-V476 VanDerWaalsContact OE1-CG2 3.29Å; Q469-F477 PolarHBondContact NE2-O 3.15Å; Q469-F477 PolarHBondContact OE1-O 2.93Å
470	T	91.4	Very high	91.8	Very high	100 Å²	100	45.8 Å²	45.8	61%	0.613	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-22.1	172.2	69.1	0	0	0	0	112.8	A466 E467 Q468 F472	A466-T470 WeakPolarHBondContact O-CG2 3.37Å; A466-T470 PolarHBondContact O-N 3.17Å; E467-T470 WeakPolarHBondContact O-CB 3.46Å; E467-T470 PolarHBondContact O-N 2.98Å; E467-T470 PolarHBondContact O-OG1 3.43Å; Q468-T470 PolarHBondContact O-N 2.9Å; T470-F472 VanDerWaalsContact C-N 3.34Å
471	L	89.6	Confident	91.7	Very high	78 Å²	78	54.3 Å²	54.3	41%	0.408	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-13	175.8	-57.6	172.2	0	0	0	112.5	Q468 Q469 F526 L537	Q468-L471 WeakPolarHBondContact O-CB 3.38Å; Q468-L471 PolarHBondContact O-N 3.49Å; Q469-L471 PolarHBondContact O-N 3.12Å; L471-F526 HydrophobicContact CD1-CZ 4.19Å; L471-L537 HydrophobicContact CD1-CB 4.22Å; L471-L537 HydrophobicContact CD1-CD2 3.49Å; L471-L537 VanDerWaalsContact CD1-CD2 3.49Å; L471-L537 HydrophobicContact CD1-CG 4.48Å
472	F	90.3	Very high	91.6	Very high	15 Å²	15	59.8 Å²	59.8	7%	0.066	29%	0.287	C	S	.	.	S	Bend	trans	-82.4	148.5	-176.4	-61.4	-2.4	0	0	0	109.9	F449 Q468 Q469 T470 E474 V476 K538 D539 L540	F449-F472 HydrophobicContact CD1-CE2 4.19Å; F449-F472 HydrophobicContact CD2-CE2 4.42Å; F449-F472 HydrophobicContact CD2-CZ 4.25Å; F449-F472 HydrophobicContact CE1-CE2 4.14Å; F449-F472 HydrophobicContact CE2-CE2 4.39Å; F449-F472 HydrophobicContact CE2-CZ 4.09Å; F449-F472 HydrophobicContact CG-CE2 4.31Å; F449-F472 HydrophobicContact CZ-CE2 4.23Å; F449-F472 HydrophobicContact CZ-CZ 4.25Å; Q468-F472 HydrophobicContact CG-CE1 4.12Å; Q468-F472 HydrophobicContact CG-CZ 4.09Å; Q469-F472 HydrophobicContact CB-CD2 4.07Å; Q469-F472 HydrophobicContact CB-CE2 4.34Å; Q469-F472 HydrophobicContact CG-CD2 3.7Å; Q469-F472 HydrophobicContact CG-CE2 3.59Å; Q469-F472 HydrophobicContact CG-CZ 4.37Å; Q469-F472 WeakPolarHBondContact O-CB 3.46Å; Q469-F472 PolarHBondContact O-N 2.93Å; T470-F472 VanDerWaalsContact C-N 3.34Å; F472-E474 VanDerWaalsContact C-N 3.28Å; F472-E474 WeakPolarHBondContact CB-O 3.47Å; F472-E474 PolarHBondContact O-N 3.4Å; F472-V476 HydrophobicContact CD2-CG2 3.9Å; F472-V476 HydrophobicContact CE2-CG2 3.73Å; F472-K538 WeakPolarHBondContact CE1-O 3.42Å; F472-D539 WeakPolarHBondContact CA-OD1 3.32Å; F472-D539 VanDerWaalsContact CB-OD1 3.31Å; F472-D539 WeakPolarHBondContact CB-OD1 3.49Å; F472-D539 HydrophobicContact CD1-CB 4.48Å; F472-D539 WeakPolarHBondContact CD1-OD1 3.23Å; F472-D539 WeakPolarHBondContact CG-OD1 3.29Å; F472-L540 HydrophobicContact CE1-CB 4.07Å; F472-L540 HydrophobicContact CE1-CG 4.28Å; F472-L540 HydrophobicContact CE2-CB 4.13Å; F472-L540 HydrophobicContact CZ-CB 3.63Å; F472-L540 HydrophobicContact CZ-CD1 4.23Å; F472-L540 HydrophobicContact CZ-CG 4.05Å
473	K	87.3	Confident	91.5	Very high	130 Å²	130	58 Å²	58	57%	0.565	28%	0.281	S	S	*	.	S	Bend	trans	-60.3	-42.4	174.2	-174.1	-179.3	178.7	-175.5	0	111.8	D539	K473-D539 WeakPolarHBondContact CB-OD2 3.17Å; K473-D539 PolarHBondContact N-OD2 2.92Å
474	E	85.9	Confident	91.6	Very high	103 Å²	103	52.1 Å²	52.1	48%	0.481	26%	0.26	S	S	.	.	S	Bend	trans	-136.9	140.3	172.8	-66.3	-173.6	149.8	0	0	109	K288 F472	K288-E474 IonicContact NZ-OE1 3.19Å; K288-E474 PolarHBondContact NZ-OE1 2.9Å; F472-E474 VanDerWaalsContact C-N 3.28Å; F472-E474 WeakPolarHBondContact CB-O 3.47Å; F472-E474 PolarHBondContact O-N 3.4Å
475	P	90.9	Very high	91.6	Very high	76 Å²	76	52.2 Å²	52.2	49%	0.494	26%	0.26	S	S	.	.			trans	-64.9	138.8	175.9	28.1	-33.9	0	0	0	110.3	V285	V285-P475 HydrophobicContact CG2-CB 4.47Å; V285-P475 WeakPolarHBondContact CG2-O 3.45Å
476	V	91.9	Very high	91.5	Very high	19 Å²	19	53.6 Å²	53.6	12%	0.115	27%	0.27	C	S	.	.	S	Bend	trans	-96.6	-28.2	-178.9	-80.4	0	0	0	0	112.7	Q284 V285 F449 L451 Q469 F472	Q284-V476 CarbonylContact C-O 3.47Å; Q284-V476 WeakPolarHBondContact CA-O 3.29Å; V285-V476 PolarHBondContact N-O 2.82Å; F449-V476 HydrophobicContact CB-CG2 4.25Å; F449-V476 HydrophobicContact CD1-CG2 3.49Å; F449-V476 VanDerWaalsContact CD1-CG2 3.49Å; F449-V476 HydrophobicContact CE1-CG2 4.15Å; F449-V476 HydrophobicContact CG-CG2 4.16Å; L451-V476 HydrophobicContact CD2-CB 4.1Å; L451-V476 HydrophobicContact CD2-CG1 4.32Å; Q469-V476 VanDerWaalsContact OE1-CG2 3.29Å; F472-V476 HydrophobicContact CD2-CG2 3.9Å; F472-V476 HydrophobicContact CE2-CG2 3.73Å
477	F	93.9	Very high	91.4	Very high	3 Å²	3	61 Å²	61	1%	0.013	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	154.3	176.5	-69.6	-99.8	0	0	0	110.6	M282 V283 Q284 F449 L451 Y455 W462 Q469	M282-F477 HydrophobicContact CE-CB 3.64Å; M282-F477 HydrophobicContact CE-CD1 3.92Å; M282-F477 HydrophobicContact CE-CD2 3.66Å; M282-F477 HydrophobicContact CE-CE1 4.47Å; M282-F477 HydrophobicContact CE-CE2 4.23Å; M282-F477 HydrophobicContact CE-CG 3.47Å; M282-F477 VanDerWaalsContact CE-CG 3.47Å; M282-F477 HydrophobicContact CG-CB 3.8Å; M282-F477 HydrophobicContact CG-CD1 3.68Å; M282-F477 HydrophobicContact CG-CG 3.94Å; V283-F477 VanDerWaalsContact C-CD1 3.46Å; V283-F477 CarbonylContact O-C 3.49Å; V283-F477 WeakPolarHBondContact O-CA 3.33Å; V283-F477 WeakPolarHBondContact O-CB 3.35Å; Q284-F477 HydrophobicContact CB-CD1 4.42Å; Q284-F477 HydrophobicContact CB-CE1 4.33Å; Q284-F477 HydrophobicContact CG-CD1 3.84Å; Q284-F477 HydrophobicContact CG-CE1 3.3Å; Q284-F477 HydrophobicContact CG-CE2 4.47Å; Q284-F477 HydrophobicContact CG-CZ 3.68Å; F449-F477 HydrophobicContact CB-CE2 4.15Å; F449-F477 AromaticContact CD1-CD2 3.71Å; F449-F477 HydrophobicContact CD1-CD2 3.71Å; F449-F477 HydrophobicContact CD1-CE2 4.09Å; F449-F477 HydrophobicContact CE1-CD2 4.48Å; L451-F477 HydrophobicContact CD2-CE2 3.76Å; L451-F477 HydrophobicContact CD2-CZ 4.09Å; Y455-F477 AromaticContact CD2-CE1 3.85Å; Y455-F477 HydrophobicContact CD2-CE1 3.85Å; Y455-F477 HydrophobicContact CD2-CZ 4.02Å; Y455-F477 HydrophobicContact CE2-CE1 4.18Å; Y455-F477 AromaticContact CE2-CZ 3.92Å; Y455-F477 HydrophobicContact CE2-CZ 3.92Å; W462-F477 HydrophobicContact CH2-CB 4.42Å; W462-F477 WeakPolarHBondContact CH2-O 3.48Å; W462-F477 HydrophobicContact CZ3-CB 4.36Å; Q469-F477 PolarHBondContact NE2-O 3.15Å; Q469-F477 PolarHBondContact OE1-O 2.93Å
478	Y	93.3	Very high	91.3	Very high	51 Å²	51	62.1 Å²	62.1	20%	0.2	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	158.2	169	72.1	-83.1	0	0	0	110.4	V283 Q284 V285 A480	V283-Y478 HydrophobicContact CB-CD1 4.25Å; V283-Y478 HydrophobicContact CB-CE1 3.65Å; V283-Y478 HydrophobicContact CB-CE2 4.34Å; V283-Y478 HydrophobicContact CG1-CE1 3.65Å; V283-Y478 PolarHBondContact N-O 3.37Å; V283-Y478 VanDerWaalsContact O-CD1 3.27Å; V283-Y478 WeakPolarHBondContact O-CD1 3.4Å; V283-Y478 PolarHBondContact O-N 3.37Å; Q284-Y478 WeakPolarHBondContact O-CE1 3.49Å; V285-Y478 HydrophobicContact CG2-CD1 4.14Å; Y478-A480 HydrophobicContact CD2-CB 4.39Å; Y478-A480 HydrophobicContact CE2-CB 3.83Å
479	F	94.8	Very high	91.2	Very high	31 Å²	31	62 Å²	62	14%	0.136	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	108.6	176.3	-173.7	-115.1	0	0	0	110.2	S278 C280 V457 W462 R481	S278-F479 WeakPolarHBondContact OG-CZ 3.4Å; C280-F479 HydrophobicContact CB-CD2 4.33Å; C280-F479 HydrophobicContact CB-CE1 4.35Å; C280-F479 HydrophobicContact CB-CE2 3.57Å; C280-F479 HydrophobicContact CB-CZ 3.59Å; C280-F479 WeakPolarHBondContact SG-CZ 3.34Å; V457-F479 HydrophobicContact CG1-CD2 3.7Å; V457-F479 HydrophobicContact CG1-CE2 3.63Å; W462-F479 HydrophobicContact CB-CD2 4.07Å; W462-F479 HydrophobicContact CB-CE2 4.3Å; W462-F479 AromaticContact CD1-CG 3.89Å; W462-F479 HydrophobicContact CD2-CB 3.6Å; W462-F479 HydrophobicContact CD2-CD2 4.07Å; W462-F479 HydrophobicContact CD2-CG 4.08Å; W462-F479 HydrophobicContact CE3-CB 4.21Å; W462-F479 HydrophobicContact CE3-CD2 4.44Å; W462-F479 HydrophobicContact CG-CB 3.89Å; W462-F479 AromaticContact CG-CD2 3.85Å; W462-F479 HydrophobicContact CG-CD2 3.85Å; W462-F479 AromaticContact CG-CG 3.88Å; W462-F479 HydrophobicContact CG-CG 3.88Å; W462-F479 HydrophobicContact CH2-CB 4.31Å; W462-F479 HydrophobicContact CZ2-CB 3.76Å; F479-R481 HydrophobicContact CD1-CG 3.93Å; F479-R481 HydrophobicContact CE1-CG 4.31Å; F479-R481 PolarHBondContact O-N 2.98Å
480	A	93.1	Very high	91.1	Very high	6 Å²	6	65.7 Å²	65.7	5%	0.05	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	90.5	-176.9	0	0	0	0	0	110.2	L281 V283 Y478 D482 L483	L281-A480 HydrophobicContact CB-CB 4.41Å; L281-A480 PolarHBondContact O-N 2.74Å; V283-A480 HydrophobicContact CG2-CB 3.85Å; Y478-A480 HydrophobicContact CD2-CB 4.39Å; Y478-A480 HydrophobicContact CE2-CB 3.83Å; A480-D482 PolarHBondContact O-N 3.39Å; A480-L483 HydrophobicContact CB-CB 3.79Å; A480-L483 HydrophobicContact CB-CD1 4.02Å; A480-L483 HydrophobicContact CB-CG 4.08Å; A480-L483 CarbonylContact O-C 3.55Å; A480-L483 PolarHBondContact O-N 3.26Å
481	R	89.6	Confident	91.1	Very high	191 Å²	191	61.1 Å²	61.1	72%	0.721	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.2	-24.1	179.9	-64	-175.8	-178.1	-163.1	1.2	113.4	F479 C484	F479-R481 HydrophobicContact CD1-CG 3.93Å; F479-R481 HydrophobicContact CE1-CG 4.31Å; F479-R481 PolarHBondContact O-N 2.98Å; R481-C484 PolarHBondContact O-SG 3.49Å
482	D	89.6	Confident	91.2	Very high	129 Å²	129	57.6 Å²	57.6	69%	0.69	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	-20	177	-59.6	-47.5	0	0	0	112.2	A480	A480-D482 PolarHBondContact O-N 3.39Å
483	L	92.6	Very high	91.4	Very high	4 Å²	4	56.9 Å²	56.9	2%	0.021	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	63.6	177.8	-56.7	178	0	0	0	110.8	C280 L281 V283 I394 F397 A480	C280-L483 WeakPolarHBondContact CA-O 3.43Å; C280-L483 WeakPolarHBondContact CB-O 3.41Å; L281-L483 HydrophobicContact CB-CB 4.2Å; L281-L483 HydrophobicContact CD1-CB 3.95Å; L281-L483 HydrophobicContact CD1-CD1 4.05Å; L281-L483 HydrophobicContact CG-CB 4.09Å; L281-L483 PolarHBondContact N-O 3.37Å; V283-L483 HydrophobicContact CG2-CD1 4.44Å; I394-L483 HydrophobicContact CB-CD1 4.23Å; I394-L483 HydrophobicContact CG2-CD1 3.79Å; I394-L483 WeakPolarHBondContact O-CD1 3.45Å; F397-L483 HydrophobicContact CD2-CD2 4.13Å; F397-L483 HydrophobicContact CE1-CB 4.22Å; F397-L483 HydrophobicContact CE2-CB 4.43Å; F397-L483 HydrophobicContact CE2-CD2 4.2Å; F397-L483 HydrophobicContact CG-CD2 4.37Å; F397-L483 VanDerWaalsContact CZ-C 3.4Å; F397-L483 HydrophobicContact CZ-CB 4.02Å; A480-L483 HydrophobicContact CB-CB 3.79Å; A480-L483 HydrophobicContact CB-CD1 4.02Å; A480-L483 HydrophobicContact CB-CG 4.08Å; A480-L483 CarbonylContact O-C 3.55Å; A480-L483 PolarHBondContact O-N 3.26Å
