A0A3Q0KBW8_SCHMA Loading...

Heterogeneous nuclear ribonucleoprotein l (Hnrnp l), putative

AlphaFold DB , UniProt , Accession A0A3Q0KBW8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 710 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	34.3	Very low	39.1	Very low	240 Å²	240	157 Å²	157	100%	1.182	79%	0.789	S	S	*	*				0	137.2	0	-65.8	170.2	177.9	0	0	107.4
2	A	38.1	Very low	39.8	Very low	107 Å²	107	152.3 Å²	152.3	88%	0.884	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-75.1	129.7	-173.3	0	0	0	0	0	111.5
3	H	39.8	Very low	40	Very low	181 Å²	181	148 Å²	148	84%	0.838	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-72.8	140	173.9	-76.3	-85.9	0	0	0	110.7
4	P	41.2	Very low	40.4	Very low	119 Å²	119	141.9 Å²	141.9	77%	0.773	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-65.5	136.2	171.9	28	-33.8	0	0	0	110.4	K6	P4-K6 PolarHBondContact O-N 3.07Å
5	A	38.6	Very low	40.9	Very low	99 Å²	99	136.3 Å²	136.3	82%	0.818	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-63	135.8	178.2	0	0	0	0	0	111	R7	A5-R7 PolarHBondContact O-N 3.23Å
6	K	39.7	Very low	41.1	Very low	207 Å²	207	130.9 Å²	130.9	90%	0.9	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-63.4	119.2	177	-66.1	175.3	179.6	175.1	0	109.1	P4 S8	P4-K6 PolarHBondContact O-N 3.07Å; K6-S8 PolarHBondContact O-N 3.4Å
7	R	37.8	Very low	41.2	Very low	216 Å²	216	125.1 Å²	125.1	82%	0.815	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-52.8	134.2	170.4	-96.7	-173.6	166.3	152.3	-1.9	109.9	A5	A5-R7 PolarHBondContact O-N 3.23Å
8	S	40.8	Very low	41.3	Very low	62 Å²	62	120.9 Å²	120.9	43%	0.434	66%	0.657	S	S	.	*	P	Polyproline II helix	trans	-71.9	150.3	-178.9	-173.3	0	0	0	0	110.4	K6 Y10 D11	K6-S8 PolarHBondContact O-N 3.4Å; S8-Y10 PolarHBondContact O-N 2.87Å; S8-Y10 VanDerWaalsContact O-N 3.08Å; S8-Y10 WeakPolarHBondContact OG-CD2 3.22Å; S8-D11 PolarHBondContact O-N 3.02Å; S8-D11 VanDerWaalsContact O-N 3.12Å
9	R	39.2	Very low	41.3	Very low	223 Å²	223	121.9 Å²	121.9	84%	0.842	66%	0.656	S	S	*	*	H	α-helix	trans	-56	-27.3	173.6	-70.1	-176.8	179.3	169.6	-0.4	112	V12 L13	R9-V12 PolarHBondContact O-N 2.96Å; R9-L13 PolarHBondContact O-N 3.3Å
10	Y	36.1	Very low	41.4	Very low	187 Å²	187	120.9 Å²	120.9	73%	0.733	65%	0.646	S	S	*	*	H	α-helix	trans	-64.4	-34.1	178.3	-72.7	-95.5	0	0	0	113.8	S8 V12 L13 A14	S8-Y10 PolarHBondContact O-N 2.87Å; S8-Y10 VanDerWaalsContact O-N 3.08Å; S8-Y10 WeakPolarHBondContact OG-CD2 3.22Å; Y10-V12 PolarHBondContact O-N 2.92Å; Y10-L13 PolarHBondContact O-N 2.94Å; Y10-A14 WeakPolarHBondContact O-CB 3.5Å; Y10-A14 PolarHBondContact O-N 3.21Å
11	D	44.7	Very low	41.4	Very low	86 Å²	86	119.2 Å²	119.2	46%	0.46	63%	0.631	S	S	.	*	H	α-helix	trans	-63.9	-44	178.5	-72.1	-27	0	0	0	111.4	S8 L13 A14 A15	S8-D11 PolarHBondContact O-N 3.02Å; S8-D11 VanDerWaalsContact O-N 3.12Å; D11-L13 VanDerWaalsContact C-N 3.34Å; D11-A14 PolarHBondContact O-N 2.89Å; D11-A15 WeakPolarHBondContact O-CB 3.21Å; D11-A15 PolarHBondContact O-N 3.05Å
12	V	47.3	Very low	41.9	Very low	100 Å²	100	114.1 Å²	114.1	61%	0.606	61%	0.608	S	S	*	*	H	α-helix	trans	-67.6	-39.2	179.9	-175	0	0	0	0	110.3	R9 Y10 A15 A16	R9-V12 PolarHBondContact O-N 2.96Å; Y10-V12 PolarHBondContact O-N 2.92Å; V12-A15 PolarHBondContact O-N 3.19Å; V12-A16 WeakPolarHBondContact O-CB 3.48Å; V12-A16 PolarHBondContact O-N 2.6Å
13	L	43	Very low	42.3	Very low	97 Å²	97	114.9 Å²	114.9	51%	0.508	60%	0.602	S	S	.	*	H	α-helix	trans	-67.6	-42.2	178.3	-138.4	161.3	0	0	0	111.2	R9 Y10 D11 A16 T17	R9-L13 PolarHBondContact O-N 3.3Å; Y10-L13 PolarHBondContact O-N 2.94Å; D11-L13 VanDerWaalsContact C-N 3.34Å; L13-A16 PolarHBondContact O-N 3.04Å; L13-T17 WeakPolarHBondContact O-CB 3.45Å; L13-T17 PolarHBondContact O-N 3.26Å; L13-T17 PolarHBondContact O-OG1 3.1Å
14	A	45.8	Very low	42.9	Very low	62 Å²	62	109.2 Å²	109.2	51%	0.512	58%	0.581	S	S	.	*	H	α-helix	trans	-62.3	-43.5	174.3	0	0	0	0	0	112.6	Y10 D11 T17 A18	Y10-A14 WeakPolarHBondContact O-CB 3.5Å; Y10-A14 PolarHBondContact O-N 3.21Å; D11-A14 PolarHBondContact O-N 2.89Å; A14-T17 PolarHBondContact O-N 3.18Å; A14-A18 WeakPolarHBondContact O-CB 3.44Å; A14-A18 PolarHBondContact O-N 3.5Å
15	A	47.1	Very low	42.9	Very low	58 Å²	58	106.1 Å²	106.1	48%	0.479	57%	0.57	S	S	.	*	H	α-helix	trans	-64.1	-43.3	176.1	0	0	0	0	0	112.3	D11 V12 A18 Q19	D11-A15 WeakPolarHBondContact O-CB 3.21Å; D11-A15 PolarHBondContact O-N 3.05Å; V12-A15 PolarHBondContact O-N 3.19Å; A15-A18 PolarHBondContact O-N 3.44Å; A15-Q19 PolarHBondContact O-N 3.23Å
16	A	44.8	Very low	43.1	Very low	51 Å²	51	105.1 Å²	105.1	42%	0.421	55%	0.554	S	S	.	*	H	α-helix	trans	-64.6	-40.9	175.4	0	0	0	0	0	112.1	V12 L13 Q19 F20	V12-A16 WeakPolarHBondContact O-CB 3.48Å; V12-A16 PolarHBondContact O-N 2.6Å; L13-A16 PolarHBondContact O-N 3.04Å; A16-Q19 PolarHBondContact O-N 3.3Å; A16-F20 WeakPolarHBondContact O-CB 3.24Å; A16-F20 PolarHBondContact O-N 3.16Å
17	T	42.8	Very low	43.4	Very low	31 Å²	31	98.9 Å²	98.9	19%	0.19	53%	0.533	C	S	.	.	H	α-helix	trans	-61.3	-42.3	173.5	-66.8	0	0	0	0	111.7	L13 A14 F20 Y21	L13-T17 WeakPolarHBondContact O-CB 3.45Å; L13-T17 PolarHBondContact O-N 3.26Å; L13-T17 PolarHBondContact O-OG1 3.1Å; A14-T17 PolarHBondContact O-N 3.18Å; T17-F20 PolarHBondContact O-N 2.82Å; T17-Y21 VanDerWaalsContact O-CB 3.32Å; T17-Y21 WeakPolarHBondContact O-CB 3.4Å; T17-Y21 PolarHBondContact O-N 3.27Å
18	A	43.2	Very low	43.6	Very low	51 Å²	51	90.7 Å²	90.7	42%	0.421	51%	0.508	S	S	.	.	H	α-helix	trans	-64.5	-40.4	176.4	0	0	0	0	0	112.4	A14 A15 N22	A14-A18 WeakPolarHBondContact O-CB 3.44Å; A14-A18 PolarHBondContact O-N 3.5Å; A15-A18 PolarHBondContact O-N 3.44Å; A18-N22 WeakPolarHBondContact O-CB 3.43Å; A18-N22 PolarHBondContact O-N 2.97Å; A18-N22 PolarHBondContact O-ND2 3Å
19	Q	41.5	Very low	43.7	Very low	140 Å²	140	91.7 Å²	91.7	65%	0.654	53%	0.528	S	S	*	.	H	α-helix	trans	-63.6	-48.1	172.4	-73.9	-174.8	-33.5	0	0	111.8	A15 A16 Y21 N22 T23	A15-Q19 PolarHBondContact O-N 3.23Å; A16-Q19 PolarHBondContact O-N 3.3Å; Q19-Y21 VanDerWaalsContact C-N 3.34Å; Q19-Y21 PolarHBondContact O-N 2.86Å; Q19-N22 PolarHBondContact O-N 3.35Å; Q19-T23 PolarHBondContact O-N 3.3Å; Q19-T23 PolarHBondContact O-OG1 3.33Å; Q19-T23 VanDerWaalsContact O-OG1 3.13Å
20	F	42.8	Very low	43.8	Very low	100 Å²	100	85.1 Å²	85.1	44%	0.439	52%	0.516	S	S	.	.	H	α-helix	trans	-60.8	-41.6	179.8	-167.3	-88.7	0	0	0	112.4	A16 T17 T23 T24 P28	A16-F20 WeakPolarHBondContact O-CB 3.24Å; A16-F20 PolarHBondContact O-N 3.16Å; T17-F20 PolarHBondContact O-N 2.82Å; F20-T23 PolarHBondContact O-N 3.27Å; F20-T24 HydrophobicContact CD1-CG2 4.15Å; F20-T24 WeakPolarHBondContact CD1-OG1 3.3Å; F20-T24 HydrophobicContact CD2-CG2 4.39Å; F20-T24 HydrophobicContact CE1-CG2 3.85Å; F20-T24 WeakPolarHBondContact CE1-OG1 3.49Å; F20-T24 HydrophobicContact CE2-CG2 4.11Å; F20-T24 HydrophobicContact CG-CG2 4.42Å; F20-T24 HydrophobicContact CZ-CG2 3.83Å; F20-T24 WeakPolarHBondContact O-CB 3.26Å; F20-T24 WeakPolarHBondContact O-CG2 3.45Å; F20-T24 PolarHBondContact O-N 3Å; F20-T24 PolarHBondContact O-OG1 2.81Å; F20-P28 HydrophobicContact CD1-CG 3.82Å; F20-P28 HydrophobicContact CE1-CG 4.31Å; F20-P28 HydrophobicContact CG-CG 4.3Å
21	Y	40.7	Very low	44.1	Very low	86 Å²	86	82.2 Å²	82.2	34%	0.337	51%	0.513	S	S	.	.	H	α-helix	trans	-62.9	-45.7	174.8	-176.7	-101.7	0	0	0	111.8	T17 Q19 T23 G25 V27	T17-Y21 VanDerWaalsContact O-CB 3.32Å; T17-Y21 WeakPolarHBondContact O-CB 3.4Å; T17-Y21 PolarHBondContact O-N 3.27Å; Q19-Y21 VanDerWaalsContact C-N 3.34Å; Q19-Y21 PolarHBondContact O-N 2.86Å; Y21-T23 PolarHBondContact O-N 3.36Å; Y21-G25 WeakPolarHBondContact O-CA 3.43Å; Y21-G25 PolarHBondContact O-N 3.25Å; Y21-V27 HydrophobicContact CD2-CG2 3.57Å; Y21-V27 HydrophobicContact CE2-CG2 3.68Å
22	N	44.4	Very low	44.1	Very low	133 Å²	133	87.4 Å²	87.4	71%	0.711	53%	0.534	S	S	*	.	H	α-helix	trans	-64.4	-24.7	176.7	-73.4	-17.3	0	0	0	113.5	A18 Q19	A18-N22 WeakPolarHBondContact O-CB 3.43Å; A18-N22 PolarHBondContact O-N 2.97Å; A18-N22 PolarHBondContact O-ND2 3Å; Q19-N22 PolarHBondContact O-N 3.35Å
23	T	47.4	Very low	44.5	Very low	123 Å²	123	84.6 Å²	84.6	76%	0.755	52%	0.516	S	S	*	.	H	α-helix	trans	-91.1	-36.3	178.4	-58.3	0	0	0	0	113.6	Q19 F20 Y21	Q19-T23 PolarHBondContact O-N 3.3Å; Q19-T23 PolarHBondContact O-OG1 3.33Å; Q19-T23 VanDerWaalsContact O-OG1 3.13Å; F20-T23 PolarHBondContact O-N 3.27Å; Y21-T23 PolarHBondContact O-N 3.36Å
24	T	52.7	Low	45.1	Very low	63 Å²	63	82 Å²	82	39%	0.387	51%	0.508	S	S	.	.	H	α-helix	trans	-111.7	-17.1	-169.5	67.8	0	0	0	0	114.8	F20 T26	F20-T24 HydrophobicContact CD1-CG2 4.15Å; F20-T24 WeakPolarHBondContact CD1-OG1 3.3Å; F20-T24 HydrophobicContact CD2-CG2 4.39Å; F20-T24 HydrophobicContact CE1-CG2 3.85Å; F20-T24 WeakPolarHBondContact CE1-OG1 3.49Å; F20-T24 HydrophobicContact CE2-CG2 4.11Å; F20-T24 HydrophobicContact CG-CG2 4.42Å; F20-T24 HydrophobicContact CZ-CG2 3.83Å; F20-T24 WeakPolarHBondContact O-CB 3.26Å; F20-T24 WeakPolarHBondContact O-CG2 3.45Å; F20-T24 PolarHBondContact O-N 3Å; F20-T24 PolarHBondContact O-OG1 2.81Å; T24-T26 PolarHBondContact O-N 3.11Å; T24-T26 PolarHBondContact OG1-N 2.66Å; T24-T26 VanDerWaalsContact OG1-N 3.13Å; T24-T26 PolarHBondContact OG1-O 3.08Å; T24-T26 PolarHBondContact OG1-OG1 3.34Å
25	G	41	Very low	45.3	Very low	53 Å²	53	84.8 Å²	84.8	55%	0.546	52%	0.519	S	S	.	.	S	Bend	trans	68.6	7.6	-169.3	0	0	0	0	0	114.7	Y21	Y21-G25 WeakPolarHBondContact O-CA 3.43Å; Y21-G25 PolarHBondContact O-N 3.25Å
26	T	41.7	Very low	45.9	Very low	78 Å²	78	84.5 Å²	84.5	48%	0.479	51%	0.509	S	S	.	.			trans	-118.1	142.3	179.7	63	0	0	0	0	111.2	T24	T24-T26 PolarHBondContact O-N 3.11Å; T24-T26 PolarHBondContact OG1-N 2.66Å; T24-T26 VanDerWaalsContact OG1-N 3.13Å; T24-T26 PolarHBondContact OG1-O 3.08Å; T24-T26 PolarHBondContact OG1-OG1 3.34Å
27	V	47.2	Very low	47	Very low	76 Å²	76	82.4 Å²	82.4	46%	0.461	49%	0.491	S	S	.	.			trans	-90.5	130.7	174	-174.6	0	0	0	0	108.3	Y21 G29	Y21-V27 HydrophobicContact CD2-CG2 3.57Å; Y21-V27 HydrophobicContact CE2-CG2 3.68Å; V27-G29 PolarHBondContact O-N 3.05Å
28	P	42	Very low	47.9	Very low	44 Å²	44	83.5 Å²	83.5	29%	0.286	50%	0.5	S	S	.	.			trans	-58.2	128	170.1	-22.7	33.9	0	0	0	110.8	F20 S30	F20-P28 HydrophobicContact CD1-CG 3.82Å; F20-P28 HydrophobicContact CE1-CG 4.31Å; F20-P28 HydrophobicContact CG-CG 4.3Å; P28-S30 PolarHBondContact O-N 2.82Å
29	G	42.5	Very low	49	Very low	83 Å²	83	86.4 Å²	86.4	86%	0.856	50%	0.501	S	S	*	.	S	Bend	trans	-70	23.7	-169.8	0	0	0	0	0	117.1	V27	V27-G29 PolarHBondContact O-N 3.05Å
30	S	40.6	Very low	50.5	Low	86 Å²	86	79.9 Å²	79.9	60%	0.601	47%	0.47	S	S	*	.			trans	-96.2	20.8	-171.9	65.1	0	0	0	0	114.6	P28	P28-S30 PolarHBondContact O-N 2.82Å
31	L	43.4	Very low	52	Low	126 Å²	126	76.9 Å²	76.9	66%	0.66	46%	0.46	S	S	*	.			trans	-137.3	80.3	-179.1	-89.8	161.5	0	0	0	110.1	L33	L31-L33 PolarHBondContact O-N 3.15Å
32	Q	44.2	Very low	53.4	Low	194 Å²	194	74.2 Å²	74.2	91%	0.907	45%	0.453	S	S	*	.			trans	-66.7	114.6	174.2	-73.2	176.8	-65.6	0	0	110.5
33	L	54.9	Low	54.5	Low	42 Å²	42	73 Å²	73	22%	0.22	45%	0.446	C	S	.	.			trans	-68.6	158.3	150.6	-79	156.6	0	0	0	108.9	L31 I37 V41 R115	L31-L33 PolarHBondContact O-N 3.15Å; L33-I37 HydrophobicContact CD2-CG2 4.05Å; L33-V41 HydrophobicContact CD1-CB 4.47Å; L33-V41 HydrophobicContact CD1-CG2 3.84Å; L33-R115 VanDerWaalsContact CD2-NH1 3.34Å
34	A	55.9	Low	55.6	Low	42 Å²	42	73.7 Å²	73.7	35%	0.347	44%	0.441	S	S	.	.			trans	-58.4	140.8	165	0	0	0	0	0	109.4	D36 I37 S38	A34-D36 WeakPolarHBondContact CB-OD1 3.42Å; A34-D36 PolarHBondContact O-N 3Å; A34-D36 VanDerWaalsContact O-N 3.15Å; A34-I37 HydrophobicContact CB-CD1 4.35Å; A34-I37 HydrophobicContact CB-CG1 4.4Å; A34-I37 PolarHBondContact O-N 2.98Å; A34-S38 PolarHBondContact O-N 2.89Å
35	T	51.1	Low	56.9	Low	121 Å²	121	74.3 Å²	74.3	74%	0.742	45%	0.446	S	S	*	.	H	α-helix	trans	-55.3	-38.7	-172.8	-43.5	0	0	0	0	112	I37 S38	T35-I37 VanDerWaalsContact C-N 3.25Å; T35-I37 PolarHBondContact O-N 2.93Å; T35-S38 PolarHBondContact O-N 3.43Å; T35-S38 PolarHBondContact O-OG 3.21Å
36	D	59.7	Low	59	Low	52 Å²	52	73 Å²	73	28%	0.278	43%	0.428	S	S	.	.	H	α-helix	trans	-76.5	-3.8	179.3	75.9	-62.4	0	0	0	114.8	A34 Y39 C80 R83	A34-D36 WeakPolarHBondContact CB-OD1 3.42Å; A34-D36 PolarHBondContact O-N 3Å; A34-D36 VanDerWaalsContact O-N 3.15Å; D36-Y39 HydrophobicContact CB-CE1 4.34Å; D36-Y39 WeakPolarHBondContact O-CE1 3.3Å; D36-C80 PolarHBondContact O-SG 3.26Å; D36-C80 VanDerWaalsContact OD2-CB 3.31Å; D36-C80 WeakPolarHBondContact OD2-CB 3.19Å; D36-R83 IonicContact OD1-CZ 3.2Å; D36-R83 IonicContact OD1-NH2 3.23Å; D36-R83 PolarHBondContact OD1-NH2 3.23Å; D36-R83 IonicContact OD2-CZ 2.74Å; D36-R83 IonicContact OD2-NH2 3.68Å; D36-R83 PolarHBondContact OD2-NH2 3.45Å
37	I	67.1	Low	61.3	Low	7 Å²	7	71.3 Å²	71.3	4%	0.036	42%	0.42	C	S	.	.	H	α-helix	trans	-106	-30.6	167.8	-55.8	176.8	0	0	0	109.8	L33 A34 T35 Y39 L40 A52 C80	L33-I37 HydrophobicContact CD2-CG2 4.05Å; A34-I37 HydrophobicContact CB-CD1 4.35Å; A34-I37 HydrophobicContact CB-CG1 4.4Å; A34-I37 PolarHBondContact O-N 2.98Å; T35-I37 VanDerWaalsContact C-N 3.25Å; T35-I37 PolarHBondContact O-N 2.93Å; I37-Y39 VanDerWaalsContact C-N 3.29Å; I37-Y39 PolarHBondContact O-N 2.98Å; I37-L40 WeakPolarHBondContact O-CB 3.43Å; I37-L40 PolarHBondContact O-N 3.23Å; I37-L40 VanDerWaalsContact O-N 3.11Å; I37-A52 HydrophobicContact CD1-CB 4.32Å; I37-A52 HydrophobicContact CG2-CB 4.11Å; I37-C80 HydrophobicContact CG1-CB 4.34Å
38	S	61.2	Low	63.4	Low	54 Å²	54	67.9 Å²	67.9	38%	0.378	40%	0.398	S	S	.	.	H	α-helix	trans	-61.8	-31.3	-177.2	69.3	0	0	0	0	114.4	A34 T35 L40 V41	A34-S38 PolarHBondContact O-N 2.89Å; T35-S38 PolarHBondContact O-N 3.43Å; T35-S38 PolarHBondContact O-OG 3.21Å; S38-L40 VanDerWaalsContact C-N 3.31Å; S38-L40 PolarHBondContact O-N 3.3Å; S38-V41 PolarHBondContact O-N 3.24Å
39	Y	68	Low	65.8	Low	112 Å²	112	65.8 Å²	65.8	44%	0.439	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-24.2	177.9	76.6	-98.2	0	0	0	112.8	D36 I37 V41	D36-Y39 HydrophobicContact CB-CE1 4.34Å; D36-Y39 WeakPolarHBondContact O-CE1 3.3Å; I37-Y39 VanDerWaalsContact C-N 3.29Å; I37-Y39 PolarHBondContact O-N 2.98Å; Y39-V41 VanDerWaalsContact C-N 3.3Å
40	L	71.2	Confident	68.1	Low	3 Å²	3	62 Å²	62	2%	0.016	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-17.2	177.3	-63.7	173.3	0	0	0	112.6	I37 S38 V50 V79 C80 L86 S119 E121	I37-L40 WeakPolarHBondContact O-CB 3.43Å; I37-L40 PolarHBondContact O-N 3.23Å; I37-L40 VanDerWaalsContact O-N 3.11Å; S38-L40 VanDerWaalsContact C-N 3.31Å; S38-L40 PolarHBondContact O-N 3.3Å; L40-V50 HydrophobicContact CB-CB 4.37Å; L40-V50 HydrophobicContact CB-CG2 4.2Å; L40-V50 HydrophobicContact CD1-CG2 4.04Å; L40-V79 HydrophobicContact CD1-CB 4.47Å; L40-V79 HydrophobicContact CD1-CG2 3.69Å; L40-C80 VanDerWaalsContact CD1-SG 3.58Å; L40-L86 HydrophobicContact CD2-CD2 4.39Å; L40-S119 WeakPolarHBondContact O-CA 3.49Å; L40-S119 WeakPolarHBondContact O-CB 3.42Å; L40-S119 PolarHBondContact O-OG 2.76Å; L40-E121 HydrophobicContact CD2-CG 3.81Å
41	V	74.9	Confident	70.5	Confident	37 Å²	37	57.9 Å²	57.9	22%	0.224	32%	0.316	C	S	.	.			trans	-90.5	130.3	-173.4	174.6	0	0	0	0	111.3	L33 S38 Y39 V50 E117 F118	L33-V41 HydrophobicContact CD1-CB 4.47Å; L33-V41 HydrophobicContact CD1-CG2 3.84Å; S38-V41 PolarHBondContact O-N 3.24Å; Y39-V41 VanDerWaalsContact C-N 3.3Å; V41-V50 HydrophobicContact CG2-CG1 3.71Å; V41-E117 HydrophobicContact CG1-CB 3.97Å; V41-E117 HydrophobicContact CG1-CG 4.34Å; V41-E117 HydrophobicContact CG2-CB 4.15Å; V41-E117 HydrophobicContact CG2-CG 4.41Å; V41-F118 WeakPolarHBondContact CA-O 3.48Å
42	T	71.3	Confident	72.6	Confident	29 Å²	29	52 Å²	52	18%	0.178	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-123.1	148.8	171.4	-173.4	0	0	0	0	112	Q44 F118	T42-Q44 VanDerWaalsContact C-N 3.26Å; T42-Q44 WeakPolarHBondContact CG2-O 3.21Å; T42-Q44 PolarHBondContact O-N 3.4Å; T42-Q44 PolarHBondContact OG1-N 2.72Å; T42-F118 HydrophobicContact CG2-CB 3.88Å; T42-F118 PolarHBondContact N-O 2.91Å
43	N	67.3	Low	74.5	Confident	107 Å²	107	46.6 Å²	46.6	57%	0.572	26%	0.263	S	S	*	.	S	Bend	trans	-81.1	-5	175.8	-66.3	-29.3	0	0	0	112.9
44	Q	70.1	Confident	76	Confident	138 Å²	138	45.1 Å²	45.1	65%	0.645	26%	0.256	S	S	*	.	S	Bend	trans	-95.7	135.6	179.6	-66.1	-171	85.9	0	0	111.4	T42 S46 F118	T42-Q44 VanDerWaalsContact C-N 3.26Å; T42-Q44 WeakPolarHBondContact CG2-O 3.21Å; T42-Q44 PolarHBondContact O-N 3.4Å; T42-Q44 PolarHBondContact OG1-N 2.72Å; Q44-S46 PolarHBondContact O-N 2.78Å; Q44-F118 VanDerWaalsContact O-CB 3.29Å; Q44-F118 WeakPolarHBondContact O-CB 3.38Å; Q44-F118 WeakPolarHBondContact O-CG 3.17Å
45	P	79.5	Confident	77.3	Confident	76 Å²	76	44.3 Å²	44.3	49%	0.494	25%	0.247	S	C	.	.			trans	-56.5	134.9	171.8	-25.7	35.5	0	0	0	112	I92 F118	P45-I92 HydrophobicContact CB-CD1 4.17Å; P45-I92 HydrophobicContact CB-CG1 4.48Å; P45-F118 HydrophobicContact CB-CE1 4.08Å; P45-F118 HydrophobicContact CB-CE2 4.26Å; P45-F118 HydrophobicContact CB-CZ 3.9Å; P45-F118 HydrophobicContact CG-CE2 4.18Å; P45-F118 HydrophobicContact CG-CZ 4.19Å
46	S	85.2	Confident	78.6	Confident	25 Å²	25	48.2 Å²	48.2	18%	0.175	26%	0.257	C	S	.	.			trans	-138.3	160.4	-174.3	-179.3	0	0	0	0	110.8	Q44 T48 P95 S119	Q44-S46 PolarHBondContact O-N 2.78Å; S46-T48 WeakPolarHBondContact CB-O 3.08Å; S46-T48 PolarHBondContact OG-N 2.89Å; S46-T48 VanDerWaalsContact OG-N 3.13Å; S46-P95 WeakPolarHBondContact O-CG 3.4Å; S46-S119 WeakPolarHBondContact CB-O 3.45Å; S46-S119 PolarHBondContact OG-O 3.38Å
47	C	90.2	Very high	79.5	Confident	44 Å²	44	49.4 Å²	49.4	30%	0.297	28%	0.281	S	S	.	.	S	Bend	trans	-68.8	-23.5	167.1	-65.8	0	0	0	0	112	F89	C47-F89 PolarHBondContact O-N 2.91Å
48	T	91	Very high	80.2	Confident	3 Å²	3	50 Å²	50	2%	0.018	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	137	176.9	-42.5	0	0	0	0	111.1	S46 L86 V87 E88 S119 E121 I123	S46-T48 WeakPolarHBondContact CB-O 3.08Å; S46-T48 PolarHBondContact OG-N 2.89Å; S46-T48 VanDerWaalsContact OG-N 3.13Å; T48-L86 HydrophobicContact CG2-CB 4.07Å; T48-L86 HydrophobicContact CG2-CD2 4.07Å; T48-V87 WeakPolarHBondContact CA-O 3.34Å; T48-E88 HydrophobicContact CG2-CB 4.35Å; T48-S119 PolarHBondContact O-N 2.91Å; T48-E121 WeakPolarHBondContact CB-O 3.34Å; T48-E121 WeakPolarHBondContact CG2-O 3.38Å; T48-E121 PolarHBondContact OG1-O 3.38Å; T48-I123 HydrophobicContact CG2-CG1 4.38Å
49	I	92.5	Very high	81.5	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	147.7	165.7	57.1	175.8	0	0	0	110.2	V51 F67 L86 V87 F89 P95 L98 V99 L116 E117 F118	I49-V51 HydrophobicContact CD1-CG2 4.29Å; I49-V51 HydrophobicContact CG1-CG2 4.37Å; I49-F67 HydrophobicContact CD1-CD1 4.37Å; I49-F67 HydrophobicContact CD1-CE1 4.08Å; I49-L86 WeakPolarHBondContact O-CA 3.44Å; I49-V87 HydrophobicContact CG1-CB 4.05Å; I49-V87 PolarHBondContact N-O 2.7Å; I49-V87 PolarHBondContact O-N 2.82Å; I49-F89 HydrophobicContact CD1-CE2 3.87Å; I49-F89 HydrophobicContact CG1-CE2 4.09Å; I49-P95 HydrophobicContact CG2-CB 3.45Å; I49-P95 VanDerWaalsContact CG2-CB 3.45Å; I49-L98 HydrophobicContact CD1-CD1 4.2Å; I49-V99 HydrophobicContact CG2-CG2 3.63Å; I49-L116 HydrophobicContact CD1-CD2 4.41Å; I49-E117 CarbonylContact C-O 3.58Å; I49-E117 VanDerWaalsContact CA-O 3.3Å; I49-E117 WeakPolarHBondContact CA-O 3.42Å; I49-E117 WeakPolarHBondContact CB-O 3.23Å; I49-F118 HydrophobicContact CG2-CD1 4.29Å
50	V	90.8	Very high	82.4	Confident	3 Å²	3	48 Å²	48	2%	0.018	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	125.8	162.7	59.8	0	0	0	0	108.8	L40 V41 A84 A85 L86 E117	L40-V50 HydrophobicContact CB-CB 4.37Å; L40-V50 HydrophobicContact CB-CG2 4.2Å; L40-V50 HydrophobicContact CD1-CG2 4.04Å; V41-V50 HydrophobicContact CG2-CG1 3.71Å; V50-A84 HydrophobicContact CG2-CB 4.22Å; V50-A85 WeakPolarHBondContact CA-O 3.37Å; V50-L86 HydrophobicContact CB-CD2 4.13Å; V50-E117 HydrophobicContact CG1-CB 4.16Å; V50-E117 PolarHBondContact N-O 3.11Å; V50-E117 PolarHBondContact O-N 3.37Å
51	V	91.3	Very high	83.1	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	114	173.1	-173.1	0	0	0	0	106.2	I49 I54 F67 A84 A85 V87 V114 R115 L116	I49-V51 HydrophobicContact CD1-CG2 4.29Å; I49-V51 HydrophobicContact CG1-CG2 4.37Å; V51-I54 HydrophobicContact CB-CD1 4.11Å; V51-I54 HydrophobicContact CB-CG1 4.46Å; V51-I54 HydrophobicContact CG1-CD1 4Å; V51-I54 HydrophobicContact CG1-CG1 3.91Å; V51-I54 WeakPolarHBondContact O-CD1 3.44Å; V51-F67 HydrophobicContact CG1-CE2 4.31Å; V51-F67 HydrophobicContact CG1-CZ 4.27Å; V51-F67 HydrophobicContact CG2-CE2 3.71Å; V51-F67 HydrophobicContact CG2-CZ 3.75Å; V51-A84 CarbonylContact O-C 3.55Å; V51-A84 WeakPolarHBondContact O-CA 3.28Å; V51-A84 VanDerWaalsContact O-CB 3.3Å; V51-A84 WeakPolarHBondContact O-CB 3.5Å; V51-A85 PolarHBondContact N-O 2.79Å; V51-A85 PolarHBondContact O-N 3.48Å; V51-V87 HydrophobicContact CG2-CG2 3.94Å; V51-V114 HydrophobicContact CG1-CB 3.93Å; V51-V114 HydrophobicContact CG1-CG1 4.17Å; V51-V114 HydrophobicContact CG1-CG2 4.06Å; V51-R115 WeakPolarHBondContact CA-O 3.27Å; V51-L116 HydrophobicContact CB-CD2 4.13Å; V51-L116 HydrophobicContact CG1-CD2 3.85Å; V51-L116 HydrophobicContact CG2-CD2 3.81Å
52	A	87.3	Confident	83.7	Confident	3 Å²	3	59.2 Å²	59.2	3%	0.025	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	163.1	179.7	0	0	0	0	0	111.6	I37 I54 A84 V114 R115	I37-A52 HydrophobicContact CD1-CB 4.32Å; I37-A52 HydrophobicContact CG2-CB 4.11Å; A52-I54 VanDerWaalsContact C-N 3.35Å; A52-A84 HydrophobicContact CB-CB 4.34Å; A52-V114 CarbonylContact O-C 3.57Å; A52-V114 WeakPolarHBondContact O-CA 3.46Å; A52-V114 VanDerWaalsContact O-CB 3.22Å; A52-V114 WeakPolarHBondContact O-CB 3.37Å; A52-R115 HydrophobicContact CB-CB 4.36Å; A52-R115 PolarHBondContact N-O 3.23Å; A52-R115 PolarHBondContact O-N 2.82Å
53	D	84.3	Confident	84.5	Confident	80 Å²	80	57.9 Å²	57.9	43%	0.428	31%	0.313	S	S	.	.	S	Bend	trans	67.8	31.8	-177.4	-48.4	-50.4	0	0	0	113.4	R83 N112 R115	D53-R83 PolarHBondContact N-O 2.98Å; D53-R83 VanDerWaalsContact N-O 3.15Å; D53-N112 PolarHBondContact O-ND2 2.88Å; D53-R115 VanDerWaalsContact OD2-CD 3.24Å; D53-R115 WeakPolarHBondContact OD2-CD 3.25Å; D53-R115 VanDerWaalsContact OD2-CG 3.31Å; D53-R115 WeakPolarHBondContact OD2-CG 3.46Å
54	I	86.1	Confident	85.5	Confident	12 Å²	12	56 Å²	56	6%	0.062	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-64.5	141.3	179.1	-61.4	-175.6	0	0	0	110.8	V51 A52 C58 L63 R83 A85 V114	V51-I54 HydrophobicContact CB-CD1 4.11Å; V51-I54 HydrophobicContact CB-CG1 4.46Å; V51-I54 HydrophobicContact CG1-CD1 4Å; V51-I54 HydrophobicContact CG1-CG1 3.91Å; V51-I54 WeakPolarHBondContact O-CD1 3.44Å; A52-I54 VanDerWaalsContact C-N 3.35Å; I54-C58 HydrophobicContact CG2-CB 3.53Å; I54-L63 HydrophobicContact CD1-CD1 4.31Å; I54-L63 HydrophobicContact CD1-CD2 4.21Å; I54-R83 PolarHBondContact N-O 3.36Å; I54-A85 HydrophobicContact CD1-CB 3.43Å; I54-A85 VanDerWaalsContact CD1-CB 3.43Å; I54-V114 HydrophobicContact CG1-CG1 4.41Å
55	P	83.3	Confident	86.3	Confident	24 Å²	24	51.9 Å²	51.9	16%	0.156	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-71.4	144.4	175.3	29.9	-34.3	0	0	0	112.4	G57 C58 V109 N112	P55-G57 PolarHBondContact O-N 2.97Å; P55-C58 HydrophobicContact CG-CB 4.27Å; P55-C58 WeakPolarHBondContact O-CB 3.34Å; P55-C58 PolarHBondContact O-N 2.66Å; P55-V109 HydrophobicContact CG-CG1 3.97Å; P55-N112 WeakPolarHBondContact CA-ND2 3.42Å; P55-N112 HydrophobicContact CB-CB 4.3Å; P55-N112 HydrophobicContact CG-CB 4.45Å
56	E	77.9	Confident	86.7	Confident	204 Å²	204	50.7 Å²	50.7	95%	0.953	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	131.7	175.1	-64.2	178.2	-175.9	0	0	111.2
57	G	78.6	Confident	86.9	Confident	76 Å²	76	49.5 Å²	49.5	78%	0.784	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.5	-1.5	-178	0	0	0	0	0	116.1	P55	P55-G57 PolarHBondContact O-N 2.97Å
58	C	83	Confident	86.8	Confident	19 Å²	19	50.1 Å²	50.1	13%	0.128	28%	0.283	C	S	.	.			trans	-70.8	130.6	172.1	-170.1	0	0	0	0	111.5	I54 P55	I54-C58 HydrophobicContact CG2-CB 3.53Å; P55-C58 HydrophobicContact CG-CB 4.27Å; P55-C58 WeakPolarHBondContact O-CB 3.34Å; P55-C58 PolarHBondContact O-N 2.66Å
59	T	87.4	Confident	86.5	Confident	56 Å²	56	57.1 Å²	57.1	34%	0.344	31%	0.309	S	S	.	.			trans	-102.3	163.9	-179.6	71.5	0	0	0	0	112.6	R61 D62 L63	T59-R61 PolarHBondContact O-N 3.43Å; T59-R61 PolarHBondContact OG1-N 3.29Å; T59-D62 WeakPolarHBondContact CB-OD2 3.28Å; T59-D62 PolarHBondContact N-OD2 3.15Å; T59-D62 PolarHBondContact O-N 3.38Å; T59-D62 VanDerWaalsContact OG1-CG 3.28Å; T59-D62 PolarHBondContact OG1-N 3.29Å; T59-D62 PolarHBondContact OG1-OD2 2.63Å; T59-L63 PolarHBondContact O-N 3.21Å; T59-L63 VanDerWaalsContact O-N 3.13Å