484	C	94.1	Very high	91.6	Very high	10 Å²	10	50.7 Å²	50.7	7%	0.068	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	128.9	176.3	-61.8	0	0	0	0	111.6	Y279 C280 H424 R481 S486 R487	Y279-C484 CarbonylContact O-C 3.6Å; Y279-C484 WeakPolarHBondContact O-CA 3.39Å; C280-C484 HydrophobicContact CB-CB 3.85Å; C280-C484 WeakPolarHBondContact CB-SG 3.31Å; C280-C484 WeakPolarHBondContact SG-CB 3.38Å; C280-C484 CovalentContact SG-SG 2.03Å; C280-C484 PolarHBondContact SG-SG 2.9Å; H424-C484 PolarHBondContact CD2-O 3.43Å; R481-C484 PolarHBondContact O-SG 3.49Å; C484-S486 VanDerWaalsContact C-N 3.25Å; C484-R487 HydrophobicContact CB-CG 4.23Å
485	F	92.3	Very high	92	Very high	6 Å²	6	45.8 Å²	45.8	3%	0.026	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	-33.9	168.2	-64.4	-64.3	0	0	0	111.3	Y279 L281 F397 M409 L417 N422 H424 F425 I428 V456	Y279-F485 HydrophobicContact CD1-CB 3.83Å; Y279-F485 AromaticContact CD1-CD2 3.73Å; Y279-F485 HydrophobicContact CD1-CD2 3.73Å; Y279-F485 HydrophobicContact CD1-CG 4.21Å; Y279-F485 HydrophobicContact CE1-CB 4.34Å; Y279-F485 AromaticContact CE1-CD2 3.59Å; Y279-F485 HydrophobicContact CE1-CD2 3.59Å; Y279-F485 HydrophobicContact CE1-CE2 4.33Å; Y279-F485 HydrophobicContact CE1-CG 4.29Å; Y279-F485 PolarHBondContact O-N 2.97Å; L281-F485 HydrophobicContact CD2-CE2 3.83Å; L281-F485 HydrophobicContact CD2-CZ 4.08Å; F397-F485 HydrophobicContact CD1-CE1 4.25Å; F397-F485 HydrophobicContact CE1-CD1 4.12Å; F397-F485 AromaticContact CE1-CE1 3.69Å; F397-F485 HydrophobicContact CE1-CE1 3.69Å; F397-F485 AromaticContact CE1-CZ 3.96Å; F397-F485 HydrophobicContact CE1-CZ 3.96Å; F397-F485 HydrophobicContact CZ-CD1 4.28Å; F397-F485 HydrophobicContact CZ-CE1 4.3Å; M409-F485 HydrophobicContact CE-CZ 4.41Å; M409-F485 HydrophobicContact SD-CE2 4.43Å; M409-F485 HydrophobicContact SD-CZ 4.45Å; L417-F485 HydrophobicContact CD1-CD1 4.2Å; L417-F485 HydrophobicContact CD1-CD2 4.17Å; L417-F485 HydrophobicContact CD1-CE1 4.28Å; L417-F485 HydrophobicContact CD1-CE2 4.23Å; L417-F485 HydrophobicContact CD1-CG 4.14Å; L417-F485 HydrophobicContact CD1-CZ 4.29Å; L417-F485 HydrophobicContact CD2-CB 3.99Å; L417-F485 HydrophobicContact CD2-CD1 4.5Å; L417-F485 HydrophobicContact CD2-CG 4.16Å; N422-F485 PolarHBondContact ND2-O 3.29Å; H424-F485 HydrophobicContact CB-CD1 4.27Å; F425-F485 HydrophobicContact CB-CD1 4.19Å; F425-F485 HydrophobicContact CB-CE1 4.05Å; F425-F485 HydrophobicContact CD2-CE1 4.07Å; F425-F485 HydrophobicContact CD2-CZ 4.4Å; I428-F485 HydrophobicContact CD1-CE1 3.66Å; I428-F485 HydrophobicContact CD1-CZ 3.73Å; V456-F485 HydrophobicContact CG1-CE2 3.69Å
486	S	91.1	Very high	91.9	Very high	30 Å²	30	42.8 Å²	42.8	21%	0.21	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	136.5	167.1	-179.1	0	0	0	0	110.3	Y279 C484 L488	Y279-S486 PolarHBondContact N-O 3.38Å; Y279-S486 PolarHBondContact O-N 3.43Å; C484-S486 VanDerWaalsContact C-N 3.25Å; S486-L488 VanDerWaalsContact C-N 3.32Å; S486-L488 PolarHBondContact OG-N 2.9Å; S486-L488 PolarHBondContact OG-O 2.82Å
487	R	90.1	Very high	91.6	Very high	187 Å²	187	46 Å²	46	71%	0.706	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	-18.5	175	-67	-177.4	174.6	-174	-3.3	112.7	C484	C484-R487 HydrophobicContact CB-CG 4.23Å
488	L	90.6	Very high	91.1	Very high	118 Å²	118	47.1 Å²	47.1	62%	0.618	21%	0.21	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-143.7	114.4	179.1	-173.7	68.3	0	0	0	109.8	L276 S486	L276-L488 HydrophobicContact CB-CD1 4.07Å; L276-L488 HydrophobicContact CD2-CD1 4.23Å; S486-L488 VanDerWaalsContact C-N 3.32Å; S486-L488 PolarHBondContact OG-N 2.9Å; S486-L488 PolarHBondContact OG-O 2.82Å
489	I	90.6	Very high	91	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	148.1	166.2	60.9	162.9	0	0	0	108.3	F262 L276 T277 T458 L491	F262-I489 HydrophobicContact CD2-CG2 4.47Å; F262-I489 HydrophobicContact CE1-CG2 4.02Å; F262-I489 HydrophobicContact CE2-CD1 4.35Å; F262-I489 HydrophobicContact CE2-CG2 3.74Å; F262-I489 HydrophobicContact CZ-CG2 3.49Å; F262-I489 VanDerWaalsContact CZ-CG2 3.49Å; L276-I489 WeakPolarHBondContact CA-O 3.49Å; T277-I489 HydrophobicContact CG2-CD1 3.77Å; T277-I489 HydrophobicContact CG2-CG1 3.53Å; T277-I489 PolarHBondContact N-O 3.16Å; T277-I489 VanDerWaalsContact O-CG1 3.24Å; T277-I489 WeakPolarHBondContact O-CG1 3.38Å; T277-I489 PolarHBondContact O-N 3.13Å; T458-I489 HydrophobicContact CG2-CD1 4.13Å; I489-L491 HydrophobicContact CD1-CD2 4.07Å
490	F	89.9	Confident	90.7	Very high	90 Å²	90	44.2 Å²	44.2	40%	0.395	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	142.1	168.6	48.4	-86.6	0	0	0	109.7	S261 P273 I275 L276	S261-F490 PolarHBondContact N-O 3.02Å; P273-F490 HydrophobicContact CB-CB 3.84Å; P273-F490 HydrophobicContact CB-CG 4.49Å; P273-F490 HydrophobicContact CG-CB 4.08Å; P273-F490 HydrophobicContact CG-CD2 4.11Å; P273-F490 HydrophobicContact CG-CG 4.2Å; I275-F490 CarbonylContact O-C 3.55Å; I275-F490 WeakPolarHBondContact O-CA 3.39Å; L276-F490 HydrophobicContact CD2-CB 3.8Å
491	L	91.6	Very high	90.6	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.021	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	122.3	172.9	-62	-172.6	0	0	0	108.6	L258 E259 Y274 I275 T277 I489	L258-L491 HydrophobicContact CB-CB 4.13Å; L258-L491 HydrophobicContact CB-CD1 4.36Å; L258-L491 HydrophobicContact CD1-CB 4.11Å; L258-L491 HydrophobicContact CD1-CD1 3.89Å; L258-L491 HydrophobicContact CD2-CB 4.37Å; L258-L491 HydrophobicContact CG-CB 4.43Å; E259-L491 CarbonylContact O-C 3.24Å; E259-L491 WeakPolarHBondContact O-CA 3.4Å; Y274-L491 WeakPolarHBondContact CA-O 3.47Å; Y274-L491 WeakPolarHBondContact CB-O 3.12Å; Y274-L491 PolarHBondContact N-O 3.45Å; I275-L491 HydrophobicContact CB-CB 4.22Å; I275-L491 PolarHBondContact N-O 2.85Å; I275-L491 VanDerWaalsContact N-O 3.07Å; I275-L491 PolarHBondContact O-N 3.08Å; T277-L491 HydrophobicContact CG2-CD1 3.9Å; T277-L491 HydrophobicContact CG2-CG 3.93Å; I489-L491 HydrophobicContact CD1-CD2 4.07Å
492	S	92.4	Very high	90.7	Very high	4 Å²	4	38.2 Å²	38.2	3%	0.028	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	152	179.5	-69.9	0	0	0	0	111.4	L258 E259 S271	L258-S492 WeakPolarHBondContact CA-O 3.41Å; E259-S492 PolarHBondContact N-O 2.74Å; E259-S492 PolarHBondContact O-N 3.24Å; S271-S492 WeakPolarHBondContact O-CB 3.44Å; S271-S492 PolarHBondContact O-OG 2.89Å
493	V	93.8	Very high	90.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	128.6	172.9	-178.8	0	0	0	0	108.1	L217 I254 G255 L258 S271 L495 F505	L217-V493 HydrophobicContact CD2-CG2 4.05Å; I254-V493 HydrophobicContact CG2-CG1 3.97Å; G255-V493 VanDerWaalsContact O-CG1 3.27Å; G255-V493 WeakPolarHBondContact O-CG1 3.41Å; L258-V493 HydrophobicContact CD2-CG2 4.01Å; S271-V493 WeakPolarHBondContact CB-O 3.49Å; S271-V493 PolarHBondContact N-O 3.18Å; S271-V493 PolarHBondContact OG-N 3.48Å; S271-V493 PolarHBondContact OG-O 3.5Å; V493-L495 HydrophobicContact CG1-CD2 4.16Å; V493-F505 HydrophobicContact CB-CE1 4.16Å; V493-F505 HydrophobicContact CB-CZ 4.45Å; V493-F505 HydrophobicContact CG1-CE1 4.14Å; V493-F505 HydrophobicContact CG1-CZ 4.12Å; V493-F505 HydrophobicContact CG2-CE1 4.42Å; V493-F505 HydrophobicContact CG2-CZ 4.44Å
494	P	92.6	Very high	90.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	130.8	178.1	34.7	-37.9	0	0	0	110.5	I243 F244 I247 G255 S257 I269	I243-P494 HydrophobicContact CG2-CG 4.35Å; F244-P494 HydrophobicContact CD1-CB 4.12Å; F244-P494 HydrophobicContact CE1-CB 3.5Å; F244-P494 HydrophobicContact CE1-CG 4.11Å; F244-P494 HydrophobicContact CZ-CB 4.16Å; F244-P494 HydrophobicContact CZ-CG 4.3Å; I247-P494 HydrophobicContact CD1-CB 3.47Å; I247-P494 VanDerWaalsContact CD1-CB 3.47Å; I247-P494 HydrophobicContact CD1-CG 3.78Å; I247-P494 WeakPolarHBondContact CD1-O 3.37Å; G255-P494 PolarHBondContact N-O 3.24Å; G255-P494 WeakPolarHBondContact O-CD 3.24Å; S257-P494 WeakPolarHBondContact O-CD 3.48Å; I269-P494 CarbonylContact O-C 3.46Å; I269-P494 VanDerWaalsContact O-CA 3.25Å; I269-P494 WeakPolarHBondContact O-CA 3.44Å
495	L	92.5	Very high	90.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-127.1	149.9	-174.4	-59.4	-179.7	0	0	0	110.3	I247 I254 I269 V493 R497 L499 R502 F505	I247-L495 WeakPolarHBondContact CG2-O 3.45Å; I254-L495 HydrophobicContact CB-CD2 4.32Å; I254-L495 HydrophobicContact CG1-CD2 3.97Å; I254-L495 HydrophobicContact CG2-CD2 3.99Å; I269-L495 CarbonylContact C-O 3.54Å; I269-L495 VanDerWaalsContact CA-O 3.27Å; I269-L495 WeakPolarHBondContact CA-O 3.4Å; I269-L495 WeakPolarHBondContact CB-O 3.44Å; I269-L495 PolarHBondContact O-N 3.3Å; I269-L495 VanDerWaalsContact O-O 3.13Å; V493-L495 HydrophobicContact CG1-CD2 4.16Å; L495-R497 PolarHBondContact O-N 3.47Å; L495-L499 HydrophobicContact CB-CD2 4.33Å; L495-L499 HydrophobicContact CD1-CD2 4.37Å; L495-L499 HydrophobicContact CD2-CD2 4.12Å; L495-R502 HydrophobicContact CD1-CG 4.08Å; L495-F505 HydrophobicContact CD1-CD1 4.02Å; L495-F505 HydrophobicContact CD1-CE1 4.46Å; L495-F505 HydrophobicContact CD2-CD1 3.92Å; L495-F505 HydrophobicContact CD2-CE1 3.86Å
496	R	90.8	Very high	90.9	Very high	13 Å²	13	35.4 Å²	35.4	5%	0.049	16%	0.159	C	C	.	.			trans	-54.4	140.2	168.6	-161.5	176.2	72.5	149.9	0.5	110.8	E134 E250 L252 D253 H498 L499	E134-R496 IonicContact OE1-CZ 3.99Å; E134-R496 IonicContact OE1-NH1 3.87Å; E134-R496 PolarHBondContact OE1-NH1 3.31Å; E134-R496 IonicContact OE1-NH2 2.81Å; E134-R496 PolarHBondContact OE1-NH2 3.41Å; E134-R496 IonicContact OE2-CZ 3.75Å; E134-R496 IonicContact OE2-NH1 3.88Å; E134-R496 IonicContact OE2-NH2 2.74Å; E134-R496 PolarHBondContact OE2-NH2 3.3Å; E250-R496 HydrophobicContact CB-CG 4.28Å; E250-R496 HydrophobicContact CG-CG 4.14Å; L252-R496 WeakPolarHBondContact O-CB 3.46Å; D253-R496 PolarHBondContact O-N 3.44Å; D253-R496 IonicContact OD1-NE 2.7Å; R496-H498 VanDerWaalsContact C-N 3.35Å; R496-H498 PolarHBondContact NH2-O 2.96Å; R496-H498 PolarHBondContact O-N 3.48Å; R496-L499 HydrophobicContact CB-CB 4.28Å; R496-L499 HydrophobicContact CB-CD1 4.39Å; R496-L499 WeakPolarHBondContact O-CB 3.28Å; R496-L499 PolarHBondContact O-N 3.35Å
497	R	85.4	Confident	91.1	Very high	87 Å²	87	37.6 Å²	37.6	33%	0.328	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-47.7	-178	-171	169	-170	-167.9	4	112.5	Y102 E268 I269 L495	Y102-R497 HydrophobicContact CD2-CG 3.84Å; Y102-R497 HydrophobicContact CE2-CG 3.18Å; Y102-R497 VanDerWaalsContact CE2-NE 3.31Å; E268-R497 IonicContact OE1-NH2 3.46Å; E268-R497 IonicContact OE2-CZ 2.69Å; E268-R497 IonicContact OE2-NE 2.78Å; E268-R497 PolarHBondContact OE2-NE 3.26Å; E268-R497 IonicContact OE2-NH2 3.21Å; E268-R497 PolarHBondContact OE2-NH2 2.98Å; I269-R497 HydrophobicContact CG2-CB 4.07Å; L495-R497 PolarHBondContact O-N 3.47Å
498	H	83.6	Confident	91.4	Very high	27 Å²	27	28.9 Å²	28.9	13%	0.125	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	49.3	179	-56.4	103.2	0	0	0	112.2	Y102 Q109 E250 R496 P500	Y102-H498 AromaticContact CD2-NE2 3.34Å; Y102-H498 VanDerWaalsContact CD2-NE2 3.34Å; Y102-H498 WeakPolarHBondContact CD2-NE2 3.33Å; Y102-H498 AromaticContact CE2-NE2 3.65Å; Q109-H498 PolarHBondContact NE2-O 3.41Å; E250-H498 IonicContact OE1-CE1 3.95Å; E250-H498 IonicContact OE1-ND1 3.04Å; E250-H498 PolarHBondContact OE1-ND1 3.34Å; R496-H498 VanDerWaalsContact C-N 3.35Å; R496-H498 PolarHBondContact NH2-O 2.96Å; R496-H498 PolarHBondContact O-N 3.48Å; H498-P500 VanDerWaalsContact O-CD 3.26Å; H498-P500 WeakPolarHBondContact O-CD 3.44Å
499	L	89.4	Confident	91.7	Very high	4 Å²	4	23.4 Å²	23.4	2%	0.021	10%	0.104	C	C	.	.			trans	-72.4	114.6	179.9	-171.7	69.1	0	0	0	111	D253 I254 L495 R496 Y501 R502	D253-L499 HydrophobicContact CB-CD1 3.88Å; I254-L499 HydrophobicContact CG1-CD2 4.3Å; L495-L499 HydrophobicContact CB-CD2 4.33Å; L495-L499 HydrophobicContact CD1-CD2 4.37Å; L495-L499 HydrophobicContact CD2-CD2 4.12Å; R496-L499 HydrophobicContact CB-CB 4.28Å; R496-L499 HydrophobicContact CB-CD1 4.39Å; R496-L499 WeakPolarHBondContact O-CB 3.28Å; R496-L499 PolarHBondContact O-N 3.35Å; L499-Y501 HydrophobicContact CD1-CD1 4.47Å; L499-Y501 HydrophobicContact CD1-CD2 4.39Å; L499-Y501 HydrophobicContact CD1-CE1 3.88Å; L499-Y501 HydrophobicContact CD1-CE2 3.77Å; L499-Y501 HydrophobicContact CD2-CD2 4.19Å; L499-Y501 HydrophobicContact CD2-CE2 3.96Å; L499-Y501 HydrophobicContact CG-CD2 4.16Å; L499-Y501 HydrophobicContact CG-CE1 4.47Å; L499-Y501 HydrophobicContact CG-CE2 3.98Å; L499-Y501 PolarHBondContact O-N 2.99Å; L499-Y501 VanDerWaalsContact O-N 3.16Å; L499-R502 HydrophobicContact CB-CB 4.16Å; L499-R502 HydrophobicContact CD2-CB 4.39Å; L499-R502 HydrophobicContact CG-CB 4.49Å; L499-R502 VanDerWaalsContact O-CB 3.3Å; L499-R502 WeakPolarHBondContact O-CB 3.45Å; L499-R502 PolarHBondContact O-N 2.9Å
500	P	88.9	Confident	91.9	Very high	16 Å²	16	27.8 Å²	27.8	10%	0.104	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-23.8	-169.1	-23.4	35.6	0	0	0	114.9	Y136 F178 H498	Y136-P500 HydrophobicContact CD2-CB 3.79Å; Y136-P500 HydrophobicContact CD2-CG 4.27Å; Y136-P500 HydrophobicContact CE2-CB 3.39Å; Y136-P500 HydrophobicContact CE2-CG 3.36Å; F178-P500 HydrophobicContact CD2-CB 4.38Å; F178-P500 HydrophobicContact CE1-CB 4.27Å; F178-P500 HydrophobicContact CE2-CB 3.56Å; F178-P500 HydrophobicContact CZ-CB 3.49Å; F178-P500 VanDerWaalsContact CZ-CB 3.49Å; F178-P500 HydrophobicContact CZ-CG 4.1Å; H498-P500 VanDerWaalsContact O-CD 3.26Å; H498-P500 WeakPolarHBondContact O-CD 3.44Å
501	Y	91.3	Very high	92.2	Very high	9 Å²	9	25.6 Å²	25.6	4%	0.035	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	23.1	-177.6	50.2	-93.4	0	0	0	112.4	F178 M181 F221 I254 L499 H503 L504 F505	F178-Y501 HydrophobicContact CB-CG 4.4Å; F178-Y501 AromaticContact CD1-CD1 3.34Å; F178-Y501 HydrophobicContact CD1-CD1 3.34Å; F178-Y501 HydrophobicContact CD1-CE1 4.12Å; F178-Y501 HydrophobicContact CD1-CG 4.01Å; F178-Y501 AromaticContact CE1-CD1 3.53Å; F178-Y501 HydrophobicContact CE1-CD1 3.53Å; F178-Y501 HydrophobicContact CE1-CE1 4.08Å; F178-Y501 AromaticContact CG-CD1 3.95Å; F178-Y501 HydrophobicContact CG-CD1 3.95Å; F178-Y501 HydrophobicContact CG-CG 4.25Å; F178-Y501 HydrophobicContact CZ-CD1 4.29Å; M181-Y501 HydrophobicContact CE-CE1 4.43Å; F221-Y501 AromaticContact CE1-CD2 3.76Å; F221-Y501 HydrophobicContact CE1-CD2 3.76Å; F221-Y501 AromaticContact CE1-CE2 3.8Å; F221-Y501 HydrophobicContact CE1-CE2 3.8Å; F221-Y501 AromaticContact CZ-CD2 3.75Å; F221-Y501 HydrophobicContact CZ-CD2 3.75Å; F221-Y501 HydrophobicContact CZ-CE2 4.28Å; I254-Y501 HydrophobicContact CD1-CE2 4.3Å; L499-Y501 HydrophobicContact CD1-CD1 4.47Å; L499-Y501 HydrophobicContact CD1-CD2 4.39Å; L499-Y501 HydrophobicContact CD1-CE1 3.88Å; L499-Y501 HydrophobicContact CD1-CE2 3.77Å; L499-Y501 HydrophobicContact CD2-CD2 4.19Å; L499-Y501 HydrophobicContact CD2-CE2 3.96Å; L499-Y501 HydrophobicContact CG-CD2 4.16Å; L499-Y501 HydrophobicContact CG-CE1 4.47Å; L499-Y501 HydrophobicContact CG-CE2 3.98Å; L499-Y501 PolarHBondContact O-N 2.99Å; L499-Y501 VanDerWaalsContact O-N 3.16Å; Y501-H503 VanDerWaalsContact C-N 3.27Å; Y501-H503 PolarHBondContact O-N 3.42Å; Y501-L504 WeakPolarHBondContact O-CB 3.5Å; Y501-L504 PolarHBondContact O-N 2.91Å; Y501-L504 VanDerWaalsContact O-N 3.1Å; Y501-F505 PolarHBondContact O-N 3.45Å; Y501-F505 VanDerWaalsContact O-N 3.14Å
502	R	91.1	Very high	92.4	Very high	62 Å²	62	26.2 Å²	26.2	23%	0.234	12%	0.12	C	C	.	.	H	α-helix	trans	-53.4	-42.9	-179.7	-179.9	172.2	173.7	125.3	-1	113.2	E268 S270 L495 L499 L504 F505 D506	E268-R502 PolarHBondContact O-NH1 3.47Å; S270-R502 PolarHBondContact O-NH1 2.91Å; S270-R502 PolarHBondContact O-NH2 3.35Å; L495-R502 HydrophobicContact CD1-CG 4.08Å; L499-R502 HydrophobicContact CB-CB 4.16Å; L499-R502 HydrophobicContact CD2-CB 4.39Å; L499-R502 HydrophobicContact CG-CB 4.49Å; L499-R502 VanDerWaalsContact O-CB 3.3Å; L499-R502 WeakPolarHBondContact O-CB 3.45Å; L499-R502 PolarHBondContact O-N 2.9Å; R502-L504 VanDerWaalsContact C-N 3.32Å; R502-L504 PolarHBondContact O-N 3.49Å; R502-F505 WeakPolarHBondContact O-CB 3.38Å; R502-F505 PolarHBondContact O-N 3.25Å; R502-F505 VanDerWaalsContact O-N 3.17Å; R502-D506 IonicContact NE-OD2 3.8Å; R502-D506 PolarHBondContact O-N 3.37Å
503	H	89.9	Confident	92.5	Very high	48 Å²	48	29.4 Å²	29.4	22%	0.222	13%	0.134	C	C	.	.	H	α-helix	trans	-63.5	-37.4	179.3	63.3	-66.3	0	0	0	112.3	R110 E176 Y501 F505 D506 E507	R110-H503 PolarHBondContact NE-NE2 2.85Å; E176-H503 IonicContact OE1-CE1 3.81Å; E176-H503 IonicContact OE1-NE2 3.34Å; E176-H503 IonicContact OE2-CD2 3.12Å; E176-H503 IonicContact OE2-CE1 2.79Å; E176-H503 PolarHBondContact OE2-CE1 3.27Å; E176-H503 IonicContact OE2-NE2 3.85Å; E176-H503 PolarHBondContact OE2-NE2 2.75Å; Y501-H503 VanDerWaalsContact C-N 3.27Å; Y501-H503 PolarHBondContact O-N 3.42Å; H503-F505 VanDerWaalsContact C-N 3.31Å; H503-D506 PolarHBondContact O-N 3.47Å; H503-E507 VanDerWaalsContact O-CB 3.24Å; H503-E507 WeakPolarHBondContact O-CB 3.27Å; H503-E507 PolarHBondContact O-N 3.3Å
504	L	94.2	Very high	92.6	Very high	14 Å²	14	36.3 Å²	36.3	7%	0.073	17%	0.166	C	C	.	.	H	α-helix	trans	-66.2	-37.4	175.5	-60.7	-179.9	0	0	0	111.1	E176 F178 F221 Y501 R502 H508	E176-L504 HydrophobicContact CG-CD1 4.09Å; E176-L504 HydrophobicContact CG-CD2 4.16Å; F178-L504 HydrophobicContact CB-CD1 3.66Å; F221-L504 HydrophobicContact CE2-CB 4.04Å; F221-L504 HydrophobicContact CZ-CB 4.25Å; Y501-L504 WeakPolarHBondContact O-CB 3.5Å; Y501-L504 PolarHBondContact O-N 2.91Å; Y501-L504 VanDerWaalsContact O-N 3.1Å; R502-L504 VanDerWaalsContact C-N 3.32Å; R502-L504 PolarHBondContact O-N 3.49Å; L504-H508 WeakPolarHBondContact O-CB 3.45Å; L504-H508 PolarHBondContact O-N 2.87Å
505	F	95.8	Very high	92.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-68.5	-46.7	176.3	-175.6	-101.2	0	0	0	111.8	L217 V218 F221 I254 V493 L495 Y501 R502 H503 H508 M509	L217-F505 HydrophobicContact CD2-CZ 3.92Å; L217-F505 HydrophobicContact CG-CE2 4.38Å; L217-F505 HydrophobicContact CG-CZ 4.2Å; V218-F505 HydrophobicContact CG2-CE2 4.22Å; V218-F505 HydrophobicContact CG2-CZ 4.3Å; F221-F505 HydrophobicContact CB-CD2 4.18Å; F221-F505 HydrophobicContact CB-CE2 4.3Å; F221-F505 AromaticContact CD1-CD2 3.72Å; F221-F505 HydrophobicContact CD1-CD2 3.72Å; F221-F505 HydrophobicContact CD1-CE2 4.38Å; F221-F505 AromaticContact CD2-CD2 3.97Å; F221-F505 HydrophobicContact CD2-CD2 3.97Å; F221-F505 HydrophobicContact CE1-CB 4.39Å; F221-F505 HydrophobicContact CE1-CD2 4.06Å; F221-F505 HydrophobicContact CE2-CB 4.08Å; F221-F505 HydrophobicContact CE2-CD2 4.3Å; F221-F505 AromaticContact CG-CD2 3.67Å; F221-F505 HydrophobicContact CG-CD2 3.67Å; F221-F505 HydrophobicContact CG-CE2 4.26Å; F221-F505 HydrophobicContact CZ-CB 4Å; F221-F505 HydrophobicContact CZ-CD2 4.34Å; I254-F505 HydrophobicContact CD1-CD2 3.95Å; I254-F505 HydrophobicContact CD1-CE2 4.04Å; I254-F505 HydrophobicContact CD1-CG 4.49Å; I254-F505 HydrophobicContact CG2-CZ 4.45Å; V493-F505 HydrophobicContact CB-CE1 4.16Å; V493-F505 HydrophobicContact CB-CZ 4.45Å; V493-F505 HydrophobicContact CG1-CE1 4.14Å; V493-F505 HydrophobicContact CG1-CZ 4.12Å; V493-F505 HydrophobicContact CG2-CE1 4.42Å; V493-F505 HydrophobicContact CG2-CZ 4.44Å; L495-F505 HydrophobicContact CD1-CD1 4.02Å; L495-F505 HydrophobicContact CD1-CE1 4.46Å; L495-F505 HydrophobicContact CD2-CD1 3.92Å; L495-F505 HydrophobicContact CD2-CE1 3.86Å; Y501-F505 PolarHBondContact O-N 3.45Å; Y501-F505 VanDerWaalsContact O-N 3.14Å; R502-F505 WeakPolarHBondContact O-CB 3.38Å; R502-F505 PolarHBondContact O-N 3.25Å; R502-F505 VanDerWaalsContact O-N 3.17Å; H503-F505 VanDerWaalsContact C-N 3.31Å; F505-H508 PolarHBondContact O-N 3.49Å; F505-M509 WeakPolarHBondContact O-CB 3.41Å; F505-M509 PolarHBondContact O-N 2.86Å
506	D	93.9	Very high	92.9	Very high	28 Å²	28	44.5 Å²	44.5	15%	0.15	21%	0.209	C	C	.	.	H	α-helix	trans	-62.3	-43.4	177	-74.7	-33.5	0	0	0	111.1	Y272 R502 H503 M509 M510	Y272-D506 PolarHBondContact N-OD1 3.18Å; Y272-D506 VanDerWaalsContact N-OD1 3.14Å; R502-D506 IonicContact NE-OD2 3.8Å; R502-D506 PolarHBondContact O-N 3.37Å; H503-D506 PolarHBondContact O-N 3.47Å; D506-M509 PolarHBondContact O-N 3.44Å; D506-M510 WeakPolarHBondContact O-CG 3.45Å; D506-M510 PolarHBondContact O-N 3.3Å
507	E	94.9	Very high	93.2	Very high	77 Å²	77	48.3 Å²	48.3	36%	0.36	23%	0.226	S	C	.	.	H	α-helix	trans	-61.8	-45.9	174.5	-172.8	-163.9	153.3	0	0	111.6	R224 H503 M509 M510 Q511	R224-E507 IonicContact NH2-OE1 3.97Å; H503-E507 VanDerWaalsContact O-CB 3.24Å; H503-E507 WeakPolarHBondContact O-CB 3.27Å; H503-E507 PolarHBondContact O-N 3.3Å; E507-M509 VanDerWaalsContact C-N 3.31Å; E507-M509 PolarHBondContact O-N 3.38Å; E507-M510 PolarHBondContact O-N 2.81Å; E507-Q511 WeakPolarHBondContact O-CG 3.44Å; E507-Q511 PolarHBondContact O-N 3.05Å; E507-Q511 PolarHBondContact OE1-NE2 2.9Å