60	E	87.1	Confident	86.1	Confident	68 Å²	68	60.6 Å²	60.6	32%	0.318	32%	0.323	S	S	.	.	H	α-helix	trans	-52.6	-36.2	170	-70.2	79.3	-177.8	0	0	112	D62 L63 I64 L78	E60-D62 PolarHBondContact O-N 2.83Å; E60-L63 PolarHBondContact O-N 2.85Å; E60-I64 WeakPolarHBondContact O-CB 3.3Å; E60-I64 WeakPolarHBondContact O-CD1 3.45Å; E60-I64 WeakPolarHBondContact O-CG1 3.08Å; E60-I64 PolarHBondContact O-N 3.09Å; E60-L78 HydrophobicContact CG-CG 4.37Å; E60-L78 VanDerWaalsContact OE1-CB 3.31Å; E60-L78 WeakPolarHBondContact OE1-CB 3.15Å; E60-L78 WeakPolarHBondContact OE1-CD1 3.23Å; E60-L78 VanDerWaalsContact OE1-CG 3.26Å; E60-L78 WeakPolarHBondContact OE1-CG 3.49Å; E60-L78 PolarHBondContact OE1-N 3.49Å
61	R	85.6	Confident	85.8	Confident	204 Å²	204	61.3 Å²	61.3	77%	0.77	33%	0.331	S	S	*	.	H	α-helix	trans	-65.4	-38.7	178.9	-174.5	-179.9	-66.8	138.4	1.6	112	T59 I64 G65	T59-R61 PolarHBondContact O-N 3.43Å; T59-R61 PolarHBondContact OG1-N 3.29Å; R61-I64 PolarHBondContact O-N 3.37Å; R61-G65 PolarHBondContact O-N 3.18Å
62	D	87.8	Confident	85.5	Confident	73 Å²	73	68.4 Å²	68.4	39%	0.39	36%	0.364	S	S	.	.	H	α-helix	trans	-69.4	-41.9	178.3	-54.1	-54.7	0	0	0	110.7	T59 E60 G65 L66	T59-D62 WeakPolarHBondContact CB-OD2 3.28Å; T59-D62 PolarHBondContact N-OD2 3.15Å; T59-D62 PolarHBondContact O-N 3.38Å; T59-D62 VanDerWaalsContact OG1-CG 3.28Å; T59-D62 PolarHBondContact OG1-N 3.29Å; T59-D62 PolarHBondContact OG1-OD2 2.63Å; E60-D62 PolarHBondContact O-N 2.83Å; D62-G65 PolarHBondContact O-N 2.78Å; D62-L66 VanDerWaalsContact O-CB 3.31Å; D62-L66 WeakPolarHBondContact O-CB 3.32Å; D62-L66 WeakPolarHBondContact O-CD1 3.23Å; D62-L66 VanDerWaalsContact O-CG 3.22Å; D62-L66 WeakPolarHBondContact O-CG 3.49Å; D62-L66 PolarHBondContact O-N 3.46Å
63	L	88.7	Confident	85.6	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-61.4	-45.7	173.5	-66.2	165.8	0	0	0	111.1	I54 T59 E60 G65 L66 F67 L78 A85 V87	I54-L63 HydrophobicContact CD1-CD1 4.31Å; I54-L63 HydrophobicContact CD1-CD2 4.21Å; T59-L63 PolarHBondContact O-N 3.21Å; T59-L63 VanDerWaalsContact O-N 3.13Å; E60-L63 PolarHBondContact O-N 2.85Å; L63-G65 PolarHBondContact O-N 2.92Å; L63-L66 PolarHBondContact O-N 2.94Å; L63-F67 HydrophobicContact CD2-CE2 4.09Å; L63-F67 WeakPolarHBondContact O-CB 3.39Å; L63-F67 WeakPolarHBondContact O-CD2 3.49Å; L63-F67 PolarHBondContact O-N 2.99Å; L63-L78 HydrophobicContact CD1-CD2 4.04Å; L63-A85 HydrophobicContact CD1-CB 3.34Å; L63-V87 HydrophobicContact CB-CG2 4.5Å
64	I	88.7	Confident	85.7	Confident	67 Å²	67	71.6 Å²	71.6	34%	0.344	37%	0.374	S	S	.	.	H	α-helix	trans	-57.9	-48.7	175.1	-71.4	162.5	0	0	0	110.4	E60 R61 L66 S68 I73 A76	E60-I64 WeakPolarHBondContact O-CB 3.3Å; E60-I64 WeakPolarHBondContact O-CD1 3.45Å; E60-I64 WeakPolarHBondContact O-CG1 3.08Å; E60-I64 PolarHBondContact O-N 3.09Å; R61-I64 PolarHBondContact O-N 3.37Å; I64-L66 PolarHBondContact O-N 3.16Å; I64-S68 WeakPolarHBondContact O-CB 3.33Å; I64-S68 PolarHBondContact O-N 2.89Å; I64-S68 PolarHBondContact O-OG 2.61Å; I64-I73 HydrophobicContact CB-CD1 4.38Å; I64-I73 HydrophobicContact CG1-CG2 4.32Å; I64-I73 HydrophobicContact CG2-CD1 4.4Å; I64-I73 WeakPolarHBondContact O-CD1 3.09Å; I64-A76 HydrophobicContact CD1-CB 4.09Å; I64-A76 HydrophobicContact CG1-CB 3.69Å
65	G	85.9	Confident	85.7	Confident	52 Å²	52	73 Å²	73	54%	0.536	38%	0.382	S	S	.	.	H	α-helix	trans	-60.6	-44.7	177	0	0	0	0	0	113.3	R61 D62 L63	R61-G65 PolarHBondContact O-N 3.18Å; D62-G65 PolarHBondContact O-N 2.78Å; L63-G65 PolarHBondContact O-N 2.92Å
66	L	87.8	Confident	86	Confident	52 Å²	52	72.3 Å²	72.3	27%	0.272	38%	0.378	S	S	.	.	H	α-helix	trans	-67.3	-39.4	-178.1	-76.3	166.7	0	0	0	113	D62 L63 I64 R69 V109	D62-L66 VanDerWaalsContact O-CB 3.31Å; D62-L66 WeakPolarHBondContact O-CB 3.32Å; D62-L66 WeakPolarHBondContact O-CD1 3.23Å; D62-L66 VanDerWaalsContact O-CG 3.22Å; D62-L66 WeakPolarHBondContact O-CG 3.49Å; D62-L66 PolarHBondContact O-N 3.46Å; L63-L66 PolarHBondContact O-N 2.94Å; I64-L66 PolarHBondContact O-N 3.16Å; L66-R69 WeakPolarHBondContact O-CG 3.21Å; L66-R69 PolarHBondContact O-NH1 3.46Å; L66-V109 HydrophobicContact CD1-CG1 3.85Å; L66-V109 HydrophobicContact CD1-CG2 4.26Å
67	F	89.7	Confident	86.6	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-90.8	-23	-176	-75.8	-70.8	0	0	0	113.9	I49 V51 L63 R69 Y70 I73 V87 F89 L98 F107 L116	I49-F67 HydrophobicContact CD1-CD1 4.37Å; I49-F67 HydrophobicContact CD1-CE1 4.08Å; V51-F67 HydrophobicContact CG1-CE2 4.31Å; V51-F67 HydrophobicContact CG1-CZ 4.27Å; V51-F67 HydrophobicContact CG2-CE2 3.71Å; V51-F67 HydrophobicContact CG2-CZ 3.75Å; L63-F67 HydrophobicContact CD2-CE2 4.09Å; L63-F67 WeakPolarHBondContact O-CB 3.39Å; L63-F67 WeakPolarHBondContact O-CD2 3.49Å; L63-F67 PolarHBondContact O-N 2.99Å; F67-R69 PolarHBondContact O-N 3.24Å; F67-Y70 HydrophobicContact CD1-CD2 4.45Å; F67-Y70 PolarHBondContact O-N 2.78Å; F67-I73 HydrophobicContact CB-CD1 3.6Å; F67-I73 HydrophobicContact CB-CG1 4.47Å; F67-V87 HydrophobicContact CB-CG1 4.19Å; F67-V87 HydrophobicContact CD2-CG1 4.43Å; F67-V87 HydrophobicContact CD2-CG2 4.06Å; F67-V87 HydrophobicContact CE2-CG2 4.36Å; F67-V87 HydrophobicContact CG-CG1 4.39Å; F67-F89 HydrophobicContact CB-CE1 4.42Å; F67-F89 HydrophobicContact CB-CZ 3.95Å; F67-F89 HydrophobicContact CD1-CZ 4.24Å; F67-F89 HydrophobicContact CG-CZ 4.4Å; F67-L98 HydrophobicContact CD1-CD1 3.79Å; F67-L98 HydrophobicContact CD1-CD2 4.42Å; F67-L98 HydrophobicContact CE1-CD1 4.19Å; F67-L98 HydrophobicContact CE1-CD2 4.34Å; F67-F107 HydrophobicContact CD1-CZ 4.14Å; F67-F107 AromaticContact CE1-CE1 3.83Å; F67-F107 HydrophobicContact CE1-CE1 3.83Å; F67-F107 HydrophobicContact CE1-CE2 4.12Å; F67-F107 AromaticContact CE1-CZ 3.51Å; F67-F107 HydrophobicContact CE1-CZ 3.51Å; F67-F107 HydrophobicContact CZ-CD1 4.47Å; F67-F107 AromaticContact CZ-CE1 3.78Å; F67-F107 HydrophobicContact CZ-CE1 3.78Å; F67-F107 AromaticContact CZ-CZ 3.97Å; F67-F107 HydrophobicContact CZ-CZ 3.97Å; F67-L116 HydrophobicContact CE1-CD1 4.11Å; F67-L116 HydrophobicContact CE1-CD2 4.2Å; F67-L116 HydrophobicContact CZ-CD1 4.48Å; F67-L116 HydrophobicContact CZ-CD2 3.82Å
68	S	87.5	Confident	87.1	Confident	57 Å²	57	65.3 Å²	65.3	40%	0.399	33%	0.325	S	S	.	.	H	α-helix	trans	-58.2	-25.7	179.2	-69.5	0	0	0	0	113.3	I64 Y70 G71	I64-S68 WeakPolarHBondContact O-CB 3.33Å; I64-S68 PolarHBondContact O-N 2.89Å; I64-S68 PolarHBondContact O-OG 2.61Å; S68-Y70 PolarHBondContact O-N 2.73Å; S68-G71 WeakPolarHBondContact CA-O 3.23Å; S68-G71 PolarHBondContact O-N 2.76Å
69	R	84.7	Confident	87.1	Confident	150 Å²	150	64.8 Å²	64.8	57%	0.566	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-11.4	175.2	81	-170.7	-164.6	-112.7	13.2	114.7	L66 F67	L66-R69 WeakPolarHBondContact O-CG 3.21Å; L66-R69 PolarHBondContact O-NH1 3.46Å; F67-R69 PolarHBondContact O-N 3.24Å
70	Y	85.4	Confident	86.9	Confident	73 Å²	73	62.6 Å²	62.6	29%	0.286	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-20.2	178.3	-65.9	-80.3	0	0	0	113.4	F67 S68 P94 L98 M101 F107	F67-Y70 HydrophobicContact CD1-CD2 4.45Å; F67-Y70 PolarHBondContact O-N 2.78Å; S68-Y70 PolarHBondContact O-N 2.73Å; Y70-P94 WeakPolarHBondContact O-CB 3.41Å; Y70-L98 HydrophobicContact CD1-CD2 3.78Å; Y70-L98 HydrophobicContact CD1-CG 4.28Å; Y70-L98 HydrophobicContact CD2-CD1 4.33Å; Y70-L98 HydrophobicContact CD2-CD2 3.73Å; Y70-L98 HydrophobicContact CD2-CG 4.44Å; Y70-L98 HydrophobicContact CE1-CD2 3.91Å; Y70-L98 HydrophobicContact CE2-CD2 3.84Å; Y70-L98 HydrophobicContact CG-CD1 4.15Å; Y70-L98 HydrophobicContact CG-CD2 3.69Å; Y70-L98 HydrophobicContact CG-CG 4.07Å; Y70-M101 HydrophobicContact CE1-CE 4.03Å; Y70-F107 AromaticContact CE2-CE2 3.71Å; Y70-F107 HydrophobicContact CE2-CE2 3.71Å; Y70-F107 AromaticContact CE2-CZ 3.76Å; Y70-F107 HydrophobicContact CE2-CZ 3.76Å; Y70-F107 AromaticContact CZ-CE2 3.82Å
71	G	84.1	Confident	86.4	Confident	18 Å²	18	65.6 Å²	65.6	19%	0.186	34%	0.337	C	S	.	.	S	Bend	trans	166.7	164.3	-179.3	0	0	0	0	0	111.5	S68 I73	S68-G71 WeakPolarHBondContact CA-O 3.23Å; S68-G71 PolarHBondContact O-N 2.76Å; G71-I73 PolarHBondContact O-N 2.76Å
72	Q	85.5	Confident	86.1	Confident	149 Å²	149	57.3 Å²	57.3	70%	0.696	32%	0.315	S	S	*	.			trans	-65.3	127.4	-179.6	-166	-177.7	35.9	0	0	110.9	F89 C90	Q72-F89 WeakPolarHBondContact O-CA 3.4Å; Q72-C90 HydrophobicContact CB-CB 4.29Å; Q72-C90 PolarHBondContact O-N 3.05Å; Q72-C90 PolarHBondContact OE1-SG 3.23Å
73	I	88.7	Confident	85.8	Confident	26 Å²	26	59.7 Å²	59.7	13%	0.133	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	131.6	175.5	-63.3	172.2	0	0	0	108.4	I64 F67 G71 N75 V87 E88 F89	I64-I73 HydrophobicContact CB-CD1 4.38Å; I64-I73 HydrophobicContact CG1-CG2 4.32Å; I64-I73 HydrophobicContact CG2-CD1 4.4Å; I64-I73 WeakPolarHBondContact O-CD1 3.09Å; F67-I73 HydrophobicContact CB-CD1 3.6Å; F67-I73 HydrophobicContact CB-CG1 4.47Å; G71-I73 PolarHBondContact O-N 2.76Å; I73-N75 VanDerWaalsContact CG2-O 3.3Å; I73-N75 WeakPolarHBondContact CG2-O 3.3Å; I73-V87 HydrophobicContact CD1-CG1 4.01Å; I73-V87 HydrophobicContact CG1-CG1 4.19Å; I73-V87 HydrophobicContact CG2-CG1 4.25Å; I73-E88 WeakPolarHBondContact CG2-O 3.39Å; I73-F89 HydrophobicContact CG1-CD1 4.11Å; I73-F89 HydrophobicContact CG1-CE1 3.95Å
74	K	85.7	Confident	85.7	Confident	123 Å²	123	59.7 Å²	59.7	54%	0.535	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	-42.2	172.9	177.1	-178.9	159.6	-156.7	0	110.8	E88	K74-E88 HydrophobicContact CB-CG 4.46Å; K74-E88 HydrophobicContact CD-CG 4.39Å; K74-E88 WeakPolarHBondContact CD-OE1 3.44Å; K74-E88 WeakPolarHBondContact CE-OE1 3.44Å; K74-E88 PolarHBondContact N-O 3.12Å; K74-E88 IonicContact NZ-OE1 3.85Å; K74-E88 PolarHBondContact NZ-OE1 2.78Å
75	N	87.4	Confident	85.8	Confident	42 Å²	42	56.5 Å²	56.5	23%	0.225	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	160.9	-179.8	-157.1	-2.8	0	0	0	111.8	I73 E88 I123	I73-N75 VanDerWaalsContact CG2-O 3.3Å; I73-N75 WeakPolarHBondContact CG2-O 3.3Å; N75-E88 PolarHBondContact N-O 3.22Å; N75-E88 PolarHBondContact O-N 3.14Å; N75-I123 HydrophobicContact CB-CB 4Å; N75-I123 HydrophobicContact CB-CD1 4.35Å; N75-I123 HydrophobicContact CB-CG2 4.2Å; N75-I123 WeakPolarHBondContact ND2-CG2 3.33Å; N75-I123 PolarHBondContact ND2-O 2.97Å
76	A	89.9	Confident	86.2	Confident	9 Å²	9	54.6 Å²	54.6	7%	0.074	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	145.6	171.5	0	0	0	0	0	110.8	I64 L86 V87	I64-A76 HydrophobicContact CD1-CB 4.09Å; I64-A76 HydrophobicContact CG1-CB 3.69Å; A76-L86 CarbonylContact C-O 3.48Å; A76-L86 VanDerWaalsContact CA-O 3.29Å; A76-L86 WeakPolarHBondContact CA-O 3.29Å; A76-V87 HydrophobicContact CB-CG2 4.37Å
77	K	89.3	Confident	86.4	Confident	86 Å²	86	52.1 Å²	52.1	37%	0.374	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	131.8	-176.3	-175.6	173.6	-179	178.4	0	111.4	A85 L86 I123	K77-A85 CarbonylContact O-C 3.59Å; K77-A85 WeakPolarHBondContact O-CA 3.37Å; K77-L86 PolarHBondContact N-O 3.14Å; K77-L86 PolarHBondContact O-N 3.37Å; K77-I123 HydrophobicContact CB-CG2 3.74Å; K77-I123 HydrophobicContact CD-CG2 4.19Å
78	L	88.7	Confident	86.5	Confident	47 Å²	47	52.6 Å²	52.6	25%	0.246	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	141.1	169.8	-69.1	167	0	0	0	111	E60 L63 A85	E60-L78 HydrophobicContact CG-CG 4.37Å; E60-L78 VanDerWaalsContact OE1-CB 3.31Å; E60-L78 WeakPolarHBondContact OE1-CB 3.15Å; E60-L78 WeakPolarHBondContact OE1-CD1 3.23Å; E60-L78 VanDerWaalsContact OE1-CG 3.26Å; E60-L78 WeakPolarHBondContact OE1-CG 3.49Å; E60-L78 PolarHBondContact OE1-N 3.49Å; L63-L78 HydrophobicContact CD1-CD2 4.04Å; L78-A85 HydrophobicContact CD2-CB 4.21Å
79	V	84.2	Confident	86.7	Confident	9 Å²	9	50 Å²	50	6%	0.055	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	177.1	179.5	-64.6	0	0	0	0	110.1	L40 S81 G82 A84 L86	L40-V79 HydrophobicContact CD1-CB 4.47Å; L40-V79 HydrophobicContact CD1-CG2 3.69Å; V79-S81 PolarHBondContact O-N 3.44Å; V79-S81 VanDerWaalsContact O-N 3.11Å; V79-G82 PolarHBondContact O-N 2.76Å; V79-A84 CarbonylContact C-O 3.4Å; V79-A84 HydrophobicContact CG2-CB 4.01Å; V79-A84 PolarHBondContact N-O 2.88Å; V79-A84 PolarHBondContact O-N 2.57Å; V79-L86 HydrophobicContact CG1-CD1 4.15Å; V79-L86 HydrophobicContact CG1-CG 4.21Å; V79-L86 HydrophobicContact CG2-CG 4.35Å
80	C	82.1	Confident	86.7	Confident	9 Å²	9	45.8 Å²	45.8	6%	0.061	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	53.8	36.9	176.3	-50.2	0	0	0	0	113.5	D36 I37 L40 G82 R83 A84	D36-C80 PolarHBondContact O-SG 3.26Å; D36-C80 VanDerWaalsContact OD2-CB 3.31Å; D36-C80 WeakPolarHBondContact OD2-CB 3.19Å; I37-C80 HydrophobicContact CG1-CB 4.34Å; L40-C80 VanDerWaalsContact CD1-SG 3.58Å; C80-G82 VanDerWaalsContact C-N 3.3Å; C80-G82 PolarHBondContact O-N 3.14Å; C80-R83 HydrophobicContact CB-CB 4.41Å; C80-R83 WeakPolarHBondContact O-CB 3.38Å; C80-R83 WeakPolarHBondContact O-CG 3.42Å; C80-R83 PolarHBondContact O-N 3.1Å; C80-R83 PolarHBondContact O-NE 2.9Å; C80-A84 HydrophobicContact CB-CB 4.09Å
81	S	76.9	Confident	86.6	Confident	132 Å²	132	46.5 Å²	46.5	92%	0.923	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	55.7	36.8	-172.5	-55.3	0	0	0	0	114.6	V79	V79-S81 PolarHBondContact O-N 3.44Å; V79-S81 VanDerWaalsContact O-N 3.11Å
82	G	78.5	Confident	86.8	Confident	30 Å²	30	48.2 Å²	48.2	31%	0.309	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	89.9	-6.8	178.2	0	0	0	0	0	114.8	V79 C80 A84	V79-G82 PolarHBondContact O-N 2.76Å; C80-G82 VanDerWaalsContact C-N 3.3Å; C80-G82 PolarHBondContact O-N 3.14Å; G82-A84 PolarHBondContact O-N 3.4Å
83	R	82.2	Confident	86.7	Confident	122 Å²	122	43.7 Å²	43.7	46%	0.46	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-17.2	178	-58.4	-174.4	-62	145.2	-1.4	113.3	D36 D53 I54 C80	D36-R83 IonicContact OD1-CZ 3.2Å; D36-R83 IonicContact OD1-NH2 3.23Å; D36-R83 PolarHBondContact OD1-NH2 3.23Å; D36-R83 IonicContact OD2-CZ 2.74Å; D36-R83 IonicContact OD2-NH2 3.68Å; D36-R83 PolarHBondContact OD2-NH2 3.45Å; D53-R83 PolarHBondContact N-O 2.98Å; D53-R83 VanDerWaalsContact N-O 3.15Å; I54-R83 PolarHBondContact N-O 3.36Å; C80-R83 HydrophobicContact CB-CB 4.41Å; C80-R83 WeakPolarHBondContact O-CB 3.38Å; C80-R83 WeakPolarHBondContact O-CG 3.42Å; C80-R83 PolarHBondContact O-N 3.1Å; C80-R83 PolarHBondContact O-NE 2.9Å
84	A	87.9	Confident	86.7	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	167.6	175.2	0	0	0	0	0	111.3	V50 V51 A52 V79 C80 G82	V50-A84 HydrophobicContact CG2-CB 4.22Å; V51-A84 CarbonylContact O-C 3.55Å; V51-A84 WeakPolarHBondContact O-CA 3.28Å; V51-A84 VanDerWaalsContact O-CB 3.3Å; V51-A84 WeakPolarHBondContact O-CB 3.5Å; A52-A84 HydrophobicContact CB-CB 4.34Å; V79-A84 CarbonylContact C-O 3.4Å; V79-A84 HydrophobicContact CG2-CB 4.01Å; V79-A84 PolarHBondContact N-O 2.88Å; V79-A84 PolarHBondContact O-N 2.57Å; C80-A84 HydrophobicContact CB-CB 4.09Å; G82-A84 PolarHBondContact O-N 3.4Å
85	A	90.7	Very high	86.9	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	150.1	175.5	0	0	0	0	0	110.9	V50 V51 I54 L63 K77 L78	V50-A85 WeakPolarHBondContact CA-O 3.37Å; V51-A85 PolarHBondContact N-O 2.79Å; V51-A85 PolarHBondContact O-N 3.48Å; I54-A85 HydrophobicContact CD1-CB 3.43Å; I54-A85 VanDerWaalsContact CD1-CB 3.43Å; L63-A85 HydrophobicContact CD1-CB 3.34Å; K77-A85 CarbonylContact O-C 3.59Å; K77-A85 WeakPolarHBondContact O-CA 3.37Å; L78-A85 HydrophobicContact CD2-CB 4.21Å
86	L	92.4	Very high	86.8	Confident	13 Å²	13	38 Å²	38	7%	0.068	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	134.9	164.8	-63.7	173.7	0	0	0	108.8	L40 T48 I49 V50 A76 K77 V79 S119 E121 I123	L40-L86 HydrophobicContact CD2-CD2 4.39Å; T48-L86 HydrophobicContact CG2-CB 4.07Å; T48-L86 HydrophobicContact CG2-CD2 4.07Å; I49-L86 WeakPolarHBondContact O-CA 3.44Å; V50-L86 HydrophobicContact CB-CD2 4.13Å; A76-L86 CarbonylContact C-O 3.48Å; A76-L86 VanDerWaalsContact CA-O 3.29Å; A76-L86 WeakPolarHBondContact CA-O 3.29Å; K77-L86 PolarHBondContact N-O 3.14Å; K77-L86 PolarHBondContact O-N 3.37Å; V79-L86 HydrophobicContact CG1-CD1 4.15Å; V79-L86 HydrophobicContact CG1-CG 4.21Å; V79-L86 HydrophobicContact CG2-CG 4.35Å; L86-S119 WeakPolarHBondContact CD2-OG 3.47Å; L86-E121 HydrophobicContact CD1-CB 3.65Å; L86-E121 HydrophobicContact CD1-CG 4.14Å; L86-E121 HydrophobicContact CD2-CB 4.35Å; L86-I123 HydrophobicContact CB-CD1 3.58Å; L86-I123 HydrophobicContact CB-CG1 3.84Å; L86-I123 HydrophobicContact CD1-CG1 4.42Å; L86-I123 WeakPolarHBondContact O-CD1 3.49Å
87	V	92.7	Very high	86.6	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	115.8	172.7	-177.9	0	0	0	0	108.2	T48 I49 V51 L63 F67 I73 A76 F89	T48-V87 WeakPolarHBondContact CA-O 3.34Å; I49-V87 HydrophobicContact CG1-CB 4.05Å; I49-V87 PolarHBondContact N-O 2.7Å; I49-V87 PolarHBondContact O-N 2.82Å; V51-V87 HydrophobicContact CG2-CG2 3.94Å; L63-V87 HydrophobicContact CB-CG2 4.5Å; F67-V87 HydrophobicContact CB-CG1 4.19Å; F67-V87 HydrophobicContact CD2-CG1 4.43Å; F67-V87 HydrophobicContact CD2-CG2 4.06Å; F67-V87 HydrophobicContact CE2-CG2 4.36Å; F67-V87 HydrophobicContact CG-CG1 4.39Å; I73-V87 HydrophobicContact CD1-CG1 4.01Å; I73-V87 HydrophobicContact CG1-CG1 4.19Å; I73-V87 HydrophobicContact CG2-CG1 4.25Å; A76-V87 HydrophobicContact CB-CG2 4.37Å; V87-F89 HydrophobicContact CG1-CD2 4.45Å; V87-F89 HydrophobicContact CG1-CE2 3.91Å; V87-F89 HydrophobicContact CG1-CZ 4.17Å
88	E	92	Very high	86.5	Confident	10 Å²	10	42.6 Å²	42.6	5%	0.047	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	121.6	-177.8	-173.8	178.9	162.8	0	0	110.5	T48 I73 K74 N75 I123	T48-E88 HydrophobicContact CG2-CB 4.35Å; I73-E88 WeakPolarHBondContact CG2-O 3.39Å; K74-E88 HydrophobicContact CB-CG 4.46Å; K74-E88 HydrophobicContact CD-CG 4.39Å; K74-E88 WeakPolarHBondContact CD-OE1 3.44Å; K74-E88 WeakPolarHBondContact CE-OE1 3.44Å; K74-E88 PolarHBondContact N-O 3.12Å; K74-E88 IonicContact NZ-OE1 3.85Å; K74-E88 PolarHBondContact NZ-OE1 2.78Å; N75-E88 PolarHBondContact N-O 3.22Å; N75-E88 PolarHBondContact O-N 3.14Å; E88-I123 HydrophobicContact CB-CD1 3.78Å; E88-I123 HydrophobicContact CB-CG1 4.04Å; E88-I123 PolarHBondContact OE2-N 2.79Å
89	F	91.5	Very high	86.4	Confident	1 Å²	1	40.5 Å²	40.5	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	153.3	178	-68.1	-94	0	0	0	111.9	C47 I49 F67 Q72 I73 V87 E91 P94 P95 L98	C47-F89 PolarHBondContact O-N 2.91Å; I49-F89 HydrophobicContact CD1-CE2 3.87Å; I49-F89 HydrophobicContact CG1-CE2 4.09Å; F67-F89 HydrophobicContact CB-CE1 4.42Å; F67-F89 HydrophobicContact CB-CZ 3.95Å; F67-F89 HydrophobicContact CD1-CZ 4.24Å; F67-F89 HydrophobicContact CG-CZ 4.4Å; Q72-F89 WeakPolarHBondContact O-CA 3.4Å; I73-F89 HydrophobicContact CG1-CD1 4.11Å; I73-F89 HydrophobicContact CG1-CE1 3.95Å; V87-F89 HydrophobicContact CG1-CD2 4.45Å; V87-F89 HydrophobicContact CG1-CE2 3.91Å; V87-F89 HydrophobicContact CG1-CZ 4.17Å; F89-E91 VanDerWaalsContact CB-O 3.28Å; F89-E91 WeakPolarHBondContact CB-O 3.36Å; F89-E91 PolarHBondContact O-N 3.41Å; F89-P94 HydrophobicContact CD1-CB 3.79Å; F89-P94 HydrophobicContact CD1-CG 4.34Å; F89-P94 HydrophobicContact CE1-CB 4.02Å; F89-P94 HydrophobicContact CG-CB 4.24Å; F89-P95 HydrophobicContact CB-CG 4.29Å; F89-P95 HydrophobicContact CD2-CB 3.84Å; F89-P95 HydrophobicContact CD2-CG 3.92Å; F89-P95 HydrophobicContact CE2-CB 4.15Å; F89-P95 HydrophobicContact CG-CG 4.33Å; F89-L98 HydrophobicContact CE1-CD1 4.3Å; F89-L98 HydrophobicContact CE2-CD1 3.96Å; F89-L98 HydrophobicContact CZ-CD1 3.46Å; F89-L98 VanDerWaalsContact CZ-CD1 3.46Å
90	C	85.4	Confident	86.2	Confident	63 Å²	63	46.3 Å²	46.3	43%	0.426	25%	0.246	S	C	.	.	S	Bend	trans	-64.9	-23.7	171.9	-60.2	0	0	0	0	112.9	Q72	Q72-C90 HydrophobicContact CB-CB 4.29Å; Q72-C90 PolarHBondContact O-N 3.05Å; Q72-C90 PolarHBondContact OE1-SG 3.23Å
91	E	82.4	Confident	86	Confident	88 Å²	88	49 Å²	49	41%	0.411	26%	0.258	S	S	.	.	S	Bend	trans	-123.4	151.9	176.2	-85.2	-152.7	-172.5	0	0	111.7	F89 S93 P94 P95 K611	F89-E91 VanDerWaalsContact CB-O 3.28Å; F89-E91 WeakPolarHBondContact CB-O 3.36Å; F89-E91 PolarHBondContact O-N 3.41Å; E91-S93 VanDerWaalsContact C-N 3.27Å; E91-S93 PolarHBondContact O-N 2.92Å; E91-S93 WeakPolarHBondContact OE2-CB 3.35Å; E91-S93 PolarHBondContact OE2-OG 2.84Å; E91-P94 HydrophobicContact CB-CG 4.38Å; E91-P94 WeakPolarHBondContact O-CD 3.18Å; E91-P95 WeakPolarHBondContact O-CD 3.47Å; E91-P95 WeakPolarHBondContact O-CG 3.16Å; E91-K611 IonicContact OE1-NZ 3.51Å; E91-K611 PolarHBondContact OE1-NZ 3.47Å; E91-K611 IonicContact OE2-NZ 2.95Å
92	I	87.8	Confident	86.2	Confident	54 Å²	54	43.7 Å²	43.7	28%	0.277	22%	0.222	S	C	.	.	S	Bend	trans	-73.1	-16.3	168.2	-166.2	162.7	0	0	0	113.3	P45 P95 T96	P45-I92 HydrophobicContact CB-CD1 4.17Å; P45-I92 HydrophobicContact CB-CG1 4.48Å; I92-P95 WeakPolarHBondContact O-CD 3.32Å; I92-P95 WeakPolarHBondContact O-CG 3.32Å; I92-T96 VanDerWaalsContact O-CB 3.28Å; I92-T96 WeakPolarHBondContact O-CB 3.43Å; I92-T96 PolarHBondContact O-N 3.09Å; I92-T96 PolarHBondContact O-OG1 3.15Å
93	S	84	Confident	85.8	Confident	53 Å²	53	48.8 Å²	48.8	37%	0.371	24%	0.236	S	C	.	.	H	α-helix	trans	-69.9	-49	-174.9	-36.5	0	0	0	0	113.5	E91 R97	E91-S93 VanDerWaalsContact C-N 3.27Å; E91-S93 PolarHBondContact O-N 2.92Å; E91-S93 WeakPolarHBondContact OE2-CB 3.35Å; E91-S93 PolarHBondContact OE2-OG 2.84Å; S93-R97 PolarHBondContact O-N 3.19Å; S93-R97 VanDerWaalsContact O-N 3.1Å
94	P	88.3	Confident	85.4	Confident	18 Å²	18	48.8 Å²	48.8	12%	0.117	24%	0.244	C	C	.	.	H	α-helix	trans	-57.3	-52.4	173.6	-23.8	34.7	0	0	0	115.3	Y70 F89 E91 T96 R97 L98	Y70-P94 WeakPolarHBondContact O-CB 3.41Å; F89-P94 HydrophobicContact CD1-CB 3.79Å; F89-P94 HydrophobicContact CD1-CG 4.34Å; F89-P94 HydrophobicContact CE1-CB 4.02Å; F89-P94 HydrophobicContact CG-CB 4.24Å; E91-P94 HydrophobicContact CB-CG 4.38Å; E91-P94 WeakPolarHBondContact O-CD 3.18Å; P94-T96 VanDerWaalsContact C-N 3.31Å; P94-T96 PolarHBondContact O-N 2.89Å; P94-R97 PolarHBondContact O-N 2.8Å; P94-R97 VanDerWaalsContact O-N 3.17Å; P94-L98 PolarHBondContact O-N 2.77Å
95	P	89.9	Confident	84.5	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.3	-36.3	-179.1	23	-31.5	0	0	0	111.9	S46 I49 F89 E91 I92 R97 L98 V99	S46-P95 WeakPolarHBondContact O-CG 3.4Å; I49-P95 HydrophobicContact CG2-CB 3.45Å; I49-P95 VanDerWaalsContact CG2-CB 3.45Å; F89-P95 HydrophobicContact CB-CG 4.29Å; F89-P95 HydrophobicContact CD2-CB 3.84Å; F89-P95 HydrophobicContact CD2-CG 3.92Å; F89-P95 HydrophobicContact CE2-CB 4.15Å; F89-P95 HydrophobicContact CG-CG 4.33Å; E91-P95 WeakPolarHBondContact O-CD 3.47Å; E91-P95 WeakPolarHBondContact O-CG 3.16Å; I92-P95 WeakPolarHBondContact O-CD 3.32Å; I92-P95 WeakPolarHBondContact O-CG 3.32Å; P95-R97 VanDerWaalsContact C-N 3.35Å; P95-R97 PolarHBondContact O-N 3.21Å; P95-L98 PolarHBondContact O-N 2.8Å; P95-V99 WeakPolarHBondContact O-CG2 3.25Å; P95-V99 PolarHBondContact O-N 2.77Å
96	T	85.9	Confident	83.5	Confident	54 Å²	54	57.2 Å²	57.2	33%	0.331	29%	0.293	S	S	.	.	H	α-helix	trans	-61.8	-42.2	174.6	-58.1	0	0	0	0	112	I92 P94 H100 F118	I92-T96 VanDerWaalsContact O-CB 3.28Å; I92-T96 WeakPolarHBondContact O-CB 3.43Å; I92-T96 PolarHBondContact O-N 3.09Å; I92-T96 PolarHBondContact O-OG1 3.15Å; P94-T96 VanDerWaalsContact C-N 3.31Å; P94-T96 PolarHBondContact O-N 2.89Å; T96-H100 WeakPolarHBondContact O-CB 3.43Å; T96-H100 PolarHBondContact O-N 3.41Å; T96-F118 HydrophobicContact CG2-CZ 4.37Å
97	R	84.8	Confident	82.9	Confident	189 Å²	189	57 Å²	57	71%	0.713	29%	0.292	S	S	*	.	H	α-helix	trans	-66.6	-40.4	174.8	-171.2	-179.9	-67.6	169.7	-1.2	111.7	S93 P94 P95 M101	S93-R97 PolarHBondContact O-N 3.19Å; S93-R97 VanDerWaalsContact O-N 3.1Å; P94-R97 PolarHBondContact O-N 2.8Å; P94-R97 VanDerWaalsContact O-N 3.17Å; P95-R97 VanDerWaalsContact C-N 3.35Å; P95-R97 PolarHBondContact O-N 3.21Å; R97-M101 VanDerWaalsContact O-CB 3.24Å; R97-M101 WeakPolarHBondContact O-CB 3.21Å; R97-M101 PolarHBondContact O-N 3.24Å
98	L	87.7	Confident	82.1	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-63.2	-54	179.3	-83.3	166.8	0	0	0	112.9	I49 F67 Y70 F89 P94 P95 H100 M101 A102 F107 L116	I49-L98 HydrophobicContact CD1-CD1 4.2Å; F67-L98 HydrophobicContact CD1-CD1 3.79Å; F67-L98 HydrophobicContact CD1-CD2 4.42Å; F67-L98 HydrophobicContact CE1-CD1 4.19Å; F67-L98 HydrophobicContact CE1-CD2 4.34Å; Y70-L98 HydrophobicContact CD1-CD2 3.78Å; Y70-L98 HydrophobicContact CD1-CG 4.28Å; Y70-L98 HydrophobicContact CD2-CD1 4.33Å; Y70-L98 HydrophobicContact CD2-CD2 3.73Å; Y70-L98 HydrophobicContact CD2-CG 4.44Å; Y70-L98 HydrophobicContact CE1-CD2 3.91Å; Y70-L98 HydrophobicContact CE2-CD2 3.84Å; Y70-L98 HydrophobicContact CG-CD1 4.15Å; Y70-L98 HydrophobicContact CG-CD2 3.69Å; Y70-L98 HydrophobicContact CG-CG 4.07Å; F89-L98 HydrophobicContact CE1-CD1 4.3Å; F89-L98 HydrophobicContact CE2-CD1 3.96Å; F89-L98 HydrophobicContact CZ-CD1 3.46Å; F89-L98 VanDerWaalsContact CZ-CD1 3.46Å; P94-L98 PolarHBondContact O-N 2.77Å; P95-L98 PolarHBondContact O-N 2.8Å; L98-H100 VanDerWaalsContact C-N 3.25Å; L98-H100 PolarHBondContact O-N 2.84Å; L98-M101 PolarHBondContact O-N 3.34Å; L98-A102 WeakPolarHBondContact O-CB 3.35Å; L98-A102 PolarHBondContact O-N 2.74Å; L98-F107 HydrophobicContact CD2-CD2 4.33Å; L98-F107 HydrophobicContact CD2-CE2 3.63Å; L98-F107 HydrophobicContact CD2-CZ 4.41Å; L98-L116 HydrophobicContact CB-CD1 4.35Å; L98-L116 HydrophobicContact CD2-CD1 4.33Å