508	H	96.4	Very high	93.6	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.019	21%	0.211	C	C	.	.	H	α-helix	trans	-58.2	-46.1	177	174	76.6	0	0	0	111.2	L217 T220 F221 R224 L504 F505 Q511 Q512	L217-H508 PolarHBondContact O-NE2 2.62Å; T220-H508 PolarHBondContact OG1-CE1 2.87Å; T220-H508 PolarHBondContact OG1-NE2 3.48Å; T220-H508 VanDerWaalsContact OG1-NE2 3.08Å; F221-H508 HydrophobicContact CD2-CB 3.78Å; F221-H508 AromaticContact CD2-CD2 3.92Å; F221-H508 AromaticContact CD2-CG 3.83Å; F221-H508 HydrophobicContact CE2-CB 4.34Å; F221-H508 PolarHBondContact N-NE2 3.08Å; R224-H508 WeakPolarHBondContact CD-ND1 3.34Å; R224-H508 PolarHBondContact NH1-ND1 3.05Å; R224-H508 VanDerWaalsContact NH1-ND1 3.2Å; L504-H508 WeakPolarHBondContact O-CB 3.45Å; L504-H508 PolarHBondContact O-N 2.87Å; F505-H508 PolarHBondContact O-N 3.49Å; H508-Q511 PolarHBondContact O-N 3.28Å; H508-Q512 PolarHBondContact CE1-NE2 3.32Å; H508-Q512 PolarHBondContact ND1-NE2 3.39Å; H508-Q512 VanDerWaalsContact O-CG 3.28Å; H508-Q512 WeakPolarHBondContact O-CG 3.36Å; H508-Q512 PolarHBondContact O-N 2.83Å
509	M	96.3	Very high	94.1	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-60.5	-46.2	177.8	-178.2	175.9	65.1	0	0	112.1	L217 Y272 Y274 F505 D506 E507 Q511 Q512 H513	L217-M509 HydrophobicContact CD1-CB 3.98Å; L217-M509 HydrophobicContact CD1-CG 4.16Å; L217-M509 HydrophobicContact CD2-CB 4.49Å; L217-M509 HydrophobicContact CD2-CG 4.07Å; L217-M509 HydrophobicContact CD2-SD 4.18Å; Y272-M509 HydrophobicContact CD1-CE 4.37Å; Y272-M509 WeakPolarHBondContact O-CE 3.38Å; Y274-M509 HydrophobicContact CD2-CG 3.43Å; Y274-M509 VanDerWaalsContact CD2-CG 3.43Å; Y274-M509 HydrophobicContact CD2-SD 3.53Å; Y274-M509 VanDerWaalsContact CD2-SD 3.53Å; Y274-M509 HydrophobicContact CE2-CG 3.97Å; Y274-M509 HydrophobicContact CG-CG 4.4Å; Y274-M509 HydrophobicContact CG-SD 3.92Å; F505-M509 WeakPolarHBondContact O-CB 3.41Å; F505-M509 PolarHBondContact O-N 2.86Å; D506-M509 PolarHBondContact O-N 3.44Å; E507-M509 VanDerWaalsContact C-N 3.31Å; E507-M509 PolarHBondContact O-N 3.38Å; M509-Q511 VanDerWaalsContact C-N 3.33Å; M509-Q511 PolarHBondContact O-N 3.32Å; M509-Q512 PolarHBondContact O-N 3.41Å; M509-H513 PolarHBondContact O-CD2 3.17Å; M509-H513 VanDerWaalsContact O-CD2 3.3Å; M509-H513 PolarHBondContact O-N 3.43Å; M509-H513 VanDerWaalsContact O-N 3.15Å
510	M	95.3	Very high	94.3	Very high	95 Å²	95	53.2 Å²	53.2	47%	0.468	25%	0.252	S	S	.	.	H	α-helix	trans	-58.4	-45.5	174.6	-71.7	178.2	63.6	0	0	111.5	D506 E507 Q512 H513 E514	D506-M510 WeakPolarHBondContact O-CG 3.45Å; D506-M510 PolarHBondContact O-N 3.3Å; E507-M510 PolarHBondContact O-N 2.81Å; M510-Q512 PolarHBondContact O-N 3.36Å; M510-H513 WeakPolarHBondContact O-CA 3.3Å; M510-H513 WeakPolarHBondContact O-CB 3.46Å; M510-H513 PolarHBondContact O-N 2.92Å; M510-H513 VanDerWaalsContact O-N 3.1Å; M510-E514 WeakPolarHBondContact O-CG 3.47Å; M510-E514 PolarHBondContact O-N 3.42Å
511	Q	96.1	Very high	94.6	Very high	44 Å²	44	53.7 Å²	53.7	21%	0.206	25%	0.251	C	S	.	.	H	α-helix	trans	-63.8	-39.4	177.5	-73.2	169.2	-1.5	0	0	112	E507 H508 M509 H513 E514 F515	E507-Q511 WeakPolarHBondContact O-CG 3.44Å; E507-Q511 PolarHBondContact O-N 3.05Å; E507-Q511 PolarHBondContact OE1-NE2 2.9Å; H508-Q511 PolarHBondContact O-N 3.28Å; M509-Q511 VanDerWaalsContact C-N 3.33Å; M509-Q511 PolarHBondContact O-N 3.32Å; Q511-H513 PolarHBondContact O-N 2.97Å; Q511-E514 PolarHBondContact O-N 3.37Å; Q511-E514 VanDerWaalsContact O-N 3.12Å; Q511-F515 HydrophobicContact CB-CD2 4.33Å; Q511-F515 HydrophobicContact CB-CE2 4.21Å; Q511-F515 WeakPolarHBondContact O-CD2 3.34Å; Q511-F515 PolarHBondContact O-N 2.87Å
512	Q	95.9	Very high	94.7	Very high	17 Å²	17	54.3 Å²	54.3	8%	0.079	26%	0.255	C	S	.	.	H	α-helix	trans	-59.9	-34	174.4	-64.7	-39	-59.6	0	0	112.1	L217 H508 M509 M510 G516 F517 V518 W521	L217-Q512 HydrophobicContact CD1-CB 4.39Å; L217-Q512 HydrophobicContact CD1-CG 3.88Å; H508-Q512 PolarHBondContact CE1-NE2 3.32Å; H508-Q512 PolarHBondContact ND1-NE2 3.39Å; H508-Q512 VanDerWaalsContact O-CG 3.28Å; H508-Q512 WeakPolarHBondContact O-CG 3.36Å; H508-Q512 PolarHBondContact O-N 2.83Å; M509-Q512 PolarHBondContact O-N 3.41Å; M510-Q512 PolarHBondContact O-N 3.36Å; Q512-G516 PolarHBondContact O-N 2.89Å; Q512-F517 PolarHBondContact O-N 2.87Å; Q512-V518 HydrophobicContact CB-CG2 3.98Å; Q512-W521 HydrophobicContact CG-CH2 4.31Å
513	H	95	Very high	94.6	Very high	70 Å²	70	54.5 Å²	54.5	32%	0.324	27%	0.266	S	S	.	.	H	α-helix	trans	-69.4	-46.6	171.6	-82.8	-78	0	0	0	112.5	Y274 M509 M510 Q511 F515 G516	Y274-H513 AromaticContact CD2-NE2 3.17Å; Y274-H513 WeakPolarHBondContact CD2-NE2 3.08Å; Y274-H513 AromaticContact CE2-NE2 3.31Å; Y274-H513 VanDerWaalsContact CE2-NE2 3.31Å; Y274-H513 WeakPolarHBondContact CE2-NE2 3.45Å; Y274-H513 PolarHBondContact O-CE1 3.38Å; Y274-H513 PolarHBondContact O-NE2 2.88Å; M509-H513 PolarHBondContact O-CD2 3.17Å; M509-H513 VanDerWaalsContact O-CD2 3.3Å; M509-H513 PolarHBondContact O-N 3.43Å; M509-H513 VanDerWaalsContact O-N 3.15Å; M510-H513 WeakPolarHBondContact O-CA 3.3Å; M510-H513 WeakPolarHBondContact O-CB 3.46Å; M510-H513 PolarHBondContact O-N 2.92Å; M510-H513 VanDerWaalsContact O-N 3.1Å; Q511-H513 PolarHBondContact O-N 2.97Å; H513-F515 VanDerWaalsContact C-N 3.31Å; H513-F515 PolarHBondContact O-N 2.96Å; H513-G516 PolarHBondContact O-N 3.23Å
514	E	95.8	Very high	94.7	Very high	145 Å²	145	55.6 Å²	55.6	68%	0.678	27%	0.271	S	S	*	.	H	α-helix	trans	-59.3	-41	180	-71.5	177.1	172.9	0	0	112.2	M510 Q511 G516	M510-E514 WeakPolarHBondContact O-CG 3.47Å; M510-E514 PolarHBondContact O-N 3.42Å; Q511-E514 PolarHBondContact O-N 3.37Å; Q511-E514 VanDerWaalsContact O-N 3.12Å; E514-G516 VanDerWaalsContact C-N 3.25Å; E514-G516 PolarHBondContact O-N 3.23Å
515	F	95.9	Very high	94.6	Very high	147 Å²	147	54.9 Å²	54.9	65%	0.645	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-9.8	175.7	-70.1	-63.7	0	0	0	113.8	Q511 H513 F517	Q511-F515 HydrophobicContact CB-CD2 4.33Å; Q511-F515 HydrophobicContact CB-CE2 4.21Å; Q511-F515 WeakPolarHBondContact O-CD2 3.34Å; Q511-F515 PolarHBondContact O-N 2.87Å; H513-F515 VanDerWaalsContact C-N 3.31Å; H513-F515 PolarHBondContact O-N 2.96Å; F515-F517 VanDerWaalsContact C-N 3.33Å; F515-F517 HydrophobicContact CB-CD2 3.57Å; F515-F517 HydrophobicContact CB-CE2 3.65Å; F515-F517 HydrophobicContact CD2-CE2 4.44Å; F515-F517 HydrophobicContact CG-CD2 4.43Å; F515-F517 HydrophobicContact CG-CE2 4.17Å; F515-F517 PolarHBondContact O-N 3.41Å
516	G	95.7	Very high	94.4	Very high	26 Å²	26	55.3 Å²	55.3	27%	0.268	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	9.3	179.8	0	0	0	0	0	115.2	Q512 H513 E514 V518 N519 Y520	Q512-G516 PolarHBondContact O-N 2.89Å; H513-G516 PolarHBondContact O-N 3.23Å; E514-G516 VanDerWaalsContact C-N 3.25Å; E514-G516 PolarHBondContact O-N 3.23Å; G516-V518 VanDerWaalsContact C-N 3.28Å; G516-V518 PolarHBondContact O-N 2.89Å; G516-N519 PolarHBondContact O-N 3.49Å; G516-Y520 PolarHBondContact O-N 3.14Å; G516-Y520 VanDerWaalsContact O-N 3.09Å
517	F	95.5	Very high	94.3	Very high	92 Å²	92	59.9 Å²	59.9	40%	0.404	29%	0.288	S	S	.	.	H	α-helix	trans	-60.6	-37.7	179.1	-75.1	-60.5	0	0	0	112.5	Q512 F515 N519 Y520 W521	Q512-F517 PolarHBondContact O-N 2.87Å; F515-F517 VanDerWaalsContact C-N 3.33Å; F515-F517 HydrophobicContact CB-CD2 3.57Å; F515-F517 HydrophobicContact CB-CE2 3.65Å; F515-F517 HydrophobicContact CD2-CE2 4.44Å; F515-F517 HydrophobicContact CG-CD2 4.43Å; F515-F517 HydrophobicContact CG-CE2 4.17Å; F515-F517 PolarHBondContact O-N 3.41Å; F517-N519 VanDerWaalsContact C-N 3.33Å; F517-N519 PolarHBondContact O-N 3.46Å; F517-Y520 WeakPolarHBondContact O-CB 3.33Å; F517-Y520 PolarHBondContact O-N 3.08Å; F517-W521 HydrophobicContact CB-CD2 4.42Å; F517-W521 HydrophobicContact CB-CE3 4.48Å; F517-W521 HydrophobicContact CB-CH2 4Å; F517-W521 HydrophobicContact CB-CZ2 3.92Å; F517-W521 HydrophobicContact CB-CZ3 4.29Å; F517-W521 HydrophobicContact CG-CZ2 4.35Å; F517-W521 VanDerWaalsContact O-CG 3.32Å; F517-W521 PolarHBondContact O-N 3.34Å
518	V	94.1	Very high	94.2	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.006	28%	0.28	C	S	.	.	H	α-helix	trans	-61.6	-43.6	179	-175.4	0	0	0	0	111.1	Y274 Q512 G516 W521 M522	Y274-V518 HydrophobicContact CE1-CG1 4.43Å; Y274-V518 HydrophobicContact CE2-CB 4.47Å; Y274-V518 HydrophobicContact CE2-CG1 3.94Å; Y274-V518 HydrophobicContact CE2-CG2 3.65Å; Y274-V518 WeakPolarHBondContact OH-CG1 3.13Å; Y274-V518 WeakPolarHBondContact OH-CG2 3.45Å; Q512-V518 HydrophobicContact CB-CG2 3.98Å; G516-V518 VanDerWaalsContact C-N 3.28Å; G516-V518 PolarHBondContact O-N 2.89Å; V518-W521 PolarHBondContact O-N 3.17Å; V518-M522 HydrophobicContact CG1-CE 3.94Å; V518-M522 HydrophobicContact CG1-SD 4.44Å; V518-M522 WeakPolarHBondContact O-CB 3.35Å; V518-M522 VanDerWaalsContact O-CG 3.29Å; V518-M522 WeakPolarHBondContact O-CG 3.32Å; V518-M522 PolarHBondContact O-N 2.98Å
519	N	93.7	Very high	94	Very high	95 Å²	95	57.8 Å²	57.8	51%	0.508	28%	0.279	S	S	.	.	H	α-helix	trans	-65.4	-40.5	176	-74	-30.6	0	0	0	112	G516 F517 M522 S523	G516-N519 PolarHBondContact O-N 3.49Å; F517-N519 VanDerWaalsContact C-N 3.33Å; F517-N519 PolarHBondContact O-N 3.46Å; N519-M522 PolarHBondContact O-N 3.25Å; N519-M522 VanDerWaalsContact OD1-CE 3.26Å; N519-M522 WeakPolarHBondContact OD1-CE 3.48Å; N519-S523 PolarHBondContact O-N 2.88Å; N519-S523 PolarHBondContact O-OG 3.27Å
520	Y	94.8	Very high	93.9	Very high	125 Å²	125	59.3 Å²	59.3	49%	0.49	29%	0.288	S	S	.	.	H	α-helix	trans	-61.9	-48.7	176	171.8	-95.8	0	0	0	112.1	G516 F517 M522 S523 H524	G516-Y520 PolarHBondContact O-N 3.14Å; G516-Y520 VanDerWaalsContact O-N 3.09Å; F517-Y520 WeakPolarHBondContact O-CB 3.33Å; F517-Y520 PolarHBondContact O-N 3.08Å; Y520-M522 PolarHBondContact O-N 3.28Å; Y520-S523 PolarHBondContact O-N 3.48Å; Y520-S523 PolarHBondContact O-OG 2.9Å; Y520-H524 AromaticContact CD2-CE1 3.49Å; Y520-H524 VanDerWaalsContact CD2-CE1 3.49Å; Y520-H524 WeakPolarHBondContact CD2-CE1 3.27Å; Y520-H524 AromaticContact CD2-ND1 3.56Å; Y520-H524 AromaticContact CE2-CE1 3.13Å; Y520-H524 WeakPolarHBondContact CE2-CE1 3.27Å; Y520-H524 AromaticContact CE2-ND1 3.43Å; Y520-H524 WeakPolarHBondContact CE2-ND1 3.39Å; Y520-H524 AromaticContact CE2-NE2 3.58Å; Y520-H524 AromaticContact CZ-CE1 3.86Å; Y520-H524 AromaticContact CZ-ND1 3.88Å; Y520-H524 WeakPolarHBondContact O-CB 3.35Å; Y520-H524 PolarHBondContact O-N 3.4Å; Y520-H524 PolarHBondContact O-ND1 3.2Å
521	W	94.9	Very high	93.8	Very high	26 Å²	26	64 Å²	64	10%	0.098	30%	0.301	C	S	.	.	H	α-helix	trans	-64	-40.9	177.6	-62.5	-33.5	0	0	0	111.6	N216 L217 T220 Q512 F517 V518 S523 H524 S525	N216-W521 HydrophobicContact CB-CD2 3.62Å; N216-W521 HydrophobicContact CB-CE3 3.79Å; N216-W521 HydrophobicContact CB-CG 4.19Å; N216-W521 HydrophobicContact CB-CH2 4.01Å; N216-W521 HydrophobicContact CB-CZ2 3.83Å; N216-W521 HydrophobicContact CB-CZ3 3.98Å; L217-W521 HydrophobicContact CB-CZ3 4.31Å; T220-W521 HydrophobicContact CG2-CH2 4.13Å; T220-W521 HydrophobicContact CG2-CZ2 4.03Å; Q512-W521 HydrophobicContact CG-CH2 4.31Å; F517-W521 HydrophobicContact CB-CD2 4.42Å; F517-W521 HydrophobicContact CB-CE3 4.48Å; F517-W521 HydrophobicContact CB-CH2 4Å; F517-W521 HydrophobicContact CB-CZ2 3.92Å; F517-W521 HydrophobicContact CB-CZ3 4.29Å; F517-W521 HydrophobicContact CG-CZ2 4.35Å; F517-W521 VanDerWaalsContact O-CG 3.32Å; F517-W521 PolarHBondContact O-N 3.34Å; V518-W521 PolarHBondContact O-N 3.17Å; W521-S523 PolarHBondContact O-N 3.42Å; W521-H524 PolarHBondContact O-N 3.5Å; W521-S525 WeakPolarHBondContact O-CB 3.36Å; W521-S525 PolarHBondContact O-N 3.42Å; W521-S525 PolarHBondContact O-OG 2.85Å
522	M	92.9	Very high	93.5	Very high	23 Å²	23	64.4 Å²	64.4	11%	0.113	30%	0.304	C	S	.	.	H	α-helix	trans	-64.3	-37.8	176.4	-75.7	-172.3	-60.8	0	0	113	Y213 I275 V518 N519 Y520 S525	Y213-M522 HydrophobicContact CD1-CG 4.17Å; Y213-M522 HydrophobicContact CD2-CG 4.21Å; Y213-M522 HydrophobicContact CG-CG 3.89Å; I275-M522 HydrophobicContact CD1-SD 4.02Å; V518-M522 HydrophobicContact CG1-CE 3.94Å; V518-M522 HydrophobicContact CG1-SD 4.44Å; V518-M522 WeakPolarHBondContact O-CB 3.35Å; V518-M522 VanDerWaalsContact O-CG 3.29Å; V518-M522 WeakPolarHBondContact O-CG 3.32Å; V518-M522 PolarHBondContact O-N 2.98Å; N519-M522 PolarHBondContact O-N 3.25Å; N519-M522 VanDerWaalsContact OD1-CE 3.26Å; N519-M522 WeakPolarHBondContact OD1-CE 3.48Å; Y520-M522 PolarHBondContact O-N 3.28Å; M522-S525 WeakPolarHBondContact O-CB 3.47Å
523	S	90.6	Very high	93.3	Very high	66 Å²	66	66.8 Å²	66.8	46%	0.462	33%	0.333	S	S	.	.	H	α-helix	trans	-73.6	-33	178	65	0	0	0	0	112.5	N519 Y520 W521	N519-S523 PolarHBondContact O-N 2.88Å; N519-S523 PolarHBondContact O-OG 3.27Å; Y520-S523 PolarHBondContact O-N 3.48Å; Y520-S523 PolarHBondContact O-OG 2.9Å; W521-S523 PolarHBondContact O-N 3.42Å
524	H	91.3	Very high	92.9	Very high	70 Å²	70	67.8 Å²	67.8	32%	0.324	34%	0.34	S	S	.	.	H	α-helix	trans	-84.1	-17	178.5	-73.1	71.2	0	0	0	113.8	Y520 W521 F526 F527 D528	Y520-H524 AromaticContact CD2-CE1 3.49Å; Y520-H524 VanDerWaalsContact CD2-CE1 3.49Å; Y520-H524 WeakPolarHBondContact CD2-CE1 3.27Å; Y520-H524 AromaticContact CD2-ND1 3.56Å; Y520-H524 AromaticContact CE2-CE1 3.13Å; Y520-H524 WeakPolarHBondContact CE2-CE1 3.27Å; Y520-H524 AromaticContact CE2-ND1 3.43Å; Y520-H524 WeakPolarHBondContact CE2-ND1 3.39Å; Y520-H524 AromaticContact CE2-NE2 3.58Å; Y520-H524 AromaticContact CZ-CE1 3.86Å; Y520-H524 AromaticContact CZ-ND1 3.88Å; Y520-H524 WeakPolarHBondContact O-CB 3.35Å; Y520-H524 PolarHBondContact O-N 3.4Å; Y520-H524 PolarHBondContact O-ND1 3.2Å; W521-H524 PolarHBondContact O-N 3.5Å; H524-F526 PolarHBondContact O-N 3.4Å; H524-F526 VanDerWaalsContact O-N 3.1Å; H524-F527 WeakPolarHBondContact O-CA 3.24Å; H524-F527 WeakPolarHBondContact O-CB 3.44Å; H524-F527 PolarHBondContact O-N 3.33Å; H524-D528 PolarHBondContact O-N 2.85Å
525	S	91.2	Very high	92.6	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-46.5	-41.4	179.4	-79.3	0	0	0	0	114.2	W521 M522 D528 M529	W521-S525 WeakPolarHBondContact O-CB 3.36Å; W521-S525 PolarHBondContact O-N 3.42Å; W521-S525 PolarHBondContact O-OG 2.85Å; M522-S525 WeakPolarHBondContact O-CB 3.47Å; S525-D528 PolarHBondContact O-N 2.96Å; S525-M529 VanDerWaalsContact O-CG 3.31Å; S525-M529 WeakPolarHBondContact O-CG 3.48Å; S525-M529 PolarHBondContact O-N 3.46Å
526	F	91.6	Very high	92	Very high	9 Å²	9	56.9 Å²	56.9	4%	0.039	30%	0.298	C	S	.	.	H	α-helix	trans	-63.6	-43.5	177.9	172.3	-106.6	0	0	0	112	E467 Q468 L471 H524 D528 M529 V530 T535 L537	E467-F526 HydrophobicContact CB-CB 4.37Å; E467-F526 HydrophobicContact CB-CD1 4.16Å; E467-F526 HydrophobicContact CB-CG 4.09Å; Q468-F526 HydrophobicContact CB-CD2 4.31Å; Q468-F526 HydrophobicContact CB-CE2 3.54Å; Q468-F526 HydrophobicContact CB-CZ 4.07Å; Q468-F526 HydrophobicContact CG-CE2 3.86Å; Q468-F526 HydrophobicContact CG-CZ 4.26Å; L471-F526 HydrophobicContact CD1-CZ 4.19Å; H524-F526 PolarHBondContact O-N 3.4Å; H524-F526 VanDerWaalsContact O-N 3.1Å; F526-D528 VanDerWaalsContact C-N 3.32Å; F526-D528 PolarHBondContact O-N 2.89Å; F526-M529 WeakPolarHBondContact O-CB 3.32Å; F526-M529 PolarHBondContact O-N 3.41Å; F526-V530 HydrophobicContact CE1-CG2 4.11Å; F526-V530 HydrophobicContact CE2-CG2 4.07Å; F526-V530 HydrophobicContact CZ-CG2 3.83Å; F526-V530 WeakPolarHBondContact O-CG2 3.36Å; F526-V530 PolarHBondContact O-N 3.06Å; F526-T535 HydrophobicContact CE2-CG2 4.06Å; F526-L537 HydrophobicContact CE1-CD2 4.28Å; F526-L537 HydrophobicContact CZ-CD2 4.16Å
527	F	92	Very high	91.5	Very high	123 Å²	123	60.8 Å²	60.8	54%	0.539	31%	0.312	S	S	.	.	H	α-helix	trans	-67.6	-34.8	177.7	-62.5	-70.7	0	0	0	112	H524 V530 R531	H524-F527 WeakPolarHBondContact O-CA 3.24Å; H524-F527 WeakPolarHBondContact O-CB 3.44Å; H524-F527 PolarHBondContact O-N 3.33Å; F527-V530 PolarHBondContact O-N 3.32Å; F527-R531 WeakPolarHBondContact O-CB 3.48Å; F527-R531 PolarHBondContact O-N 2.9Å
528	D	93.3	Very high	91.1	Very high	36 Å²	36	63.5 Å²	63.5	19%	0.193	32%	0.323	C	S	.	.	H	α-helix	trans	-63.3	-44.1	172.5	-71.4	-28.6	0	0	0	111.2	M198 H524 S525 F526 V530 R531 L532	M198-D528 HydrophobicContact CE-CB 3.89Å; H524-D528 PolarHBondContact O-N 2.85Å; S525-D528 PolarHBondContact O-N 2.96Å; F526-D528 VanDerWaalsContact C-N 3.32Å; F526-D528 PolarHBondContact O-N 2.89Å; D528-V530 VanDerWaalsContact C-N 3.3Å; D528-V530 PolarHBondContact O-N 2.93Å; D528-R531 PolarHBondContact O-N 2.9Å; D528-L532 WeakPolarHBondContact O-CB 3.31Å; D528-L532 VanDerWaalsContact O-CG 3.26Å; D528-L532 WeakPolarHBondContact O-CG 3.34Å; D528-L532 PolarHBondContact O-N 3.37Å
529	M	93.1	Very high	90.6	Very high	2 Å²	2	66.3 Å²	66.3	1%	0.01	34%	0.338	C	S	.	.	H	α-helix	trans	-57.5	-42.9	174.2	-68.8	171.8	75.9	0	0	112	P195 M198 S525 F526 L532 G533 L534 T535	P195-M529 HydrophobicContact CB-CG 4.01Å; P195-M529 HydrophobicContact CB-SD 3.73Å; P195-M529 HydrophobicContact CG-SD 4.24Å; M198-M529 HydrophobicContact CE-CG 4.37Å; M198-M529 HydrophobicContact SD-CB 4.34Å; M198-M529 HydrophobicContact SD-CG 3.51Å; M198-M529 VanDerWaalsContact SD-CG 3.51Å; S525-M529 VanDerWaalsContact O-CG 3.31Å; S525-M529 WeakPolarHBondContact O-CG 3.48Å; S525-M529 PolarHBondContact O-N 3.46Å; F526-M529 WeakPolarHBondContact O-CB 3.32Å; F526-M529 PolarHBondContact O-N 3.41Å; M529-L532 PolarHBondContact O-N 3.37Å; M529-G533 PolarHBondContact O-N 3.01Å; M529-L534 HydrophobicContact CB-CB 4.47Å; M529-L534 PolarHBondContact O-N 3.18Å; M529-T535 WeakPolarHBondContact CE-OG1 3.38Å; M529-T535 PolarHBondContact O-N 2.94Å
530	V	93.1	Very high	90.1	Very high	33 Å²	33	64.6 Å²	64.6	20%	0.2	33%	0.329	C	S	.	.	H	α-helix	trans	-65.8	-45.9	177.4	169.7	0	0	0	0	111.3	F526 F527 D528 L532 G533 L537	F526-V530 HydrophobicContact CE1-CG2 4.11Å; F526-V530 HydrophobicContact CE2-CG2 4.07Å; F526-V530 HydrophobicContact CZ-CG2 3.83Å; F526-V530 WeakPolarHBondContact O-CG2 3.36Å; F526-V530 PolarHBondContact O-N 3.06Å; F527-V530 PolarHBondContact O-N 3.32Å; D528-V530 VanDerWaalsContact C-N 3.3Å; D528-V530 PolarHBondContact O-N 2.93Å; V530-L532 PolarHBondContact O-N 3.05Å; V530-G533 PolarHBondContact O-N 2.96Å; V530-L537 HydrophobicContact CB-CD2 4.46Å; V530-L537 HydrophobicContact CG1-CD1 3.78Å; V530-L537 HydrophobicContact CG1-CD2 3.91Å; V530-L537 HydrophobicContact CG1-CG 3.6Å; V530-L537 HydrophobicContact CG2-CD2 3.74Å; V530-L537 HydrophobicContact CG2-CG 4.17Å
531	R	92.5	Very high	89.3	Confident	195 Å²	195	59.2 Å²	59.2	74%	0.736	31%	0.309	S	S	*	.	H	α-helix	trans	-59.9	-36.9	178.6	179.2	-179.4	172.6	-171.5	-3	112	F527 D528 G533	F527-R531 WeakPolarHBondContact O-CB 3.48Å; F527-R531 PolarHBondContact O-N 2.9Å; D528-R531 PolarHBondContact O-N 2.9Å; R531-G533 VanDerWaalsContact C-N 3.26Å
532	L	91.8	Very high	88	Confident	52 Å²	52	68 Å²	68	27%	0.272	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-1.2	177.3	-63.2	-178.8	0	0	0	113.5	M198 Y200 T211 D528 M529 V530 L534	M198-L532 HydrophobicContact CB-CD1 3.7Å; M198-L532 HydrophobicContact SD-CD1 4.22Å; Y200-L532 HydrophobicContact CG-CD2 4.14Å; T211-L532 HydrophobicContact CG2-CD1 3.81Å; D528-L532 WeakPolarHBondContact O-CB 3.31Å; D528-L532 VanDerWaalsContact O-CG 3.26Å; D528-L532 WeakPolarHBondContact O-CG 3.34Å; D528-L532 PolarHBondContact O-N 3.37Å; M529-L532 PolarHBondContact O-N 3.37Å; V530-L532 PolarHBondContact O-N 3.05Å; L532-L534 HydrophobicContact CB-CD1 4.01Å; L532-L534 HydrophobicContact CB-CG 4Å; L532-L534 HydrophobicContact CD1-CD1 4.22Å; L532-L534 PolarHBondContact O-N 3.47Å
533	G	90	Very high	86.3	Confident	66 Å²	66	70.4 Å²	70.4	68%	0.68	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	12.6	-179.6	0	0	0	0	0	114.4	M529 V530 R531 T535	M529-G533 PolarHBondContact O-N 3.01Å; V530-G533 PolarHBondContact O-N 2.96Å; R531-G533 VanDerWaalsContact C-N 3.26Å; G533-T535 VanDerWaalsContact C-N 3.33Å
534	L	88	Confident	84.8	Confident	92 Å²	92	75.1 Å²	75.1	48%	0.482	38%	0.379	S	S	.	.	S	Bend	trans	-76.4	-24.5	177.6	-60.5	171.5	0	0	0	111.8	S194 M198 M529 L532	S194-L534 WeakPolarHBondContact OG-CD1 3.41Å; M198-L534 HydrophobicContact CB-CD1 4.09Å; M198-L534 HydrophobicContact CG-CD1 3.77Å; M198-L534 HydrophobicContact SD-CD1 3.72Å; M529-L534 HydrophobicContact CB-CB 4.47Å; M529-L534 PolarHBondContact O-N 3.18Å; L532-L534 HydrophobicContact CB-CD1 4.01Å; L532-L534 HydrophobicContact CB-CG 4Å; L532-L534 HydrophobicContact CD1-CD1 4.22Å; L532-L534 PolarHBondContact O-N 3.47Å
535	T	88.1	Confident	82.9	Confident	17 Å²	17	75.7 Å²	75.7	10%	0.104	40%	0.396	C	S	.	.	S	Bend	trans	-135.5	138	176.7	-60.6	0	0	0	0	110.1	Q468 F526 M529 G533	Q468-T535 HydrophobicContact CG-CG2 4.21Å; Q468-T535 VanDerWaalsContact NE2-CG2 3.32Å; F526-T535 HydrophobicContact CE2-CG2 4.06Å; M529-T535 WeakPolarHBondContact CE-OG1 3.38Å; M529-T535 PolarHBondContact O-N 2.94Å; G533-T535 VanDerWaalsContact C-N 3.33Å
536	S	85.1	Confident	80.9	Confident	46 Å²	46	84.1 Å²	84.1	32%	0.322	43%	0.429	S	S	.	.			trans	-92	142.3	178.9	67.2	0	0	0	0	112.1	K538	S536-K538 PolarHBondContact O-N 2.97Å
537	L	85.3	Confident	79.1	Confident	107 Å²	107	87.3 Å²	87.3	56%	0.56	45%	0.45	S	S	*	.	S	Bend	trans	-75.9	28.2	168.6	-63.6	173.5	0	0	0	113.2	L471 F526 V530	L471-L537 HydrophobicContact CD1-CB 4.22Å; L471-L537 HydrophobicContact CD1-CD2 3.49Å; L471-L537 VanDerWaalsContact CD1-CD2 3.49Å; L471-L537 HydrophobicContact CD1-CG 4.48Å; F526-L537 HydrophobicContact CE1-CD2 4.28Å; F526-L537 HydrophobicContact CZ-CD2 4.16Å; V530-L537 HydrophobicContact CB-CD2 4.46Å; V530-L537 HydrophobicContact CG1-CD1 3.78Å; V530-L537 HydrophobicContact CG1-CD2 3.91Å; V530-L537 HydrophobicContact CG1-CG 3.6Å; V530-L537 HydrophobicContact CG2-CD2 3.74Å; V530-L537 HydrophobicContact CG2-CG 4.17Å