99	V	86.4	Confident	81.3	Confident	3 Å²	3	61.3 Å²	61.3	2%	0.018	32%	0.315	C	S	.	.	H	α-helix	trans	-62.3	-34.3	180	173.4	0	0	0	0	111.2	I49 P95 K103 L116 F118	I49-V99 HydrophobicContact CG2-CG2 3.63Å; P95-V99 WeakPolarHBondContact O-CG2 3.25Å; P95-V99 PolarHBondContact O-N 2.77Å; V99-K103 WeakPolarHBondContact O-CG 3.25Å; V99-L116 HydrophobicContact CG2-CB 4.36Å; V99-F118 HydrophobicContact CB-CE1 4.15Å; V99-F118 HydrophobicContact CB-CE2 4.16Å; V99-F118 HydrophobicContact CB-CZ 3.92Å; V99-F118 HydrophobicContact CG1-CD2 4.13Å; V99-F118 HydrophobicContact CG1-CE2 3.82Å; V99-F118 HydrophobicContact CG1-CZ 4.1Å; V99-F118 HydrophobicContact CG2-CD1 4.04Å; V99-F118 HydrophobicContact CG2-CE1 3.98Å; V99-F118 HydrophobicContact CG2-CG 4.36Å; V99-F118 HydrophobicContact CG2-CZ 4.24Å
100	H	80.2	Confident	80.5	Confident	132 Å²	132	64.1 Å²	64.1	61%	0.611	34%	0.344	S	S	*	.	H	α-helix	trans	-73.7	-40.3	175.4	-156.3	89.3	0	0	0	112.4	T96 L98 K103	T96-H100 WeakPolarHBondContact O-CB 3.43Å; T96-H100 PolarHBondContact O-N 3.41Å; L98-H100 VanDerWaalsContact C-N 3.25Å; L98-H100 PolarHBondContact O-N 2.84Å; H100-K103 PolarHBondContact O-N 2.83Å
101	M	77.9	Confident	80.1	Confident	64 Å²	64	66.7 Å²	66.7	32%	0.315	36%	0.36	S	S	.	.	H	α-helix	trans	-65.9	-37.3	176.5	-170.7	-175.7	77.1	0	0	112	Y70 R97 L98 K103 I104 N105 F107	Y70-M101 HydrophobicContact CE1-CE 4.03Å; R97-M101 VanDerWaalsContact O-CB 3.24Å; R97-M101 WeakPolarHBondContact O-CB 3.21Å; R97-M101 PolarHBondContact O-N 3.24Å; L98-M101 PolarHBondContact O-N 3.34Å; M101-K103 PolarHBondContact O-N 2.61Å; M101-I104 PolarHBondContact O-N 3.1Å; M101-N105 PolarHBondContact O-N 3.16Å; M101-F107 HydrophobicContact CE-CD2 4.25Å; M101-F107 HydrophobicContact CE-CE2 4.37Å
102	A	81	Confident	79.8	Confident	22 Å²	22	65.4 Å²	65.4	18%	0.182	36%	0.356	C	S	.	.	H	α-helix	trans	-59.8	-25.7	177.2	0	0	0	0	0	113.6	L98 I104 N105 L116	L98-A102 WeakPolarHBondContact O-CB 3.35Å; L98-A102 PolarHBondContact O-N 2.74Å; A102-I104 VanDerWaalsContact C-N 3.28Å; A102-N105 WeakPolarHBondContact CA-O 3.44Å; A102-L116 HydrophobicContact CB-CB 4Å; A102-L116 HydrophobicContact CB-CD1 4.14Å; A102-L116 HydrophobicContact CB-CG 4.24Å
103	K	71.1	Confident	79.5	Confident	136 Å²	136	71.3 Å²	71.3	59%	0.591	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-8.7	177.8	-66	175.1	-171.5	-164.5	0	112.9	V99 H100 M101 E117	V99-K103 WeakPolarHBondContact O-CG 3.25Å; H100-K103 PolarHBondContact O-N 2.83Å; M101-K103 PolarHBondContact O-N 2.61Å; K103-E117 WeakPolarHBondContact CE-OE2 3.42Å; K103-E117 IonicContact NZ-OE2 3.76Å; K103-E117 PolarHBondContact NZ-OE2 3.3Å
104	I	72.9	Confident	79.6	Confident	123 Å²	123	69.2 Å²	69.2	63%	0.631	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-43.8	177.5	-54.8	175.1	0	0	0	110.6	M101 A102	M101-I104 PolarHBondContact O-N 3.1Å; A102-I104 VanDerWaalsContact C-N 3.28Å
105	N	68.8	Low	79.4	Confident	98 Å²	98	72.4 Å²	72.4	52%	0.524	37%	0.369	S	S	.	.	S	Bend	trans	-124.3	123.7	179.4	-68.3	-57.6	0	0	0	109.8	M101 A102 F107	M101-N105 PolarHBondContact O-N 3.16Å; A102-N105 WeakPolarHBondContact CA-O 3.44Å; N105-F107 PolarHBondContact O-N 2.88Å
106	P	71.4	Confident	79.3	Confident	78 Å²	78	72.6 Å²	72.6	51%	0.506	37%	0.37	S	S	.	.			trans	-63.8	128.7	179.6	26.8	-33.9	0	0	0	110.7
107	F	78.2	Confident	79.4	Confident	9 Å²	9	72 Å²	72	4%	0.039	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	141.4	179.3	-157	-81.2	0	0	0	110.2	F67 Y70 L98 M101 N105 V109 R113 V114 L116	F67-F107 HydrophobicContact CD1-CZ 4.14Å; F67-F107 AromaticContact CE1-CE1 3.83Å; F67-F107 HydrophobicContact CE1-CE1 3.83Å; F67-F107 HydrophobicContact CE1-CE2 4.12Å; F67-F107 AromaticContact CE1-CZ 3.51Å; F67-F107 HydrophobicContact CE1-CZ 3.51Å; F67-F107 HydrophobicContact CZ-CD1 4.47Å; F67-F107 AromaticContact CZ-CE1 3.78Å; F67-F107 HydrophobicContact CZ-CE1 3.78Å; F67-F107 AromaticContact CZ-CZ 3.97Å; F67-F107 HydrophobicContact CZ-CZ 3.97Å; Y70-F107 AromaticContact CE2-CE2 3.71Å; Y70-F107 HydrophobicContact CE2-CE2 3.71Å; Y70-F107 AromaticContact CE2-CZ 3.76Å; Y70-F107 HydrophobicContact CE2-CZ 3.76Å; Y70-F107 AromaticContact CZ-CE2 3.82Å; L98-F107 HydrophobicContact CD2-CD2 4.33Å; L98-F107 HydrophobicContact CD2-CE2 3.63Å; L98-F107 HydrophobicContact CD2-CZ 4.41Å; M101-F107 HydrophobicContact CE-CD2 4.25Å; M101-F107 HydrophobicContact CE-CE2 4.37Å; N105-F107 PolarHBondContact O-N 2.88Å; F107-V109 HydrophobicContact CD1-CG2 4.34Å; F107-V109 HydrophobicContact CE1-CG2 4.29Å; F107-R113 WeakPolarHBondContact O-CA 3.48Å; F107-V114 HydrophobicContact CB-CG2 3.99Å; F107-V114 HydrophobicContact CD1-CG2 3.59Å; F107-V114 HydrophobicContact CG-CG2 4.21Å; F107-V114 PolarHBondContact O-N 2.73Å; F107-L116 HydrophobicContact CB-CD1 4.07Å; F107-L116 HydrophobicContact CB-CG 4.38Å; F107-L116 HydrophobicContact CD1-CD1 4.41Å; F107-L116 HydrophobicContact CD2-CD1 3.69Å; F107-L116 HydrophobicContact CE2-CD1 4.16Å; F107-L116 HydrophobicContact CG-CD1 3.82Å; F107-L116 HydrophobicContact CG-CG 4.5Å
108	L	76.4	Confident	79.5	Confident	97 Å²	97	64.1 Å²	64.1	51%	0.508	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	135	-178.4	-68.8	169.4	0	0	0	110.9	N112 R113	L108-N112 WeakPolarHBondContact CA-O 3.45Å; L108-R113 HydrophobicContact CD2-CB 4.43Å; L108-R113 HydrophobicContact CD2-CG 3.6Å
109	V	76.1	Confident	79.3	Confident	3 Å²	3	64 Å²	64	2%	0.018	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	106.4	167.4	175.2	0	0	0	0	106.5	P55 L66 F107 N112 V114	P55-V109 HydrophobicContact CG-CG1 3.97Å; L66-V109 HydrophobicContact CD1-CG1 3.85Å; L66-V109 HydrophobicContact CD1-CG2 4.26Å; F107-V109 HydrophobicContact CD1-CG2 4.34Å; F107-V109 HydrophobicContact CE1-CG2 4.29Å; V109-N112 PolarHBondContact N-O 3.01Å; V109-N112 PolarHBondContact O-N 2.86Å; V109-N112 VanDerWaalsContact O-N 3.12Å; V109-V114 HydrophobicContact CB-CG1 3.73Å; V109-V114 HydrophobicContact CG2-CB 4.32Å; V109-V114 HydrophobicContact CG2-CG1 3.64Å; V109-V114 HydrophobicContact CG2-CG2 3.71Å
110	G	74.4	Confident	78.9	Confident	61 Å²	61	67.4 Å²	67.4	63%	0.629	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	-129.5	-166.8	0	0	0	0	0	111.1
111	P	75.6	Confident	78.8	Confident	116 Å²	116	65 Å²	65	75%	0.753	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-17.2	176.9	33.3	-34.8	0	0	0	113.8
112	N	77.8	Confident	78.6	Confident	62 Å²	62	66.1 Å²	66.1	33%	0.332	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	141.5	-170.8	-77.9	21.7	0	0	0	112.3	D53 P55 L108 V109 V114	D53-N112 PolarHBondContact O-ND2 2.88Å; P55-N112 WeakPolarHBondContact CA-ND2 3.42Å; P55-N112 HydrophobicContact CB-CB 4.3Å; P55-N112 HydrophobicContact CG-CB 4.45Å; L108-N112 WeakPolarHBondContact CA-O 3.45Å; V109-N112 PolarHBondContact N-O 3.01Å; V109-N112 PolarHBondContact O-N 2.86Å; V109-N112 VanDerWaalsContact O-N 3.12Å; N112-V114 PolarHBondContact O-N 3.45Å
113	R	80.6	Confident	78.4	Confident	178 Å²	178	65.4 Å²	65.4	67%	0.672	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	108.8	166.4	-70.5	-179.9	179	-162.7	-1	108.9	F107 L108	F107-R113 WeakPolarHBondContact O-CA 3.48Å; L108-R113 HydrophobicContact CD2-CB 4.43Å; L108-R113 HydrophobicContact CD2-CG 3.6Å
114	V	86.6	Confident	77.9	Confident	8 Å²	8	63.9 Å²	63.9	5%	0.048	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	148.5	177.3	-62.7	0	0	0	0	111.3	V51 A52 I54 F107 V109 N112 L116	V51-V114 HydrophobicContact CG1-CB 3.93Å; V51-V114 HydrophobicContact CG1-CG1 4.17Å; V51-V114 HydrophobicContact CG1-CG2 4.06Å; A52-V114 CarbonylContact O-C 3.57Å; A52-V114 WeakPolarHBondContact O-CA 3.46Å; A52-V114 VanDerWaalsContact O-CB 3.22Å; A52-V114 WeakPolarHBondContact O-CB 3.37Å; I54-V114 HydrophobicContact CG1-CG1 4.41Å; F107-V114 HydrophobicContact CB-CG2 3.99Å; F107-V114 HydrophobicContact CD1-CG2 3.59Å; F107-V114 HydrophobicContact CG-CG2 4.21Å; F107-V114 PolarHBondContact O-N 2.73Å; V109-V114 HydrophobicContact CB-CG1 3.73Å; V109-V114 HydrophobicContact CG2-CB 4.32Å; V109-V114 HydrophobicContact CG2-CG1 3.64Å; V109-V114 HydrophobicContact CG2-CG2 3.71Å; N112-V114 PolarHBondContact O-N 3.45Å; V114-L116 HydrophobicContact CG2-CD2 4.16Å
115	R	83	Confident	76.9	Confident	85 Å²	85	62.5 Å²	62.5	32%	0.321	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	136.9	170.3	-67	-179	61.5	-177.6	-5.6	109.9	L33 V51 A52 D53 E117	L33-R115 VanDerWaalsContact CD2-NH1 3.34Å; V51-R115 WeakPolarHBondContact CA-O 3.27Å; A52-R115 HydrophobicContact CB-CB 4.36Å; A52-R115 PolarHBondContact N-O 3.23Å; A52-R115 PolarHBondContact O-N 2.82Å; D53-R115 VanDerWaalsContact OD2-CD 3.24Å; D53-R115 WeakPolarHBondContact OD2-CD 3.25Å; D53-R115 VanDerWaalsContact OD2-CG 3.31Å; D53-R115 WeakPolarHBondContact OD2-CG 3.46Å; R115-E117 IonicContact NH2-OE1 2.72Å; R115-E117 PolarHBondContact NH2-OE1 3.02Å
116	L	89.2	Confident	75.6	Confident	4 Å²	4	63.3 Å²	63.3	2%	0.021	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	115.9	176.4	-54.3	-175.7	0	0	0	109.2	I49 V51 F67 L98 V99 A102 F107 V114	I49-L116 HydrophobicContact CD1-CD2 4.41Å; V51-L116 HydrophobicContact CB-CD2 4.13Å; V51-L116 HydrophobicContact CG1-CD2 3.85Å; V51-L116 HydrophobicContact CG2-CD2 3.81Å; F67-L116 HydrophobicContact CE1-CD1 4.11Å; F67-L116 HydrophobicContact CE1-CD2 4.2Å; F67-L116 HydrophobicContact CZ-CD1 4.48Å; F67-L116 HydrophobicContact CZ-CD2 3.82Å; L98-L116 HydrophobicContact CB-CD1 4.35Å; L98-L116 HydrophobicContact CD2-CD1 4.33Å; V99-L116 HydrophobicContact CG2-CB 4.36Å; A102-L116 HydrophobicContact CB-CB 4Å; A102-L116 HydrophobicContact CB-CD1 4.14Å; A102-L116 HydrophobicContact CB-CG 4.24Å; F107-L116 HydrophobicContact CB-CD1 4.07Å; F107-L116 HydrophobicContact CB-CG 4.38Å; F107-L116 HydrophobicContact CD1-CD1 4.41Å; F107-L116 HydrophobicContact CD2-CD1 3.69Å; F107-L116 HydrophobicContact CE2-CD1 4.16Å; F107-L116 HydrophobicContact CG-CD1 3.82Å; F107-L116 HydrophobicContact CG-CG 4.5Å; V114-L116 HydrophobicContact CG2-CD2 4.16Å
117	E	86.5	Confident	74	Confident	41 Å²	41	66.4 Å²	66.4	19%	0.192	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	165.7	171.2	-51.8	-73.7	-174.9	0	0	109	V41 I49 V50 K103 R115	V41-E117 HydrophobicContact CG1-CB 3.97Å; V41-E117 HydrophobicContact CG1-CG 4.34Å; V41-E117 HydrophobicContact CG2-CB 4.15Å; V41-E117 HydrophobicContact CG2-CG 4.41Å; I49-E117 CarbonylContact C-O 3.58Å; I49-E117 VanDerWaalsContact CA-O 3.3Å; I49-E117 WeakPolarHBondContact CA-O 3.42Å; I49-E117 WeakPolarHBondContact CB-O 3.23Å; V50-E117 HydrophobicContact CG1-CB 4.16Å; V50-E117 PolarHBondContact N-O 3.11Å; V50-E117 PolarHBondContact O-N 3.37Å; K103-E117 WeakPolarHBondContact CE-OE2 3.42Å; K103-E117 IonicContact NZ-OE2 3.76Å; K103-E117 PolarHBondContact NZ-OE2 3.3Å; R115-E117 IonicContact NH2-OE1 2.72Å; R115-E117 PolarHBondContact NH2-OE1 3.02Å
118	F	88	Confident	71.8	Confident	24 Å²	24	72.3 Å²	72.3	11%	0.105	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	151.5	175.3	-60.2	-71.4	0	0	0	111.5	V41 T42 Q44 P45 I49 T96 V99	V41-F118 WeakPolarHBondContact CA-O 3.48Å; T42-F118 HydrophobicContact CG2-CB 3.88Å; T42-F118 PolarHBondContact N-O 2.91Å; Q44-F118 VanDerWaalsContact O-CB 3.29Å; Q44-F118 WeakPolarHBondContact O-CB 3.38Å; Q44-F118 WeakPolarHBondContact O-CG 3.17Å; P45-F118 HydrophobicContact CB-CE1 4.08Å; P45-F118 HydrophobicContact CB-CE2 4.26Å; P45-F118 HydrophobicContact CB-CZ 3.9Å; P45-F118 HydrophobicContact CG-CE2 4.18Å; P45-F118 HydrophobicContact CG-CZ 4.19Å; I49-F118 HydrophobicContact CG2-CD1 4.29Å; T96-F118 HydrophobicContact CG2-CZ 4.37Å; V99-F118 HydrophobicContact CB-CE1 4.15Å; V99-F118 HydrophobicContact CB-CE2 4.16Å; V99-F118 HydrophobicContact CB-CZ 3.92Å; V99-F118 HydrophobicContact CG1-CD2 4.13Å; V99-F118 HydrophobicContact CG1-CE2 3.82Å; V99-F118 HydrophobicContact CG1-CZ 4.1Å; V99-F118 HydrophobicContact CG2-CD1 4.04Å; V99-F118 HydrophobicContact CG2-CE1 3.98Å; V99-F118 HydrophobicContact CG2-CG 4.36Å; V99-F118 HydrophobicContact CG2-CZ 4.24Å
119	S	84.1	Confident	69.8	Low	0 Å²	0	79 Å²	79	0%	0	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	141.4	170.2	-169.4	0	0	0	0	112.1	L40 S46 T48 L86 E121	L40-S119 WeakPolarHBondContact O-CA 3.49Å; L40-S119 WeakPolarHBondContact O-CB 3.42Å; L40-S119 PolarHBondContact O-OG 2.76Å; S46-S119 WeakPolarHBondContact CB-O 3.45Å; S46-S119 PolarHBondContact OG-O 3.38Å; T48-S119 PolarHBondContact O-N 2.91Å; L86-S119 WeakPolarHBondContact CD2-OG 3.47Å; S119-E121 VanDerWaalsContact C-N 3.3Å; S119-E121 PolarHBondContact OG-N 3.03Å
120	S	76.5	Confident	67.6	Low	75 Å²	75	87 Å²	87	52%	0.524	46%	0.456	S	S	.	.			trans	-83	-6.8	171.2	39.9	0	0	0	0	113.2
121	E	78.4	Confident	65.8	Low	81 Å²	81	93.2 Å²	93.2	38%	0.379	47%	0.468	S	S	.	.			trans	-69.5	141.5	175.5	-66.7	-55.4	151	0	0	111.8	L40 T48 L86 S119	L40-E121 HydrophobicContact CD2-CG 3.81Å; T48-E121 WeakPolarHBondContact CB-O 3.34Å; T48-E121 WeakPolarHBondContact CG2-O 3.38Å; T48-E121 PolarHBondContact OG1-O 3.38Å; L86-E121 HydrophobicContact CD1-CB 3.65Å; L86-E121 HydrophobicContact CD1-CG 4.14Å; L86-E121 HydrophobicContact CD2-CB 4.35Å; S119-E121 VanDerWaalsContact C-N 3.3Å; S119-E121 PolarHBondContact OG-N 3.03Å
122	T	73.2	Confident	63.8	Low	88 Å²	88	96 Å²	96	54%	0.54	47%	0.472	S	S	.	.			trans	-107.4	130.6	169.4	-54.5	0	0	0	0	108	T124	T122-T124 PolarHBondContact O-N 2.78Å
123	I	77.8	Confident	61.6	Low	7 Å²	7	98 Å²	98	4%	0.036	49%	0.49	C	S	.	.			trans	-85.2	91.6	-176.1	-44.8	175.1	0	0	0	107.9	T48 N75 K77 L86 E88	T48-I123 HydrophobicContact CG2-CG1 4.38Å; N75-I123 HydrophobicContact CB-CB 4Å; N75-I123 HydrophobicContact CB-CD1 4.35Å; N75-I123 HydrophobicContact CB-CG2 4.2Å; N75-I123 WeakPolarHBondContact ND2-CG2 3.33Å; N75-I123 PolarHBondContact ND2-O 2.97Å; K77-I123 HydrophobicContact CB-CG2 3.74Å; K77-I123 HydrophobicContact CD-CG2 4.19Å; L86-I123 HydrophobicContact CB-CD1 3.58Å; L86-I123 HydrophobicContact CB-CG1 3.84Å; L86-I123 HydrophobicContact CD1-CG1 4.42Å; L86-I123 WeakPolarHBondContact O-CD1 3.49Å; E88-I123 HydrophobicContact CB-CD1 3.78Å; E88-I123 HydrophobicContact CB-CG1 4.04Å; E88-I123 PolarHBondContact OE2-N 2.79Å
124	T	61	Low	59.2	Low	103 Å²	103	98.7 Å²	98.7	63%	0.632	50%	0.501	S	S	*	.			trans	-51.5	125.9	170.2	45.4	0	0	0	0	109.4	T122 V126	T122-T124 PolarHBondContact O-N 2.78Å; T124-V126 PolarHBondContact O-N 2.93Å; T124-V126 VanDerWaalsContact O-N 3.08Å
125	P	51.4	Low	56.7	Low	94 Å²	94	102.6 Å²	102.6	61%	0.61	53%	0.529	S	S	*	.			trans	-69.9	110.6	179.3	27.5	-32.5	0	0	0	108.7	I127	P125-I127 PolarHBondContact O-N 2.83Å
126	V	42.4	Very low	54.3	Low	116 Å²	116	103.2 Å²	103.2	70%	0.703	55%	0.546	S	S	*	.			trans	-59.7	113.4	162.6	179.5	0	0	0	0	106.1	T124 D128	T124-V126 PolarHBondContact O-N 2.93Å; T124-V126 VanDerWaalsContact O-N 3.08Å; V126-D128 VanDerWaalsContact C-N 3.28Å; V126-D128 PolarHBondContact O-N 3.42Å
127	I	37.3	Very low	51.6	Low	142 Å²	142	108.2 Å²	108.2	73%	0.728	59%	0.588	S	S	*	*			trans	-72.6	88.2	-176.5	-57.6	178.7	0	0	0	108.3	P125 R129	P125-I127 PolarHBondContact O-N 2.83Å; I127-R129 VanDerWaalsContact O-CG 3.27Å; I127-R129 WeakPolarHBondContact O-CG 3.24Å; I127-R129 PolarHBondContact O-N 3.45Å
128	D	32.3	Very low	49.3	Very low	133 Å²	133	112.7 Å²	112.7	71%	0.711	61%	0.613	S	S	*	*			trans	-67.2	115.6	178.3	-161	-6.5	0	0	0	109.2	V126 K130	V126-D128 VanDerWaalsContact C-N 3.28Å; V126-D128 PolarHBondContact O-N 3.42Å; D128-K130 PolarHBondContact O-N 3.19Å
129	R	33.4	Very low	47.3	Very low	237 Å²	237	117.5 Å²	117.5	89%	0.894	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	47.5	-149.9	-57	-178.2	-174.1	169.9	2	114	I127	I127-R129 VanDerWaalsContact O-CG 3.27Å; I127-R129 WeakPolarHBondContact O-CG 3.24Å; I127-R129 PolarHBondContact O-N 3.45Å
130	K	31.2	Very low	45.6	Very low	173 Å²	173	121.8 Å²	121.8	75%	0.752	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.8	-6.4	-167.5	-67.6	-172.3	178.2	173	0	117.9	D128	D128-K130 PolarHBondContact O-N 3.19Å
131	H	36.4	Very low	44.7	Very low	191 Å²	191	123.7 Å²	123.7	88%	0.884	67%	0.674	S	S	*	*	S	Bend	trans	-137.6	52.6	175.1	-86.9	-61.6	0	0	0	115
132	Q	33.4	Very low	44.4	Very low	175 Å²	175	123 Å²	123	82%	0.818	68%	0.678	S	S	*	*			trans	-145.3	57.6	157.7	-154.2	166.9	20.5	0	0	112.6
133	S	30.7	Very low	44.8	Very low	104 Å²	104	121.9 Å²	121.9	73%	0.727	67%	0.672	S	S	*	*			trans	-69.3	138.3	165.1	52	0	0	0	0	110.6
134	Q	30.6	Very low	45.3	Very low	191 Å²	191	123.2 Å²	123.2	89%	0.893	68%	0.681	S	S	*	*	S	Bend	trans	83.5	62.1	175.5	-51.3	-177.6	2.9	0	0	117.4
135	S	34.2	Very low	46.7	Very low	91 Å²	91	121 Å²	121	64%	0.636	66%	0.663	S	S	*	*	S	Bend	trans	-152.3	126	135.2	22.1	0	0	0	0	111
136	S	32.7	Very low	48.6	Very low	98 Å²	98	116.6 Å²	116.6	69%	0.685	63%	0.634	S	S	*	*			trans	30.4	95.1	167	55.1	0	0	0	0	118.1	L138	S136-L138 PolarHBondContact O-N 3.31Å; S136-L138 VanDerWaalsContact O-N 3.1Å
137	A	32	Very low	51	Low	109 Å²	109	111 Å²	111	90%	0.901	60%	0.601	S	S	*	*			trans	-70.5	98.6	156.1	0	0	0	0	0	109.1
138	L	39	Very low	53.7	Low	135 Å²	135	106.6 Å²	106.6	71%	0.707	58%	0.576	S	S	*	*			trans	-109	135.7	166.7	-72.2	167.5	0	0	0	108	S136 S140	S136-L138 PolarHBondContact O-N 3.31Å; S136-L138 VanDerWaalsContact O-N 3.1Å; L138-S140 PolarHBondContact O-N 3.45Å
139	D	44.7	Very low	56.5	Low	124 Å²	124	100.2 Å²	100.2	66%	0.663	54%	0.543	S	S	*	.			trans	-63.7	123.6	-157.4	-62.4	-73.8	0	0	0	113.8	N141 S142	D139-N141 PolarHBondContact O-N 2.75Å; D139-S142 WeakPolarHBondContact O-CB 3.21Å; D139-S142 PolarHBondContact O-N 3.21Å; D139-S142 PolarHBondContact O-OG 2.95Å
140	S	48.5	Very low	59.2	Low	90 Å²	90	91.8 Å²	91.8	63%	0.629	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	12.2	167.2	50.7	0	0	0	0	113.8	L138	L138-S140 PolarHBondContact O-N 3.45Å
141	N	59.3	Low	62	Low	116 Å²	116	83.6 Å²	83.6	62%	0.62	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.2	13.6	170.5	-159.2	41	0	0	0	111.6	D139	D139-N141 PolarHBondContact O-N 2.75Å
142	S	71.7	Confident	64.4	Low	66 Å²	66	76.7 Å²	76.7	46%	0.462	45%	0.453	S	S	.	.	S	Bend	trans	-66.3	124.9	168.5	47.8	0	0	0	0	109	D139 T144 Y222	D139-S142 WeakPolarHBondContact O-CB 3.21Å; D139-S142 PolarHBondContact O-N 3.21Å; D139-S142 PolarHBondContact O-OG 2.95Å; S142-T144 PolarHBondContact O-N 2.82Å; S142-Y222 WeakPolarHBondContact O-CB 3.43Å
143	P	80.9	Confident	66.7	Low	64 Å²	64	70.8 Å²	70.8	42%	0.416	43%	0.427	S	S	.	.			trans	-76.5	120.3	-171.6	30.2	-34.9	0	0	0	110.8	V196 Y222	P143-V196 HydrophobicContact CB-CG1 3.78Å; P143-V196 HydrophobicContact CG-CG1 4.35Å; P143-Y222 HydrophobicContact CB-CD1 4.44Å; P143-Y222 HydrophobicContact CB-CE1 3.88Å; P143-Y222 HydrophobicContact CB-CE2 4.08Å
144	T	88.6	Confident	69.1	Low	36 Å²	36	65.8 Å²	65.8	22%	0.221	39%	0.392	C	S	.	.			trans	-112.9	159.6	174.2	60.6	0	0	0	0	110.2	S142 I146 A199 Y222 S223	S142-T144 PolarHBondContact O-N 2.82Å; T144-I146 PolarHBondContact O-N 3.49Å; T144-I146 PolarHBondContact OG1-O 2.9Å; T144-I146 VanDerWaalsContact OG1-O 3.13Å; T144-A199 WeakPolarHBondContact O-CB 3.34Å; T144-Y222 VanDerWaalsContact N-CD1 3.33Å; T144-Y222 WeakPolarHBondContact O-CD1 3.45Å; T144-S223 WeakPolarHBondContact CG2-O 3.47Å; T144-S223 PolarHBondContact OG1-O 2.93Å
145	H	90.4	Very high	71.2	Confident	57 Å²	57	62 Å²	62	26%	0.264	37%	0.374	S	S	.	.	S	Bend	trans	-76.4	6.1	175.9	66.1	-87.5	0	0	0	112.9	F193 V196	H145-F193 PolarHBondContact O-N 3.38Å; H145-V196 HydrophobicContact CB-CG2 4.05Å
146	I	91.8	Very high	73.1	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	121.4	-178.1	-52	-173.2	0	0	0	109	T144 L190 V191 E192 S223 L225 R227 V228	T144-I146 PolarHBondContact O-N 3.49Å; T144-I146 PolarHBondContact OG1-O 2.9Å; T144-I146 VanDerWaalsContact OG1-O 3.13Å; I146-L190 HydrophobicContact CG2-CD2 4.48Å; I146-V191 CarbonylContact C-O 3.48Å; I146-V191 VanDerWaalsContact CA-O 3.3Å; I146-V191 WeakPolarHBondContact CA-O 3.34Å; I146-E192 HydrophobicContact CD1-CG 4.19Å; I146-E192 HydrophobicContact CG1-CB 4.39Å; I146-E192 HydrophobicContact CG1-CG 4.07Å; I146-S223 VanDerWaalsContact O-CB 3.29Å; I146-S223 WeakPolarHBondContact O-CB 3.34Å; I146-S223 PolarHBondContact O-N 3.22Å; I146-L225 HydrophobicContact CD1-CB 4.46Å; I146-R227 VanDerWaalsContact CD1-CA 3.43Å; I146-R227 VanDerWaalsContact CD1-N 3.31Å; I146-V228 HydrophobicContact CD1-CG2 4.29Å; I146-V228 HydrophobicContact CG2-CG2 3.71Å
147	L	93	Very high	75.3	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	142.3	174.5	-59.6	-174.9	0	0	0	110.9	L149 L190 V191 F193 A199 A202 K203 V220 A221 Y222	L147-L149 HydrophobicContact CB-CD1 4.35Å; L147-L190 WeakPolarHBondContact O-CA 3.37Å; L147-V191 PolarHBondContact N-O 2.95Å; L147-V191 PolarHBondContact O-N 3.46Å; L147-F193 HydrophobicContact CB-CE2 4.49Å; L147-F193 HydrophobicContact CD1-CD2 4.44Å; L147-F193 HydrophobicContact CD1-CE2 3.68Å; L147-F193 HydrophobicContact CD1-CZ 4.36Å; L147-F193 HydrophobicContact CG-CD2 4.31Å; L147-F193 HydrophobicContact CG-CE2 3.94Å; L147-A199 WeakPolarHBondContact CD1-O 3.34Å; L147-A199 HydrophobicContact CD2-CB 4.07Å; L147-A199 HydrophobicContact CG-CB 4.15Å; L147-A202 HydrophobicContact CD1-CB 3.8Å; L147-K203 HydrophobicContact CD1-CB 4.28Å; L147-K203 HydrophobicContact CD2-CB 4.22Å; L147-V220 HydrophobicContact CB-CG1 4.05Å; L147-V220 HydrophobicContact CD1-CG1 3.77Å; L147-V220 HydrophobicContact CD2-CG1 4.4Å; L147-V220 HydrophobicContact CG-CG1 4.3Å; L147-A221 WeakPolarHBondContact CA-O 3.3Å; L147-Y222 HydrophobicContact CD2-CD1 3.76Å; L147-Y222 HydrophobicContact CD2-CE1 4Å
148	H	92.6	Very high	77.7	Confident	48 Å²	48	58.9 Å²	58.9	22%	0.222	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	119.4	164.6	-176.9	-117.8	0	0	0	108.5	E188 A189 L190 V220 A221	H148-E188 IonicContact CE1-OE1 3.84Å; H148-E188 IonicContact NE2-OE1 2.83Å; H148-A189 CarbonylContact C-O 3.47Å; H148-A189 WeakPolarHBondContact CA-O 3.26Å; H148-A189 PolarHBondContact CD2-O 3.03Å; H148-L190 HydrophobicContact CB-CD2 4.07Å; H148-V220 WeakPolarHBondContact O-CA 3.45Å; H148-A221 PolarHBondContact N-O 3.36Å; H148-A221 PolarHBondContact O-N 3.07Å
149	L	92.3	Very high	79.9	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	117	175.5	-56.6	93.6	0	0	0	108.7	L147 I151 E188 A189 V191 L218 T219 V220	L147-L149 HydrophobicContact CB-CD1 4.35Å; L149-I151 HydrophobicContact CB-CG1 4.4Å; L149-E188 CarbonylContact O-C 3.59Å; L149-A189 HydrophobicContact CB-CB 4.41Å; L149-A189 PolarHBondContact N-O 2.79Å; L149-A189 PolarHBondContact O-N 3.36Å; L149-V191 HydrophobicContact CD1-CB 4.22Å; L149-V191 HydrophobicContact CD1-CG2 3.58Å; L149-L218 HydrophobicContact CB-CD2 4.41Å; L149-L218 HydrophobicContact CD2-CD1 4.26Å; L149-L218 HydrophobicContact CD2-CD2 4.03Å; L149-T219 WeakPolarHBondContact CA-O 3.49Å; L149-V220 HydrophobicContact CD2-CG2 3.96Å; L149-V220 HydrophobicContact CG-CG1 4.26Å; L149-V220 HydrophobicContact CG-CG2 4.04Å
150	D	90.3	Very high	81.9	Confident	60 Å²	60	48.1 Å²	48.1	32%	0.321	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	112.4	165.2	-178.8	0.5	0	0	0	108	L218 T219	D150-L218 CarbonylContact O-C 3.59Å; D150-L218 WeakPolarHBondContact O-CA 3.38Å; D150-T219 PolarHBondContact N-O 2.86Å; D150-T219 PolarHBondContact O-N 3.26Å
151	I	89.9	Confident	83.7	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	91	-174.7	-51.1	153.4	0	0	0	107.7	L149 A154 I158 I163 S186 L187 A189 I211 C216 L218	L149-I151 HydrophobicContact CB-CG1 4.4Å; I151-A154 HydrophobicContact CG2-CB 4.47Å; I151-I158 HydrophobicContact CD1-CG2 4.31Å; I151-I158 HydrophobicContact CG2-CG1 4.46Å; I151-I163 HydrophobicContact CD1-CD1 4.15Å; I151-S186 CarbonylContact O-C 3.54Å; I151-S186 WeakPolarHBondContact O-CA 3.14Å; I151-L187 WeakPolarHBondContact CA-O 3.09Å; I151-L187 HydrophobicContact CB-CB 4.03Å; I151-L187 VanDerWaalsContact CB-O 3.31Å; I151-L187 WeakPolarHBondContact CB-O 3.42Å; I151-L187 HydrophobicContact CD1-CB 4.02Å; I151-L187 PolarHBondContact N-O 2.87Å; I151-L187 PolarHBondContact O-N 3.29Å; I151-A189 HydrophobicContact CD1-CB 3.87Å; I151-I211 HydrophobicContact CG2-CD1 4.23Å; I151-C216 HydrophobicContact CG2-CB 3.93Å; I151-L218 HydrophobicContact CB-CD2 4.35Å; I151-L218 HydrophobicContact CG1-CD2 3.66Å; I151-L218 HydrophobicContact CG2-CD2 4.36Å