538	K	85.6	Confident	77.3	Confident	149 Å²	149	86 Å²	86	65%	0.648	45%	0.454	S	S	*	.	S	Bend	trans	-95.3	148.7	-178.8	-66.6	-179.7	-179.3	177.9	0	109.7	F472 S536 L540	F472-K538 WeakPolarHBondContact CE1-O 3.42Å; S536-K538 PolarHBondContact O-N 2.97Å; K538-L540 PolarHBondContact O-N 3.49Å
539	D	84.4	Confident	75.8	Confident	61 Å²	61	87.4 Å²	87.4	33%	0.326	47%	0.466	S	S	.	.			trans	-67.8	113.4	167.5	-167.8	-6.2	0	0	0	109.3	F472 K473 S541	F472-D539 WeakPolarHBondContact CA-OD1 3.32Å; F472-D539 VanDerWaalsContact CB-OD1 3.31Å; F472-D539 WeakPolarHBondContact CB-OD1 3.49Å; F472-D539 HydrophobicContact CD1-CB 4.48Å; F472-D539 WeakPolarHBondContact CD1-OD1 3.23Å; F472-D539 WeakPolarHBondContact CG-OD1 3.29Å; K473-D539 WeakPolarHBondContact CB-OD2 3.17Å; K473-D539 PolarHBondContact N-OD2 2.92Å; D539-S541 WeakPolarHBondContact OD1-CA 3.48Å; D539-S541 WeakPolarHBondContact OD1-CB 3.49Å; D539-S541 PolarHBondContact OD1-N 2.96Å; D539-S541 PolarHBondContact OD1-OG 3.12Å; D539-S541 PolarHBondContact OD2-OG 2.74Å; D539-S541 VanDerWaalsContact OD2-OG 3.05Å
540	L	83.8	Confident	74.7	Confident	58 Å²	58	91.7 Å²	91.7	30%	0.304	49%	0.489	S	S	.	.			trans	-97.5	-5.5	175.2	-59.4	177.9	0	0	0	112	F449 F472 K538 R542	F449-L540 HydrophobicContact CD2-CD1 3.71Å; F449-L540 HydrophobicContact CE2-CD1 4.31Å; F472-L540 HydrophobicContact CE1-CB 4.07Å; F472-L540 HydrophobicContact CE1-CG 4.28Å; F472-L540 HydrophobicContact CE2-CB 4.13Å; F472-L540 HydrophobicContact CZ-CB 3.63Å; F472-L540 HydrophobicContact CZ-CD1 4.23Å; F472-L540 HydrophobicContact CZ-CG 4.05Å; K538-L540 PolarHBondContact O-N 3.49Å; L540-R542 PolarHBondContact O-N 3.49Å
541	S	78	Confident	74	Confident	12 Å²	12	93.8 Å²	93.8	8%	0.084	50%	0.498	C	S	.	.	S	Bend	trans	-55.5	131.2	158.3	80.1	0	0	0	0	105.7	D539 P543	D539-S541 WeakPolarHBondContact OD1-CA 3.48Å; D539-S541 WeakPolarHBondContact OD1-CB 3.49Å; D539-S541 PolarHBondContact OD1-N 2.96Å; D539-S541 PolarHBondContact OD1-OG 3.12Å; D539-S541 PolarHBondContact OD2-OG 2.74Å; D539-S541 VanDerWaalsContact OD2-OG 3.05Å; S541-P543 VanDerWaalsContact C-N 3.33Å; S541-P543 WeakPolarHBondContact O-CD 3.28Å
542	R	67	Low	73.4	Confident	210 Å²	210	90.8 Å²	90.8	79%	0.792	49%	0.494	S	S	*	.			trans	-87.7	82	169	-67.2	179.6	-176.6	177.1	1.3	104.3	L540 L544	L540-R542 PolarHBondContact O-N 3.49Å; R542-L544 PolarHBondContact O-N 3.45Å
543	P	57.4	Low	72.8	Confident	75 Å²	75	94 Å²	94	49%	0.487	51%	0.511	S	S	.	.			trans	-58.9	120.4	-178.3	27	-35.6	0	0	0	106.2	S541 A545	S541-P543 VanDerWaalsContact C-N 3.33Å; S541-P543 WeakPolarHBondContact O-CD 3.28Å; P543-A545 PolarHBondContact O-N 2.87Å; P543-A545 VanDerWaalsContact O-N 3.16Å
544	L	57.7	Low	72.4	Confident	164 Å²	164	91.8 Å²	91.8	86%	0.859	48%	0.484	S	S	*	.			trans	-50	129	161.6	-74.6	161.2	0	0	0	105.6	R542 Y546	R542-L544 PolarHBondContact O-N 3.45Å; L544-Y546 PolarHBondContact O-N 3.11Å
545	A	52.1	Low	72.3	Confident	83 Å²	83	90 Å²	90	69%	0.686	48%	0.475	S	S	*	.			trans	-45.9	121.4	-176.8	0	0	0	0	0	107.8	P543 T547	P543-A545 PolarHBondContact O-N 2.87Å; P543-A545 VanDerWaalsContact O-N 3.16Å; A545-T547 PolarHBondContact O-N 2.96Å
546	Y	49.6	Very low	72.2	Confident	176 Å²	176	90.7 Å²	90.7	69%	0.69	48%	0.48	S	S	*	.			trans	-51.4	106.3	179.1	173	-106	0	0	0	108.6	L544 P548	L544-Y546 PolarHBondContact O-N 3.11Å; Y546-P548 VanDerWaalsContact C-CD 3.5Å; Y546-P548 HydrophobicContact CD1-CB 4.34Å; Y546-P548 HydrophobicContact CD1-CG 3.95Å; Y546-P548 HydrophobicContact CE1-CB 3.6Å; Y546-P548 HydrophobicContact CE1-CG 3.51Å; Y546-P548 HydrophobicContact CE2-CB 4.44Å; Y546-P548 WeakPolarHBondContact O-CD 3.31Å
547	T	52.9	Low	72.2	Confident	77 Å²	77	96.1 Å²	96.1	47%	0.472	49%	0.494	S	S	.	.			trans	-103.5	89.8	171.3	51.3	0	0	0	0	107.6	A545 S549	A545-T547 PolarHBondContact O-N 2.96Å; T547-S549 PolarHBondContact O-N 3.36Å; T547-S549 VanDerWaalsContact O-N 3.08Å
548	P	54.1	Low	72.2	Confident	95 Å²	95	94.1 Å²	94.1	62%	0.617	48%	0.483	S	S	*	.			trans	-68.2	-1.7	175.6	28.4	-33.5	0	0	0	112.8	Y546	Y546-P548 VanDerWaalsContact C-CD 3.5Å; Y546-P548 HydrophobicContact CD1-CB 4.34Å; Y546-P548 HydrophobicContact CD1-CG 3.95Å; Y546-P548 HydrophobicContact CE1-CB 3.6Å; Y546-P548 HydrophobicContact CE1-CG 3.51Å; Y546-P548 HydrophobicContact CE2-CB 4.44Å; Y546-P548 WeakPolarHBondContact O-CD 3.31Å
549	S	61.9	Low	72.4	Confident	66 Å²	66	91.2 Å²	91.2	46%	0.462	47%	0.473	S	S	.	.	S	Bend	trans	-108.3	122.1	-175.6	53.6	0	0	0	0	109.8	T547 L551	T547-S549 PolarHBondContact O-N 3.36Å; T547-S549 VanDerWaalsContact O-N 3.08Å; S549-L551 PolarHBondContact O-N 3.31Å; S549-L551 VanDerWaalsContact O-N 3.12Å
550	L	69.8	Low	72.7	Confident	91 Å²	91	94.5 Å²	94.5	48%	0.476	48%	0.484	S	S	.	.			trans	-45	118.4	155.8	-86.4	136.8	0	0	0	108.4	Y295 F385 D554	Y295-L550 WeakPolarHBondContact OH-CD2 3.15Å; F385-L550 HydrophobicContact CE1-CD2 4.05Å; F385-L550 HydrophobicContact CE2-CD1 4.43Å; F385-L550 HydrophobicContact CZ-CD2 3.88Å; L550-D554 HydrophobicContact CD2-CB 4.36Å
551	L	79.3	Confident	73	Confident	77 Å²	77	95.9 Å²	95.9	40%	0.403	49%	0.491	S	S	.	.			trans	-83.3	154.6	178	-67.6	166.4	0	0	0	108.8	S549 D553 D554	S549-L551 PolarHBondContact O-N 3.31Å; S549-L551 VanDerWaalsContact O-N 3.12Å; L551-D553 HydrophobicContact CB-CB 4.41Å; L551-D553 PolarHBondContact O-N 2.91Å; L551-D554 PolarHBondContact N-OD2 3.47Å; L551-D554 WeakPolarHBondContact O-CB 3.5Å; L551-D554 PolarHBondContact O-N 2.9Å
552	M	78.8	Confident	73.6	Confident	132 Å²	132	102.2 Å²	102.2	65%	0.65	51%	0.514	S	S	*	.	H	α-helix	trans	-60.3	-27.2	172.9	-165.7	63.6	-173	0	0	111.4	D554 I555 S556 M559	M552-D554 VanDerWaalsContact C-N 3.26Å; M552-D554 PolarHBondContact O-N 3.33Å; M552-I555 PolarHBondContact O-N 3.49Å; M552-S556 PolarHBondContact O-N 3.18Å; M552-M559 HydrophobicContact CE-CE 4.49Å; M552-M559 HydrophobicContact CE-CG 4.08Å
553	D	79.6	Confident	74.9	Confident	119 Å²	119	97.3 Å²	97.3	64%	0.636	50%	0.503	S	S	*	.	H	α-helix	trans	-62.3	-31.8	173.6	-71.3	-26.1	0	0	0	112.8	L551 I555 S556	L551-D553 HydrophobicContact CB-CB 4.41Å; L551-D553 PolarHBondContact O-N 2.91Å; D553-I555 VanDerWaalsContact C-N 3.3Å; D553-I555 PolarHBondContact O-N 2.66Å; D553-S556 WeakPolarHBondContact O-CB 3.2Å; D553-S556 PolarHBondContact O-N 2.84Å
554	D	82.3	Confident	76.7	Confident	20 Å²	20	96.7 Å²	96.7	11%	0.107	50%	0.504	C	S	.	.	H	α-helix	trans	-68	-31.3	179.8	-61.7	-40.5	0	0	0	112.2	N292 L550 L551 M552	N292-D554 WeakPolarHBondContact CA-O 3.42Å; L550-D554 HydrophobicContact CD2-CB 4.36Å; L551-D554 PolarHBondContact N-OD2 3.47Å; L551-D554 WeakPolarHBondContact O-CB 3.5Å; L551-D554 PolarHBondContact O-N 2.9Å; M552-D554 VanDerWaalsContact C-N 3.26Å; M552-D554 PolarHBondContact O-N 3.33Å
555	I	86.4	Confident	78.4	Confident	56 Å²	56	91.2 Å²	91.2	29%	0.287	48%	0.482	S	S	.	.	H	α-helix	trans	-99.7	-4.2	179.4	-45.8	179.7	0	0	0	111.2	Y295 M552 D553 W557 I558 M559	Y295-I555 HydrophobicContact CE2-CG1 4.49Å; M552-I555 PolarHBondContact O-N 3.49Å; D553-I555 VanDerWaalsContact C-N 3.3Å; D553-I555 PolarHBondContact O-N 2.66Å; I555-W557 PolarHBondContact O-N 2.75Å; I555-W557 VanDerWaalsContact O-N 3.12Å; I555-I558 HydrophobicContact CG2-CB 4.09Å; I555-I558 HydrophobicContact CG2-CD1 4.3Å; I555-I558 PolarHBondContact O-N 2.97Å; I555-M559 HydrophobicContact CG2-CG 4.13Å; I555-M559 WeakPolarHBondContact O-CG 3.27Å; I555-M559 PolarHBondContact O-N 3.08Å
556	S	85.4	Confident	80.5	Confident	31 Å²	31	90.5 Å²	90.5	22%	0.217	47%	0.466	C	S	.	.	H	α-helix	trans	-52.1	-40.9	-175.8	-178.5	0	0	0	0	112.8	M552 D553 M559 K560	M552-S556 PolarHBondContact O-N 3.18Å; D553-S556 WeakPolarHBondContact O-CB 3.2Å; D553-S556 PolarHBondContact O-N 2.84Å; S556-M559 PolarHBondContact O-N 3.06Å; S556-K560 WeakPolarHBondContact O-CB 3.3Å; S556-K560 VanDerWaalsContact O-CG 3.25Å; S556-K560 WeakPolarHBondContact O-CG 3.41Å; S556-K560 PolarHBondContact O-N 3.32Å; S556-K560 WeakPolarHBondContact OG-CE 3.28Å; S556-K560 PolarHBondContact OG-NZ 3.47Å
557	W	84.1	Confident	82.6	Confident	160 Å²	160	86.3 Å²	86.3	61%	0.606	46%	0.459	S	S	*	.	H	α-helix	trans	-68.3	-42.7	-179	-158.4	72.5	0	0	0	112.4	I555 M559 K560 I561	I555-W557 PolarHBondContact O-N 2.75Å; I555-W557 VanDerWaalsContact O-N 3.12Å; W557-M559 VanDerWaalsContact C-N 3.34Å; W557-M559 PolarHBondContact O-N 3.41Å; W557-K560 PolarHBondContact O-N 3.1Å; W557-I561 HydrophobicContact CD2-CD1 3.88Å; W557-I561 HydrophobicContact CE3-CD1 3.51Å; W557-I561 HydrophobicContact CH2-CD1 3.72Å; W557-I561 HydrophobicContact CZ2-CD1 4.06Å; W557-I561 HydrophobicContact CZ3-CD1 3.43Å; W557-I561 VanDerWaalsContact CZ3-CD1 3.43Å; W557-I561 WeakPolarHBondContact O-CG1 3.26Å; W557-I561 PolarHBondContact O-N 2.98Å
558	I	87.1	Confident	84.6	Confident	65 Å²	65	87.7 Å²	87.7	33%	0.333	46%	0.463	S	S	.	.	H	α-helix	trans	-61.8	-44.4	174.8	-63.1	171.3	0	0	0	110.1	Y295 I555 K560 I561 Y562	Y295-I558 HydrophobicContact CD1-CD1 3.67Å; Y295-I558 HydrophobicContact CD2-CD1 3.93Å; Y295-I558 HydrophobicContact CE1-CD1 4.04Å; Y295-I558 HydrophobicContact CE2-CD1 4.29Å; Y295-I558 HydrophobicContact CG-CD1 3.59Å; I555-I558 HydrophobicContact CG2-CB 4.09Å; I555-I558 HydrophobicContact CG2-CD1 4.3Å; I555-I558 PolarHBondContact O-N 2.97Å; I558-K560 VanDerWaalsContact C-N 3.34Å; I558-K560 PolarHBondContact O-N 3.34Å; I558-I561 PolarHBondContact O-N 2.97Å; I558-Y562 WeakPolarHBondContact O-CB 3.46Å; I558-Y562 PolarHBondContact O-N 3.24Å
559	M	88.8	Confident	86.5	Confident	88 Å²	88	87.4 Å²	87.4	43%	0.433	46%	0.462	S	S	.	.	H	α-helix	trans	-64.1	-37.5	178.6	-67.9	-59	-70.2	0	0	112.4	M552 I555 S556 W557 Y562 L563	M552-M559 HydrophobicContact CE-CE 4.49Å; M552-M559 HydrophobicContact CE-CG 4.08Å; I555-M559 HydrophobicContact CG2-CG 4.13Å; I555-M559 WeakPolarHBondContact O-CG 3.27Å; I555-M559 PolarHBondContact O-N 3.08Å; S556-M559 PolarHBondContact O-N 3.06Å; W557-M559 VanDerWaalsContact C-N 3.34Å; W557-M559 PolarHBondContact O-N 3.41Å; M559-Y562 PolarHBondContact O-N 3.31Å; M559-L563 WeakPolarHBondContact O-CB 3.34Å; M559-L563 PolarHBondContact O-N 3.36Å
560	K	89.9	Confident	88	Confident	129 Å²	129	88 Å²	88	56%	0.561	46%	0.462	S	S	*	.	H	α-helix	trans	-64	-43.7	174.2	-75.1	164.9	-177.7	165.8	0	111.8	S556 W557 I558 L563 A564	S556-K560 WeakPolarHBondContact O-CB 3.3Å; S556-K560 VanDerWaalsContact O-CG 3.25Å; S556-K560 WeakPolarHBondContact O-CG 3.41Å; S556-K560 PolarHBondContact O-N 3.32Å; S556-K560 WeakPolarHBondContact OG-CE 3.28Å; S556-K560 PolarHBondContact OG-NZ 3.47Å; W557-K560 PolarHBondContact O-N 3.1Å; I558-K560 VanDerWaalsContact C-N 3.34Å; I558-K560 PolarHBondContact O-N 3.34Å; K560-L563 PolarHBondContact O-N 2.95Å; K560-A564 WeakPolarHBondContact O-CB 3.33Å; K560-A564 PolarHBondContact O-N 3.46Å