152	S	86.5	Confident	85.1	Confident	47 Å²	47	43.2 Å²	43.2	33%	0.329	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	154.2	179.5	67.1	0	0	0	0	112.4	A154 C216 N217	S152-A154 VanDerWaalsContact C-N 3.34Å; S152-A154 PolarHBondContact O-N 3.21Å; S152-C216 CarbonylContact O-C 3.55Å; S152-C216 WeakPolarHBondContact O-CA 3.37Å; S152-C216 PolarHBondContact O-N 3.02Å; S152-N217 PolarHBondContact N-O 2.94Å; S152-N217 PolarHBondContact O-N 3.08Å; S152-N217 PolarHBondContact OG-O 3.26Å
153	N	81.8	Confident	85.9	Confident	50 Å²	50	40 Å²	40	27%	0.267	22%	0.215	S	C	.	.	S	Bend	trans	49.9	48	-175.4	-165.6	41.3	0	0	0	113.7	E155 R185 C215 C216	N153-E155 VanDerWaalsContact C-N 3.29Å; N153-E155 PolarHBondContact O-N 2.99Å; N153-R185 PolarHBondContact OD1-NH2 3.44Å; N153-C215 WeakPolarHBondContact ND2-CB 3.4Å; N153-C216 PolarHBondContact O-N 3.19Å
154	A	80.9	Confident	86.3	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.21	C	C	.	.			trans	-68.4	81.9	177.5	0	0	0	0	0	111.1	I151 S152 K181 R185 L187	I151-A154 HydrophobicContact CG2-CB 4.47Å; S152-A154 VanDerWaalsContact C-N 3.34Å; S152-A154 PolarHBondContact O-N 3.21Å; A154-K181 WeakPolarHBondContact O-CE 3.3Å; A154-K181 PolarHBondContact O-NZ 2.81Å; A154-R185 VanDerWaalsContact CB-O 3.29Å; A154-R185 WeakPolarHBondContact CB-O 3.46Å; A154-R185 PolarHBondContact N-O 2.85Å; A154-L187 HydrophobicContact CB-CB 4.5Å; A154-L187 HydrophobicContact CB-CD1 3.78Å; A154-L187 HydrophobicContact CB-CG 4.19Å
155	E	73.9	Confident	86.2	Confident	111 Å²	111	42.1 Å²	42.1	52%	0.519	23%	0.227	S	C	.	.			trans	-81.8	-38	-177.8	-166.6	134.1	-117	0	0	111.7	N153 R185 C215	N153-E155 VanDerWaalsContact C-N 3.29Å; N153-E155 PolarHBondContact O-N 2.99Å; E155-R185 IonicContact OE1-NH1 2.85Å; E155-R185 PolarHBondContact OE1-NH1 3.01Å; E155-C215 HydrophobicContact CB-CB 4.2Å
156	Y	75.1	Confident	86.2	Confident	121 Å²	121	41.1 Å²	41.1	48%	0.475	22%	0.223	S	C	.	.	S	Bend	trans	-94.5	158.2	175.2	-64.4	-81.1	0	0	0	111.8	Y212 C215	Y156-Y212 AromaticContact CD2-CD2 3.89Å; Y156-Y212 HydrophobicContact CD2-CD2 3.89Å; Y156-Y212 HydrophobicContact CD2-CE2 4.43Å; Y156-Y212 HydrophobicContact CD2-CG 4.16Å; Y156-Y212 HydrophobicContact CG-CD2 4.14Å; Y156-Y212 HydrophobicContact CG-CE2 4.23Å; Y156-C215 VanDerWaalsContact CD2-SG 3.6Å; Y156-C215 VanDerWaalsContact CE2-SG 3.6Å
157	P	77.7	Confident	86.1	Confident	96 Å²	96	41.1 Å²	41.1	62%	0.623	22%	0.223	S	C	*	.			trans	-66	133.5	172.6	28	-34.5	0	0	0	110.9
158	I	82	Confident	85.9	Confident	16 Å²	16	43.9 Å²	43.9	8%	0.082	24%	0.242	C	C	.	.			trans	-107.6	120	171.2	-55.5	-57.8	0	0	0	107.2	I151 V162 I163 I178 L187 I211 Y212 C216	I151-I158 HydrophobicContact CD1-CG2 4.31Å; I151-I158 HydrophobicContact CG2-CG1 4.46Å; I158-V162 HydrophobicContact CD1-CG1 4.21Å; I158-V162 HydrophobicContact CG2-CB 4.43Å; I158-V162 HydrophobicContact CG2-CG1 4.48Å; I158-I163 HydrophobicContact CG2-CD1 3.6Å; I158-I163 HydrophobicContact CG2-CG1 3.76Å; I158-I178 HydrophobicContact CG2-CD1 4.29Å; I158-L187 HydrophobicContact CB-CD1 4.14Å; I158-L187 HydrophobicContact CG1-CD1 4.1Å; I158-I211 HydrophobicContact CD1-CD1 3.71Å; I158-I211 HydrophobicContact CD1-CG2 4.18Å; I158-I211 HydrophobicContact CG1-CD1 4.42Å; I158-Y212 HydrophobicContact CD1-CE2 3.77Å; I158-C216 HydrophobicContact CD1-CB 4.22Å
159	T	86.4	Confident	85.6	Confident	31 Å²	31	46 Å²	46	19%	0.19	26%	0.261	C	S	.	.			trans	-108.8	167.8	172.7	70.4	0	0	0	0	110.6	D161 V162 I163 S235	T159-D161 PolarHBondContact O-N 3.22Å; T159-D161 PolarHBondContact OG1-N 3.36Å; T159-D161 PolarHBondContact OG1-OD2 2.72Å; T159-V162 WeakPolarHBondContact O-CB 3.37Å; T159-V162 PolarHBondContact O-N 3.47Å; T159-I163 PolarHBondContact O-N 2.97Å; T159-I163 VanDerWaalsContact O-N 3.09Å; T159-S235 WeakPolarHBondContact CA-O 3.35Å
160	V	87.2	Confident	85.4	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.012	27%	0.272	C	S	.	.	H	α-helix	trans	-46.3	-41.7	167.8	165.1	0	0	0	0	111.8	V162 I163 K164 T176 I178 S235 W238 F240	V160-V162 VanDerWaalsContact C-N 3.33Å; V160-V162 PolarHBondContact O-N 2.82Å; V160-I163 PolarHBondContact O-N 3.11Å; V160-K164 WeakPolarHBondContact O-CB 3.47Å; V160-K164 PolarHBondContact O-N 2.93Å; V160-T176 HydrophobicContact CG2-CG2 4.26Å; V160-I178 HydrophobicContact CG2-CD1 4.35Å; V160-S235 PolarHBondContact N-O 2.91Å; V160-W238 HydrophobicContact CB-CB 4.37Å; V160-W238 HydrophobicContact CG1-CB 3.55Å; V160-W238 HydrophobicContact CG1-CG 4.16Å; V160-W238 HydrophobicContact CG2-CB 4.03Å; V160-F240 HydrophobicContact CG1-CE1 4.42Å; V160-F240 HydrophobicContact CG1-CZ 3.67Å
161	D	85.1	Confident	85.2	Confident	73 Å²	73	46.4 Å²	46.4	39%	0.39	27%	0.265	S	S	.	.	H	α-helix	trans	-65	-35.9	-179.4	-41.4	-87.4	0	0	0	112.5	T159 K164 A165	T159-D161 PolarHBondContact O-N 3.22Å; T159-D161 PolarHBondContact OG1-N 3.36Å; T159-D161 PolarHBondContact OG1-OD2 2.72Å; D161-K164 PolarHBondContact O-N 3.43Å; D161-A165 WeakPolarHBondContact O-CB 3.17Å; D161-A165 PolarHBondContact O-N 2.74Å
162	V	88.2	Confident	85.1	Confident	29 Å²	29	50.6 Å²	50.6	18%	0.176	29%	0.287	C	S	.	.	H	α-helix	trans	-68.3	-46	175.5	-179.3	0	0	0	0	110.2	I158 T159 V160 K164 A165 I166 I211	I158-V162 HydrophobicContact CD1-CG1 4.21Å; I158-V162 HydrophobicContact CG2-CB 4.43Å; I158-V162 HydrophobicContact CG2-CG1 4.48Å; T159-V162 WeakPolarHBondContact O-CB 3.37Å; T159-V162 PolarHBondContact O-N 3.47Å; V160-V162 VanDerWaalsContact C-N 3.33Å; V160-V162 PolarHBondContact O-N 2.82Å; V162-K164 VanDerWaalsContact C-N 3.32Å; V162-K164 PolarHBondContact O-N 2.88Å; V162-A165 PolarHBondContact O-N 2.77Å; V162-I166 PolarHBondContact O-N 2.85Å; V162-I166 VanDerWaalsContact O-N 3.17Å; V162-I211 HydrophobicContact CG1-CG2 3.62Å
163	I	90.2	Very high	85.3	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.9	-39.3	175.5	-62.4	-59.3	0	0	0	111.2	I151 I158 T159 V160 I166 C167 T176 I178 V191 I211	I151-I163 HydrophobicContact CD1-CD1 4.15Å; I158-I163 HydrophobicContact CG2-CD1 3.6Å; I158-I163 HydrophobicContact CG2-CG1 3.76Å; T159-I163 PolarHBondContact O-N 2.97Å; T159-I163 VanDerWaalsContact O-N 3.09Å; V160-I163 PolarHBondContact O-N 3.11Å; I163-I166 HydrophobicContact CD1-CD1 4.11Å; I163-I166 VanDerWaalsContact O-CG1 3.29Å; I163-I166 WeakPolarHBondContact O-CG1 3.37Å; I163-C167 WeakPolarHBondContact O-CB 3.22Å; I163-C167 PolarHBondContact O-N 2.82Å; I163-C167 VanDerWaalsContact O-N 3.08Å; I163-T176 HydrophobicContact CB-CG2 4Å; I163-T176 HydrophobicContact CG1-CG2 4.49Å; I163-T176 HydrophobicContact CG2-CG2 3.64Å; I163-I178 HydrophobicContact CG1-CD1 3.91Å; I163-I178 HydrophobicContact CG1-CG1 4.29Å; I163-V191 HydrophobicContact CG2-CG2 3.44Å; I163-V191 VanDerWaalsContact CG2-CG2 3.44Å; I163-I211 HydrophobicContact CD1-CD1 4.5Å
164	K	88.5	Confident	85.6	Confident	73 Å²	73	47.8 Å²	47.8	32%	0.317	27%	0.269	S	S	.	.	H	α-helix	trans	-61.4	-47.9	173.7	-171.6	174.7	-166	163.7	0	111.1	V160 D161 V162 I166 C167 S168 I173 F240	V160-K164 WeakPolarHBondContact O-CB 3.47Å; V160-K164 PolarHBondContact O-N 2.93Å; D161-K164 PolarHBondContact O-N 3.43Å; V162-K164 VanDerWaalsContact C-N 3.32Å; V162-K164 PolarHBondContact O-N 2.88Å; K164-I166 VanDerWaalsContact C-N 3.31Å; K164-I166 PolarHBondContact O-N 2.72Å; K164-C167 PolarHBondContact O-N 3.41Å; K164-S168 VanDerWaalsContact O-CB 3.24Å; K164-S168 WeakPolarHBondContact O-CB 3.4Å; K164-S168 PolarHBondContact O-N 2.85Å; K164-S168 PolarHBondContact O-OG 2.61Å; K164-S168 VanDerWaalsContact O-OG 3.07Å; K164-I173 HydrophobicContact CB-CD1 4.45Å; K164-I173 HydrophobicContact CG-CD1 4.2Å; K164-F240 HydrophobicContact CB-CZ 4.39Å; K164-F240 HydrophobicContact CD-CD1 4.49Å; K164-F240 HydrophobicContact CD-CE1 3.71Å; K164-F240 HydrophobicContact CD-CE2 4.42Å; K164-F240 HydrophobicContact CD-CZ 3.67Å; K164-F240 HydrophobicContact CG-CZ 4.3Å
165	A	87.2	Confident	86	Confident	70 Å²	70	48.6 Å²	48.6	58%	0.579	27%	0.272	S	S	*	.	H	α-helix	trans	-60.8	-35.6	-178.4	0	0	0	0	0	113.7	D161 V162 P169	D161-A165 WeakPolarHBondContact O-CB 3.17Å; D161-A165 PolarHBondContact O-N 2.74Å; V162-A165 PolarHBondContact O-N 2.77Å; A165-P169 WeakPolarHBondContact O-CD 3.5Å
166	I	89.5	Confident	86.7	Confident	37 Å²	37	43.3 Å²	43.3	19%	0.19	25%	0.247	C	C	.	.	H	α-helix	trans	-82.4	-29.8	177.6	65.6	177.8	0	0	0	113.6	V162 I163 K164 L206 I211 L218	V162-I166 PolarHBondContact O-N 2.85Å; V162-I166 VanDerWaalsContact O-N 3.17Å; I163-I166 HydrophobicContact CD1-CD1 4.11Å; I163-I166 VanDerWaalsContact O-CG1 3.29Å; I163-I166 WeakPolarHBondContact O-CG1 3.37Å; K164-I166 VanDerWaalsContact C-N 3.31Å; K164-I166 PolarHBondContact O-N 2.72Å; I166-L206 HydrophobicContact CB-CD2 4.32Å; I166-I211 HydrophobicContact CD1-CD1 3.98Å; I166-I211 HydrophobicContact CD1-CG1 4.03Å; I166-L218 HydrophobicContact CD1-CD1 4.05Å
167	C	90.2	Very high	87.4	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-92.4	-30.8	-176.8	-74.1	0	0	0	0	113.9	I163 K164 P169 H170 G171 I173 V191 F193	I163-C167 WeakPolarHBondContact O-CB 3.22Å; I163-C167 PolarHBondContact O-N 2.82Å; I163-C167 VanDerWaalsContact O-N 3.08Å; K164-C167 PolarHBondContact O-N 3.41Å; C167-P169 VanDerWaalsContact C-N 3.34Å; C167-H170 PolarHBondContact O-N 3.32Å; C167-G171 PolarHBondContact O-N 2.86Å; C167-I173 HydrophobicContact CB-CD1 3.42Å; C167-I173 VanDerWaalsContact CB-CD1 3.42Å; C167-I173 HydrophobicContact CB-CG1 4.14Å; C167-V191 HydrophobicContact CB-CG1 4.43Å; C167-F193 HydrophobicContact CB-CE1 4.29Å; C167-F193 HydrophobicContact CB-CZ 3.85Å
168	S	87.8	Confident	87.9	Confident	57 Å²	57	37 Å²	37	40%	0.399	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-26.3	-179.1	-72.7	0	0	0	0	116.1	K164 H170	K164-S168 VanDerWaalsContact O-CB 3.24Å; K164-S168 WeakPolarHBondContact O-CB 3.4Å; K164-S168 PolarHBondContact O-N 2.85Å; K164-S168 PolarHBondContact O-OG 2.61Å; K164-S168 VanDerWaalsContact O-OG 3.07Å; S168-H170 PolarHBondContact O-N 3.39Å
169	P	87	Confident	88	Confident	94 Å²	94	36.9 Å²	36.9	61%	0.61	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-11.8	170.1	-24.5	36.1	0	0	0	114.9	A165 C167	A165-P169 WeakPolarHBondContact O-CD 3.5Å; C167-P169 VanDerWaalsContact C-N 3.34Å
170	H	87.9	Confident	87.5	Confident	51 Å²	51	43.9 Å²	43.9	24%	0.236	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-11.7	-173.3	-57.5	-49.6	0	0	0	114.2	C167 S168 A202 Q205	C167-H170 PolarHBondContact O-N 3.32Å; S168-H170 PolarHBondContact O-N 3.39Å; H170-A202 HydrophobicContact CB-CB 3.64Å; H170-Q205 VanDerWaalsContact CE1-CG 3.48Å; H170-Q205 WeakPolarHBondContact CE1-CG 3.3Å
171	G	86.8	Confident	87.1	Confident	17 Å²	17	48.9 Å²	48.9	18%	0.175	26%	0.264	C	S	.	.	S	Bend	trans	173.6	173.7	178.1	0	0	0	0	0	114.2	C167 E198	C167-G171 PolarHBondContact O-N 2.86Å; G171-E198 WeakPolarHBondContact CA-OE2 3.26Å
172	N	88.2	Confident	86.6	Confident	87 Å²	87	48.7 Å²	48.7	47%	0.465	26%	0.263	S	S	.	.			trans	-81.8	130.8	171.9	-170.1	24.1	0	0	0	109.8	F193 E194 E198	N172-F193 WeakPolarHBondContact O-CA 3.2Å; N172-E194 HydrophobicContact CB-CB 4.15Å; N172-E194 PolarHBondContact ND2-OE2 3.38Å; N172-E194 PolarHBondContact O-N 3.29Å; N172-E198 PolarHBondContact N-OE2 3.2Å
173	I	90.3	Very high	86	Confident	4 Å²	4	51.7 Å²	51.7	2%	0.021	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	117.6	-176.1	-54.8	168.7	0	0	0	108.1	K164 C167 R175 V191 E192 F193 F240	K164-I173 HydrophobicContact CB-CD1 4.45Å; K164-I173 HydrophobicContact CG-CD1 4.2Å; C167-I173 HydrophobicContact CB-CD1 3.42Å; C167-I173 VanDerWaalsContact CB-CD1 3.42Å; C167-I173 HydrophobicContact CB-CG1 4.14Å; I173-R175 WeakPolarHBondContact CG2-O 3.33Å; I173-V191 HydrophobicContact CG1-CG1 4.28Å; I173-V191 HydrophobicContact CG2-CG1 3.76Å; I173-E192 CarbonylContact C-O 3.55Å; I173-F193 HydrophobicContact CG1-CE1 4.29Å; I173-F240 HydrophobicContact CB-CD2 4.25Å; I173-F240 HydrophobicContact CB-CE2 4.38Å; I173-F240 HydrophobicContact CG2-CD2 3.94Å; I173-F240 HydrophobicContact CG2-CE2 3.88Å; I173-F240 WeakPolarHBondContact O-CB 3.34Å; I173-F240 VanDerWaalsContact O-CD2 3.29Å; I173-F240 WeakPolarHBondContact O-CD2 3.47Å
174	L	88.1	Confident	85.4	Confident	35 Å²	35	57.1 Å²	57.1	18%	0.183	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-46.9	175.4	-54.8	-172.6	0	0	0	110.8	E192 E194 F240 T241	L174-E192 HydrophobicContact CB-CB 4.35Å; L174-E192 HydrophobicContact CB-CG 4.2Å; L174-E192 HydrophobicContact CD1-CG 4.35Å; L174-E192 PolarHBondContact N-O 2.82Å; L174-E194 HydrophobicContact CD2-CB 4.04Å; L174-E194 HydrophobicContact CD2-CG 4.31Å; L174-E194 HydrophobicContact CG-CB 4.4Å; L174-F240 PolarHBondContact O-N 3.38Å; L174-T241 HydrophobicContact CB-CG2 3.67Å; L174-T241 HydrophobicContact CD2-CG2 3.69Å; L174-T241 HydrophobicContact CG-CG2 4.17Å
175	R	89.1	Confident	84.9	Confident	17 Å²	17	59 Å²	59	6%	0.064	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	153.2	-176.7	-59.5	-171.1	-173.5	79.1	33.8	113	I173 E192 V228 V230 W238 D239 T241	I173-R175 WeakPolarHBondContact CG2-O 3.33Å; R175-E192 HydrophobicContact CB-CB 4.01Å; R175-E192 IonicContact CZ-OE1 3.88Å; R175-E192 IonicContact CZ-OE2 3.62Å; R175-E192 PolarHBondContact N-O 2.81Å; R175-E192 IonicContact NH1-OE1 3.94Å; R175-E192 PolarHBondContact NH1-OE1 3.44Å; R175-E192 IonicContact NH1-OE2 2.77Å; R175-E192 PolarHBondContact NH1-OE2 3.41Å; R175-E192 PolarHBondContact O-N 2.85Å; R175-V228 HydrophobicContact CB-CB 4.06Å; R175-V228 HydrophobicContact CB-CG1 4.26Å; R175-V228 WeakPolarHBondContact CD-O 3.28Å; R175-V230 HydrophobicContact CB-CG2 4.01Å; R175-V230 HydrophobicContact CG-CG2 4.28Å; R175-W238 WeakPolarHBondContact CA-O 3.43Å; R175-D239 HydrophobicContact CG-CB 4.2Å; R175-D239 IonicContact CZ-OD2 3.57Å; R175-D239 IonicContact NE-OD1 3.63Å; R175-D239 IonicContact NE-OD2 2.66Å; R175-D239 PolarHBondContact NE-OD2 3.34Å; R175-D239 IonicContact NH2-OD2 2.82Å; R175-D239 PolarHBondContact NH2-OD2 3.41Å; R175-T241 PolarHBondContact NH2-OG1 2.83Å; R175-T241 VanDerWaalsContact NH2-OG1 3.14Å
176	T	89.2	Confident	84.6	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	139	170.6	-61.2	0	0	0	0	110.2	V160 I163 I178 L190 V191 S237 W238	V160-T176 HydrophobicContact CG2-CG2 4.26Å; I163-T176 HydrophobicContact CB-CG2 4Å; I163-T176 HydrophobicContact CG1-CG2 4.49Å; I163-T176 HydrophobicContact CG2-CG2 3.64Å; T176-I178 HydrophobicContact CG2-CG1 4.34Å; T176-L190 WeakPolarHBondContact CA-O 3.39Å; T176-V191 HydrophobicContact CG2-CG2 4.45Å; T176-S237 CarbonylContact O-C 3.5Å; T176-S237 WeakPolarHBondContact O-CA 3.27Å; T176-W238 PolarHBondContact N-O 2.94Å; T176-W238 PolarHBondContact O-N 3Å
177	F	89.9	Confident	84.5	Confident	78 Å²	78	55.2 Å²	55.2	34%	0.342	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	136.2	169.9	171.1	-87.8	0	0	0	109.2	A189 L190 V228 E236	F177-A189 CarbonylContact O-C 3.49Å; F177-A189 VanDerWaalsContact O-CA 3.31Å; F177-A189 WeakPolarHBondContact O-CA 3.29Å; F177-L190 HydrophobicContact CB-CB 4.41Å; F177-L190 HydrophobicContact CD1-CD1 4.18Å; F177-L190 PolarHBondContact N-O 3.18Å; F177-L190 PolarHBondContact O-N 2.7Å; F177-V228 HydrophobicContact CB-CG1 3.62Å; F177-E236 CarbonylContact C-O 3.58Å
178	I	87.7	Confident	84.5	Confident	7 Å²	7	60 Å²	60	4%	0.036	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	119.5	177.6	-56.8	173.9	0	0	0	106.9	I158 V160 I163 T176 L187 A189 E236	I158-I178 HydrophobicContact CG2-CD1 4.29Å; V160-I178 HydrophobicContact CG2-CD1 4.35Å; I163-I178 HydrophobicContact CG1-CD1 3.91Å; I163-I178 HydrophobicContact CG1-CG1 4.29Å; T176-I178 HydrophobicContact CG2-CG1 4.34Å; I178-L187 HydrophobicContact CG2-CD2 4.09Å; I178-A189 HydrophobicContact CG1-CB 4.35Å; I178-E236 WeakPolarHBondContact CA-O 3.5Å; I178-E236 WeakPolarHBondContact CB-O 3.29Å; I178-E236 PolarHBondContact N-O 2.74Å
179	G	83.1	Confident	84.7	Confident	12 Å²	12	57.3 Å²	57.3	12%	0.124	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-69.3	166.7	174.7	0	0	0	0	0	111.9	L187 E188	G179-L187 WeakPolarHBondContact O-CD2 3.44Å; G179-E188 WeakPolarHBondContact CA-O 3.39Å; G179-E188 PolarHBondContact N-O 2.89Å
180	K	77.5	Confident	85	Confident	178 Å²	178	54.1 Å²	54.1	77%	0.774	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-67.1	143.6	179.2	-66	-176.4	178.9	-178.3	0	111.2	N182	K180-N182 PolarHBondContact O-N 2.77Å
181	K	77.3	Confident	85.2	Confident	107 Å²	107	51.7 Å²	51.7	47%	0.465	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-61	119.5	175.6	-168.5	168.8	-171.1	167.3	0	110.9	A154 L187	A154-K181 WeakPolarHBondContact O-CE 3.3Å; A154-K181 PolarHBondContact O-NZ 2.81Å; K181-L187 VanDerWaalsContact CA-CD2 3.46Å; K181-L187 HydrophobicContact CB-CD2 3.81Å; K181-L187 HydrophobicContact CB-CG 4.19Å; K181-L187 HydrophobicContact CG-CD2 4.39Å; K181-L187 HydrophobicContact CG-CG 4.22Å
182	N	74.9	Confident	85.5	Confident	69 Å²	69	51.4 Å²	51.4	37%	0.369	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-72.2	160.7	177.3	-74.4	-46.3	0	0	0	111.6	K180 D184 R185 S186	K180-N182 PolarHBondContact O-N 2.77Å; N182-D184 WeakPolarHBondContact CB-OD1 3.34Å; N182-D184 PolarHBondContact O-N 2.79Å; N182-R185 WeakPolarHBondContact O-CA 3.49Å; N182-R185 PolarHBondContact O-N 2.83Å; N182-S186 VanDerWaalsContact CB-OG 3.23Å; N182-S186 WeakPolarHBondContact CB-OG 3.45Å; N182-S186 PolarHBondContact N-O 2.83Å; N182-S186 PolarHBondContact ND2-OG 3.3Å
183	V	75.4	Confident	85.7	Confident	93 Å²	93	47.2 Å²	47.2	56%	0.564	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-25.7	-176.7	-176.7	0	0	0	0	112.9	R185	V183-R185 VanDerWaalsContact C-N 3.29Å
184	D	77	Confident	85.7	Confident	114 Å²	114	52 Å²	52	61%	0.61	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-3.4	175.1	52.2	22	0	0	0	114.1	N182 S186	N182-D184 WeakPolarHBondContact CB-OD1 3.34Å; N182-D184 PolarHBondContact O-N 2.79Å; D184-S186 WeakPolarHBondContact OD1-CB 3.4Å; D184-S186 PolarHBondContact OD1-N 3.41Å; D184-S186 PolarHBondContact OD1-OG 3.22Å
185	R	78.2	Confident	85.8	Confident	111 Å²	111	53.8 Å²	53.8	42%	0.419	26%	0.261	S	S	.	.	S	Bend	trans	71.4	26.1	-170.2	-47.4	173.2	-70	167.1	3.6	114.2	N153 A154 E155 N182 V183	N153-R185 PolarHBondContact OD1-NH2 3.44Å; A154-R185 VanDerWaalsContact CB-O 3.29Å; A154-R185 WeakPolarHBondContact CB-O 3.46Å; A154-R185 PolarHBondContact N-O 2.85Å; E155-R185 IonicContact OE1-NH1 2.85Å; E155-R185 PolarHBondContact OE1-NH1 3.01Å; N182-R185 WeakPolarHBondContact O-CA 3.49Å; N182-R185 PolarHBondContact O-N 2.83Å; V183-R185 VanDerWaalsContact C-N 3.29Å
186	S	82.3	Confident	85.9	Confident	16 Å²	16	55 Å²	55	11%	0.112	27%	0.27	C	S	.	.			trans	-79.2	158.5	158.1	60.4	0	0	0	0	111.7	I151 N182 D184	I151-S186 CarbonylContact O-C 3.54Å; I151-S186 WeakPolarHBondContact O-CA 3.14Å; N182-S186 VanDerWaalsContact CB-OG 3.23Å; N182-S186 WeakPolarHBondContact CB-OG 3.45Å; N182-S186 PolarHBondContact N-O 2.83Å; N182-S186 PolarHBondContact ND2-OG 3.3Å; D184-S186 WeakPolarHBondContact OD1-CB 3.4Å; D184-S186 PolarHBondContact OD1-N 3.41Å; D184-S186 PolarHBondContact OD1-OG 3.22Å
187	L	86.7	Confident	86	Confident	13 Å²	13	60.2 Å²	60.2	7%	0.068	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	126.4	172	-89.9	169.9	0	0	0	108	I151 A154 I158 I178 G179 K181	I151-L187 WeakPolarHBondContact CA-O 3.09Å; I151-L187 HydrophobicContact CB-CB 4.03Å; I151-L187 VanDerWaalsContact CB-O 3.31Å; I151-L187 WeakPolarHBondContact CB-O 3.42Å; I151-L187 HydrophobicContact CD1-CB 4.02Å; I151-L187 PolarHBondContact N-O 2.87Å; I151-L187 PolarHBondContact O-N 3.29Å; A154-L187 HydrophobicContact CB-CB 4.5Å; A154-L187 HydrophobicContact CB-CD1 3.78Å; A154-L187 HydrophobicContact CB-CG 4.19Å; I158-L187 HydrophobicContact CB-CD1 4.14Å; I158-L187 HydrophobicContact CG1-CD1 4.1Å; I178-L187 HydrophobicContact CG2-CD2 4.09Å; G179-L187 WeakPolarHBondContact O-CD2 3.44Å; K181-L187 VanDerWaalsContact CA-CD2 3.46Å; K181-L187 HydrophobicContact CB-CD2 3.81Å; K181-L187 HydrophobicContact CB-CG 4.19Å; K181-L187 HydrophobicContact CG-CD2 4.39Å; K181-L187 HydrophobicContact CG-CG 4.22Å
188	E	90.4	Very high	86.1	Confident	99 Å²	99	58.4 Å²	58.4	46%	0.463	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	138.8	169.8	-70.1	-178	148.5	0	0	109.4	H148 L149 G179	H148-E188 IonicContact CE1-OE1 3.84Å; H148-E188 IonicContact NE2-OE1 2.83Å; L149-E188 CarbonylContact O-C 3.59Å; G179-E188 WeakPolarHBondContact CA-O 3.39Å; G179-E188 PolarHBondContact N-O 2.89Å
189	A	91.7	Very high	86.3	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.008	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	149.4	172.5	0	0	0	0	0	111.7	H148 L149 I151 F177 I178	H148-A189 CarbonylContact C-O 3.47Å; H148-A189 WeakPolarHBondContact CA-O 3.26Å; H148-A189 PolarHBondContact CD2-O 3.03Å; L149-A189 HydrophobicContact CB-CB 4.41Å; L149-A189 PolarHBondContact N-O 2.79Å; L149-A189 PolarHBondContact O-N 3.36Å; I151-A189 HydrophobicContact CD1-CB 3.87Å; F177-A189 CarbonylContact O-C 3.49Å; F177-A189 VanDerWaalsContact O-CA 3.31Å; F177-A189 WeakPolarHBondContact O-CA 3.29Å; I178-A189 HydrophobicContact CG1-CB 4.35Å
190	L	92.9	Very high	86.8	Confident	27 Å²	27	61.2 Å²	61.2	14%	0.141	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	127.2	-178.8	-71.3	166.1	0	0	0	109.5	I146 L147 H148 T176 F177 L225 V228	I146-L190 HydrophobicContact CG2-CD2 4.48Å; L147-L190 WeakPolarHBondContact O-CA 3.37Å; H148-L190 HydrophobicContact CB-CD2 4.07Å; T176-L190 WeakPolarHBondContact CA-O 3.39Å; F177-L190 HydrophobicContact CB-CB 4.41Å; F177-L190 HydrophobicContact CD1-CD1 4.18Å; F177-L190 PolarHBondContact N-O 3.18Å; F177-L190 PolarHBondContact O-N 2.7Å; L190-L225 HydrophobicContact CD1-CD1 3.56Å; L190-L225 HydrophobicContact CD2-CD1 4.07Å; L190-L225 HydrophobicContact CG-CD1 4.46Å; L190-V228 HydrophobicContact CB-CG1 4.35Å; L190-V228 HydrophobicContact CB-CG2 3.93Å
191	V	93.4	Very high	87.5	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	119.7	-177.3	-178.4	0	0	0	0	109.4	I146 L147 L149 I163 C167 I173 T176 F193	I146-V191 CarbonylContact C-O 3.48Å; I146-V191 VanDerWaalsContact CA-O 3.3Å; I146-V191 WeakPolarHBondContact CA-O 3.34Å; L147-V191 PolarHBondContact N-O 2.95Å; L147-V191 PolarHBondContact O-N 3.46Å; L149-V191 HydrophobicContact CD1-CB 4.22Å; L149-V191 HydrophobicContact CD1-CG2 3.58Å; I163-V191 HydrophobicContact CG2-CG2 3.44Å; I163-V191 VanDerWaalsContact CG2-CG2 3.44Å; C167-V191 HydrophobicContact CB-CG1 4.43Å; I173-V191 HydrophobicContact CG1-CG1 4.28Å; I173-V191 HydrophobicContact CG2-CG1 3.76Å; T176-V191 HydrophobicContact CG2-CG2 4.45Å; V191-F193 HydrophobicContact CB-CE2 4.14Å; V191-F193 HydrophobicContact CG1-CD2 4.03Å; V191-F193 HydrophobicContact CG1-CE2 3.53Å; V191-F193 HydrophobicContact CG1-CZ 3.93Å
192	E	92.2	Very high	88.2	Confident	11 Å²	11	49.8 Å²	49.8	5%	0.051	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	114.7	176.7	-168.1	-178.7	134.2	0	0	109	I146 I173 L174 R175 V228	I146-E192 HydrophobicContact CD1-CG 4.19Å; I146-E192 HydrophobicContact CG1-CB 4.39Å; I146-E192 HydrophobicContact CG1-CG 4.07Å; I173-E192 CarbonylContact C-O 3.55Å; L174-E192 HydrophobicContact CB-CB 4.35Å; L174-E192 HydrophobicContact CB-CG 4.2Å; L174-E192 HydrophobicContact CD1-CG 4.35Å; L174-E192 PolarHBondContact N-O 2.82Å; R175-E192 HydrophobicContact CB-CB 4.01Å; R175-E192 IonicContact CZ-OE1 3.88Å; R175-E192 IonicContact CZ-OE2 3.62Å; R175-E192 PolarHBondContact N-O 2.81Å; R175-E192 IonicContact NH1-OE1 3.94Å; R175-E192 PolarHBondContact NH1-OE1 3.44Å; R175-E192 IonicContact NH1-OE2 2.77Å; R175-E192 PolarHBondContact NH1-OE2 3.41Å; R175-E192 PolarHBondContact O-N 2.85Å; E192-V228 HydrophobicContact CB-CB 4.26Å; E192-V228 HydrophobicContact CB-CG2 3.89Å; E192-V228 PolarHBondContact OE2-N 2.89Å
193	F	93.2	Very high	89	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	160.4	174.8	-72	-93.6	0	0	0	111.4	H145 L147 C167 N172 I173 V191 E198 A199 A202	H145-F193 PolarHBondContact O-N 3.38Å; L147-F193 HydrophobicContact CB-CE2 4.49Å; L147-F193 HydrophobicContact CD1-CD2 4.44Å; L147-F193 HydrophobicContact CD1-CE2 3.68Å; L147-F193 HydrophobicContact CD1-CZ 4.36Å; L147-F193 HydrophobicContact CG-CD2 4.31Å; L147-F193 HydrophobicContact CG-CE2 3.94Å; C167-F193 HydrophobicContact CB-CE1 4.29Å; C167-F193 HydrophobicContact CB-CZ 3.85Å; N172-F193 WeakPolarHBondContact O-CA 3.2Å; I173-F193 HydrophobicContact CG1-CE1 4.29Å; V191-F193 HydrophobicContact CB-CE2 4.14Å; V191-F193 HydrophobicContact CG1-CD2 4.03Å; V191-F193 HydrophobicContact CG1-CE2 3.53Å; V191-F193 HydrophobicContact CG1-CZ 3.93Å; F193-E198 HydrophobicContact CB-CB 4.29Å; F193-E198 HydrophobicContact CD1-CB 3.98Å; F193-E198 HydrophobicContact CG-CB 4.41Å; F193-A199 HydrophobicContact CB-CB 4.26Å; F193-A199 HydrophobicContact CD2-CB 3.89Å; F193-A199 HydrophobicContact CG-CB 4.22Å; F193-A202 HydrophobicContact CE1-CB 3.94Å; F193-A202 HydrophobicContact CE2-CB 4.03Å; F193-A202 HydrophobicContact CZ-CB 3.42Å; F193-A202 VanDerWaalsContact CZ-CB 3.42Å
194	E	90.4	Very high	89.7	Confident	104 Å²	104	50.9 Å²	50.9	49%	0.486	25%	0.248	S	C	.	.	S	Bend	trans	-67.7	-37.8	175.8	-168.1	171.8	163.6	0	0	112.2	N172 L174	N172-E194 HydrophobicContact CB-CB 4.15Å; N172-E194 PolarHBondContact ND2-OE2 3.38Å; N172-E194 PolarHBondContact O-N 3.29Å; L174-E194 HydrophobicContact CD2-CB 4.04Å; L174-E194 HydrophobicContact CD2-CG 4.31Å; L174-E194 HydrophobicContact CG-CB 4.4Å
195	N	89.8	Confident	90.3	Very high	73 Å²	73	51.4 Å²	51.4	39%	0.39	25%	0.248	S	C	.	.			trans	-129.3	154.2	-177.6	-63.7	-75.1	0	0	0	113.2	E197 E198 A199	N195-E197 VanDerWaalsContact C-N 3.27Å; N195-E197 PolarHBondContact O-N 2.81Å; N195-E198 HydrophobicContact CB-CG 4.24Å; N195-E198 WeakPolarHBondContact CB-OE1 3.34Å; N195-E198 PolarHBondContact ND2-OE1 2.94Å; N195-E198 PolarHBondContact O-N 2.96Å; N195-A199 PolarHBondContact O-N 2.79Å
196	V	91	Very high	90.9	Very high	41 Å²	41	46.8 Å²	46.8	25%	0.248	23%	0.231	C	C	.	.	H	α-helix	trans	-67.8	-31.2	176.8	-175.9	0	0	0	0	111.3	P143 H145 E198 A199 R200	P143-V196 HydrophobicContact CB-CG1 3.78Å; P143-V196 HydrophobicContact CG-CG1 4.35Å; H145-V196 HydrophobicContact CB-CG2 4.05Å; V196-E198 VanDerWaalsContact C-N 3.33Å; V196-A199 PolarHBondContact O-N 2.93Å; V196-R200 WeakPolarHBondContact O-CB 3.48Å; V196-R200 PolarHBondContact O-N 3.47Å
197	E	90.9	Very high	91.2	Very high	111 Å²	111	49.4 Å²	49.4	52%	0.519	24%	0.244	S	C	.	.	H	α-helix	trans	-65.1	-37	177.5	-75.5	45.2	-113	0	0	111.9	N195 R200 A201	N195-E197 VanDerWaalsContact C-N 3.27Å; N195-E197 PolarHBondContact O-N 2.81Å; E197-R200 PolarHBondContact O-N 3.05Å; E197-R200 IonicContact OE1-CZ 3.19Å; E197-R200 IonicContact OE1-NH1 3.49Å; E197-R200 PolarHBondContact OE1-NH1 2.87Å; E197-R200 IonicContact OE1-NH2 2.71Å; E197-R200 PolarHBondContact OE1-NH2 3.48Å; E197-A201 PolarHBondContact O-N 3.14Å
198	E	92.6	Very high	91.1	Very high	40 Å²	40	51.9 Å²	51.9	19%	0.187	27%	0.272	C	S	.	.	H	α-helix	trans	-70.9	-46.4	175.3	-71.9	166.2	-138.9	0	0	111.2	G171 N172 F193 N195 V196 R200 A201 A202	G171-E198 WeakPolarHBondContact CA-OE2 3.26Å; N172-E198 PolarHBondContact N-OE2 3.2Å; F193-E198 HydrophobicContact CB-CB 4.29Å; F193-E198 HydrophobicContact CD1-CB 3.98Å; F193-E198 HydrophobicContact CG-CB 4.41Å; N195-E198 HydrophobicContact CB-CG 4.24Å; N195-E198 WeakPolarHBondContact CB-OE1 3.34Å; N195-E198 PolarHBondContact ND2-OE1 2.94Å; N195-E198 PolarHBondContact O-N 2.96Å; V196-E198 VanDerWaalsContact C-N 3.33Å; E198-R200 PolarHBondContact O-N 2.88Å; E198-A201 PolarHBondContact O-N 2.98Å; E198-A202 WeakPolarHBondContact O-CB 3.48Å; E198-A202 PolarHBondContact O-N 2.88Å
199	A	91.6	Very high	90.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-58.9	-35.9	173.1	0	0	0	0	0	112	T144 L147 F193 N195 V196 K203	T144-A199 WeakPolarHBondContact O-CB 3.34Å; L147-A199 WeakPolarHBondContact CD1-O 3.34Å; L147-A199 HydrophobicContact CD2-CB 4.07Å; L147-A199 HydrophobicContact CG-CB 4.15Å; F193-A199 HydrophobicContact CB-CB 4.26Å; F193-A199 HydrophobicContact CD2-CB 3.89Å; F193-A199 HydrophobicContact CG-CB 4.22Å; N195-A199 PolarHBondContact O-N 2.79Å; V196-A199 PolarHBondContact O-N 2.93Å; A199-K203 WeakPolarHBondContact O-CB 3.46Å; A199-K203 PolarHBondContact O-N 3.19Å
200	R	92.6	Very high	90.4	Very high	77 Å²	77	52.3 Å²	52.3	29%	0.291	28%	0.282	S	S	.	.	H	α-helix	trans	-65	-49.9	174.2	-173.2	-179	-50.1	113	9.2	111.9	V196 E197 E198 A202 K203 E204	V196-R200 WeakPolarHBondContact O-CB 3.48Å; V196-R200 PolarHBondContact O-N 3.47Å; E197-R200 PolarHBondContact O-N 3.05Å; E197-R200 IonicContact OE1-CZ 3.19Å; E197-R200 IonicContact OE1-NH1 3.49Å; E197-R200 PolarHBondContact OE1-NH1 2.87Å; E197-R200 IonicContact OE1-NH2 2.71Å; E197-R200 PolarHBondContact OE1-NH2 3.48Å; E198-R200 PolarHBondContact O-N 2.88Å; R200-A202 PolarHBondContact O-N 2.87Å; R200-K203 PolarHBondContact O-N 2.81Å; R200-E204 WeakPolarHBondContact CG-OE1 3.29Å; R200-E204 WeakPolarHBondContact O-CG 3.41Å; R200-E204 PolarHBondContact O-N 2.86Å
201	A	92.1	Very high	89.9	Confident	45 Å²	45	52.2 Å²	52.2	37%	0.372	28%	0.282	S	S	.	.	H	α-helix	trans	-62.1	-41.9	177.8	0	0	0	0	0	112.3	E197 E198 E204 Q205	E197-A201 PolarHBondContact O-N 3.14Å; E198-A201 PolarHBondContact O-N 2.98Å; A201-E204 PolarHBondContact O-N 3.29Å; A201-Q205 PolarHBondContact O-N 3.24Å
202	A	92.7	Very high	89.2	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-62.7	-42.8	175	0	0	0	0	0	111.8	L147 H170 F193 E198 R200 Q205 L206	L147-A202 HydrophobicContact CD1-CB 3.8Å; H170-A202 HydrophobicContact CB-CB 3.64Å; F193-A202 HydrophobicContact CE1-CB 3.94Å; F193-A202 HydrophobicContact CE2-CB 4.03Å; F193-A202 HydrophobicContact CZ-CB 3.42Å; F193-A202 VanDerWaalsContact CZ-CB 3.42Å; E198-A202 WeakPolarHBondContact O-CB 3.48Å; E198-A202 PolarHBondContact O-N 2.88Å; R200-A202 PolarHBondContact O-N 2.87Å; A202-Q205 PolarHBondContact O-N 3.26Å; A202-L206 HydrophobicContact CB-CD1 4.42Å; A202-L206 VanDerWaalsContact O-CB 3.24Å; A202-L206 WeakPolarHBondContact O-CB 3.37Å; A202-L206 VanDerWaalsContact O-CG 3.3Å; A202-L206 WeakPolarHBondContact O-CG 3.46Å; A202-L206 PolarHBondContact O-N 2.88Å
203	K	92.5	Very high	88.3	Confident	34 Å²	34	58.4 Å²	58.4	15%	0.148	32%	0.318	C	S	.	.	H	α-helix	trans	-61.1	-47.9	174.5	-168.4	-159.9	-178.3	-45.1	0	111.3	L147 A199 R200 Q205 L206 D207 V220 Y222	L147-K203 HydrophobicContact CD1-CB 4.28Å; L147-K203 HydrophobicContact CD2-CB 4.22Å; A199-K203 WeakPolarHBondContact O-CB 3.46Å; A199-K203 PolarHBondContact O-N 3.19Å; R200-K203 PolarHBondContact O-N 2.81Å; K203-Q205 PolarHBondContact O-N 2.89Å; K203-L206 PolarHBondContact O-N 2.97Å; K203-D207 IonicContact NZ-OD2 2.65Å; K203-D207 PolarHBondContact NZ-OD2 3.21Å; K203-D207 WeakPolarHBondContact O-CB 3.34Å; K203-D207 PolarHBondContact O-N 3.37Å; K203-D207 VanDerWaalsContact O-N 3.09Å; K203-V220 HydrophobicContact CB-CG1 4.33Å; K203-V220 WeakPolarHBondContact CE-O 3.38Å; K203-V220 HydrophobicContact CG-CB 4.27Å; K203-V220 HydrophobicContact CG-CG1 4.01Å; K203-V220 PolarHBondContact NZ-O 3.48Å; K203-Y222 HydrophobicContact CD-CD2 4.3Å; K203-Y222 HydrophobicContact CD-CE2 3.8Å
204	E	90.3	Very high	87.3	Confident	151 Å²	151	61 Å²	61	71%	0.706	35%	0.345	S	S	*	.	H	α-helix	trans	-63.4	-24.3	-177.1	-74.4	173.9	-161.6	0	0	113.6	R200 A201	R200-E204 WeakPolarHBondContact CG-OE1 3.29Å; R200-E204 WeakPolarHBondContact O-CG 3.41Å; R200-E204 PolarHBondContact O-N 2.86Å; A201-E204 PolarHBondContact O-N 3.29Å
205	Q	89.1	Confident	86.6	Confident	126 Å²	126	56.4 Å²	56.4	59%	0.589	32%	0.324	S	S	*	.	H	α-helix	trans	-101.1	-25.6	179.5	-171	55.5	87.1	0	0	114.9	H170 A201 A202 K203	H170-Q205 VanDerWaalsContact CE1-CG 3.48Å; H170-Q205 WeakPolarHBondContact CE1-CG 3.3Å; A201-Q205 PolarHBondContact O-N 3.24Å; A202-Q205 PolarHBondContact O-N 3.26Å; K203-Q205 PolarHBondContact O-N 2.89Å
206	L	89.9	Confident	86	Confident	14 Å²	14	53 Å²	53	7%	0.073	31%	0.306	C	S	.	.	H	α-helix	trans	-100.7	-19.5	-176.3	-61.9	174.4	0	0	0	114.3	I166 A202 K203 G208 A209 L218 V220	I166-L206 HydrophobicContact CB-CD2 4.32Å; A202-L206 HydrophobicContact CB-CD1 4.42Å; A202-L206 VanDerWaalsContact O-CB 3.24Å; A202-L206 WeakPolarHBondContact O-CB 3.37Å; A202-L206 VanDerWaalsContact O-CG 3.3Å; A202-L206 WeakPolarHBondContact O-CG 3.46Å; A202-L206 PolarHBondContact O-N 2.88Å; K203-L206 PolarHBondContact O-N 2.97Å; L206-G208 PolarHBondContact O-N 2.98Å; L206-A209 WeakPolarHBondContact O-CB 3.45Å; L206-A209 PolarHBondContact O-N 3.19Å; L206-A209 VanDerWaalsContact O-N 3.16Å; L206-L218 HydrophobicContact CB-CD1 4.13Å; L206-L218 HydrophobicContact CD2-CD1 4.38Å; L206-L218 WeakPolarHBondContact O-CB 3.24Å; L206-V220 HydrophobicContact CB-CG2 4.09Å
207	D	88.4	Confident	85.7	Confident	71 Å²	71	53.9 Å²	53.9	38%	0.38	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	114.2	-179.5	-162.6	17.9	0	0	0	111.4	K203 V220	K203-D207 IonicContact NZ-OD2 2.65Å; K203-D207 PolarHBondContact NZ-OD2 3.21Å; K203-D207 WeakPolarHBondContact O-CB 3.34Å; K203-D207 PolarHBondContact O-N 3.37Å; K203-D207 VanDerWaalsContact O-N 3.09Å; D207-V220 HydrophobicContact CB-CB 4.02Å; D207-V220 HydrophobicContact CB-CG2 4.41Å; D207-V220 PolarHBondContact OD1-N 2.84Å
208	G	84.8	Confident	85.6	Confident	65 Å²	65	48.8 Å²	48.8	67%	0.67	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	88	1.8	-174	0	0	0	0	0	115.7	L206 L218	L206-G208 PolarHBondContact O-N 2.98Å; G208-L218 VanDerWaalsContact CA-O 3.29Å; G208-L218 WeakPolarHBondContact CA-O 3.33Å; G208-L218 PolarHBondContact N-O 3.48Å
209	A	84.4	Confident	85.4	Confident	32 Å²	32	50.8 Å²	50.8	26%	0.264	30%	0.301	S	S	.	.			trans	-82.4	163.3	175.8	0	0	0	0	0	112.7	L206 L218	L206-A209 WeakPolarHBondContact O-CB 3.45Å; L206-A209 PolarHBondContact O-N 3.19Å; L206-A209 VanDerWaalsContact O-N 3.16Å; A209-L218 WeakPolarHBondContact O-CB 3.42Å; A209-L218 PolarHBondContact O-N 3.32Å
210	D	84.1	Confident	85.4	Confident	76 Å²	76	50.9 Å²	50.9	41%	0.406	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	132.1	173.5	55.7	-20.6	0	0	0	112.3	Y212 S213 G214	D210-Y212 VanDerWaalsContact C-N 3.29Å; D210-Y212 PolarHBondContact O-N 3.29Å; D210-S213 VanDerWaalsContact OD2-CA 3.26Å; D210-S213 WeakPolarHBondContact OD2-CA 3.37Å; D210-G214 PolarHBondContact OD2-N 3.31Å
211	I	81.8	Confident	85.3	Confident	26 Å²	26	49.3 Å²	49.3	13%	0.133	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	-32.8	179.7	-58.6	176.7	0	0	0	110.9	I151 I158 V162 I163 I166 C216 L218	I151-I211 HydrophobicContact CG2-CD1 4.23Å; I158-I211 HydrophobicContact CD1-CD1 3.71Å; I158-I211 HydrophobicContact CD1-CG2 4.18Å; I158-I211 HydrophobicContact CG1-CD1 4.42Å; V162-I211 HydrophobicContact CG1-CG2 3.62Å; I163-I211 HydrophobicContact CD1-CD1 4.5Å; I166-I211 HydrophobicContact CD1-CD1 3.98Å; I166-I211 HydrophobicContact CD1-CG1 4.03Å; I211-C216 HydrophobicContact CB-CB 3.84Å; I211-C216 HydrophobicContact CD1-CB 4.25Å; I211-C216 HydrophobicContact CG1-CB 4.24Å; I211-C216 PolarHBondContact N-O 3.17Å; I211-C216 VanDerWaalsContact N-O 3.12Å; I211-L218 HydrophobicContact CD1-CD2 3.95Å; I211-L218 HydrophobicContact CG1-CD1 4.17Å; I211-L218 HydrophobicContact CG1-CD2 4.08Å; I211-L218 HydrophobicContact CG1-CG 4.14Å
212	Y	78.1	Confident	85.3	Confident	54 Å²	54	48.5 Å²	48.5	21%	0.212	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	134.1	174.5	-52.1	-80.5	0	0	0	109.1	Y156 I158 D210 G214 C215 C216 T259	Y156-Y212 AromaticContact CD2-CD2 3.89Å; Y156-Y212 HydrophobicContact CD2-CD2 3.89Å; Y156-Y212 HydrophobicContact CD2-CE2 4.43Å; Y156-Y212 HydrophobicContact CD2-CG 4.16Å; Y156-Y212 HydrophobicContact CG-CD2 4.14Å; Y156-Y212 HydrophobicContact CG-CE2 4.23Å; I158-Y212 HydrophobicContact CD1-CE2 3.77Å; D210-Y212 VanDerWaalsContact C-N 3.29Å; D210-Y212 PolarHBondContact O-N 3.29Å; Y212-G214 PolarHBondContact O-N 2.79Å; Y212-C215 PolarHBondContact N-O 3.47Å; Y212-C215 CarbonylContact O-C 3.54Å; Y212-C215 PolarHBondContact O-N 3.09Å; Y212-C215 PolarHBondContact O-SG 3.43Å; Y212-C215 VanDerWaalsContact O-SG 3.38Å; Y212-C216 HydrophobicContact CD2-CB 4.21Å; Y212-T259 HydrophobicContact CD1-CG2 3.97Å; Y212-T259 HydrophobicContact CE1-CG2 3.89Å
213	S	74.5	Confident	85.1	Confident	87 Å²	87	49.1 Å²	49.1	61%	0.608	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47	109.8	-169.8	-57.8	0	0	0	0	114.7	D210 L261	D210-S213 VanDerWaalsContact OD2-CA 3.26Å; D210-S213 WeakPolarHBondContact OD2-CA 3.37Å; S213-L261 WeakPolarHBondContact OG-CD1 3.27Å
214	G	71.5	Confident	84.5	Confident	55 Å²	55	57.5 Å²	57.5	57%	0.567	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.6	3.7	-179.8	0	0	0	0	0	116.4	D210 Y212	D210-G214 PolarHBondContact OD2-N 3.31Å; Y212-G214 PolarHBondContact O-N 2.79Å
215	C	75.6	Confident	84	Confident	7 Å²	7	54.4 Å²	54.4	5%	0.047	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	169.8	-178.8	61.9	0	0	0	0	113.3	N153 E155 Y156 Y212 N217	N153-C215 WeakPolarHBondContact ND2-CB 3.4Å; E155-C215 HydrophobicContact CB-CB 4.2Å; Y156-C215 VanDerWaalsContact CD2-SG 3.6Å; Y156-C215 VanDerWaalsContact CE2-SG 3.6Å; Y212-C215 PolarHBondContact N-O 3.47Å; Y212-C215 CarbonylContact O-C 3.54Å; Y212-C215 PolarHBondContact O-N 3.09Å; Y212-C215 PolarHBondContact O-SG 3.43Å; Y212-C215 VanDerWaalsContact O-SG 3.38Å; C215-N217 VanDerWaalsContact C-N 3.34Å; C215-N217 VanDerWaalsContact CA-OD1 3.28Å; C215-N217 WeakPolarHBondContact CA-OD1 3.36Å
216	C	77.8	Confident	83.4	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	54.5	50.1	-172.5	-53.6	0	0	0	0	111.4	I151 S152 N153 I158 I211 Y212	I151-C216 HydrophobicContact CG2-CB 3.93Å; S152-C216 CarbonylContact O-C 3.55Å; S152-C216 WeakPolarHBondContact O-CA 3.37Å; S152-C216 PolarHBondContact O-N 3.02Å; N153-C216 PolarHBondContact O-N 3.19Å; I158-C216 HydrophobicContact CD1-CB 4.22Å; I211-C216 HydrophobicContact CB-CB 3.84Å; I211-C216 HydrophobicContact CD1-CB 4.25Å; I211-C216 HydrophobicContact CG1-CB 4.24Å; I211-C216 PolarHBondContact N-O 3.17Å; I211-C216 VanDerWaalsContact N-O 3.12Å; Y212-C216 HydrophobicContact CD2-CB 4.21Å
217	N	84.5	Confident	82.8	Confident	61 Å²	61	63.5 Å²	63.5	33%	0.326	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	124.8	-175	-52.8	52.7	0	0	0	110.4	S152 C215	S152-N217 PolarHBondContact N-O 2.94Å; S152-N217 PolarHBondContact O-N 3.08Å; S152-N217 PolarHBondContact OG-O 3.26Å; C215-N217 VanDerWaalsContact C-N 3.34Å; C215-N217 VanDerWaalsContact CA-OD1 3.28Å; C215-N217 WeakPolarHBondContact CA-OD1 3.36Å
218	L	88.4	Confident	82.4	Confident	4 Å²	4	60.2 Å²	60.2	2%	0.021	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	134.2	-174.2	-61.7	178.6	0	0	0	112.6	L149 D150 I151 I166 L206 G208 A209 I211 V220	L149-L218 HydrophobicContact CB-CD2 4.41Å; L149-L218 HydrophobicContact CD2-CD1 4.26Å; L149-L218 HydrophobicContact CD2-CD2 4.03Å; D150-L218 CarbonylContact O-C 3.59Å; D150-L218 WeakPolarHBondContact O-CA 3.38Å; I151-L218 HydrophobicContact CB-CD2 4.35Å; I151-L218 HydrophobicContact CG1-CD2 3.66Å; I151-L218 HydrophobicContact CG2-CD2 4.36Å; I166-L218 HydrophobicContact CD1-CD1 4.05Å; L206-L218 HydrophobicContact CB-CD1 4.13Å; L206-L218 HydrophobicContact CD2-CD1 4.38Å; L206-L218 WeakPolarHBondContact O-CB 3.24Å; G208-L218 VanDerWaalsContact CA-O 3.29Å; G208-L218 WeakPolarHBondContact CA-O 3.33Å; G208-L218 PolarHBondContact N-O 3.48Å; A209-L218 WeakPolarHBondContact O-CB 3.42Å; A209-L218 PolarHBondContact O-N 3.32Å; I211-L218 HydrophobicContact CD1-CD2 3.95Å; I211-L218 HydrophobicContact CG1-CD1 4.17Å; I211-L218 HydrophobicContact CG1-CD2 4.08Å; I211-L218 HydrophobicContact CG1-CG 4.14Å; L218-V220 HydrophobicContact CB-CG2 4.14Å
219	T	88.9	Confident	81.9	Confident	82 Å²	82	63.1 Å²	63.1	50%	0.503	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	124.1	157.9	-55.3	0	0	0	0	108.1	L149 D150	L149-T219 WeakPolarHBondContact CA-O 3.49Å; D150-T219 PolarHBondContact N-O 2.86Å; D150-T219 PolarHBondContact O-N 3.26Å
220	V	91.5	Very high	81.3	Confident	2 Å²	2	63 Å²	63	1%	0.012	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	116.5	-167.1	-171.9	0	0	0	0	111.4	L147 H148 L149 K203 L206 D207 L218	L147-V220 HydrophobicContact CB-CG1 4.05Å; L147-V220 HydrophobicContact CD1-CG1 3.77Å; L147-V220 HydrophobicContact CD2-CG1 4.4Å; L147-V220 HydrophobicContact CG-CG1 4.3Å; H148-V220 WeakPolarHBondContact O-CA 3.45Å; L149-V220 HydrophobicContact CD2-CG2 3.96Å; L149-V220 HydrophobicContact CG-CG1 4.26Å; L149-V220 HydrophobicContact CG-CG2 4.04Å; K203-V220 HydrophobicContact CB-CG1 4.33Å; K203-V220 WeakPolarHBondContact CE-O 3.38Å; K203-V220 HydrophobicContact CG-CB 4.27Å; K203-V220 HydrophobicContact CG-CG1 4.01Å; K203-V220 PolarHBondContact NZ-O 3.48Å; L206-V220 HydrophobicContact CB-CG2 4.09Å; D207-V220 HydrophobicContact CB-CB 4.02Å; D207-V220 HydrophobicContact CB-CG2 4.41Å; D207-V220 PolarHBondContact OD1-N 2.84Å; L218-V220 HydrophobicContact CB-CG2 4.14Å
221	A	90.9	Very high	80.4	Confident	44 Å²	44	63.8 Å²	63.8	36%	0.364	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	157.3	-179.4	0	0	0	0	0	111.8	L147 H148 S223	L147-A221 WeakPolarHBondContact CA-O 3.3Å; H148-A221 PolarHBondContact N-O 3.36Å; H148-A221 PolarHBondContact O-N 3.07Å; A221-S223 PolarHBondContact O-N 3.04Å
222	Y	91.8	Very high	79.7	Confident	28 Å²	28	68.6 Å²	68.6	11%	0.11	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	127.5	168	-66.6	-67.1	0	0	0	109.9	S142 P143 T144 L147 K203	S142-Y222 WeakPolarHBondContact O-CB 3.43Å; P143-Y222 HydrophobicContact CB-CD1 4.44Å; P143-Y222 HydrophobicContact CB-CE1 3.88Å; P143-Y222 HydrophobicContact CB-CE2 4.08Å; T144-Y222 VanDerWaalsContact N-CD1 3.33Å; T144-Y222 WeakPolarHBondContact O-CD1 3.45Å; L147-Y222 HydrophobicContact CD2-CD1 3.76Å; L147-Y222 HydrophobicContact CD2-CE1 4Å; K203-Y222 HydrophobicContact CD-CD2 4.3Å; K203-Y222 HydrophobicContact CD-CE2 3.8Å
223	S	88	Confident	79.5	Confident	13 Å²	13	69 Å²	69	9%	0.091	36%	0.361	C	S	.	.			trans	-76.8	147.7	177.2	-172.1	0	0	0	0	110.8	T144 I146 A221 L225	T144-S223 WeakPolarHBondContact CG2-O 3.47Å; T144-S223 PolarHBondContact OG1-O 2.93Å; I146-S223 VanDerWaalsContact O-CB 3.29Å; I146-S223 WeakPolarHBondContact O-CB 3.34Å; I146-S223 PolarHBondContact O-N 3.22Å; A221-S223 PolarHBondContact O-N 3.04Å; S223-L225 VanDerWaalsContact C-N 3.34Å; S223-L225 PolarHBondContact OG-N 2.96Å
224	R	80.6	Confident	79.7	Confident	209 Å²	209	67.3 Å²	67.3	79%	0.789	35%	0.345	S	S	*	.	S	Bend	trans	-87.8	-2.9	174.6	-65.5	178.6	173.6	176.7	-4.8	113.2
225	L	79.9	Confident	80.2	Confident	86 Å²	86	67.8 Å²	67.8	45%	0.45	34%	0.339	S	S	.	.			trans	-72	149.6	173	-62.2	175.1	0	0	0	110.1	I146 L190 S223	I146-L225 HydrophobicContact CD1-CB 4.46Å; L190-L225 HydrophobicContact CD1-CD1 3.56Å; L190-L225 HydrophobicContact CD2-CD1 4.07Å; L190-L225 HydrophobicContact CG-CD1 4.46Å; S223-L225 VanDerWaalsContact C-N 3.34Å; S223-L225 PolarHBondContact OG-N 2.96Å
226	Q	76.5	Confident	80.5	Confident	179 Å²	179	72.6 Å²	72.6	84%	0.836	36%	0.361	S	S	*	.	S	Bend	trans	-91.8	-14	173	-65	-175.2	-1.5	0	0	113.1
227	R	76.8	Confident	80.7	Confident	152 Å²	152	73 Å²	73	57%	0.574	36%	0.364	S	S	*	.	S	Bend	trans	-160.1	148.9	-179.4	-166.8	174.8	178.6	-172.9	-3.3	109.7	I146	I146-R227 VanDerWaalsContact CD1-CA 3.43Å; I146-R227 VanDerWaalsContact CD1-N 3.31Å
228	V	80.1	Confident	80.7	Confident	2 Å²	2	71.4 Å²	71.4	1%	0.012	35%	0.353	C	S	.	.			trans	-88.2	127	168.1	177.5	0	0	0	0	109.1	I146 R175 F177 L190 E192 V230	I146-V228 HydrophobicContact CD1-CG2 4.29Å; I146-V228 HydrophobicContact CG2-CG2 3.71Å; R175-V228 HydrophobicContact CB-CB 4.06Å; R175-V228 HydrophobicContact CB-CG1 4.26Å; R175-V228 WeakPolarHBondContact CD-O 3.28Å; F177-V228 HydrophobicContact CB-CG1 3.62Å; L190-V228 HydrophobicContact CB-CG1 4.35Å; L190-V228 HydrophobicContact CB-CG2 3.93Å; E192-V228 HydrophobicContact CB-CB 4.26Å; E192-V228 HydrophobicContact CB-CG2 3.89Å; E192-V228 PolarHBondContact OE2-N 2.89Å; V228-V230 HydrophobicContact CG1-CG2 4.26Å
229	H	74.3	Confident	80.5	Confident	126 Å²	126	72.7 Å²	72.7	58%	0.583	36%	0.36	S	S	*	.			trans	-92.5	109.5	-179.7	-175.1	93.8	0	0	0	110.3	T231	H229-T231 VanDerWaalsContact NE2-CG2 3.34Å; H229-T231 WeakPolarHBondContact NE2-CG2 3.45Å
230	V	72.3	Confident	80.2	Confident	29 Å²	29	70.3 Å²	70.3	18%	0.176	34%	0.343	C	S	.	.			trans	-105.2	124.2	177.7	176.3	0	0	0	0	108.9	R175 V228 Q232 D239	R175-V230 HydrophobicContact CB-CG2 4.01Å; R175-V230 HydrophobicContact CG-CG2 4.28Å; V228-V230 HydrophobicContact CG1-CG2 4.26Å; V230-Q232 WeakPolarHBondContact CG1-O 3.38Å; V230-D239 HydrophobicContact CB-CB 4.28Å; V230-D239 HydrophobicContact CG1-CB 4.21Å
231	T	65.1	Low	79.5	Confident	93 Å²	93	73.7 Å²	73.7	57%	0.571	36%	0.364	S	S	*	.			trans	-100.5	-25.2	-178.7	55.3	0	0	0	0	113.6	H229	H229-T231 VanDerWaalsContact NE2-CG2 3.34Å; H229-T231 WeakPolarHBondContact NE2-CG2 3.45Å
232	Q	65.7	Low	78.1	Confident	127 Å²	127	72.9 Å²	72.9	59%	0.593	36%	0.36	S	S	*	.	S	Bend	trans	-144.2	154.6	-177.6	-64.8	176.4	112.8	0	0	108.1	V230 S237	V230-Q232 WeakPolarHBondContact CG1-O 3.38Å; Q232-S237 CarbonylContact O-C 3.55Å; Q232-S237 PolarHBondContact O-OG 3.43Å; Q232-S237 VanDerWaalsContact O-OG 3.11Å
233	N	75.5	Confident	76.2	Confident	64 Å²	64	78 Å²	78	34%	0.342	40%	0.396	S	S	.	.			trans	-103.7	96.9	170.6	-84.4	19.2	0	0	0	108.1	S237 W238 D239	N233-S237 CarbonylContact C-O 3.39Å; N233-S237 WeakPolarHBondContact CA-O 3.41Å; N233-W238 VanDerWaalsContact C-CE3 3.48Å; N233-W238 HydrophobicContact CB-CD2 3.75Å; N233-W238 HydrophobicContact CB-CE3 3.6Å; N233-W238 HydrophobicContact CB-CG 4.34Å; N233-W238 HydrophobicContact CB-CH2 4.21Å; N233-W238 HydrophobicContact CB-CZ2 4.35Å; N233-W238 HydrophobicContact CB-CZ3 3.84Å; N233-W238 PolarHBondContact ND2-NE1 2.91Å; N233-D239 PolarHBondContact ND2-O 2.86Å; N233-D239 PolarHBondContact OD1-N 3Å
234	D	78.8	Confident	74.6	Confident	51 Å²	51	80 Å²	80	27%	0.273	41%	0.41	S	S	.	.	S	Bend	trans	-140.5	-165.8	-177.4	62.2	32.7	0	0	0	111.4	E236 S237	D234-E236 VanDerWaalsContact C-N 3.27Å; D234-E236 PolarHBondContact O-N 3.44Å; D234-E236 WeakPolarHBondContact OD1-CA 3.45Å; D234-E236 PolarHBondContact OD1-N 2.83Å; D234-S237 PolarHBondContact N-O 3.3Å; D234-S237 PolarHBondContact OD1-N 2.91Å
235	S	81.6	Confident	73.1	Confident	65 Å²	65	71 Å²	71	46%	0.455	38%	0.382	S	S	.	.	S	Bend	trans	-73.8	-14.4	-179.3	53.3	0	0	0	0	114.5	T159 V160	T159-S235 WeakPolarHBondContact CA-O 3.35Å; V160-S235 PolarHBondContact N-O 2.91Å
236	E	80.7	Confident	71.4	Confident	108 Å²	108	74.9 Å²	74.9	51%	0.505	40%	0.404	S	S	.	.	S	Bend	trans	-105.6	-26.8	-178.7	-61	-172.1	157.8	0	0	111.9	F177 I178 D234	F177-E236 CarbonylContact C-O 3.58Å; I178-E236 WeakPolarHBondContact CA-O 3.5Å; I178-E236 WeakPolarHBondContact CB-O 3.29Å; I178-E236 PolarHBondContact N-O 2.74Å; D234-E236 VanDerWaalsContact C-N 3.27Å; D234-E236 PolarHBondContact O-N 3.44Å; D234-E236 WeakPolarHBondContact OD1-CA 3.45Å; D234-E236 PolarHBondContact OD1-N 2.83Å
237	S	83.5	Confident	69.8	Low	7 Å²	7	72.3 Å²	72.3	5%	0.049	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	146.1	175	61.5	0	0	0	0	113.4	T176 Q232 N233 D234	T176-S237 CarbonylContact O-C 3.5Å; T176-S237 WeakPolarHBondContact O-CA 3.27Å; Q232-S237 CarbonylContact O-C 3.55Å; Q232-S237 PolarHBondContact O-OG 3.43Å; Q232-S237 VanDerWaalsContact O-OG 3.11Å; N233-S237 CarbonylContact C-O 3.39Å; N233-S237 WeakPolarHBondContact CA-O 3.41Å; D234-S237 PolarHBondContact N-O 3.3Å; D234-S237 PolarHBondContact OD1-N 2.91Å
238	W	83.5	Confident	68.1	Low	29 Å²	29	74.1 Å²	74.1	11%	0.11	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	137.5	-177.2	-162.9	-77	0	0	0	113.5	V160 R175 T176 N233 F240 P250	V160-W238 HydrophobicContact CB-CB 4.37Å; V160-W238 HydrophobicContact CG1-CB 3.55Å; V160-W238 HydrophobicContact CG1-CG 4.16Å; V160-W238 HydrophobicContact CG2-CB 4.03Å; R175-W238 WeakPolarHBondContact CA-O 3.43Å; T176-W238 PolarHBondContact N-O 2.94Å; T176-W238 PolarHBondContact O-N 3Å; N233-W238 VanDerWaalsContact C-CE3 3.48Å; N233-W238 HydrophobicContact CB-CD2 3.75Å; N233-W238 HydrophobicContact CB-CE3 3.6Å; N233-W238 HydrophobicContact CB-CG 4.34Å; N233-W238 HydrophobicContact CB-CH2 4.21Å; N233-W238 HydrophobicContact CB-CZ2 4.35Å; N233-W238 HydrophobicContact CB-CZ3 3.84Å; N233-W238 PolarHBondContact ND2-NE1 2.91Å; W238-F240 HydrophobicContact CB-CZ 4.3Å; W238-F240 AromaticContact CD1-CD1 3.26Å; W238-F240 AromaticContact CD1-CE1 3.19Å; W238-F240 AromaticContact CD1-CG 3.85Å; W238-F240 AromaticContact CD1-CZ 3.75Å; W238-F240 HydrophobicContact CG-CD1 4.34Å; W238-F240 AromaticContact CG-CE1 3.9Å; W238-F240 HydrophobicContact CG-CE1 3.9Å; W238-F240 HydrophobicContact CG-CZ 4.17Å; W238-F240 AromaticContact NE1-CD1 3.47Å; W238-F240 AromaticContact NE1-CE1 3.56Å; W238-P250 HydrophobicContact CZ3-CG 4.3Å