561	I	90	Very high	89.2	Confident	87 Å²	87	89.2 Å²	89.2	45%	0.446	46%	0.464	S	S	.	.	H	α-helix	trans	-62.8	-45	176.1	-68.6	169.7	0	0	0	110.4	W557 I558 L563 A564 A565	W557-I561 HydrophobicContact CD2-CD1 3.88Å; W557-I561 HydrophobicContact CE3-CD1 3.51Å; W557-I561 HydrophobicContact CH2-CD1 3.72Å; W557-I561 HydrophobicContact CZ2-CD1 4.06Å; W557-I561 HydrophobicContact CZ3-CD1 3.43Å; W557-I561 VanDerWaalsContact CZ3-CD1 3.43Å; W557-I561 WeakPolarHBondContact O-CG1 3.26Å; W557-I561 PolarHBondContact O-N 2.98Å; I558-I561 PolarHBondContact O-N 2.97Å; I561-L563 PolarHBondContact O-N 2.89Å; I561-A564 PolarHBondContact O-N 3.43Å; I561-A565 WeakPolarHBondContact O-CB 3.45Å; I561-A565 PolarHBondContact O-N 3.23Å
562	Y	92	Very high	89.8	Confident	146 Å²	146	88.2 Å²	88.2	57%	0.573	46%	0.463	S	S	*	.	H	α-helix	trans	-59.7	-46.2	176.7	178.3	-108.9	0	0	0	112.1	I558 M559 A565 I566	I558-Y562 WeakPolarHBondContact O-CB 3.46Å; I558-Y562 PolarHBondContact O-N 3.24Å; M559-Y562 PolarHBondContact O-N 3.31Å; Y562-A565 PolarHBondContact O-N 3.05Å; Y562-I566 HydrophobicContact CD1-CD1 3.84Å; Y562-I566 HydrophobicContact CE1-CD1 3.28Å; Y562-I566 HydrophobicContact CE1-CG1 4.37Å; Y562-I566 HydrophobicContact CE2-CD1 4.07Å; Y562-I566 HydrophobicContact CE2-CG1 4.42Å; Y562-I566 HydrophobicContact CG-CD1 4.45Å; Y562-I566 VanDerWaalsContact CZ-CD1 3.42Å; Y562-I566 WeakPolarHBondContact O-CG1 3.07Å; Y562-I566 PolarHBondContact O-N 3.46Å
563	L	94.4	Very high	90.5	Very high	107 Å²	107	87.8 Å²	87.8	56%	0.56	46%	0.458	S	S	*	.	H	α-helix	trans	-61.5	-45.6	176.4	-178.1	65.4	0	0	0	111.6	M559 K560 I561 A565 I566 V567	M559-L563 WeakPolarHBondContact O-CB 3.34Å; M559-L563 PolarHBondContact O-N 3.36Å; K560-L563 PolarHBondContact O-N 2.95Å; I561-L563 PolarHBondContact O-N 2.89Å; L563-A565 VanDerWaalsContact C-N 3.31Å; L563-A565 PolarHBondContact O-N 3.21Å; L563-I566 PolarHBondContact O-N 3.3Å; L563-V567 WeakPolarHBondContact O-CG2 3.39Å; L563-V567 PolarHBondContact O-N 3.48Å
564	A	95	Very high	91.2	Very high	61 Å²	61	87.1 Å²	87.1	50%	0.504	45%	0.453	S	S	.	.	H	α-helix	trans	-60.2	-41.3	176.9	0	0	0	0	0	111.9	K560 I561 V567 L568	K560-A564 WeakPolarHBondContact O-CB 3.33Å; K560-A564 PolarHBondContact O-N 3.46Å; I561-A564 PolarHBondContact O-N 3.43Å; A564-V567 PolarHBondContact O-N 3.12Å; A564-L568 WeakPolarHBondContact O-CB 3.17Å; A564-L568 PolarHBondContact O-N 3.13Å
565	A	93.4	Very high	91.6	Very high	49 Å²	49	90.5 Å²	90.5	41%	0.405	47%	0.471	S	S	.	.	H	α-helix	trans	-63.9	-42.9	176.1	0	0	0	0	0	112.1	I561 Y562 L563 L568 C569	I561-A565 WeakPolarHBondContact O-CB 3.45Å; I561-A565 PolarHBondContact O-N 3.23Å; Y562-A565 PolarHBondContact O-N 3.05Å; L563-A565 VanDerWaalsContact C-N 3.31Å; L563-A565 PolarHBondContact O-N 3.21Å; A565-L568 WeakPolarHBondContact O-CB 3.25Å; A565-L568 PolarHBondContact O-N 2.95Å; A565-C569 PolarHBondContact O-N 3.33Å; A565-C569 PolarHBondContact O-SG 2.97Å
566	I	94.9	Very high	92	Very high	68 Å²	68	94 Å²	94	35%	0.349	49%	0.486	S	S	.	.	H	α-helix	trans	-60.2	-47.8	174.9	-72	172	0	0	0	110.9	Y562 L563 L568 C569 V570	Y562-I566 HydrophobicContact CD1-CD1 3.84Å; Y562-I566 HydrophobicContact CE1-CD1 3.28Å; Y562-I566 HydrophobicContact CE1-CG1 4.37Å; Y562-I566 HydrophobicContact CE2-CD1 4.07Å; Y562-I566 HydrophobicContact CE2-CG1 4.42Å; Y562-I566 HydrophobicContact CG-CD1 4.45Å; Y562-I566 VanDerWaalsContact CZ-CD1 3.42Å; Y562-I566 WeakPolarHBondContact O-CG1 3.07Å; Y562-I566 PolarHBondContact O-N 3.46Å; L563-I566 PolarHBondContact O-N 3.3Å; I566-L568 VanDerWaalsContact C-N 3.26Å; I566-L568 PolarHBondContact O-N 2.96Å; I566-C569 WeakPolarHBondContact O-CB 3.16Å; I566-C569 PolarHBondContact O-N 3.3Å; I566-C569 VanDerWaalsContact O-N 3.15Å; I566-V570 HydrophobicContact CG2-CG2 4.32Å; I566-V570 WeakPolarHBondContact O-CG2 3.42Å; I566-V570 PolarHBondContact O-N 2.87Å
567	V	95.6	Very high	92.3	Very high	88 Å²	88	95.6 Å²	95.6	53%	0.533	49%	0.492	S	S	.	.	H	α-helix	trans	-59.1	-42.3	179.6	171.4	0	0	0	0	110.4	L563 A564 V570 F571	L563-V567 WeakPolarHBondContact O-CG2 3.39Å; L563-V567 PolarHBondContact O-N 3.48Å; A564-V567 PolarHBondContact O-N 3.12Å; V567-V570 PolarHBondContact O-N 2.94Å; V567-F571 WeakPolarHBondContact O-CB 3.45Å; V567-F571 PolarHBondContact O-N 3.35Å
568	L	94.6	Very high	92.6	Very high	107 Å²	107	89.8 Å²	89.8	56%	0.56	48%	0.482	S	S	*	.	H	α-helix	trans	-62.2	-45.1	175	-176.9	64.8	0	0	0	112	A564 A565 I566 V570 F571 C572	A564-L568 WeakPolarHBondContact O-CB 3.17Å; A564-L568 PolarHBondContact O-N 3.13Å; A565-L568 WeakPolarHBondContact O-CB 3.25Å; A565-L568 PolarHBondContact O-N 2.95Å; I566-L568 VanDerWaalsContact C-N 3.26Å; I566-L568 PolarHBondContact O-N 2.96Å; L568-V570 PolarHBondContact O-N 2.93Å; L568-F571 PolarHBondContact O-N 3.34Å; L568-C572 PolarHBondContact O-N 3.48Å; L568-C572 PolarHBondContact O-SG 2.62Å; L568-C572 VanDerWaalsContact O-SG 3.35Å
569	C	92.7	Very high	92.7	Very high	89 Å²	89	90.3 Å²	90.3	60%	0.601	49%	0.488	S	S	*	.	H	α-helix	trans	-60.1	-44.6	176.5	-70.2	0	0	0	0	112.1	A565 I566 F571 C572 F573	A565-C569 PolarHBondContact O-N 3.33Å; A565-C569 PolarHBondContact O-SG 2.97Å; I566-C569 WeakPolarHBondContact O-CB 3.16Å; I566-C569 PolarHBondContact O-N 3.3Å; I566-C569 VanDerWaalsContact O-N 3.15Å; C569-F571 VanDerWaalsContact C-N 3.33Å; C569-F571 PolarHBondContact O-N 3.16Å; C569-C572 PolarHBondContact O-N 2.9Å; C569-F573 WeakPolarHBondContact O-CB 3.34Å; C569-F573 PolarHBondContact O-N 3.26Å
570	V	94.8	Very high	92.6	Very high	77 Å²	77	89.3 Å²	89.3	47%	0.467	48%	0.484	S	S	.	.	H	α-helix	trans	-62.3	-42.5	176.5	172.6	0	0	0	0	110.6	I566 V567 L568 F573 L574	I566-V570 HydrophobicContact CG2-CG2 4.32Å; I566-V570 WeakPolarHBondContact O-CG2 3.42Å; I566-V570 PolarHBondContact O-N 2.87Å; V567-V570 PolarHBondContact O-N 2.94Å; L568-V570 PolarHBondContact O-N 2.93Å; V570-F573 PolarHBondContact O-N 3.42Å; V570-L574 HydrophobicContact CG1-CD1 4.18Å; V570-L574 WeakPolarHBondContact O-CG 3.4Å; V570-L574 PolarHBondContact O-N 2.85Å
571	F	94.4	Very high	92.5	Very high	117 Å²	117	90.1 Å²	90.1	51%	0.513	49%	0.487	S	S	.	.	H	α-helix	trans	-62.9	-47	177.6	-177.4	-105.5	0	0	0	112.2	V567 L568 C569 F573 L574 L575	V567-F571 WeakPolarHBondContact O-CB 3.45Å; V567-F571 PolarHBondContact O-N 3.35Å; L568-F571 PolarHBondContact O-N 3.34Å; C569-F571 VanDerWaalsContact C-N 3.33Å; C569-F571 PolarHBondContact O-N 3.16Å; F571-F573 VanDerWaalsContact C-N 3.32Å; F571-F573 PolarHBondContact O-N 3.44Å; F571-L574 PolarHBondContact O-N 3.05Å; F571-L575 HydrophobicContact CD1-CD1 3.85Å; F571-L575 HydrophobicContact CD1-CG 4.38Å; F571-L575 HydrophobicContact CE1-CD1 3.37Å; F571-L575 HydrophobicContact CE1-CG 4.06Å; F571-L575 HydrophobicContact CZ-CD1 3.84Å; F571-L575 HydrophobicContact CZ-CD2 4.27Å; F571-L575 HydrophobicContact CZ-CG 4.13Å; F571-L575 WeakPolarHBondContact O-CG 3.26Å; F571-L575 PolarHBondContact O-N 3.5Å
572	C	91.9	Very high	92.1	Very high	56 Å²	56	93.7 Å²	93.7	38%	0.378	50%	0.496	S	S	.	.	H	α-helix	trans	-58.1	-43.7	174.9	-70.4	0	0	0	0	111.8	L568 C569 L574 L575 E576	L568-C572 PolarHBondContact O-N 3.48Å; L568-C572 PolarHBondContact O-SG 2.62Å; L568-C572 VanDerWaalsContact O-SG 3.35Å; C569-C572 PolarHBondContact O-N 2.9Å; C572-L574 PolarHBondContact O-N 3.39Å; C572-L575 WeakPolarHBondContact O-CB 3.44Å; C572-L575 PolarHBondContact O-N 2.9Å; C572-E576 WeakPolarHBondContact O-CG 3.19Å; C572-E576 PolarHBondContact O-N 3.47Å
573	F	93.3	Very high	91.7	Very high	124 Å²	124	93.4 Å²	93.4	54%	0.544	50%	0.497	S	S	.	.	H	α-helix	trans	-62.7	-42	177.5	-180	-109.3	0	0	0	112.8	C569 V570 F571 L575 E576 I577	C569-F573 WeakPolarHBondContact O-CB 3.34Å; C569-F573 PolarHBondContact O-N 3.26Å; V570-F573 PolarHBondContact O-N 3.42Å; F571-F573 VanDerWaalsContact C-N 3.32Å; F571-F573 PolarHBondContact O-N 3.44Å; F573-L575 VanDerWaalsContact C-N 3.34Å; F573-L575 PolarHBondContact O-N 3.44Å; F573-E576 PolarHBondContact O-N 3.5Å; F573-I577 HydrophobicContact CD1-CD1 3.9Å; F573-I577 HydrophobicContact CE1-CD1 3.38Å; F573-I577 HydrophobicContact CE2-CD1 4.17Å; F573-I577 HydrophobicContact CG-CD1 4.5Å; F573-I577 HydrophobicContact CZ-CD1 3.55Å; F573-I577 HydrophobicContact CZ-CG1 4.39Å; F573-I577 WeakPolarHBondContact O-CG1 3.37Å; F573-I577 PolarHBondContact O-N 3.39Å; F573-I577 VanDerWaalsContact O-N 3.08Å
574	L	93.6	Very high	91	Very high	104 Å²	104	95.6 Å²	95.6	55%	0.545	50%	0.498	S	S	.	.	H	α-helix	trans	-64.5	-38.7	175.2	-70.8	174.8	0	0	0	112	V570 F571 C572 I577 G578	V570-L574 HydrophobicContact CG1-CD1 4.18Å; V570-L574 WeakPolarHBondContact O-CG 3.4Å; V570-L574 PolarHBondContact O-N 2.85Å; F571-L574 PolarHBondContact O-N 3.05Å; C572-L574 PolarHBondContact O-N 3.39Å; L574-I577 PolarHBondContact O-N 3.1Å; L574-G578 PolarHBondContact O-N 2.96Å
575	L	92.6	Very high	90.1	Very high	91 Å²	91	98.9 Å²	98.9	48%	0.476	50%	0.498	S	S	.	.	H	α-helix	trans	-63.8	-43.5	174.2	-74	179.2	0	0	0	111.9	F571 C572 F573 I577 G578 V579	F571-L575 HydrophobicContact CD1-CD1 3.85Å; F571-L575 HydrophobicContact CD1-CG 4.38Å; F571-L575 HydrophobicContact CE1-CD1 3.37Å; F571-L575 HydrophobicContact CE1-CG 4.06Å; F571-L575 HydrophobicContact CZ-CD1 3.84Å; F571-L575 HydrophobicContact CZ-CD2 4.27Å; F571-L575 HydrophobicContact CZ-CG 4.13Å; F571-L575 WeakPolarHBondContact O-CG 3.26Å; F571-L575 PolarHBondContact O-N 3.5Å; C572-L575 WeakPolarHBondContact O-CB 3.44Å; C572-L575 PolarHBondContact O-N 2.9Å; F573-L575 VanDerWaalsContact C-N 3.34Å; F573-L575 PolarHBondContact O-N 3.44Å; L575-I577 PolarHBondContact O-N 2.98Å; L575-G578 PolarHBondContact O-N 2.8Å; L575-V579 WeakPolarHBondContact O-CB 3.26Å; L575-V579 VanDerWaalsContact O-CG2 3.3Å; L575-V579 WeakPolarHBondContact O-CG2 3.47Å; L575-V579 PolarHBondContact O-N 3.33Å
576	E	93.3	Very high	89.2	Confident	130 Å²	130	99.3 Å²	99.3	61%	0.607	49%	0.492	S	S	*	.	H	α-helix	trans	-59.2	-45.7	176.6	-75.3	179.5	-178.5	0	0	111.6	C572 F573 G578 V579 D580	C572-E576 WeakPolarHBondContact O-CG 3.19Å; C572-E576 PolarHBondContact O-N 3.47Å; F573-E576 PolarHBondContact O-N 3.5Å; E576-G578 VanDerWaalsContact C-N 3.34Å; E576-G578 PolarHBondContact O-N 3.28Å; E576-V579 PolarHBondContact O-N 2.9Å; E576-D580 WeakPolarHBondContact O-CB 3.48Å; E576-D580 PolarHBondContact O-N 3.38Å