239	D	84.1	Confident	66	Low	30 Å²	30	75.4 Å²	75.4	16%	0.16	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	117.7	170.5	-169.7	-26.1	0	0	0	110.1	R175 V230 N233 T241 G242	R175-D239 HydrophobicContact CG-CB 4.2Å; R175-D239 IonicContact CZ-OD2 3.57Å; R175-D239 IonicContact NE-OD1 3.63Å; R175-D239 IonicContact NE-OD2 2.66Å; R175-D239 PolarHBondContact NE-OD2 3.34Å; R175-D239 IonicContact NH2-OD2 2.82Å; R175-D239 PolarHBondContact NH2-OD2 3.41Å; V230-D239 HydrophobicContact CB-CB 4.28Å; V230-D239 HydrophobicContact CG1-CB 4.21Å; N233-D239 PolarHBondContact ND2-O 2.86Å; N233-D239 PolarHBondContact OD1-N 3Å; D239-T241 WeakPolarHBondContact OD1-CA 3.28Å; D239-T241 WeakPolarHBondContact OD1-CB 3.26Å; D239-T241 PolarHBondContact OD1-N 3.03Å; D239-T241 PolarHBondContact OD1-OG1 3.22Å; D239-T241 PolarHBondContact OD2-OG1 2.89Å; D239-G242 PolarHBondContact OD1-N 3.13Å
240	F	82.9	Confident	63.9	Low	32 Å²	32	74.4 Å²	74.4	14%	0.14	43%	0.428	C	S	.	.	S	Bend	trans	-88.1	-10.4	178.6	-57.1	-69.1	0	0	0	113	V160 K164 I173 L174 W238 G245	V160-F240 HydrophobicContact CG1-CE1 4.42Å; V160-F240 HydrophobicContact CG1-CZ 3.67Å; K164-F240 HydrophobicContact CB-CZ 4.39Å; K164-F240 HydrophobicContact CD-CD1 4.49Å; K164-F240 HydrophobicContact CD-CE1 3.71Å; K164-F240 HydrophobicContact CD-CE2 4.42Å; K164-F240 HydrophobicContact CD-CZ 3.67Å; K164-F240 HydrophobicContact CG-CZ 4.3Å; I173-F240 HydrophobicContact CB-CD2 4.25Å; I173-F240 HydrophobicContact CB-CE2 4.38Å; I173-F240 HydrophobicContact CG2-CD2 3.94Å; I173-F240 HydrophobicContact CG2-CE2 3.88Å; I173-F240 WeakPolarHBondContact O-CB 3.34Å; I173-F240 VanDerWaalsContact O-CD2 3.29Å; I173-F240 WeakPolarHBondContact O-CD2 3.47Å; L174-F240 PolarHBondContact O-N 3.38Å; W238-F240 HydrophobicContact CB-CZ 4.3Å; W238-F240 AromaticContact CD1-CD1 3.26Å; W238-F240 AromaticContact CD1-CE1 3.19Å; W238-F240 AromaticContact CD1-CG 3.85Å; W238-F240 AromaticContact CD1-CZ 3.75Å; W238-F240 HydrophobicContact CG-CD1 4.34Å; W238-F240 AromaticContact CG-CE1 3.9Å; W238-F240 HydrophobicContact CG-CE1 3.9Å; W238-F240 HydrophobicContact CG-CZ 4.17Å; W238-F240 AromaticContact NE1-CD1 3.47Å; W238-F240 AromaticContact NE1-CE1 3.56Å; F240-G245 WeakPolarHBondContact O-CA 3.42Å
241	T	76.6	Confident	62	Low	74 Å²	74	79.5 Å²	79.5	45%	0.454	45%	0.454	S	S	.	.	S	Bend	trans	-83.8	-14.9	177.6	68.2	0	0	0	0	113.7	L174 R175 D239	L174-T241 HydrophobicContact CB-CG2 3.67Å; L174-T241 HydrophobicContact CD2-CG2 3.69Å; L174-T241 HydrophobicContact CG-CG2 4.17Å; R175-T241 PolarHBondContact NH2-OG1 2.83Å; R175-T241 VanDerWaalsContact NH2-OG1 3.14Å; D239-T241 WeakPolarHBondContact OD1-CA 3.28Å; D239-T241 WeakPolarHBondContact OD1-CB 3.26Å; D239-T241 PolarHBondContact OD1-N 3.03Å; D239-T241 PolarHBondContact OD1-OG1 3.22Å; D239-T241 PolarHBondContact OD2-OG1 2.89Å
242	G	62.5	Low	60.2	Low	27 Å²	27	82.7 Å²	82.7	28%	0.278	47%	0.468	S	S	.	.	S	Bend	trans	-75	171.4	176.4	0	0	0	0	0	114	D239 S244 G245	D239-G242 PolarHBondContact OD1-N 3.13Å; G242-S244 PolarHBondContact O-N 3.5Å; G242-G245 PolarHBondContact O-N 3.11Å
243	P	52	Low	58.3	Low	135 Å²	135	84.2 Å²	84.2	88%	0.877	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-56.4	-20.3	177.5	-26.2	35.5	0	0	0	115	G245	P243-G245 VanDerWaalsContact C-N 3.32Å
244	S	53	Low	56.2	Low	54 Å²	54	85.3 Å²	85.3	38%	0.378	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-79.7	-5.4	175.1	-50.1	0	0	0	0	114.4	G242 N246 L247	G242-S244 PolarHBondContact O-N 3.5Å; S244-N246 PolarHBondContact O-N 3.11Å; S244-N246 VanDerWaalsContact O-N 3.15Å; S244-L247 PolarHBondContact O-N 3.46Å
245	G	49.3	Very low	53.7	Low	21 Å²	21	88.9 Å²	88.9	22%	0.216	52%	0.522	C	S	.	.	G	3₁₀ helix	trans	-60.7	-24.1	-175.4	0	0	0	0	0	115.2	F240 G242 P243	F240-G245 WeakPolarHBondContact O-CA 3.42Å; G242-G245 PolarHBondContact O-N 3.11Å; P243-G245 VanDerWaalsContact C-N 3.32Å
246	N	44	Very low	51.4	Low	168 Å²	168	91.7 Å²	91.7	90%	0.898	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-95	7.1	177.9	-69.8	-13.5	0	0	0	114	S244	S244-N246 PolarHBondContact O-N 3.11Å; S244-N246 VanDerWaalsContact O-N 3.15Å
247	L	43.9	Very low	49.1	Very low	124 Å²	124	95.1 Å²	95.1	65%	0.649	55%	0.552	S	S	*	*	S	Bend	trans	-96.7	127.9	170.8	-78.2	156.8	0	0	0	109.3	S244	S244-L247 PolarHBondContact O-N 3.46Å
248	E	41.1	Very low	46.4	Very low	190 Å²	190	106.3 Å²	106.3	89%	0.888	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-58.6	145	169.8	-66.5	179.5	107.3	0	0	110.4
249	G	35.2	Very low	44	Very low	30 Å²	30	110 Å²	110	31%	0.309	62%	0.619	S	S	.	*	P	Polyproline II helix	trans	-57.9	151.4	-175.2	0	0	0	0	0	112.9	L251	G249-L251 PolarHBondContact O-N 3.12Å
250	P	31.3	Very low	41.5	Very low	104 Å²	104	116.3 Å²	116.3	68%	0.675	65%	0.652	S	S	*	*	S	Bend	trans	-76.8	47.6	-168.3	32.7	-37.6	0	0	0	114.7	W238	W238-P250 HydrophobicContact CZ3-CG 4.3Å
251	L	32.7	Very low	39	Very low	136 Å²	136	121.2 Å²	121.2	71%	0.712	68%	0.679	S	S	*	*			trans	-144.9	79.9	176	-94.7	176.9	0	0	0	113	G249	G249-L251 PolarHBondContact O-N 3.12Å
252	N	27.4	Very low	36.7	Very low	160 Å²	160	121.3 Å²	121.3	86%	0.856	70%	0.695	S	S	*	*			trans	-125.1	67.3	162.8	-170.3	4.8	0	0	0	111.7
253	N	25.7	Very low	35	Very low	159 Å²	159	125.9 Å²	125.9	85%	0.85	72%	0.722	S	S	*	*	S	Bend	trans	-159.7	51.5	163.2	-135.1	-12.3	0	0	0	115.7
254	S	29.8	Very low	34.1	Very low	88 Å²	88	126.2 Å²	126.2	62%	0.615	72%	0.721	S	S	*	*			trans	-154.6	78.2	167.8	47.8	0	0	0	0	112.1	T256	S254-T256 PolarHBondContact O-N 3.15Å
255	S	27.8	Very low	33	Very low	126 Å²	126	127.4 Å²	127.4	88%	0.881	74%	0.735	S	S	*	*			trans	-75	49.6	-170.1	63.7	0	0	0	0	115.4
256	T	32.1	Very low	32.2	Very low	123 Å²	123	135.2 Å²	135.2	76%	0.755	77%	0.765	S	S	*	*			trans	-141.9	24.2	-173.8	56.8	0	0	0	0	116.4	S254	S254-T256 PolarHBondContact O-N 3.15Å
257	Q	32.1	Very low	31.8	Very low	181 Å²	181	132.5 Å²	132.5	85%	0.846	76%	0.757	S	S	*	*			trans	-132.8	108.8	162.4	-69.9	-163.8	-1.7	0	0	111.6
258	R	28.5	Very low	31.4	Very low	241 Å²	241	132.4 Å²	132.4	91%	0.909	76%	0.764	S	S	*	*			trans	-98	124.6	163.6	-72.7	-173	-178.6	-173.6	1.3	108.5
259	T	32.3	Very low	31.1	Very low	106 Å²	106	130.8 Å²	130.8	65%	0.65	76%	0.762	S	S	*	*			trans	-66.2	139.4	164.8	-7.3	0	0	0	0	109.7	Y212	Y212-T259 HydrophobicContact CD1-CG2 3.97Å; Y212-T259 HydrophobicContact CE1-CG2 3.89Å
260	L	31.8	Very low	31.1	Very low	164 Å²	164	134.2 Å²	134.2	86%	0.859	78%	0.781	S	S	*	*	S	Bend	trans	-104.5	35.9	-167.4	-91.1	168.3	0	0	0	114.4
261	L	30.6	Very low	31.5	Very low	135 Å²	135	133.9 Å²	133.9	71%	0.707	79%	0.787	S	S	*	*			trans	-129.7	130	166.9	-75.5	92.4	0	0	0	109.7	S213	S213-L261 WeakPolarHBondContact OG-CD1 3.27Å
262	G	28	Very low	31.7	Very low	76 Å²	76	133.9 Å²	133.9	78%	0.784	79%	0.792	S	S	*	*			trans	137.7	45.1	179.9	0	0	0	0	0	116.2
263	S	27.5	Very low	32.2	Very low	122 Å²	122	130.3 Å²	130.3	85%	0.853	79%	0.785	S	S	*	*			trans	-161.1	96	166.9	-82.9	0	0	0	0	113.2
264	V	32.1	Very low	33	Very low	142 Å²	142	128.7 Å²	128.7	86%	0.861	78%	0.783	S	S	*	*			trans	-137.6	124.6	158.8	178.3	0	0	0	0	107.8
265	A	30.9	Very low	33.4	Very low	79 Å²	79	128.7 Å²	128.7	65%	0.653	79%	0.788	S	S	*	*			trans	37.7	112.6	166.1	0	0	0	0	0	119
266	Q	32.5	Very low	34	Very low	185 Å²	185	129.8 Å²	129.8	86%	0.864	78%	0.783	S	S	*	*				65.2	155.7	75	-74.5	-171.3	-46.3	0	0	115.5
267	P	35.7	Very low	34.5	Very low	112 Å²	112	131.3 Å²	131.3	73%	0.727	79%	0.786	S	S	*	*			cis	-128.3	173.5	-16.3	27.4	-5.8	0	0	0	113.6
268	P	33.9	Very low	35	Very low	121 Å²	121	128.2 Å²	128.2	79%	0.786	78%	0.781	S	S	*	*			trans	-91.8	152.7	-174.9	35.9	-36.1	0	0	0	115.5
269	N	34.8	Very low	36.2	Very low	157 Å²	157	122.5 Å²	122.5	84%	0.84	78%	0.775	S	S	*	*			trans	-165	152.7	159.4	-97.9	-46.6	0	0	0	107.3
270	S	35.9	Very low	37.1	Very low	102 Å²	102	123.3 Å²	123.3	71%	0.713	78%	0.782	S	S	*	*			cis	168	107.4	-15.8	-97	0	0	0	0	106.2
271	A	38.5	Very low	37.5	Very low	97 Å²	97	120 Å²	120	80%	0.802	78%	0.778	S	S	*	*			trans	-167.1	116.2	163.1	0	0	0	0	0	113.7
272	V	38.3	Very low	38	Very low	136 Å²	136	118.6 Å²	118.6	82%	0.824	79%	0.786	S	S	*	*			trans	16.9	113.6	134.6	-170.8	0	0	0	0	116.6
273	A	37.4	Very low	38.8	Very low	85 Å²	85	119.8 Å²	119.8	70%	0.702	79%	0.789	S	S	*	*			cis	76.6	156.8	42.9	0	0	0	0	0	115.1
274	P	43.3	Very low	39.6	Very low	124 Å²	124	118.8 Å²	118.8	81%	0.805	78%	0.779	S	S	*	*			cis	-135.9	-135.5	-39.6	39.1	-19.6	0	0	0	111.1
275	A	37	Very low	39.9	Very low	89 Å²	89	121.5 Å²	121.5	74%	0.736	78%	0.78	S	S	*	*			trans	88.7	132.3	161.2	0	0	0	0	0	117.7
276	I	41.2	Very low	40.4	Very low	148 Å²	148	123.6 Å²	123.6	76%	0.759	79%	0.787	S	S	*	*			cis	-154.2	137.1	-17.1	-29.7	172.9	0	0	0	106.1
277	L	42.2	Very low	40.7	Very low	156 Å²	156	123.1 Å²	123.1	82%	0.817	79%	0.785	S	S	*	*				171.7	142.5	85.9	-93.9	171.4	0	0	0	110.7
278	P	43.1	Very low	40.9	Very low	115 Å²	115	124.3 Å²	124.3	75%	0.747	79%	0.79	S	S	*	*			trans	-113	172.3	172.6	40.1	-31.9	0	0	0	114.9
279	P	53	Low	40.9	Very low	121 Å²	121	123.2 Å²	123.2	79%	0.786	79%	0.785	S	S	*	*			trans	-112.8	170.1	-170.3	41.8	-34.9	0	0	0	116.3
280	P	50.8	Low	41.5	Very low	123 Å²	123	121.2 Å²	121.2	80%	0.799	78%	0.78	S	S	*	*			trans	-111.7	175	155.6	39.1	-29.7	0	0	0	112
281	A	41.7	Very low	41.6	Very low	94 Å²	94	121.9 Å²	121.9	78%	0.777	78%	0.78	S	S	*	*			cis	165.4	123.7	-34.3	0	0	0	0	0	107.8
282	A	40.1	Very low	41.6	Very low	106 Å²	106	128.5 Å²	128.5	88%	0.876	79%	0.786	S	S	*	*			trans	38.1	118.7	158.1	0	0	0	0	0	123.1
283	A	46.1	Very low	41.5	Very low	101 Å²	101	125.7 Å²	125.7	84%	0.835	78%	0.784	S	S	*	*			trans	-161.4	155.1	139.9	0	0	0	0	0	111.3
284	P	42.7	Very low	41.4	Very low	101 Å²	101	126.1 Å²	126.1	66%	0.656	79%	0.788	S	S	*	*			trans	-131.6	162.3	-164	43.1	-28.3	0	0	0	118.3
285	F	39.9	Very low	41.3	Very low	199 Å²	199	128.9 Å²	128.9	87%	0.873	79%	0.79	S	S	*	*			trans	65.9	168.8	161.8	-65.6	-54.6	0	0	0	116.8
286	P	40.6	Very low	41.4	Very low	123 Å²	123	129.8 Å²	129.8	80%	0.799	79%	0.788	S	S	*	*			cis	-130.3	-163.7	12.3	44.6	-27.3	0	0	0	116.7
287	Q	37.6	Very low	41.4	Very low	175 Å²	175	133.1 Å²	133.1	82%	0.818	79%	0.793	S	S	*	*			trans	-79	156.2	-170.6	-54.7	163.9	-93.8	0	0	115
288	V	41.7	Very low	41.9	Very low	138 Å²	138	131.4 Å²	131.4	84%	0.836	79%	0.791	S	S	*	*			trans	-138.8	145.9	150.5	-176.9	0	0	0	0	109
289	S	32.5	Very low	41.9	Very low	98 Å²	98	131.4 Å²	131.4	69%	0.685	79%	0.791	S	S	*	*			trans	-153.4	135.8	171.5	-57.8	0	0	0	0	111.7
290	P	47.4	Very low	41.1	Very low	115 Å²	115	130.9 Å²	130.9	75%	0.747	79%	0.79	S	S	*	*			trans	-114.8	137.9	142	0	21.2	0	0	0	109.8
291	V	39.3	Very low	40.5	Very low	116 Å²	116	134.2 Å²	134.2	70%	0.703	80%	0.795	S	S	*	*			cis	85.6	101	44.4	174.6	0	0	0	0	112.4
292	Y	38	Very low	40.3	Very low	236 Å²	236	136 Å²	136	93%	0.925	80%	0.797	S	S	*	*			trans	74.6	133	157.9	-75.6	-125.6	0	0	0	119.1
293	G	36.3	Very low	40.3	Very low	77 Å²	77	136.9 Å²	136.9	79%	0.794	79%	0.794	S	S	*	*			trans	172.2	44.2	-178.7	0	0	0	0	0	113.8
294	A	36	Very low	39.7	Very low	93 Å²	93	139.8 Å²	139.8	77%	0.769	79%	0.792	S	S	*	*			trans	-82.3	132.7	-178.5	0	0	0	0	0	112.3
295	Q	40.7	Very low	39.6	Very low	182 Å²	182	138.6 Å²	138.6	85%	0.85	80%	0.798	S	S	*	*			trans	-136.5	150.1	165.8	-80.9	-61.1	-75.7	0	0	111.1
296	P	39.3	Very low	39.4	Very low	108 Å²	108	138.5 Å²	138.5	70%	0.701	79%	0.793	S	S	*	*			trans	-100	167.8	-162.9	2.5	20.5	0	0	0	114.3
297	Y	40	Very low	39.4	Very low	218 Å²	218	144 Å²	144	86%	0.855	80%	0.8	S	S	*	*			trans	-57.9	147.4	166.3	-67.9	-98.8	0	0	0	112.8	P299	Y297-P299 VanDerWaalsContact O-CD 3.22Å; Y297-P299 WeakPolarHBondContact O-CD 3.47Å
298	P	53.9	Low	39.4	Very low	121 Å²	121	139.1 Å²	139.1	79%	0.786	80%	0.796	S	S	*	*			trans	-95.8	105.2	156.5	33.4	-27.7	0	0	0	111.7
299	P	41.6	Very low	39.3	Very low	114 Å²	114	142 Å²	142	74%	0.74	80%	0.803	S	S	*	*			trans	-97.1	82.9	166.8	35.3	-31.3	0	0	0	110.5	Y297 Q301	Y297-P299 VanDerWaalsContact O-CD 3.22Å; Y297-P299 WeakPolarHBondContact O-CD 3.47Å; P299-Q301 VanDerWaalsContact C-N 3.34Å; P299-Q301 PolarHBondContact O-N 2.79Å
300	S	37.5	Very low	39.6	Very low	111 Å²	111	140.9 Å²	140.9	78%	0.776	81%	0.807	S	S	*	*			trans	-78.1	76.2	-179.5	61.4	0	0	0	0	112.8
301	Q	36.8	Very low	39.2	Very low	192 Å²	192	141.2 Å²	141.2	90%	0.897	81%	0.809	S	S	*	*			trans	-82.3	115.4	156.1	-70.5	-173.8	3.2	0	0	108.7	P299	P299-Q301 VanDerWaalsContact C-N 3.34Å; P299-Q301 PolarHBondContact O-N 2.79Å
302	T	38.8	Very low	39.2	Very low	132 Å²	132	144.2 Å²	144.2	81%	0.81	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-88.3	144.7	171.8	39.9	0	0	0	0	111.1
303	P	40.3	Very low	39.5	Very low	125 Å²	125	140.5 Å²	140.5	81%	0.812	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-86.9	168.2	-168.7	-8.9	28.7	0	0	0	114.4	G305	P303-G305 PolarHBondContact O-N 3.4Å
304	M	33.6	Very low	39.8	Very low	161 Å²	161	142 Å²	142	79%	0.793	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-53.2	129	171.5	-70.4	-98.9	-79.2	0	0	113.3	Y306	M304-Y306 HydrophobicContact CE-CD2 3.99Å; M304-Y306 HydrophobicContact CE-CE2 4.06Å
305	G	38.7	Very low	39.9	Very low	77 Å²	77	143.6 Å²	143.6	79%	0.794	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-99.1	128.1	160.4	0	0	0	0	0	110.3	P303	P303-G305 PolarHBondContact O-N 3.4Å
306	Y	37	Very low	39.9	Very low	196 Å²	196	139.5 Å²	139.5	77%	0.769	81%	0.814	S	S	*	*			trans	-119.3	89.2	-162.8	-151.7	-82.6	0	0	0	113.1	M304	M304-Y306 HydrophobicContact CE-CD2 3.99Å; M304-Y306 HydrophobicContact CE-CE2 4.06Å
307	Y	41.2	Very low	39.7	Very low	240 Å²	240	140.8 Å²	140.8	94%	0.941	82%	0.823	S	S	*	*			trans	-149.1	147.5	165.6	-71.1	-79.1	0	0	0	108.5
308	G	37.8	Very low	39.7	Very low	71 Å²	71	134.6 Å²	134.6	73%	0.732	82%	0.818	S	S	*	*			cis	172.9	112.9	-6	0	0	0	0	0	111.1
309	M	38.6	Very low	39.2	Very low	198 Å²	198	135.4 Å²	135.4	98%	0.975	82%	0.82	S	S	*	*			trans	7.8	132.9	167.3	-60.7	-62	-174.4	0	0	121
310	G	39	Very low	39.1	Very low	76 Å²	76	135.4 Å²	135.4	78%	0.784	82%	0.82	S	S	*	*			trans	148.2	101.5	145.2	0	0	0	0	0	117.9
311	P	39.6	Very low	39	Very low	121 Å²	121	135.1 Å²	135.1	79%	0.786	82%	0.824	S	S	*	*			trans	-110	121.3	167.4	34.7	-23.7	0	0	0	112.2
312	L	38.6	Very low	39.1	Very low	179 Å²	179	129.7 Å²	129.7	94%	0.937	82%	0.82	S	S	*	*			trans	-139.9	158.4	168.4	-80.4	-178	0	0	0	113.2
313	I	44.6	Very low	39.5	Very low	158 Å²	158	130 Å²	130	81%	0.81	82%	0.822	S	S	*	*			trans	-108.6	-174.4	-157.4	-23.4	177.9	0	0	0	110.6
314	P	43.4	Very low	39.5	Very low	110 Å²	110	129.7 Å²	129.7	71%	0.714	82%	0.82	S	S	*	*				-107.1	-176.6	-104.8	41.3	-27.7	0	0	0	114.9
315	S	38.1	Very low	39.7	Very low	126 Å²	126	131.8 Å²	131.8	88%	0.881	83%	0.825	S	S	*	*			trans	-114.5	147.8	153.5	-77.2	0	0	0	0	110.6
316	A	39.9	Very low	39.7	Very low	96 Å²	96	132.1 Å²	132.1	79%	0.793	82%	0.82	S	S	*	*			trans	-131	153.7	-175.8	0	0	0	0	0	112.1
317	C	35.5	Very low	39.8	Very low	134 Å²	134	128.7 Å²	128.7	91%	0.905	83%	0.825	S	S	*	*			trans	-128.8	138.2	164.3	-74.1	0	0	0	0	109.6
318	A	38.6	Very low	39.8	Very low	89 Å²	89	122.6 Å²	122.6	74%	0.736	82%	0.815	S	S	*	*			trans	-78.6	-177.5	169.4	0	0	0	0	0	109.8
319	V	44.3	Very low	39.9	Very low	138 Å²	138	130.6 Å²	130.6	84%	0.836	82%	0.824	S	S	*	*			cis	-153.5	178.5	35.7	-116.5	0	0	0	0	110.1
320	P	40.3	Very low	39.9	Very low	113 Å²	113	126.4 Å²	126.4	73%	0.734	81%	0.812	S	S	*	*			trans	-129	172.5	-130.3	43.8	-27.9	0	0	0	118.3
321	A	34.3	Very low	40	Very low	105 Å²	105	126.6 Å²	126.6	87%	0.868	82%	0.815	S	S	*	*			trans	54.5	119.1	144.5	0	0	0	0	0	121.7
322	G	39.6	Very low	39.8	Very low	79 Å²	79	130.6 Å²	130.6	81%	0.814	82%	0.815	S	S	*	*			trans	-147	115.4	163.4	0	0	0	0	0	111.5
323	T	46.4	Very low	39.6	Very low	139 Å²	139	134.1 Å²	134.1	85%	0.853	82%	0.816	S	S	*	*			trans	-51.7	150.7	-169.2	47.3	0	0	0	0	118.7
324	P	39.9	Very low	39.1	Very low	117 Å²	117	134.9 Å²	134.9	76%	0.76	82%	0.817	S	S	*	*			trans	-101.5	154.9	177.5	39.1	-34.5	0	0	0	115.7
325	F	39.2	Very low	39.2	Very low	205 Å²	205	133.5 Å²	133.5	90%	0.899	81%	0.807	S	S	*	*			trans	-141.7	129.3	155.5	-93.5	-101.4	0	0	0	106.6
326	A	38.6	Very low	39.3	Very low	84 Å²	84	134.5 Å²	134.5	69%	0.694	80%	0.803	S	S	*	*			cis	97.3	100.4	35.8	0	0	0	0	0	113.5
327	S	39.2	Very low	39.3	Very low	124 Å²	124	135.7 Å²	135.7	87%	0.867	80%	0.795	S	S	*	*			trans	-167.1	114.5	158	-82.5	0	0	0	0	111.1
328	P	40.8	Very low	39.5	Very low	113 Å²	113	136.1 Å²	136.1	73%	0.734	79%	0.787	S	S	*	*			trans	-109.5	155.6	177.1	38.3	-30.8	0	0	0	113.4
329	Y	39.7	Very low	39.6	Very low	238 Å²	238	136.8 Å²	136.8	93%	0.933	78%	0.783	S	S	*	*			trans	-145.3	112.1	159.9	-98.8	-77.5	0	0	0	111
330	P	39.1	Very low	39.4	Very low	110 Å²	110	136.1 Å²	136.1	71%	0.714	78%	0.779	S	S	*	*			trans	-98.7	151.8	173.9	36.3	-31.5	0	0	0	112.5
331	G	39.6	Very low	39.1	Very low	81 Å²	81	135.4 Å²	135.4	84%	0.835	78%	0.783	S	S	*	*			trans	-150.8	102.7	173.2	0	0	0	0	0	111.5
332	Y	36.4	Very low	39.2	Very low	205 Å²	205	133.9 Å²	133.9	80%	0.804	78%	0.778	S	S	*	*			trans	-77	148.7	178.6	-83.9	-112.8	0	0	0	112
333	W	33.9	Very low	39.2	Very low	253 Å²	253	138 Å²	138	96%	0.958	78%	0.779	S	S	*	*			trans	-160.2	112.7	132.3	-86.7	115.1	0	0	0	112.1
334	Q	34.7	Very low	38.6	Very low	174 Å²	174	140.7 Å²	140.7	81%	0.813	78%	0.782	S	S	*	*			trans	-157.3	174	165	-84.2	-159.8	-6.2	0	0	105.8
335	P	45.1	Very low	38.5	Very low	80 Å²	80	140.9 Å²	140.9	52%	0.519	79%	0.786	S	S	.	*			cis	-130.9	-172.5	1.1	43.5	-28.3	0	0	0	114	I337	P335-I337 HydrophobicContact CB-CD1 4.12Å; P335-I337 HydrophobicContact CB-CG1 4.29Å; P335-I337 HydrophobicContact CG-CD1 3.69Å; P335-I337 HydrophobicContact CG-CG1 4.32Å
336	N	39.5	Very low	38.5	Very low	147 Å²	147	139 Å²	139	79%	0.786	79%	0.785	S	S	*	*				-165.6	135.7	119.9	-91.3	-25.8	0	0	0	109.3
337	I	40.9	Very low	38.2	Very low	122 Å²	122	146.4 Å²	146.4	63%	0.626	80%	0.795	S	S	*	*			cis	79.4	124.6	34.1	-62.7	179.8	0	0	0	111.4	P335	P335-I337 HydrophobicContact CB-CD1 4.12Å; P335-I337 HydrophobicContact CB-CG1 4.29Å; P335-I337 HydrophobicContact CG-CD1 3.69Å; P335-I337 HydrophobicContact CG-CG1 4.32Å
338	I	40.4	Very low	38.2	Very low	143 Å²	143	146 Å²	146	73%	0.733	79%	0.789	S	S	*	*			cis	-174.2	-174.7	-7	-151.1	163	0	0	0	108.4
339	P	39.3	Very low	38.1	Very low	103 Å²	103	149.6 Å²	149.6	67%	0.669	80%	0.796	S	S	*	*				-83.7	-115.4	-57.2	13.8	9.3	0	0	0	108.8
340	T	39.8	Very low	37.9	Very low	123 Å²	123	143 Å²	143	76%	0.755	79%	0.791	S	S	*	*			cis	-163.3	160.5	-18	-1	0	0	0	0	105.3
341	A	35.8	Very low	37.8	Very low	99 Å²	99	143 Å²	143	82%	0.818	79%	0.794	S	S	*	*			cis	-157.9	168.2	-8.5	0	0	0	0	0	108.2
342	G	35.8	Very low	37.8	Very low	72 Å²	72	145.7 Å²	145.7	74%	0.742	79%	0.794	S	S	*	*			trans	164.8	113.5	166.5	0	0	0	0	0	116.6
343	I	40	Very low	37.6	Very low	166 Å²	166	139.4 Å²	139.4	85%	0.851	79%	0.791	S	S	*	*			trans	46.5	109.1	155.4	-52	-179.5	0	0	0	118.6
344	Q	34	Very low	37.5	Very low	196 Å²	196	135.8 Å²	135.8	92%	0.916	78%	0.783	S	S	*	*			trans	-1.5	124.8	154.6	-56.8	176.8	10.3	0	0	118.4
345	S	37	Very low	37.4	Very low	121 Å²	121	133.3 Å²	133.3	85%	0.846	78%	0.78	S	S	*	*			trans	-115.7	143.5	169.3	-176.8	0	0	0	0	111.4
346	L	39	Very low	36.8	Very low	165 Å²	165	133.9 Å²	133.9	86%	0.864	78%	0.783	S	S	*	*			trans	-79	136.9	178.1	-81.3	155.4	0	0	0	111.3	P348	L346-P348 VanDerWaalsContact O-CD 3.27Å; L346-P348 WeakPolarHBondContact O-CD 3.44Å
347	R	33	Very low	37	Very low	240 Å²	240	132.2 Å²	132.2	91%	0.906	78%	0.78	S	S	*	*			trans	-68	115.1	-175.7	-178	-176.8	-171.4	171.3	2.6	111.9
348	P	37.7	Very low	37.5	Very low	115 Å²	115	132.3 Å²	132.3	75%	0.747	79%	0.792	S	S	*	*			trans	-68	143.7	170.3	-16.8	32.4	0	0	0	110.9	L346	L346-P348 VanDerWaalsContact O-CD 3.27Å; L346-P348 WeakPolarHBondContact O-CD 3.44Å
349	Q	38.7	Very low	38.5	Very low	188 Å²	188	133.4 Å²	133.4	88%	0.879	79%	0.794	S	S	*	*			trans	-68.1	152.2	164.5	-80.7	177.1	-60.1	0	0	110.4	S351	Q349-S351 PolarHBondContact O-N 3.14Å
350	A	37	Very low	40	Very low	101 Å²	101	131 Å²	131	84%	0.835	78%	0.775	S	S	*	*			trans	-69.9	98.4	171.3	0	0	0	0	0	109.8	T352	A350-T352 PolarHBondContact O-N 2.61Å
351	S	36.5	Very low	41.9	Very low	110 Å²	110	129.8 Å²	129.8	77%	0.769	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-67.7	120.5	171	55.3	0	0	0	0	109.9	Q349 G353	Q349-S351 PolarHBondContact O-N 3.14Å; S351-G353 PolarHBondContact O-N 3.4Å
352	T	38.7	Very low	44.1	Very low	137 Å²	137	126.7 Å²	126.7	84%	0.84	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-57	119.8	172	47.2	0	0	0	0	110.2	A350 F354	A350-T352 PolarHBondContact O-N 2.61Å; T352-F354 PolarHBondContact O-N 3.29Å
353	G	32.3	Very low	46.2	Very low	72 Å²	72	126.7 Å²	126.7	74%	0.742	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-64.9	121.5	-179.1	0	0	0	0	0	111.8	S351 T355	S351-G353 PolarHBondContact O-N 3.4Å; G353-T355 PolarHBondContact O-N 3.1Å
354	F	32.5	Very low	48	Very low	178 Å²	178	124.3 Å²	124.3	78%	0.781	71%	0.71	S	S	*	*			trans	-75.7	102.5	174.2	-177.1	-92.8	0	0	0	110	T352 P356	T352-F354 PolarHBondContact O-N 3.29Å; F354-P356 HydrophobicContact CE1-CB 4.29Å; F354-P356 WeakPolarHBondContact O-CD 3.43Å
355	T	32.7	Very low	49.8	Very low	122 Å²	122	116.6 Å²	116.6	75%	0.748	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-76.6	116.7	165.9	49.7	0	0	0	0	108.9	G353	G353-T355 PolarHBondContact O-N 3.1Å
356	P	33	Very low	51.3	Low	92 Å²	92	114.4 Å²	114.4	60%	0.597	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-63.8	146.5	174.6	28	-34.3	0	0	0	110.2	F354 S358	F354-P356 HydrophobicContact CE1-CB 4.29Å; F354-P356 WeakPolarHBondContact O-CD 3.43Å; P356-S358 PolarHBondContact O-N 3.36Å
357	P	42	Very low	52.7	Low	111 Å²	111	112.3 Å²	112.3	72%	0.721	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-62.2	124.8	-179.6	25	-33.5	0	0	0	110.8	Q359	P357-Q359 VanDerWaalsContact C-N 3.25Å; P357-Q359 PolarHBondContact O-N 2.93Å
358	S	51.5	Low	54.4	Low	124 Å²	124	105.5 Å²	105.5	87%	0.867	65%	0.645	S	S	*	*	S	Bend	trans	-73.1	-8.1	-164.3	-43.1	0	0	0	0	115.7	P356	P356-S358 PolarHBondContact O-N 3.36Å
359	Q	62.5	Low	56	Low	166 Å²	166	105.7 Å²	105.7	78%	0.776	64%	0.644	S	S	*	*	S	Bend	trans	-143.4	142	179.9	-70	-176.6	-22.8	0	0	110	P357	P357-Q359 VanDerWaalsContact C-N 3.25Å; P357-Q359 PolarHBondContact O-N 2.93Å
360	I	70.2	Confident	58	Low	53 Å²	53	98.7 Å²	98.7	27%	0.272	61%	0.611	S	S	.	*			trans	-81.7	129.6	171.5	-63.1	-179.3	0	0	0	108.3	I362 L535 N536 F537 L595	I360-I362 HydrophobicContact CG2-CG1 4.47Å; I360-L535 WeakPolarHBondContact CD1-O 3.32Å; I360-N536 HydrophobicContact CD1-CB 4.18Å; I360-N536 WeakPolarHBondContact CD1-O 3.44Å; I360-F537 HydrophobicContact CD1-CD2 3.75Å; I360-F537 HydrophobicContact CD1-CE2 4.18Å; I360-F537 HydrophobicContact CG2-CD2 4.43Å; I360-F537 HydrophobicContact CG2-CE2 3.85Å; I360-L595 HydrophobicContact CG2-CD1 4.06Å; I360-L595 HydrophobicContact CG2-CD2 3.59Å; I360-L595 HydrophobicContact CG2-CG 4.45Å
361	I	80.7	Confident	60.1	Low	98 Å²	98	98.6 Å²	98.6	50%	0.503	59%	0.593	S	S	.	*			trans	-107.1	107.1	171.3	-55.4	169.9	0	0	0	107.9	L363 S596	I361-L363 HydrophobicContact CG2-CD2 4.34Å; I361-S596 PolarHBondContact O-N 3.39Å
362	I	81.5	Confident	62.4	Low	33 Å²	33	97 Å²	97	17%	0.169	58%	0.578	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-71.3	128.2	166.6	-55.6	176.8	0	0	0	107.4	I360 F537 D541 R544 V545 V593 L595	I360-I362 HydrophobicContact CG2-CG1 4.47Å; I362-F537 HydrophobicContact CD1-CE1 3.9Å; I362-F537 HydrophobicContact CD1-CZ 3.69Å; I362-F537 HydrophobicContact CG1-CZ 3.87Å; I362-D541 HydrophobicContact CD1-CB 4.14Å; I362-R544 HydrophobicContact CD1-CB 4.4Å; I362-V545 HydrophobicContact CD1-CG2 4.05Å; I362-V593 HydrophobicContact CG2-CG1 4.45Å; I362-L595 HydrophobicContact CB-CD2 4.39Å; I362-L595 HydrophobicContact CG1-CD2 3.93Å
363	L	80.7	Confident	64.6	Low	72 Å²	72	93.2 Å²	93.2	38%	0.377	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.6	144.1	174.8	-59.5	176.4	0	0	0	109.4	I361 T365 H594	I361-L363 HydrophobicContact CG2-CD2 4.34Å; L363-T365 PolarHBondContact O-N 2.94Å; L363-H594 HydrophobicContact CB-CB 3.98Å; L363-H594 PolarHBondContact N-O 3.28Å
364	P	76.8	Confident	66.9	Low	117 Å²	117	95.3 Å²	95.3	76%	0.76	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-50.3	131.2	173.5	-27.2	35	0	0	0	111.1
365	T	71	Confident	69.3	Low	33 Å²	33	88.7 Å²	88.7	20%	0.202	54%	0.539	C	S	.	.	P	Polyproline II helix	trans	-69.4	129.2	177.1	-44.3	0	0	0	0	109.1	L363 R591 P592	L363-T365 PolarHBondContact O-N 2.94Å; T365-R591 VanDerWaalsContact CB-NH2 3.29Å; T365-R591 HydrophobicContact CG2-CG 4.44Å; T365-R591 PolarHBondContact OG1-NE 3.38Å; T365-R591 PolarHBondContact OG1-NH2 2.93Å; T365-P592 HydrophobicContact CG2-CG 4.15Å
366	P	68.6	Low	71.7	Confident	76 Å²	76	84.5 Å²	84.5	49%	0.494	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-58.1	151.2	171.2	-23.4	34.2	0	0	0	111.4
367	P	68.4	Low	74.3	Confident	120 Å²	120	80.2 Å²	80.2	78%	0.779	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-54.4	147	171.9	-25.4	34.8	0	0	0	112.3	V369	P367-V369 PolarHBondContact O-N 2.96Å; P367-V369 VanDerWaalsContact O-N 3.09Å
368	S	70.5	Confident	76.5	Confident	97 Å²	97	75 Å²	75	68%	0.678	46%	0.459	S	S	*	.			trans	-61	110.6	-179.2	-63.5	0	0	0	0	112	H370	S368-H370 WeakPolarHBondContact CB-NE2 3.1Å; S368-H370 PolarHBondContact O-CD2 2.9Å; S368-H370 VanDerWaalsContact O-CD2 3.29Å; S368-H370 PolarHBondContact O-N 2.82Å
369	V	70.6	Confident	78.2	Confident	120 Å²	120	72.2 Å²	72.2	73%	0.727	43%	0.433	S	S	*	.			trans	-86.9	93.7	173.5	-177	0	0	0	0	109	P367 Q371	P367-V369 PolarHBondContact O-N 2.96Å; P367-V369 VanDerWaalsContact O-N 3.09Å; V369-Q371 PolarHBondContact O-N 3.46Å; V369-Q371 VanDerWaalsContact O-N 3.11Å
370	H	81.5	Confident	79.1	Confident	41 Å²	41	64.5 Å²	64.5	19%	0.19	40%	0.398	C	S	.	.			trans	-76.3	97.6	175.8	-51	-91.4	0	0	0	109.8	S368 D421 P497	S368-H370 WeakPolarHBondContact CB-NE2 3.1Å; S368-H370 PolarHBondContact O-CD2 2.9Å; S368-H370 VanDerWaalsContact O-CD2 3.29Å; S368-H370 PolarHBondContact O-N 2.82Å; H370-D421 IonicContact CE1-OD2 3.74Å; H370-D421 PolarHBondContact CE1-OD2 3.09Å; H370-D421 VanDerWaalsContact CE1-OD2 3.23Å; H370-D421 IonicContact ND1-OD2 3.74Å; H370-D421 PolarHBondContact ND1-OD2 3.46Å; H370-P497 VanDerWaalsContact CB-CD 3.43Å; H370-P497 HydrophobicContact CB-CG 4.16Å
371	Q	80.9	Confident	79.5	Confident	98 Å²	98	63.6 Å²	63.6	46%	0.458	39%	0.393	S	S	.	.			trans	-63	148	174.9	-67	-179.8	-23.3	0	0	111.2	V369 G378 I379 S382	V369-Q371 PolarHBondContact O-N 3.46Å; V369-Q371 VanDerWaalsContact O-N 3.11Å; Q371-G378 CarbonylContact O-C 3.49Å; Q371-G378 VanDerWaalsContact O-CA 3.32Å; Q371-G378 WeakPolarHBondContact O-CA 3.14Å; Q371-I379 HydrophobicContact CB-CB 4.41Å; Q371-I379 HydrophobicContact CB-CD1 4.41Å; Q371-I379 PolarHBondContact O-N 3.03Å; Q371-S382 PolarHBondContact OE1-OG 3.37Å
372	V	84.3	Confident	78.2	Confident	77 Å²	77	62 Å²	62	47%	0.467	39%	0.391	S	S	.	.	B	Isolated β-bridge	trans	-126.3	155.2	176.5	-66.6	0	0	0	0	111.5	I377 P497	V372-I377 CarbonylContact C-O 3.58Å; V372-I377 VanDerWaalsContact CA-O 3.24Å; V372-I377 WeakPolarHBondContact CA-O 3.44Å; V372-P497 HydrophobicContact CG1-CB 4.38Å; V372-P497 HydrophobicContact CG1-CG 3.57Å
373	N	83.8	Confident	76.8	Confident	58 Å²	58	61.6 Å²	61.6	31%	0.31	39%	0.389	S	S	.	.			trans	-80.9	178.4	166.7	75.8	7.8	0	0	0	111.2	S375 G376 I377	N373-S375 PolarHBondContact O-N 2.84Å; N373-S375 WeakPolarHBondContact OD1-CB 3.24Å; N373-S375 PolarHBondContact OD1-N 3.15Å; N373-G376 PolarHBondContact O-N 3.47Å; N373-G376 PolarHBondContact OD1-N 3.39Å; N373-I377 PolarHBondContact N-O 2.89Å; N373-I377 PolarHBondContact OD1-N 3.25Å; N373-I377 PolarHBondContact OD1-O 3.22Å
374	A	81.1	Confident	74.7	Confident	116 Å²	116	61.2 Å²	61.2	96%	0.959	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-27.1	-177.9	0	0	0	0	0	114.2	G376	A374-G376 VanDerWaalsContact C-N 3.34Å
375	S	82.9	Confident	72.7	Confident	38 Å²	38	62 Å²	62	27%	0.266	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-0.6	178.5	-57.2	0	0	0	0	113.7	N373 E487 N488	N373-S375 PolarHBondContact O-N 2.84Å; N373-S375 WeakPolarHBondContact OD1-CB 3.24Å; N373-S375 PolarHBondContact OD1-N 3.15Å; S375-E487 WeakPolarHBondContact CB-OE1 3.09Å; S375-E487 WeakPolarHBondContact O-CA 3.49Å; S375-E487 PolarHBondContact OG-OE1 3.23Å; S375-N488 PolarHBondContact O-N 2.97Å
376	G	84	Confident	71	Confident	34 Å²	34	67.8 Å²	67.8	35%	0.351	42%	0.42	S	S	.	.	S	Bend	trans	83.3	5	-177.8	0	0	0	0	0	115.2	N373 A374	N373-G376 PolarHBondContact O-N 3.47Å; N373-G376 PolarHBondContact OD1-N 3.39Å; A374-G376 VanDerWaalsContact C-N 3.34Å
377	I	87.8	Confident	69.4	Low	3 Å²	3	68.9 Å²	68.9	2%	0.015	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-72.3	132	171.5	-54.6	-66.1	0	0	0	108.5	V372 N373 E485 H486 L489 M499 N501	V372-I377 CarbonylContact C-O 3.58Å; V372-I377 VanDerWaalsContact CA-O 3.24Å; V372-I377 WeakPolarHBondContact CA-O 3.44Å; N373-I377 PolarHBondContact N-O 2.89Å; N373-I377 PolarHBondContact OD1-N 3.25Å; N373-I377 PolarHBondContact OD1-O 3.22Å; I377-E485 HydrophobicContact CD1-CB 4.06Å; I377-E485 HydrophobicContact CD1-CG 4.18Å; I377-E485 HydrophobicContact CG1-CB 3.99Å; I377-E485 HydrophobicContact CG1-CG 4.05Å; I377-E485 HydrophobicContact CG2-CG 4.15Å; I377-H486 VanDerWaalsContact CD1-O 3.3Å; I377-H486 WeakPolarHBondContact CD1-O 3.21Å; I377-L489 HydrophobicContact CD1-CD1 3.98Å; I377-M499 HydrophobicContact CD1-CB 4.11Å; I377-M499 HydrophobicContact CD1-CG 4.24Å; I377-M499 HydrophobicContact CD1-SD 4.05Å; I377-M499 HydrophobicContact CG2-CG 4.37Å; I377-N501 HydrophobicContact CG2-CB 4.46Å
378	G	87.3	Confident	67.5	Low	1 Å²	1	69.5 Å²	69.5	1%	0.01	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	146.1	177	0	0	0	0	0	112.8	Q371 M499 K500 N501	Q371-G378 CarbonylContact O-C 3.49Å; Q371-G378 VanDerWaalsContact O-CA 3.32Å; Q371-G378 WeakPolarHBondContact O-CA 3.14Å; G378-M499 PolarHBondContact N-O 2.92Å; G378-K500 CarbonylContact O-C 3.45Å; G378-K500 VanDerWaalsContact O-CA 3.23Å; G378-K500 WeakPolarHBondContact O-CA 3.4Å; G378-N501 PolarHBondContact O-N 2.94Å
379	I	86.6	Confident	65.8	Low	66 Å²	66	66.6 Å²	66.6	34%	0.338	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	152.6	171.5	-59.4	170	0	0	0	108	Q371 K500	Q371-I379 HydrophobicContact CB-CB 4.41Å; Q371-I379 HydrophobicContact CB-CD1 4.41Å; Q371-I379 PolarHBondContact O-N 3.03Å; I379-K500 WeakPolarHBondContact O-CD 3.27Å; I379-K500 WeakPolarHBondContact O-CE 3.45Å; I379-K500 PolarHBondContact O-NZ 2.81Å
380	G	82.4	Confident	64	Low	4 Å²	4	65.9 Å²	65.9	4%	0.041	41%	0.406	C	S	.	.	S	Bend	trans	-58.2	-168.7	169.8	0	0	0	0	0	114.2	S382 N501	G380-S382 PolarHBondContact O-N 2.95Å; G380-N501 PolarHBondContact N-O 3Å
381	H	77.9	Confident	61.9	Low	34 Å²	34	68.5 Å²	68.5	16%	0.157	43%	0.427	C	S	.	.			trans	-64.3	119.2	-171.7	-59.6	81.3	0	0	0	111.9	T383 D421 F424 Y502 D505	H381-T383 HydrophobicContact CB-CG2 3.76Å; H381-T383 PolarHBondContact O-N 3.3Å; H381-D421 IonicContact CE1-OD1 2.63Å; H381-D421 IonicContact NE2-OD1 3.84Å; H381-F424 AromaticContact CE1-CD1 3.4Å; H381-F424 WeakPolarHBondContact CE1-CD1 3.47Å; H381-F424 AromaticContact CE1-CE1 3.8Å; H381-F424 AromaticContact ND1-CD1 3.97Å; H381-F424 AromaticContact ND1-CE1 3.93Å; H381-Y502 AromaticContact CE1-CE1 3.88Å; H381-Y502 AromaticContact ND1-CE1 3.93Å; H381-D505 IonicContact CE1-OD2 3.65Å; H381-D505 IonicContact CG-OD2 2.74Å; H381-D505 PolarHBondContact N-OD2 3.49Å; H381-D505 IonicContact ND1-OD2 3.22Å; H381-D505 PolarHBondContact ND1-OD2 3.42Å
382	S	54.9	Low	59.5	Low	65 Å²	65	67.5 Å²	67.5	46%	0.455	44%	0.435	S	S	.	.			trans	-73.3	51.9	179	-47.8	0	0	0	0	113.2	Q371 G380 S384	Q371-S382 PolarHBondContact OE1-OG 3.37Å; G380-S382 PolarHBondContact O-N 2.95Å; S382-S384 PolarHBondContact O-N 2.93Å
383	T	51.2	Low	57.1	Low	23 Å²	23	65.5 Å²	65.5	14%	0.141	43%	0.427	C	S	.	.			trans	-81.2	98	-176.3	73.5	0	0	0	0	111.6	H381 P506 H603	H381-T383 HydrophobicContact CB-CG2 3.76Å; H381-T383 PolarHBondContact O-N 3.3Å; T383-P506 WeakPolarHBondContact OG1-CG 3.23Å; T383-H603 WeakPolarHBondContact CG2-CE1 3.3Å
384	S	36.9	Very low	55	Low	65 Å²	65	69.2 Å²	69.2	46%	0.455	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	38.1	98.7	160.5	64.9	0	0	0	0	118.8	S382 L386	S382-S384 PolarHBondContact O-N 2.93Å; S384-L386 VanDerWaalsContact C-N 3.26Å; S384-L386 PolarHBondContact O-N 3.25Å
385	N	33.7	Very low	52.9	Low	133 Å²	133	71 Å²	71	71%	0.711	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	-6.6	151.5	-69.8	9.7	0	0	0	121.9	S387	N385-S387 PolarHBondContact O-N 3.37Å
386	L	36.2	Very low	51	Low	155 Å²	155	73 Å²	73	81%	0.812	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-1.7	169.5	-106.3	71.5	0	0	0	113.5	S384 V388	S384-L386 VanDerWaalsContact C-N 3.26Å; S384-L386 PolarHBondContact O-N 3.25Å; L386-V388 PolarHBondContact O-N 3.12Å
387	S	34	Very low	49.5	Very low	99 Å²	99	73.2 Å²	73.2	69%	0.692	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-1.6	178.7	49.8	0	0	0	0	114.9	N385 S389	N385-S387 PolarHBondContact O-N 3.37Å; S387-S389 PolarHBondContact O-N 2.92Å
388	V	30	Very low	48.3	Very low	132 Å²	132	77.2 Å²	77.2	80%	0.8	45%	0.453	S	S	*	.			trans	-81.1	56	170.6	-164.7	0	0	0	0	110.2	L386	L386-V388 PolarHBondContact O-N 3.12Å
389	S	34.2	Very low	47.1	Very low	36 Å²	36	81.5 Å²	81.5	25%	0.252	48%	0.483	S	S	.	.			trans	-78.4	119	168.3	58.9	0	0	0	0	109.7	S387	S387-S389 PolarHBondContact O-N 2.92Å
390	T	32.1	Very low	46.9	Very low	105 Å²	105	80.9 Å²	80.9	64%	0.644	48%	0.482	S	S	*	.			trans	-54.5	145.1	174.2	-8.3	0	0	0	0	109.7	A392 A393	T390-A392 PolarHBondContact O-N 3.13Å; T390-A393 WeakPolarHBondContact O-CB 3.38Å; T390-A393 PolarHBondContact O-N 3.14Å
391	P	37.1	Very low	47.3	Very low	97 Å²	97	81.6 Å²	81.6	63%	0.63	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-33.7	-173.2	-31	37.2	0	0	0	115.2	A393 R394	P391-A393 PolarHBondContact O-N 2.95Å; P391-R394 WeakPolarHBondContact O-CB 3.41Å; P391-R394 PolarHBondContact O-N 3.36Å
392	A	31.8	Very low	47.8	Very low	76 Å²	76	82.7 Å²	82.7	63%	0.628	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-38.6	176	0	0	0	0	0	113.8	T390 R394 Q395	T390-A392 PolarHBondContact O-N 3.13Å; A392-R394 PolarHBondContact O-N 3.49Å; A392-Q395 PolarHBondContact O-N 2.9Å
393	A	32.8	Very low	49.4	Very low	36 Å²	36	82.4 Å²	82.4	30%	0.298	49%	0.491	S	S	.	.	H	α-helix	trans	-65.1	-25.7	179.8	0	0	0	0	0	112.4	T390 P391 Q395 S396 D397	T390-A393 WeakPolarHBondContact O-CB 3.38Å; T390-A393 PolarHBondContact O-N 3.14Å; P391-A393 PolarHBondContact O-N 2.95Å; A393-Q395 PolarHBondContact O-N 3.38Å; A393-S396 PolarHBondContact O-N 3.29Å; A393-S396 PolarHBondContact O-OG 2.99Å; A393-D397 WeakPolarHBondContact O-CB 3.45Å; A393-D397 PolarHBondContact O-N 3.12Å; A393-D397 VanDerWaalsContact O-N 3.1Å
394	R	39.2	Very low	51.3	Low	135 Å²	135	84.9 Å²	84.9	51%	0.509	50%	0.502	S	S	.	.	H	α-helix	trans	-69.1	-18.6	-179.7	-56	-177.8	-176.5	179.8	-1.7	113.5	P391 A392 L398	P391-R394 WeakPolarHBondContact O-CB 3.41Å; P391-R394 PolarHBondContact O-N 3.36Å; A392-R394 PolarHBondContact O-N 3.49Å; R394-L398 WeakPolarHBondContact O-CD1 3.39Å; R394-L398 WeakPolarHBondContact O-CG 3.41Å
395	Q	38.1	Very low	53.8	Low	153 Å²	153	87.9 Å²	87.9	72%	0.715	51%	0.509	S	S	*	.	H	α-helix	trans	-83	-43.4	176.9	-74	-178.2	-31.1	0	0	111.6	A392 A393 D397 L398	A392-Q395 PolarHBondContact O-N 2.9Å; A393-Q395 PolarHBondContact O-N 3.38Å; Q395-D397 PolarHBondContact O-N 3.41Å; Q395-L398 PolarHBondContact O-N 2.82Å
396	S	42	Very low	56.4	Low	80 Å²	80	82 Å²	82	56%	0.559	48%	0.48	S	S	*	.	H	α-helix	trans	-65.3	-24.6	171.3	46	0	0	0	0	113.5	A393 L398 S399	A393-S396 PolarHBondContact O-N 3.29Å; A393-S396 PolarHBondContact O-OG 2.99Å; S396-L398 VanDerWaalsContact C-N 3.3Å; S396-L398 PolarHBondContact O-N 3.16Å; S396-S399 PolarHBondContact O-OG 3.03Å
397	D	53.9	Low	59.2	Low	40 Å²	40	74.6 Å²	74.6	21%	0.214	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-19.7	178.3	-90.6	-32.2	0	0	0	114.4	A393 Q395 R511	A393-D397 WeakPolarHBondContact O-CB 3.45Å; A393-D397 PolarHBondContact O-N 3.12Å; A393-D397 VanDerWaalsContact O-N 3.1Å; Q395-D397 PolarHBondContact O-N 3.41Å; D397-R511 IonicContact OD1-CZ 2.66Å; D397-R511 IonicContact OD1-NE 2.61Å; D397-R511 IonicContact OD1-NH2 2.83Å; D397-R511 PolarHBondContact OD1-NH2 2.84Å; D397-R511 IonicContact OD2-NH2 2.63Å; D397-R511 PolarHBondContact OD2-NH2 2.87Å; D397-R511 VanDerWaalsContact OD2-NH2 3.14Å
398	L	61.8	Low	62.2	Low	87 Å²	87	69.9 Å²	69.9	46%	0.455	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-23.3	-172.3	-69.5	169.5	0	0	0	113.9	R394 Q395 S396 V400 F401 M503	R394-L398 WeakPolarHBondContact O-CD1 3.39Å; R394-L398 WeakPolarHBondContact O-CG 3.41Å; Q395-L398 PolarHBondContact O-N 2.82Å; S396-L398 VanDerWaalsContact C-N 3.3Å; S396-L398 PolarHBondContact O-N 3.16Å; L398-V400 PolarHBondContact O-N 3.26Å; L398-V400 VanDerWaalsContact O-N 3.12Å; L398-F401 PolarHBondContact O-N 3.06Å; L398-F401 VanDerWaalsContact O-N 3.14Å; L398-M503 HydrophobicContact CD2-CE 3.58Å; L398-M503 HydrophobicContact CD2-SD 4.13Å
399	S	63.3	Low	65.4	Low	91 Å²	91	63.6 Å²	63.6	64%	0.636	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-13.3	-179.4	56.2	0	0	0	0	114.2	S396 F401	S396-S399 PolarHBondContact O-OG 3.03Å; S399-F401 PolarHBondContact O-N 2.98Å
400	V	82.2	Confident	68.4	Low	52 Å²	52	62.2 Å²	62.2	32%	0.315	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	4.7	176.3	-151.8	0	0	0	0	112.7	L398 N432 R511	L398-V400 PolarHBondContact O-N 3.26Å; L398-V400 VanDerWaalsContact O-N 3.12Å; V400-N432 VanDerWaalsContact CG1-ND2 3.35Å; V400-N432 WeakPolarHBondContact CG1-ND2 3.46Å; V400-R511 HydrophobicContact CB-CG 4.5Å; V400-R511 HydrophobicContact CG1-CG 4.41Å
401	F	89.3	Confident	71.4	Confident	19 Å²	19	57.3 Å²	57.3	8%	0.083	33%	0.33	C	S	.	.	S	Bend	trans	-126.4	106.4	177.1	-60.7	-78.3	0	0	0	110.3	L398 S399 N432 A434 M503	L398-F401 PolarHBondContact O-N 3.06Å; L398-F401 VanDerWaalsContact O-N 3.14Å; S399-F401 PolarHBondContact O-N 2.98Å; F401-N432 HydrophobicContact CE1-CB 3.68Å; F401-N432 HydrophobicContact CZ-CB 4.04Å; F401-A434 HydrophobicContact CD1-CB 3.56Å; F401-A434 HydrophobicContact CE1-CB 3.91Å; F401-A434 HydrophobicContact CG-CB 4.2Å; F401-M503 HydrophobicContact CB-CE 3.81Å; F401-M503 HydrophobicContact CD2-CB 4.3Å; F401-M503 HydrophobicContact CD2-CE 3.76Å; F401-M503 HydrophobicContact CD2-CG 4.39Å; F401-M503 HydrophobicContact CE2-CB 3.88Å; F401-M503 HydrophobicContact CE2-CG 4.31Å; F401-M503 WeakPolarHBondContact CE2-O 3.23Å; F401-M503 HydrophobicContact CG-CE 3.85Å; F401-M503 HydrophobicContact CZ-CB 4.26Å
402	E	89	Confident	74.2	Confident	58 Å²	58	53.3 Å²	53.3	27%	0.271	30%	0.304	S	S	.	.			trans	-77.1	151.8	176.7	-60.8	-176.2	160.2	0	0	111.3	I404 V407 G451 P453	E402-I404 HydrophobicContact CB-CD1 4.5Å; E402-I404 HydrophobicContact CB-CG1 4.22Å; E402-I404 WeakPolarHBondContact OE2-CD1 3.23Å; E402-V407 HydrophobicContact CB-CG1 4.27Å; E402-G451 PolarHBondContact N-O 3.27Å; E402-P453 WeakPolarHBondContact OE2-CD 3.4Å
403	A	88.3	Confident	77.1	Confident	58 Å²	58	52.9 Å²	52.9	48%	0.479	29%	0.291	S	S	.	.			trans	-120.1	57.4	179.5	0	0	0	0	0	110.5	T481	A403-T481 WeakPolarHBondContact CA-O 3.2Å
404	I	91.3	Very high	80	Confident	75 Å²	75	51.7 Å²	51.7	39%	0.385	28%	0.28	S	S	.	.	S	Bend	trans	-122.4	171.7	-177.1	64.4	177.1	0	0	0	111.1	E402 V407 P453	E402-I404 HydrophobicContact CB-CD1 4.5Å; E402-I404 HydrophobicContact CB-CG1 4.22Å; E402-I404 WeakPolarHBondContact OE2-CD1 3.23Å; I404-V407 HydrophobicContact CG1-CG1 3.68Å; I404-V407 VanDerWaalsContact O-CG2 3.22Å; I404-V407 WeakPolarHBondContact O-CG2 3.34Å; I404-P453 HydrophobicContact CD1-CG 4.07Å
405	E	89.8	Confident	82.6	Confident	129 Å²	129	45.7 Å²	45.7	60%	0.603	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	146.6	177.8	-171.4	163.9	-163.6	0	0	111.2	V407	E405-V407 VanDerWaalsContact C-N 3.33Å; E405-V407 PolarHBondContact O-N 2.92Å
406	G	88.7	Confident	85	Confident	9 Å²	9	47.2 Å²	47.2	9%	0.093	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	-16.6	-177.1	0	0	0	0	0	115.5	V408	G406-V408 VanDerWaalsContact C-N 3.26Å; G406-V408 PolarHBondContact O-N 2.6Å
407	V	94.7	Very high	87.3	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.259	C	S	.	.	S	Bend	trans	-74	-16.4	175	-48	0	0	0	0	113.2	E402 I404 E405 Q449 V450 T481	E402-V407 HydrophobicContact CB-CG1 4.27Å; I404-V407 HydrophobicContact CG1-CG1 3.68Å; I404-V407 VanDerWaalsContact O-CG2 3.22Å; I404-V407 WeakPolarHBondContact O-CG2 3.34Å; E405-V407 VanDerWaalsContact C-N 3.33Å; E405-V407 PolarHBondContact O-N 2.92Å; V407-Q449 HydrophobicContact CG2-CG 4.29Å; V407-Q449 CarbonylContact O-C 3.58Å; V407-Q449 WeakPolarHBondContact O-CA 3.37Å; V407-V450 VanDerWaalsContact O-CG2 3.28Å; V407-V450 WeakPolarHBondContact O-CG2 3.17Å; V407-V450 PolarHBondContact O-N 3.03Å; V407-T481 WeakPolarHBondContact CG2-O 3.42Å
408	V	96.8	Very high	89.2	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	127.3	172.3	-176.8	0	0	0	0	110	G406 M447 V448 Q449 S478 I480 L483	G406-V408 VanDerWaalsContact C-N 3.26Å; G406-V408 PolarHBondContact O-N 2.6Å; V408-M447 HydrophobicContact CG1-CB 4.41Å; V408-V448 CarbonylContact C-O 3.55Å; V408-V448 VanDerWaalsContact CA-O 3.3Å; V408-V448 WeakPolarHBondContact CA-O 3.32Å; V408-Q449 HydrophobicContact CG2-CB 4.17Å; V408-Q449 HydrophobicContact CG2-CG 4.09Å; V408-S478 VanDerWaalsContact O-CB 3.29Å; V408-S478 WeakPolarHBondContact O-CB 3.49Å; V408-S478 PolarHBondContact O-N 2.89Å; V408-I480 HydrophobicContact CB-CB 4.27Å; V408-I480 VanDerWaalsContact CB-O 3.25Å; V408-I480 WeakPolarHBondContact CB-O 3.37Å; V408-I480 HydrophobicContact CG1-CB 4.3Å; V408-I480 HydrophobicContact CG2-CB 4.34Å; V408-I480 HydrophobicContact CG2-CG2 4.15Å; V408-I480 WeakPolarHBondContact CG2-O 3.17Å; V408-L483 HydrophobicContact CG1-CD1 4.44Å; V408-L483 HydrophobicContact CG1-CD2 3.86Å; V408-L483 HydrophobicContact CG1-CG 4.1Å; V408-L483 HydrophobicContact CG2-CG 4.22Å
409	L	96.9	Very high	90.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	137.4	171.3	-56.6	178.5	0	0	0	110.2	M447 V448 I459 F475 H476 H477	L409-M447 WeakPolarHBondContact O-CA 3.18Å; L409-V448 HydrophobicContact CB-CB 4.47Å; L409-V448 PolarHBondContact N-O 3.31Å; L409-V448 PolarHBondContact O-N 3.16Å; L409-I459 HydrophobicContact CD1-CB 3.78Å; L409-I459 HydrophobicContact CD1-CD1 4.08Å; L409-I459 HydrophobicContact CD1-CG2 3.5Å; L409-F475 HydrophobicContact CB-CD1 4.27Å; L409-F475 HydrophobicContact CD1-CB 4.2Å; L409-F475 HydrophobicContact CD1-CD1 3.94Å; L409-F475 HydrophobicContact CD1-CG 4.39Å; L409-H476 CarbonylContact C-O 3.56Å; L409-H476 VanDerWaalsContact CA-O 3.29Å; L409-H476 WeakPolarHBondContact CA-O 3.45Å; L409-H477 VanDerWaalsContact CD2-CD2 3.47Å; L409-H477 WeakPolarHBondContact CD2-CD2 3.43Å
410	M	96.3	Very high	92.2	Very high	6 Å²	6	39 Å²	39	3%	0.03	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	117.5	157.1	-177.9	62.3	65.6	0	0	108.5	L439 Y445 M447 F475 H476 L663	M410-L439 HydrophobicContact CE-CD1 4.11Å; M410-L439 HydrophobicContact SD-CD1 4.24Å; M410-Y445 HydrophobicContact CG-CD1 4.24Å; M410-Y445 HydrophobicContact SD-CD1 3.94Å; M410-M447 HydrophobicContact CE-CG 3.53Å; M410-M447 HydrophobicContact CE-SD 3.84Å; M410-M447 HydrophobicContact SD-CG 4.03Å; M410-F475 CarbonylContact O-C 3.37Å; M410-F475 WeakPolarHBondContact O-CA 3.46Å; M410-H476 PolarHBondContact N-O 3.38Å; M410-H476 PolarHBondContact O-N 3.49Å; M410-L663 HydrophobicContact CE-CB 3.99Å; M410-L663 HydrophobicContact CE-CD1 4.18Å; M410-L663 HydrophobicContact CE-CD2 4.04Å; M410-L663 HydrophobicContact CE-CG 4.3Å; M410-L663 HydrophobicContact CG-CD1 4.23Å
411	A	96.1	Very high	92.8	Very high	2 Å²	2	37.4 Å²	37.4	2%	0.017	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	130.5	169.3	0	0	0	0	0	109.4	I414 Y445 A446 V448 Q474 F475	A411-I414 HydrophobicContact CB-CD1 3.77Å; A411-I414 HydrophobicContact CB-CG1 4.26Å; A411-Y445 WeakPolarHBondContact O-CA 3.18Å; A411-A446 PolarHBondContact N-O 2.93Å; A411-A446 PolarHBondContact O-N 3.44Å; A411-V448 HydrophobicContact CB-CG2 4.47Å; A411-Q474 CarbonylContact C-O 3.48Å; A411-Q474 WeakPolarHBondContact CA-O 3.39Å; A411-F475 HydrophobicContact CB-CD1 3.66Å; A411-F475 HydrophobicContact CB-CE1 3.64Å; A411-F475 HydrophobicContact CB-CG 4.46Å; A411-F475 HydrophobicContact CB-CZ 4.42Å
412	S	94.9	Very high	93.2	Very high	13 Å²	13	38.1 Å²	38.1	9%	0.091	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	161.4	-176.7	64.1	0	0	0	0	112.2	I414 G444 Q474	S412-I414 VanDerWaalsContact C-N 3.28Å; S412-I414 PolarHBondContact O-N 2.97Å; S412-G444 CarbonylContact C-O 3.54Å; S412-Q474 PolarHBondContact N-O 3.16Å; S412-Q474 PolarHBondContact O-N 3.43Å
413	N	93.2	Very high	93.5	Very high	67 Å²	67	35.5 Å²	35.5	36%	0.358	18%	0.181	S	C	.	.	S	Bend	trans	54.3	37.9	-174.1	-161.8	32.9	0	0	0	114.4	P415 G444 Q471 V472	N413-P415 WeakPolarHBondContact O-CD 3.33Å; N413-G444 PolarHBondContact N-O 3.34Å; N413-Q471 PolarHBondContact ND2-OE1 3.11Å; N413-Q471 WeakPolarHBondContact O-CB 3.44Å; N413-Q471 PolarHBondContact OD1-OE1 2.72Å; N413-V472 WeakPolarHBondContact CB-O 3.46Å; N413-V472 PolarHBondContact ND2-O 2.96Å
414	I	94.2	Very high	93.9	Very high	11 Å²	11	32.8 Å²	32.8	6%	0.056	16%	0.158	C	C	.	.			trans	-72.8	126.6	-179.8	-53.5	173.2	0	0	0	110	A411 S412 Q416 M418 L423 F438 G444 A446	A411-I414 HydrophobicContact CB-CD1 3.77Å; A411-I414 HydrophobicContact CB-CG1 4.26Å; S412-I414 VanDerWaalsContact C-N 3.28Å; S412-I414 PolarHBondContact O-N 2.97Å; I414-Q416 PolarHBondContact O-N 2.93Å; I414-M418 HydrophobicContact CG2-CB 3.8Å; I414-M418 HydrophobicContact CG2-CG 4.48Å; I414-M418 HydrophobicContact CG2-SD 4.17Å; I414-L423 HydrophobicContact CD1-CD2 4.26Å; I414-F438 HydrophobicContact CD1-CE1 4.38Å; I414-F438 HydrophobicContact CG2-CE1 3.91Å; I414-F438 HydrophobicContact CG2-CZ 4.2Å; I414-G444 PolarHBondContact N-O 2.77Å; I414-G444 WeakPolarHBondContact O-CA 3.47Å; I414-A446 HydrophobicContact CD1-CB 3.38Å
415	P	93	Very high	94.1	Very high	10 Å²	10	29.6 Å²	29.6	7%	0.065	14%	0.142	C	C	.	.			trans	-53.1	135.9	172.9	-27.9	33.7	0	0	0	113.4	N413 R417 M418 V468 F469 Q471	N413-P415 WeakPolarHBondContact O-CD 3.33Å; P415-R417 HydrophobicContact CB-CG 4.28Å; P415-R417 PolarHBondContact O-N 2.89Å; P415-M418 HydrophobicContact CB-CG 4.32Å; P415-M418 HydrophobicContact CG-SD 4.14Å; P415-M418 WeakPolarHBondContact O-CB 3.41Å; P415-M418 PolarHBondContact O-N 3.44Å; P415-V468 HydrophobicContact CG-CG2 4.49Å; P415-V468 WeakPolarHBondContact CG-O 3.44Å; P415-F469 HydrophobicContact CB-CB 3.92Å; P415-F469 HydrophobicContact CB-CD2 4.25Å; P415-F469 HydrophobicContact CG-CB 3.83Å; P415-F469 HydrophobicContact CG-CD2 4.1Å; P415-F469 HydrophobicContact CG-CG 4.48Å; P415-Q471 HydrophobicContact CG-CB 3.98Å; P415-Q471 HydrophobicContact CG-CG 4.21Å
416	Q	88.9	Confident	94.4	Very high	185 Å²	185	23.4 Å²	23.4	86%	0.864	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-17.9	-178.9	-65.9	-177.5	-3.5	0	0	114.7	I414	I414-Q416 PolarHBondContact O-N 2.93Å
417	R	90.4	Very high	94.8	Very high	113 Å²	113	23 Å²	23	43%	0.426	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-3.9	175	70.9	-176.7	-59.6	-75.2	1.1	114.4	P415 H422 F469	P415-R417 HydrophobicContact CB-CG 4.28Å; P415-R417 PolarHBondContact O-N 2.89Å; R417-H422 PolarHBondContact O-ND1 3.44Å; R417-F469 HydrophobicContact CG-CB 4.5Å; R417-F469 HydrophobicContact CG-CD2 4.28Å; R417-F469 HydrophobicContact CG-CG 4.26Å
418	M	93.7	Very high	94.8	Very high	6 Å²	6	23 Å²	23	3%	0.03	11%	0.109	C	C	.	.			trans	-89.2	144.9	174.1	-70.2	-176.6	67.2	0	0	110.9	I414 P415 H422 L423 F438 V468 F469 I586	I414-M418 HydrophobicContact CG2-CB 3.8Å; I414-M418 HydrophobicContact CG2-CG 4.48Å; I414-M418 HydrophobicContact CG2-SD 4.17Å; P415-M418 HydrophobicContact CB-CG 4.32Å; P415-M418 HydrophobicContact CG-SD 4.14Å; P415-M418 WeakPolarHBondContact O-CB 3.41Å; P415-M418 PolarHBondContact O-N 3.44Å; M418-H422 HydrophobicContact CB-CB 4.18Å; M418-H422 HydrophobicContact CE-CB 4.23Å; M418-H422 HydrophobicContact CG-CB 4.22Å; M418-L423 HydrophobicContact CE-CB 4.35Å; M418-L423 HydrophobicContact CE-CD1 4.18Å; M418-F438 WeakPolarHBondContact O-CE1 3.28Å; M418-V468 HydrophobicContact SD-CG2 4.41Å; M418-F469 HydrophobicContact CG-CD2 4.04Å; M418-F469 HydrophobicContact CG-CE2 4.03Å; M418-F469 HydrophobicContact SD-CD2 4.1Å; M418-F469 HydrophobicContact SD-CE2 4.16Å; M418-I586 HydrophobicContact CE-CD1 4.08Å; M418-I586 HydrophobicContact CE-CG2 4.36Å; M418-I586 HydrophobicContact SD-CD1 4.37Å
419	N	94.2	Very high	94.7	Very high	6 Å²	6	23.2 Å²	23.2	3%	0.032	11%	0.11	C	C	.	.			trans	-128	-174.2	175.2	62.3	29.9	0	0	0	109.3	D421 H422 L423 L492 D494 S496	N419-D421 VanDerWaalsContact C-N 3.33Å; N419-D421 PolarHBondContact O-N 3.43Å; N419-D421 PolarHBondContact OD1-N 3.19Å; N419-H422 PolarHBondContact O-N 3.45Å; N419-H422 PolarHBondContact OD1-N 3.5Å; N419-H422 PolarHBondContact OD1-ND1 2.96Å; N419-L423 PolarHBondContact O-N 3.12Å; N419-L492 HydrophobicContact CB-CD1 4Å; N419-D494 WeakPolarHBondContact CB-OD2 3.25Å; N419-D494 PolarHBondContact ND2-OD2 2.83Å; N419-S496 VanDerWaalsContact CB-OG 3.28Å; N419-S496 WeakPolarHBondContact CB-OG 3.24Å
420	C	95.3	Very high	94.6	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.007	11%	0.11	C	C	.	.	H	α-helix	trans	-56.9	-42.9	179.3	-62.6	0	0	0	0	113	L423 F424 I436 P497 K500 Y502	C420-L423 PolarHBondContact O-N 3.23Å; C420-F424 WeakPolarHBondContact O-CB 3.38Å; C420-F424 PolarHBondContact O-N 2.79Å; C420-I436 HydrophobicContact CB-CB 4.31Å; C420-I436 HydrophobicContact CB-CG2 4.23Å; C420-I436 WeakPolarHBondContact O-CD1 3.41Å; C420-P497 PolarHBondContact SG-O 3.31Å; C420-K500 HydrophobicContact CB-CB 3.8Å; C420-K500 HydrophobicContact CB-CD 3.89Å; C420-K500 HydrophobicContact CB-CG 3.9Å; C420-Y502 HydrophobicContact CB-CE2 4.28Å; C420-Y502 VanDerWaalsContact CB-OH 3.25Å; C420-Y502 WeakPolarHBondContact CB-OH 3.45Å; C420-Y502 PolarHBondContact O-OH 2.82Å