577	I	92.3	Very high	88.3	Confident	65 Å²	65	103.3 Å²	103.3	33%	0.333	51%	0.507	S	S	.	.	H	α-helix	trans	-62.7	-42.6	174.8	-68	170.6	0	0	0	111	F573 L574 L575 D580 K581	F573-I577 HydrophobicContact CD1-CD1 3.9Å; F573-I577 HydrophobicContact CE1-CD1 3.38Å; F573-I577 HydrophobicContact CE2-CD1 4.17Å; F573-I577 HydrophobicContact CG-CD1 4.5Å; F573-I577 HydrophobicContact CZ-CD1 3.55Å; F573-I577 HydrophobicContact CZ-CG1 4.39Å; F573-I577 WeakPolarHBondContact O-CG1 3.37Å; F573-I577 PolarHBondContact O-N 3.39Å; F573-I577 VanDerWaalsContact O-N 3.08Å; L574-I577 PolarHBondContact O-N 3.1Å; L575-I577 PolarHBondContact O-N 2.98Å; I577-D580 PolarHBondContact O-N 3.29Å; I577-K581 HydrophobicContact CG2-CD 4.11Å; I577-K581 HydrophobicContact CG2-CG 4.36Å; I577-K581 WeakPolarHBondContact O-CB 3.42Å; I577-K581 WeakPolarHBondContact O-CG 3.39Å; I577-K581 PolarHBondContact O-N 3.33Å
578	G	90.1	Very high	87	Confident	38 Å²	38	106.1 Å²	106.1	39%	0.392	51%	0.512	S	S	.	.	H	α-helix	trans	-61.1	-47.1	178.4	0	0	0	0	0	112	L574 L575 E576 K581 W582	L574-G578 PolarHBondContact O-N 2.96Å; L575-G578 PolarHBondContact O-N 2.8Å; E576-G578 VanDerWaalsContact C-N 3.34Å; E576-G578 PolarHBondContact O-N 3.28Å; G578-K581 PolarHBondContact O-N 2.96Å; G578-W582 VanDerWaalsContact O-CB 3.28Å; G578-W582 WeakPolarHBondContact O-CB 3.32Å; G578-W582 PolarHBondContact O-N 3.46Å
579	V	90.1	Very high	85.6	Confident	76 Å²	76	106.1 Å²	106.1	46%	0.461	51%	0.505	S	S	.	.	H	α-helix	trans	-64.2	-41.6	177.1	171.2	0	0	0	0	111.1	L575 E576 W582 K583	L575-V579 WeakPolarHBondContact O-CB 3.26Å; L575-V579 VanDerWaalsContact O-CG2 3.3Å; L575-V579 WeakPolarHBondContact O-CG2 3.47Å; L575-V579 PolarHBondContact O-N 3.33Å; E576-V579 PolarHBondContact O-N 2.9Å; V579-W582 PolarHBondContact O-N 2.87Å; V579-K583 HydrophobicContact CG1-CD 4.25Å; V579-K583 WeakPolarHBondContact O-CB 3.46Å; V579-K583 WeakPolarHBondContact O-CG 3.29Å; V579-K583 PolarHBondContact O-N 3.05Å
580	D	87.1	Confident	84.1	Confident	67 Å²	67	106 Å²	106	36%	0.358	50%	0.498	S	S	.	.	H	α-helix	trans	-68.1	-43.2	178.4	-170.3	36.2	0	0	0	111.7	E576 I577 W582 K583 R584	E576-D580 WeakPolarHBondContact O-CB 3.48Å; E576-D580 PolarHBondContact O-N 3.38Å; I577-D580 PolarHBondContact O-N 3.29Å; D580-W582 VanDerWaalsContact C-N 3.33Å; D580-W582 PolarHBondContact O-N 2.66Å; D580-K583 PolarHBondContact O-N 3.4Å; D580-R584 WeakPolarHBondContact O-CB 2.86Å; D580-R584 VanDerWaalsContact O-CG 3.31Å; D580-R584 WeakPolarHBondContact O-CG 3.36Å; D580-R584 PolarHBondContact O-N 3.29Å; D580-R584 IonicContact OD1-NE 2.86Å; D580-R584 IonicContact OD2-CZ 3.64Å; D580-R584 IonicContact OD2-NE 3.21Å; D580-R584 PolarHBondContact OD2-NE 3.04Å; D580-R584 VanDerWaalsContact OD2-NE 3.08Å; D580-R584 IonicContact OD2-NH2 2.98Å; D580-R584 PolarHBondContact OD2-NH2 2.92Å
581	K	86	Confident	82.5	Confident	145 Å²	145	106.9 Å²	106.9	63%	0.63	50%	0.499	S	S	*	.	H	α-helix	trans	-60.7	-41.6	172.2	-77.5	-175.4	178.2	-178.8	0	112	I577 G578 R584 W585	I577-K581 HydrophobicContact CG2-CD 4.11Å; I577-K581 HydrophobicContact CG2-CG 4.36Å; I577-K581 WeakPolarHBondContact O-CB 3.42Å; I577-K581 WeakPolarHBondContact O-CG 3.39Å; I577-K581 PolarHBondContact O-N 3.33Å; G578-K581 PolarHBondContact O-N 2.96Å; K581-R584 PolarHBondContact O-N 3.37Å; K581-W585 WeakPolarHBondContact O-CB 3.37Å; K581-W585 PolarHBondContact O-N 3.17Å
582	W	83	Confident	80.7	Confident	163 Å²	163	108 Å²	108	62%	0.617	51%	0.506	S	S	*	.	H	α-helix	trans	-63.7	-45.6	176.1	-176.6	-91.1	0	0	0	112.1	G578 V579 D580 R584 W585 M586	G578-W582 VanDerWaalsContact O-CB 3.28Å; G578-W582 WeakPolarHBondContact O-CB 3.32Å; G578-W582 PolarHBondContact O-N 3.46Å; V579-W582 PolarHBondContact O-N 2.87Å; D580-W582 VanDerWaalsContact C-N 3.33Å; D580-W582 PolarHBondContact O-N 2.66Å; W582-R584 PolarHBondContact O-N 3.44Å; W582-W585 HydrophobicContact CH2-CZ3 4.31Å; W582-W585 HydrophobicContact CZ3-CZ3 4.49Å; W582-W585 PolarHBondContact O-N 3.11Å; W582-M586 WeakPolarHBondContact O-CB 3.43Å; W582-M586 WeakPolarHBondContact O-CG 3.32Å; W582-M586 PolarHBondContact O-N 3.3Å
583	K	82.4	Confident	79.1	Confident	140 Å²	140	110 Å²	110	61%	0.609	51%	0.512	S	S	*	.	H	α-helix	trans	-60.9	-42.7	175.1	-79	179.7	179.6	177.1	0	111.7	V579 D580 K587	V579-K583 HydrophobicContact CG1-CD 4.25Å; V579-K583 WeakPolarHBondContact O-CB 3.46Å; V579-K583 WeakPolarHBondContact O-CG 3.29Å; V579-K583 PolarHBondContact O-N 3.05Å; D580-K583 PolarHBondContact O-N 3.4Å; K583-K587 WeakPolarHBondContact O-CB 3.32Å; K583-K587 PolarHBondContact O-N 3.07Å
584	R	79.5	Confident	77.2	Confident	152 Å²	152	110.6 Å²	110.6	57%	0.574	52%	0.52	S	S	*	.	H	α-helix	trans	-64.6	-44.7	175.4	-70.2	179.2	-160.2	-163.8	5.6	111.6	D580 K581 W582 K587 F588	D580-R584 WeakPolarHBondContact O-CB 2.86Å; D580-R584 VanDerWaalsContact O-CG 3.31Å; D580-R584 WeakPolarHBondContact O-CG 3.36Å; D580-R584 PolarHBondContact O-N 3.29Å; D580-R584 IonicContact OD1-NE 2.86Å; D580-R584 IonicContact OD2-CZ 3.64Å; D580-R584 IonicContact OD2-NE 3.21Å; D580-R584 PolarHBondContact OD2-NE 3.04Å; D580-R584 VanDerWaalsContact OD2-NE 3.08Å; D580-R584 IonicContact OD2-NH2 2.98Å; D580-R584 PolarHBondContact OD2-NH2 2.92Å; K581-R584 PolarHBondContact O-N 3.37Å; W582-R584 PolarHBondContact O-N 3.44Å; R584-K587 PolarHBondContact O-N 2.89Å; R584-F588 WeakPolarHBondContact O-CD2 3.41Å; R584-F588 PolarHBondContact O-N 3.37Å
585	W	77.9	Confident	75.3	Confident	131 Å²	131	112.5 Å²	112.5	50%	0.496	53%	0.531	S	S	.	.	H	α-helix	trans	-61.5	-45.1	176.5	-178.4	78.5	0	0	0	112.2	K581 W582 K587 F588 R589	K581-W585 WeakPolarHBondContact O-CB 3.37Å; K581-W585 PolarHBondContact O-N 3.17Å; W582-W585 HydrophobicContact CH2-CZ3 4.31Å; W582-W585 HydrophobicContact CZ3-CZ3 4.49Å; W582-W585 PolarHBondContact O-N 3.11Å; W585-K587 VanDerWaalsContact C-N 3.31Å; W585-K587 PolarHBondContact O-N 3.39Å; W585-F588 PolarHBondContact O-N 3.33Å; W585-R589 WeakPolarHBondContact O-CB 3.38Å; W585-R589 PolarHBondContact O-N 3.42Å
586	M	73.9	Confident	73.4	Confident	57 Å²	57	113.7 Å²	113.7	28%	0.281	54%	0.542	S	S	.	.	H	α-helix	trans	-60.7	-38.6	173.7	-77.3	-69.6	-71.1	0	0	112.3	W582 R589 N590	W582-M586 WeakPolarHBondContact O-CB 3.43Å; W582-M586 WeakPolarHBondContact O-CG 3.32Å; W582-M586 PolarHBondContact O-N 3.3Å; M586-R589 PolarHBondContact O-N 2.92Å; M586-R589 PolarHBondContact SD-NH2 3.5Å; M586-R589 VanDerWaalsContact SD-NH2 3.4Å; M586-N590 WeakPolarHBondContact O-CB 3.48Å; M586-N590 VanDerWaalsContact O-CG 3.29Å; M586-N590 PolarHBondContact O-N 3.29Å
587	K	75.1	Confident	71.2	Confident	153 Å²	153	116.1 Å²	116.1	67%	0.665	57%	0.572	S	S	*	*	H	α-helix	trans	-68.2	-40.6	176.6	-160.7	175.7	-176.2	-178.4	0	112	K583 R584 W585 N590 L591	K583-K587 WeakPolarHBondContact O-CB 3.32Å; K583-K587 PolarHBondContact O-N 3.07Å; R584-K587 PolarHBondContact O-N 2.89Å; W585-K587 VanDerWaalsContact C-N 3.31Å; W585-K587 PolarHBondContact O-N 3.39Å; K587-N590 PolarHBondContact O-N 3.13Å; K587-L591 HydrophobicContact CG-CD1 4.45Å; K587-L591 WeakPolarHBondContact O-CD1 3.23Å; K587-L591 PolarHBondContact O-N 3.03Å
588	F	68.2	Low	70.1	Confident	146 Å²	146	118.7 Å²	118.7	64%	0.64	58%	0.584	S	S	*	*	H	α-helix	trans	-65	-40.9	173.3	-90.7	-75.4	0	0	0	112.5	R584 W585 L591 Q592	R584-F588 WeakPolarHBondContact O-CD2 3.41Å; R584-F588 PolarHBondContact O-N 3.37Å; W585-F588 PolarHBondContact O-N 3.33Å; F588-L591 PolarHBondContact O-N 3.46Å; F588-Q592 PolarHBondContact O-N 2.95Å
589	R	66.1	Low	69.1	Low	108 Å²	108	122.9 Å²	122.9	41%	0.408	59%	0.594	S	S	.	*	H	α-helix	trans	-62.9	-41.8	175.7	-164.7	176.6	74.6	173.4	5.7	112	W585 M586 Q592 I593	W585-R589 WeakPolarHBondContact O-CB 3.38Å; W585-R589 PolarHBondContact O-N 3.42Å; M586-R589 PolarHBondContact O-N 2.92Å; M586-R589 PolarHBondContact SD-NH2 3.5Å; M586-R589 VanDerWaalsContact SD-NH2 3.4Å; R589-Q592 PolarHBondContact O-N 3.01Å; R589-I593 WeakPolarHBondContact O-CD1 3.48Å; R589-I593 WeakPolarHBondContact O-CG1 3.35Å; R589-I593 PolarHBondContact O-N 3.29Å
590	N	61.9	Low	67.9	Low	87 Å²	87	125.6 Å²	125.6	47%	0.465	60%	0.601	S	S	.	*	H	α-helix	trans	-69.5	-30.5	176.6	-71.1	-7	0	0	0	112.9	M586 K587 L594	M586-N590 WeakPolarHBondContact O-CB 3.48Å; M586-N590 VanDerWaalsContact O-CG 3.29Å; M586-N590 PolarHBondContact O-N 3.29Å; K587-N590 PolarHBondContact O-N 3.13Å; N590-L594 PolarHBondContact O-N 3.21Å
591	L	59.4	Low	66.8	Low	94 Å²	94	129 Å²	129	49%	0.492	62%	0.615	S	S	.	*	H	α-helix	trans	-73	-35	173.6	-84.6	157	0	0	0	112.8	K587 F588 I593 L594 N595	K587-L591 HydrophobicContact CG-CD1 4.45Å; K587-L591 WeakPolarHBondContact O-CD1 3.23Å; K587-L591 PolarHBondContact O-N 3.03Å; F588-L591 PolarHBondContact O-N 3.46Å; L591-I593 VanDerWaalsContact C-N 3.34Å; L591-L594 PolarHBondContact O-N 3.48Å; L591-N595 PolarHBondContact O-N 3.42Å
592	Q	57.9	Low	65.6	Low	141 Å²	141	128 Å²	128	66%	0.659	61%	0.614	S	S	*	*	H	α-helix	trans	-65.7	-36.2	173.3	-90.2	178.9	-40.2	0	0	112.6	F588 R589 L594 N595 T596	F588-Q592 PolarHBondContact O-N 2.95Å; R589-Q592 PolarHBondContact O-N 3.01Å; Q592-L594 VanDerWaalsContact C-N 3.32Å; Q592-L594 PolarHBondContact O-N 3.22Å; Q592-N595 PolarHBondContact O-N 3.13Å; Q592-T596 PolarHBondContact O-OG1 3.23Å
593	I	57.2	Low	64.4	Low	99 Å²	99	125.7 Å²	125.7	51%	0.508	61%	0.614	S	S	.	*	H	α-helix	trans	-69	-30.7	177.1	-65	163.7	0	0	0	111.6	R589 L591 T596	R589-I593 WeakPolarHBondContact O-CD1 3.48Å; R589-I593 WeakPolarHBondContact O-CG1 3.35Å; R589-I593 PolarHBondContact O-N 3.29Å; L591-I593 VanDerWaalsContact C-N 3.34Å; I593-T596 PolarHBondContact O-OG1 3.29Å; I593-T596 VanDerWaalsContact O-OG1 3.14Å
594	L	54.1	Low	63.1	Low	135 Å²	135	124.6 Å²	124.6	71%	0.707	62%	0.615	S	S	*	*	H	α-helix	trans	-76.1	-24.1	177.2	-123.3	90.9	0	0	0	114	N590 L591 Q592	N590-L594 PolarHBondContact O-N 3.21Å; L591-L594 PolarHBondContact O-N 3.48Å; Q592-L594 VanDerWaalsContact C-N 3.32Å; Q592-L594 PolarHBondContact O-N 3.22Å
595	N	52.7	Low	61.9	Low	144 Å²	144	122.5 Å²	122.5	77%	0.77	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-0.1	178.1	-79.7	-10	0	0	0	113.5	L591 Q592	L591-N595 PolarHBondContact O-N 3.42Å; Q592-N595 PolarHBondContact O-N 3.13Å
596	T	52.9	Low	60.5	Low	117 Å²	117	121.8 Å²	121.8	72%	0.718	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111	13.2	177.5	46.6	0	0	0	0	113.7	Q592 I593	Q592-T596 PolarHBondContact O-OG1 3.23Å; I593-T596 PolarHBondContact O-OG1 3.29Å; I593-T596 VanDerWaalsContact O-OG1 3.14Å
597	C	47.3	Very low	59.3	Low	181 Å²	181	127.7 Å²	127.7	100%	1.223	66%	0.66	S	S	*	*			trans	-105.6	0	169.7	-85	0	0	0	0	111.1

Retrieved 597 of 597 residues in 1046.3 ms (Link to these results)

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