421	D	94.8	Very high	94.5	Very high	17 Å²	17	23.2 Å²	23.2	9%	0.091	11%	0.111	C	C	.	.	H	α-helix	trans	-71.1	-38.6	-176.6	-62.7	-41.5	0	0	0	111.2	H370 H381 N419 L423 F424 N425 K500 Y502	H370-D421 IonicContact CE1-OD2 3.74Å; H370-D421 PolarHBondContact CE1-OD2 3.09Å; H370-D421 VanDerWaalsContact CE1-OD2 3.23Å; H370-D421 IonicContact ND1-OD2 3.74Å; H370-D421 PolarHBondContact ND1-OD2 3.46Å; H381-D421 IonicContact CE1-OD1 2.63Å; H381-D421 IonicContact NE2-OD1 3.84Å; N419-D421 VanDerWaalsContact C-N 3.33Å; N419-D421 PolarHBondContact O-N 3.43Å; N419-D421 PolarHBondContact OD1-N 3.19Å; D421-L423 PolarHBondContact O-N 2.83Å; D421-F424 PolarHBondContact O-N 2.81Å; D421-N425 WeakPolarHBondContact O-CB 3.31Å; D421-N425 PolarHBondContact O-N 3.03Å; D421-K500 WeakPolarHBondContact OD1-CD 3.32Å; D421-K500 WeakPolarHBondContact OD1-CE 3.48Å; D421-K500 IonicContact OD1-NZ 3.4Å; D421-K500 PolarHBondContact OD1-NZ 2.83Å; D421-K500 WeakPolarHBondContact OD2-CE 3.38Å; D421-K500 IonicContact OD2-NZ 3.8Å; D421-K500 PolarHBondContact OD2-NZ 2.94Å; D421-Y502 WeakPolarHBondContact CA-OH 3.41Å; D421-Y502 PolarHBondContact N-OH 3.28Å; D421-Y502 VanDerWaalsContact N-OH 3.1Å; D421-Y502 WeakPolarHBondContact OD1-CE1 3.42Å; D421-Y502 PolarHBondContact OD1-OH 3.34Å
422	H	95.8	Very high	94.4	Very high	35 Å²	35	23.6 Å²	23.6	16%	0.162	11%	0.113	C	C	.	.	H	α-helix	trans	-59.9	-41.1	170.9	-69.6	149.1	0	0	0	112.7	R417 M418 N419 I586	R417-H422 PolarHBondContact O-ND1 3.44Å; M418-H422 HydrophobicContact CB-CB 4.18Å; M418-H422 HydrophobicContact CE-CB 4.23Å; M418-H422 HydrophobicContact CG-CB 4.22Å; N419-H422 PolarHBondContact O-N 3.45Å; N419-H422 PolarHBondContact OD1-N 3.5Å; N419-H422 PolarHBondContact OD1-ND1 2.96Å; H422-I586 HydrophobicContact CB-CG2 3.58Å
423	L	96.3	Very high	94.5	Very high	3 Å²	3	23 Å²	23	2%	0.016	11%	0.109	C	C	.	.	H	α-helix	trans	-74.3	-38.3	178.9	-171.5	55.8	0	0	0	111.8	I414 M418 N419 C420 D421 L426 I427 I436 F438 A446 V448 F475	I414-L423 HydrophobicContact CD1-CD2 4.26Å; M418-L423 HydrophobicContact CE-CB 4.35Å; M418-L423 HydrophobicContact CE-CD1 4.18Å; N419-L423 PolarHBondContact O-N 3.12Å; C420-L423 PolarHBondContact O-N 3.23Å; D421-L423 PolarHBondContact O-N 2.83Å; L423-L426 PolarHBondContact O-N 3.45Å; L423-I427 WeakPolarHBondContact O-CG1 3.49Å; L423-I427 PolarHBondContact O-N 2.82Å; L423-I436 HydrophobicContact CB-CD1 4.1Å; L423-I436 HydrophobicContact CD2-CG2 3.93Å; L423-I436 HydrophobicContact CG-CD1 4.22Å; L423-F438 HydrophobicContact CD2-CE2 4.33Å; L423-F438 HydrophobicContact CD2-CZ 4.46Å; L423-A446 HydrophobicContact CD2-CB 4.14Å; L423-V448 HydrophobicContact CD2-CG2 3.56Å; L423-V448 HydrophobicContact CG-CG2 4.21Å; L423-F475 HydrophobicContact CD1-CE1 4.17Å; L423-F475 HydrophobicContact CD1-CZ 3.92Å
424	F	96.6	Very high	94.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-56.6	-49.4	170.7	176.3	-86.4	0	0	0	111.4	H381 C420 D421 L426 I427 C428 V433 I436 Y502 N507 H590	H381-F424 AromaticContact CE1-CD1 3.4Å; H381-F424 WeakPolarHBondContact CE1-CD1 3.47Å; H381-F424 AromaticContact CE1-CE1 3.8Å; H381-F424 AromaticContact ND1-CD1 3.97Å; H381-F424 AromaticContact ND1-CE1 3.93Å; C420-F424 WeakPolarHBondContact O-CB 3.38Å; C420-F424 PolarHBondContact O-N 2.79Å; D421-F424 PolarHBondContact O-N 2.81Å; F424-L426 PolarHBondContact O-N 3.38Å; F424-L426 VanDerWaalsContact O-N 3.12Å; F424-I427 PolarHBondContact O-N 3.13Å; F424-I427 VanDerWaalsContact O-N 3.13Å; F424-C428 HydrophobicContact CD1-CB 4.07Å; F424-C428 HydrophobicContact CD2-CB 4.36Å; F424-C428 HydrophobicContact CE1-CB 3.77Å; F424-C428 HydrophobicContact CE2-CB 4.07Å; F424-C428 HydrophobicContact CG-CB 4.37Å; F424-C428 HydrophobicContact CZ-CB 3.77Å; F424-C428 VanDerWaalsContact O-CB 3.26Å; F424-C428 WeakPolarHBondContact O-CB 3.29Å; F424-C428 PolarHBondContact O-N 2.84Å; F424-C428 PolarHBondContact O-SG 3Å; F424-V433 HydrophobicContact CD2-CB 3.73Å; F424-V433 HydrophobicContact CD2-CG1 4.13Å; F424-V433 HydrophobicContact CD2-CG2 3.83Å; F424-V433 HydrophobicContact CE2-CB 3.87Å; F424-V433 HydrophobicContact CE2-CG2 4.04Å; F424-I436 HydrophobicContact CB-CD1 3.98Å; F424-Y502 HydrophobicContact CB-CD1 4.43Å; F424-Y502 HydrophobicContact CB-CE1 3.97Å; F424-Y502 HydrophobicContact CB-CE2 4.29Å; F424-Y502 AromaticContact CD2-CD1 3.38Å; F424-Y502 HydrophobicContact CD2-CD1 3.38Å; F424-Y502 HydrophobicContact CD2-CD2 4.01Å; F424-Y502 AromaticContact CD2-CE1 3.8Å; F424-Y502 HydrophobicContact CD2-CE1 3.8Å; F424-Y502 HydrophobicContact CD2-CE2 4.35Å; F424-Y502 AromaticContact CD2-CG 3.51Å; F424-Y502 HydrophobicContact CD2-CG 3.51Å; F424-Y502 AromaticContact CE2-CD1 3.66Å; F424-Y502 HydrophobicContact CE2-CD1 3.66Å; F424-Y502 HydrophobicContact CE2-CE1 4.43Å; F424-Y502 AromaticContact CE2-CG 3.84Å; F424-Y502 HydrophobicContact CE2-CG 3.84Å; F424-Y502 AromaticContact CG-CD1 3.91Å; F424-Y502 HydrophobicContact CG-CD1 3.91Å; F424-Y502 AromaticContact CG-CE1 3.85Å; F424-Y502 HydrophobicContact CG-CE1 3.85Å; F424-Y502 HydrophobicContact CG-CG 4.38Å; F424-Y502 HydrophobicContact CZ-CD1 4.38Å; F424-N507 HydrophobicContact CE1-CB 3.95Å; F424-N507 HydrophobicContact CZ-CB 4.05Å; F424-H590 AromaticContact CE1-CE1 3.82Å; F424-H590 AromaticContact CE1-ND1 3.92Å
425	N	96	Very high	94.6	Very high	8 Å²	8	20.5 Å²	20.5	4%	0.043	9%	0.093	C	C	.	.	H	α-helix	trans	-56.1	-29.9	-177.9	-86.7	-7.1	0	0	0	114.3	D421 I586 N589 H590	D421-N425 WeakPolarHBondContact O-CB 3.31Å; D421-N425 PolarHBondContact O-N 3.03Å; N425-I586 PolarHBondContact ND2-O 3.34Å; N425-N589 HydrophobicContact CB-CB 4.16Å; N425-N589 PolarHBondContact ND2-O 2.69Å; N425-N589 PolarHBondContact O-ND2 2.95Å; N425-N589 PolarHBondContact OD1-O 3.36Å; N425-H590 PolarHBondContact OD1-ND1 3.31Å
426	L	96	Very high	94.8	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-76.4	-46.5	177.4	-174.3	62.9	0	0	0	112.3	L423 F424 F463 I473 L582 L585 I586	L423-L426 PolarHBondContact O-N 3.45Å; F424-L426 PolarHBondContact O-N 3.38Å; F424-L426 VanDerWaalsContact O-N 3.12Å; L426-F463 HydrophobicContact CD1-CD1 4.44Å; L426-F463 HydrophobicContact CD1-CE1 3.49Å; L426-F463 VanDerWaalsContact CD1-CE1 3.49Å; L426-F463 HydrophobicContact CD1-CZ 3.59Å; L426-F463 HydrophobicContact CD2-CD1 4.44Å; L426-F463 HydrophobicContact CD2-CE1 4.18Å; L426-F463 HydrophobicContact CD2-CZ 4.33Å; L426-F463 HydrophobicContact CG-CE1 3.83Å; L426-F463 HydrophobicContact CG-CE2 4.23Å; L426-F463 HydrophobicContact CG-CZ 3.63Å; L426-I473 HydrophobicContact CD2-CD1 3.67Å; L426-L582 HydrophobicContact CD1-CD2 3.94Å; L426-L585 HydrophobicContact CD1-CD2 4.17Å; L426-I586 HydrophobicContact CB-CG1 4.07Å; L426-I586 HydrophobicContact CD1-CD1 4.13Å; L426-I586 HydrophobicContact CD1-CG1 4.03Å; L426-I586 HydrophobicContact CD2-CD1 4.34Å; L426-I586 HydrophobicContact CG-CG1 4.48Å
427	I	96.1	Very high	95.1	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-98	-23.9	-165.7	70	-180	0	0	0	114.5	L423 F424 L429 Y430 V433 I436 V448 I459 F475	L423-I427 WeakPolarHBondContact O-CG1 3.49Å; L423-I427 PolarHBondContact O-N 2.82Å; F424-I427 PolarHBondContact O-N 3.13Å; F424-I427 VanDerWaalsContact O-N 3.13Å; I427-L429 PolarHBondContact O-N 2.9Å; I427-Y430 PolarHBondContact O-N 2.92Å; I427-V433 HydrophobicContact CD1-CG1 4.2Å; I427-V433 HydrophobicContact CD1-CG2 3.82Å; I427-V433 HydrophobicContact CG1-CG2 3.66Å; I427-I436 HydrophobicContact CD1-CD1 4.38Å; I427-V448 HydrophobicContact CD1-CG1 3.28Å; I427-I459 HydrophobicContact CB-CD1 3.81Å; I427-I459 HydrophobicContact CB-CG1 4.28Å; I427-I459 HydrophobicContact CG2-CD1 4.25Å; I427-I459 HydrophobicContact CG2-CG1 4.45Å; I427-I459 HydrophobicContact CG2-CG2 4.27Å; I427-F475 HydrophobicContact CG2-CE1 4.12Å; I427-F475 HydrophobicContact CG2-CZ 3.81Å
428	C	95.2	Very high	95.4	Very high	1 Å²	1	6.6 Å²	6.6	1%	0.007	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-5.3	178.1	72.1	0	0	0	0	113.2	F424 Y430 V433	F424-C428 HydrophobicContact CD1-CB 4.07Å; F424-C428 HydrophobicContact CD2-CB 4.36Å; F424-C428 HydrophobicContact CE1-CB 3.77Å; F424-C428 HydrophobicContact CE2-CB 4.07Å; F424-C428 HydrophobicContact CG-CB 4.37Å; F424-C428 HydrophobicContact CZ-CB 3.77Å; F424-C428 VanDerWaalsContact O-CB 3.26Å; F424-C428 WeakPolarHBondContact O-CB 3.29Å; F424-C428 PolarHBondContact O-N 2.84Å; F424-C428 PolarHBondContact O-SG 3Å; C428-Y430 VanDerWaalsContact C-N 3.31Å; C428-V433 HydrophobicContact CB-CG2 4.21Å
429	L	94.6	Very high	95.3	Very high	3 Å²	3	6.9 Å²	6.9	2%	0.016	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-26.3	171.4	-58.2	-172.2	0	0	0	112.9	I427 R509 F510 L585 I606 F608	I427-L429 PolarHBondContact O-N 2.9Å; L429-R509 VanDerWaalsContact CA-NH2 3.3Å; L429-R509 VanDerWaalsContact CD2-NH1 3.29Å; L429-R509 PolarHBondContact O-NH2 2.65Å; L429-F510 WeakPolarHBondContact O-CZ 3.44Å; L429-L585 HydrophobicContact CD1-CD1 3.94Å; L429-L585 HydrophobicContact CD1-CD2 3.54Å; L429-L585 HydrophobicContact CD1-CG 4.36Å; L429-I606 WeakPolarHBondContact CD2-O 3.24Å; L429-F608 HydrophobicContact CD1-CD2 3.73Å; L429-F608 HydrophobicContact CD1-CE2 3.33Å; L429-F608 HydrophobicContact CD1-CZ 3.86Å
430	Y	95.3	Very high	95.1	Very high	2 Å²	2	12 Å²	12	1%	0.008	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-29.8	-172.1	-65	-80.6	0	0	0	113.6	I427 C428 L458 I459 Y462 F463 I521 L522 P524 F608	I427-Y430 PolarHBondContact O-N 2.92Å; C428-Y430 VanDerWaalsContact C-N 3.31Å; Y430-L458 HydrophobicContact CD1-CB 4.16Å; Y430-I459 HydrophobicContact CD2-CG1 4.29Å; Y430-I459 HydrophobicContact CG-CG1 4.28Å; Y430-Y462 AromaticContact CD1-CD2 3.76Å; Y430-Y462 HydrophobicContact CD1-CD2 3.76Å; Y430-Y462 HydrophobicContact CD1-CE2 4.1Å; Y430-Y462 AromaticContact CE1-CD2 3.23Å; Y430-Y462 HydrophobicContact CE1-CD2 3.23Å; Y430-Y462 AromaticContact CE1-CE2 3.65Å; Y430-Y462 HydrophobicContact CE1-CE2 3.65Å; Y430-Y462 HydrophobicContact CE1-CG 4.1Å; Y430-F463 AromaticContact CD2-CE2 3.95Å; Y430-F463 HydrophobicContact CD2-CE2 3.95Å; Y430-F463 AromaticContact CE2-CE2 3.46Å; Y430-F463 HydrophobicContact CE2-CE2 3.46Å; Y430-F463 VanDerWaalsContact CE2-CE2 3.46Å; Y430-F463 AromaticContact CE2-CZ 3.66Å; Y430-F463 HydrophobicContact CE2-CZ 3.66Å; Y430-I521 HydrophobicContact CD1-CG2 3.74Å; Y430-I521 HydrophobicContact CE1-CG2 4.14Å; Y430-I521 VanDerWaalsContact O-CD1 3.28Å; Y430-I521 WeakPolarHBondContact O-CD1 3.49Å; Y430-L522 WeakPolarHBondContact CE1-O 3.41Å; Y430-L522 PolarHBondContact OH-O 3.01Å; Y430-P524 WeakPolarHBondContact OH-CD 3.44Å; Y430-F608 HydrophobicContact CE2-CE2 4.19Å; Y430-F608 WeakPolarHBondContact OH-CE2 3.43Å
431	G	93.7	Very high	94.7	Very high	4 Å²	4	16.1 Å²	16.1	4%	0.041	8%	0.081	C	C	.	.	S	Bend	trans	-171.9	-167	178.1	0	0	0	0	0	111.6	T455 F510	G431-T455 WeakPolarHBondContact CA-OG1 3.4Å; G431-F510 VanDerWaalsContact CA-CD2 3.49Å
432	N	94.5	Very high	94.4	Very high	10 Å²	10	18.5 Å²	18.5	5%	0.053	9%	0.089	C	C	.	.			trans	-82.7	145.4	174.8	-59.1	-46.1	0	0	0	110.7	V400 F401 V450 G451 N508 F510 R511	V400-N432 VanDerWaalsContact CG1-ND2 3.35Å; V400-N432 WeakPolarHBondContact CG1-ND2 3.46Å; F401-N432 HydrophobicContact CE1-CB 3.68Å; F401-N432 HydrophobicContact CZ-CB 4.04Å; N432-V450 CarbonylContact O-C 3.58Å; N432-V450 WeakPolarHBondContact O-CA 3.46Å; N432-G451 PolarHBondContact O-N 2.84Å; N432-N508 WeakPolarHBondContact CA-OD1 3.39Å; N432-N508 HydrophobicContact CB-CB 4.32Å; N432-N508 PolarHBondContact OD1-O 3Å; N432-F510 WeakPolarHBondContact OD1-CA 3.44Å; N432-F510 WeakPolarHBondContact OD1-CB 3.35Å; N432-F510 PolarHBondContact OD1-N 2.81Å; N432-F510 VanDerWaalsContact OD1-N 3.15Å; N432-R511 PolarHBondContact ND2-N 2.96Å; N432-R511 PolarHBondContact OD1-N 3.21Å; N432-R511 VanDerWaalsContact OD1-N 3.11Å
433	V	96	Very high	94.2	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.006	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126.1	176.4	-172.4	0	0	0	0	109.2	F424 I427 C428 I436 Y502 N508	F424-V433 HydrophobicContact CD2-CB 3.73Å; F424-V433 HydrophobicContact CD2-CG1 4.13Å; F424-V433 HydrophobicContact CD2-CG2 3.83Å; F424-V433 HydrophobicContact CE2-CB 3.87Å; F424-V433 HydrophobicContact CE2-CG2 4.04Å; I427-V433 HydrophobicContact CD1-CG1 4.2Å; I427-V433 HydrophobicContact CD1-CG2 3.82Å; I427-V433 HydrophobicContact CG1-CG2 3.66Å; C428-V433 HydrophobicContact CB-CG2 4.21Å; V433-I436 HydrophobicContact CG1-CD1 4.08Å; V433-I436 HydrophobicContact CG1-CG1 3.9Å; V433-Y502 HydrophobicContact CG1-CD2 4.32Å; V433-Y502 CarbonylContact O-C 3.44Å; V433-Y502 VanDerWaalsContact O-CB 3.32Å; V433-Y502 WeakPolarHBondContact O-CB 3.37Å; V433-N508 PolarHBondContact N-OD1 2.83Å; V433-N508 PolarHBondContact O-ND2 3.1Å
434	A	94.8	Very high	94	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-57.1	177	0	0	0	0	0	111.4	F401 Q449 Y502 M503	F401-A434 HydrophobicContact CD1-CB 3.56Å; F401-A434 HydrophobicContact CE1-CB 3.91Å; F401-A434 HydrophobicContact CG-CB 4.2Å; A434-Q449 HydrophobicContact CB-CB 4.05Å; A434-Q449 HydrophobicContact CB-CG 3.8Å; A434-Q449 PolarHBondContact N-O 3.44Å; A434-Y502 CarbonylContact O-C 3.54Å; A434-Y502 WeakPolarHBondContact O-CA 3.33Å; A434-Y502 PolarHBondContact O-N 2.76Å; A434-M503 HydrophobicContact CB-CE 4.42Å; A434-M503 HydrophobicContact CB-CG 3.8Å; A434-M503 HydrophobicContact CB-SD 4.49Å; A434-M503 WeakPolarHBondContact O-CG 3.43Å; A434-M503 PolarHBondContact O-N 3.15Å; A434-M503 VanDerWaalsContact O-N 3.15Å
435	R	95	Very high	94	Very high	25 Å²	25	25.1 Å²	25.1	9%	0.094	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	150.4	-172.2	-58.3	-173.9	-175.4	98.3	-14	111	Q449 E482 L483 E485 M499 K500 N501	R435-Q449 HydrophobicContact CB-CB 4.42Å; R435-Q449 PolarHBondContact N-O 2.74Å; R435-Q449 PolarHBondContact O-N 2.82Å; R435-E482 IonicContact CZ-OE1 3.49Å; R435-E482 VanDerWaalsContact CZ-OE1 3.27Å; R435-E482 VanDerWaalsContact NH1-CG 3.32Å; R435-E482 IonicContact NH1-OE1 3.83Å; R435-E482 PolarHBondContact NH1-OE1 3.37Å; R435-E482 IonicContact NH2-OE1 2.72Å; R435-E482 PolarHBondContact NH2-OE1 2.86Å; R435-L483 HydrophobicContact CB-CB 4.34Å; R435-L483 HydrophobicContact CB-CD1 4.45Å; R435-L483 VanDerWaalsContact CD-O 3.28Å; R435-L483 WeakPolarHBondContact CD-O 3.29Å; R435-L483 PolarHBondContact NH1-O 3Å; R435-E485 IonicContact CZ-OE1 3.27Å; R435-E485 IonicContact NE-OE1 2.82Å; R435-E485 PolarHBondContact NE-OE1 3.16Å; R435-E485 IonicContact NH2-OE1 2.91Å; R435-M499 HydrophobicContact CB-CE 4.19Å; R435-K500 VanDerWaalsContact CA-O 3.32Å; R435-K500 WeakPolarHBondContact CA-O 3.36Å; R435-N501 HydrophobicContact CG-CB 4.49Å
436	I	97	Very high	94	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	133.1	171.7	-60.3	180	0	0	0	108.1	C420 L423 F424 I427 V433 F438 M447 V448 M499 K500 Y502	C420-I436 HydrophobicContact CB-CB 4.31Å; C420-I436 HydrophobicContact CB-CG2 4.23Å; C420-I436 WeakPolarHBondContact O-CD1 3.41Å; L423-I436 HydrophobicContact CB-CD1 4.1Å; L423-I436 HydrophobicContact CD2-CG2 3.93Å; L423-I436 HydrophobicContact CG-CD1 4.22Å; F424-I436 HydrophobicContact CB-CD1 3.98Å; I427-I436 HydrophobicContact CD1-CD1 4.38Å; V433-I436 HydrophobicContact CG1-CD1 4.08Å; V433-I436 HydrophobicContact CG1-CG1 3.9Å; I436-F438 HydrophobicContact CG2-CD2 4.2Å; I436-F438 HydrophobicContact CG2-CE2 4.03Å; I436-M447 WeakPolarHBondContact CA-O 3.42Å; I436-V448 HydrophobicContact CG1-CG1 4.45Å; I436-V448 HydrophobicContact CG1-CG2 4.31Å; I436-V448 HydrophobicContact CG2-CG2 4.33Å; I436-M499 CarbonylContact O-C 3.59Å; I436-M499 VanDerWaalsContact O-CA 3.23Å; I436-M499 WeakPolarHBondContact O-CA 3.2Å; I436-M499 WeakPolarHBondContact O-CG 3.33Å; I436-K500 PolarHBondContact N-O 3.01Å; I436-K500 PolarHBondContact O-N 3.39Å; I436-Y502 HydrophobicContact CB-CE2 4.11Å; I436-Y502 HydrophobicContact CD1-CD2 4.36Å; I436-Y502 HydrophobicContact CD1-CE2 3.86Å; I436-Y502 HydrophobicContact CG1-CD2 4.2Å; I436-Y502 HydrophobicContact CG1-CE2 3.94Å
437	K	96	Very high	94.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	114.5	177.3	-176.2	-165.4	-178.7	-160.3	0	110.3	A446 M447 M499 E670	K437-A446 CarbonylContact O-C 3.58Å; K437-A446 VanDerWaalsContact O-CA 3.27Å; K437-A446 WeakPolarHBondContact O-CA 3.47Å; K437-A446 WeakPolarHBondContact O-CB 3.16Å; K437-M447 HydrophobicContact CD-CE 4.19Å; K437-M447 PolarHBondContact N-O 3.15Å; K437-M447 PolarHBondContact O-N 3.2Å; K437-M499 HydrophobicContact CB-CB 4.28Å; K437-M499 HydrophobicContact CB-CE 4.3Å; K437-M499 HydrophobicContact CB-CG 3.91Å; K437-M499 HydrophobicContact CB-SD 3.99Å; K437-M499 HydrophobicContact CD-SD 4.22Å; K437-M499 HydrophobicContact CG-CB 4.17Å; K437-M499 HydrophobicContact CG-CG 4.2Å; K437-M499 HydrophobicContact CG-SD 4.01Å; K437-E670 WeakPolarHBondContact CE-OE2 3.37Å; K437-E670 IonicContact NZ-OE2 2.72Å; K437-E670 PolarHBondContact NZ-OE2 3.22Å
438	F	95.9	Very high	94.1	Very high	16 Å²	16	24.8 Å²	24.8	7%	0.07	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	145.9	169.4	-81.6	-113.1	0	0	0	110.7	I414 M418 L423 I436 A446 L492 V498	I414-F438 HydrophobicContact CD1-CE1 4.38Å; I414-F438 HydrophobicContact CG2-CE1 3.91Å; I414-F438 HydrophobicContact CG2-CZ 4.2Å; M418-F438 WeakPolarHBondContact O-CE1 3.28Å; L423-F438 HydrophobicContact CD2-CE2 4.33Å; L423-F438 HydrophobicContact CD2-CZ 4.46Å; I436-F438 HydrophobicContact CG2-CD2 4.2Å; I436-F438 HydrophobicContact CG2-CE2 4.03Å; F438-A446 HydrophobicContact CB-CB 4.44Å; F438-A446 HydrophobicContact CD1-CB 4.2Å; F438-A446 HydrophobicContact CD2-CB 3.89Å; F438-A446 HydrophobicContact CE1-CB 4.43Å; F438-A446 HydrophobicContact CE2-CB 4.1Å; F438-A446 HydrophobicContact CG-CB 3.93Å; F438-A446 HydrophobicContact CZ-CB 4.38Å; F438-L492 HydrophobicContact CB-CD1 4.33Å; F438-L492 HydrophobicContact CB-CD2 3.86Å; F438-L492 HydrophobicContact CD1-CD1 4.21Å; F438-L492 HydrophobicContact CD1-CD2 4.39Å; F438-L492 HydrophobicContact CD2-CD1 4.16Å; F438-L492 HydrophobicContact CG-CD1 3.97Å; F438-L492 HydrophobicContact CG-CD2 4.24Å; F438-V498 HydrophobicContact CB-CG1 4.45Å; F438-V498 PolarHBondContact N-O 3.31Å; F438-V498 WeakPolarHBondContact O-CG1 3.16Å
439	L	93	Very high	94.2	Very high	13 Å²	13	24.9 Å²	24.9	7%	0.068	13%	0.131	C	C	.	.			trans	-93.8	117.2	179.6	-57.4	-171.6	0	0	0	110.5	M410 R442 Y445 M447	M410-L439 HydrophobicContact CE-CD1 4.11Å; M410-L439 HydrophobicContact SD-CD1 4.24Å; L439-R442 CarbonylContact O-C 3.54Å; L439-Y445 PolarHBondContact N-O 3.3Å; L439-M447 HydrophobicContact CD2-CE 4.08Å; L439-M447 HydrophobicContact CD2-CG 4.28Å
440	K	88.6	Confident	94.3	Very high	112 Å²	112	24.8 Å²	24.8	49%	0.487	13%	0.13	S	C	.	.	S	Bend	trans	-74.7	-30.8	176.2	-88.2	-177.6	161.8	165	0	112.3	R442 L489 T491 V498	K440-R442 VanDerWaalsContact C-N 3.34Å; K440-L489 PolarHBondContact NZ-O 2.87Å; K440-T491 WeakPolarHBondContact CE-O 3.27Å; K440-T491 PolarHBondContact NZ-O 2.63Å; K440-V498 HydrophobicContact CD-CG2 3.95Å; K440-V498 HydrophobicContact CG-CG2 4.23Å
441	T	87.9	Confident	94.2	Very high	89 Å²	89	24.9 Å²	24.9	55%	0.546	13%	0.131	S	C	.	.	S	Bend	trans	-70	-25.2	175.3	48	0	0	0	0	114.1	E670	T441-E670 WeakPolarHBondContact CB-OE1 3.45Å; T441-E670 HydrophobicContact CG2-CG 3.83Å; T441-E670 VanDerWaalsContact CG2-OE1 3.3Å; T441-E670 WeakPolarHBondContact CG2-OE1 3.45Å; T441-E670 PolarHBondContact N-OE1 2.95Å; T441-E670 PolarHBondContact OG1-OE1 3.45Å
442	R	89.2	Confident	94.2	Very high	67 Å²	67	27.2 Å²	27.2	25%	0.253	14%	0.143	S	C	.	.	S	Bend	trans	-136.1	89.7	177	-90.2	-180	142.7	-176.4	-21.8	110.6	L439 K440 Y445 E659 L663	L439-R442 CarbonylContact O-C 3.54Å; K440-R442 VanDerWaalsContact C-N 3.34Å; R442-Y445 HydrophobicContact CB-CD2 3.87Å; R442-Y445 HydrophobicContact CB-CG 4.31Å; R442-Y445 WeakPolarHBondContact O-CB 3.27Å; R442-Y445 PolarHBondContact O-N 3.01Å; R442-E659 IonicContact CZ-OE1 3.69Å; R442-E659 IonicContact NH1-OE1 2.7Å; R442-E659 IonicContact NH2-OE1 3.14Å; R442-E659 PolarHBondContact NH2-OE1 2.77Å; R442-L663 VanDerWaalsContact NH1-CD2 3.34Å
443	P	90.5	Very high	94.2	Very high	100 Å²	100	28.2 Å²	28.2	65%	0.649	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	141.7	173	-26.8	35.5	0	0	0	112.3	Y445	P443-Y445 VanDerWaalsContact C-N 3.34Å
444	G	93	Very high	94.1	Very high	20 Å²	20	33.1 Å²	33.1	21%	0.206	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	4.9	-174.2	0	0	0	0	0	114.9	S412 N413 I414	S412-G444 CarbonylContact C-O 3.54Å; N413-G444 PolarHBondContact N-O 3.34Å; I414-G444 PolarHBondContact N-O 2.77Å; I414-G444 WeakPolarHBondContact O-CA 3.47Å
445	Y	96.1	Very high	94.1	Very high	56 Å²	56	33.5 Å²	33.5	22%	0.22	18%	0.175	C	C	.	.			trans	-118.8	144	172.7	-67.6	-105.3	0	0	0	111.6	M410 A411 L439 R442 P443	M410-Y445 HydrophobicContact CG-CD1 4.24Å; M410-Y445 HydrophobicContact SD-CD1 3.94Å; A411-Y445 WeakPolarHBondContact O-CA 3.18Å; L439-Y445 PolarHBondContact N-O 3.3Å; R442-Y445 HydrophobicContact CB-CD2 3.87Å; R442-Y445 HydrophobicContact CB-CG 4.31Å; R442-Y445 WeakPolarHBondContact O-CB 3.27Å; R442-Y445 PolarHBondContact O-N 3.01Å; P443-Y445 VanDerWaalsContact C-N 3.34Å
446	A	96.7	Very high	94.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	149.3	169.2	0	0	0	0	0	110.5	A411 I414 L423 K437 F438	A411-A446 PolarHBondContact N-O 2.93Å; A411-A446 PolarHBondContact O-N 3.44Å; I414-A446 HydrophobicContact CD1-CB 3.38Å; L423-A446 HydrophobicContact CD2-CB 4.14Å; K437-A446 CarbonylContact O-C 3.58Å; K437-A446 VanDerWaalsContact O-CA 3.27Å; K437-A446 WeakPolarHBondContact O-CA 3.47Å; K437-A446 WeakPolarHBondContact O-CB 3.16Å; F438-A446 HydrophobicContact CB-CB 4.44Å; F438-A446 HydrophobicContact CD1-CB 4.2Å; F438-A446 HydrophobicContact CD2-CB 3.89Å; F438-A446 HydrophobicContact CE1-CB 4.43Å; F438-A446 HydrophobicContact CE2-CB 4.1Å; F438-A446 HydrophobicContact CG-CB 3.93Å; F438-A446 HydrophobicContact CZ-CB 4.38Å
447	M	96.7	Very high	94.1	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	141.2	169.5	-55.8	-168.1	-69.1	0	0	110.2	V408 L409 M410 I436 K437 L439 I480 L483 E667	V408-M447 HydrophobicContact CG1-CB 4.41Å; L409-M447 WeakPolarHBondContact O-CA 3.18Å; M410-M447 HydrophobicContact CE-CG 3.53Å; M410-M447 HydrophobicContact CE-SD 3.84Å; M410-M447 HydrophobicContact SD-CG 4.03Å; I436-M447 WeakPolarHBondContact CA-O 3.42Å; K437-M447 HydrophobicContact CD-CE 4.19Å; K437-M447 PolarHBondContact N-O 3.15Å; K437-M447 PolarHBondContact O-N 3.2Å; L439-M447 HydrophobicContact CD2-CE 4.08Å; L439-M447 HydrophobicContact CD2-CG 4.28Å; M447-I480 HydrophobicContact CE-CD1 4.38Å; M447-I480 HydrophobicContact SD-CD1 3.59Å; M447-I480 VanDerWaalsContact SD-CD1 3.59Å; M447-L483 HydrophobicContact CB-CD1 3.91Å; M447-L483 HydrophobicContact CB-CD2 3.66Å; M447-L483 HydrophobicContact CB-CG 4.44Å; M447-L483 HydrophobicContact CE-CD2 3.69Å; M447-L483 HydrophobicContact CG-CD2 4.46Å; M447-L483 HydrophobicContact SD-CD2 4.07Å; M447-E667 HydrophobicContact CE-CB 4.08Å; M447-E667 HydrophobicContact CE-CG 3.89Å
448	V	97.5	Very high	94	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	120.9	-173.4	172.5	0	0	0	0	108.5	V408 L409 A411 L423 I427 I436 V450	V408-V448 CarbonylContact C-O 3.55Å; V408-V448 VanDerWaalsContact CA-O 3.3Å; V408-V448 WeakPolarHBondContact CA-O 3.32Å; L409-V448 HydrophobicContact CB-CB 4.47Å; L409-V448 PolarHBondContact N-O 3.31Å; L409-V448 PolarHBondContact O-N 3.16Å; A411-V448 HydrophobicContact CB-CG2 4.47Å; L423-V448 HydrophobicContact CD2-CG2 3.56Å; L423-V448 HydrophobicContact CG-CG2 4.21Å; I427-V448 HydrophobicContact CD1-CG1 3.28Å; I436-V448 HydrophobicContact CG1-CG1 4.45Å; I436-V448 HydrophobicContact CG1-CG2 4.31Å; I436-V448 HydrophobicContact CG2-CG2 4.33Å; V448-V450 HydrophobicContact CG1-CG1 4.15Å
449	Q	96.8	Very high	94.1	Very high	3 Å²	3	36.6 Å²	36.6	1%	0.014	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	122.1	171.6	-172.5	-178.5	-0.6	0	0	109.5	V407 V408 A434 R435 L483	V407-Q449 HydrophobicContact CG2-CG 4.29Å; V407-Q449 CarbonylContact O-C 3.58Å; V407-Q449 WeakPolarHBondContact O-CA 3.37Å; V408-Q449 HydrophobicContact CG2-CB 4.17Å; V408-Q449 HydrophobicContact CG2-CG 4.09Å; A434-Q449 HydrophobicContact CB-CB 4.05Å; A434-Q449 HydrophobicContact CB-CG 3.8Å; A434-Q449 PolarHBondContact N-O 3.44Å; R435-Q449 HydrophobicContact CB-CB 4.42Å; R435-Q449 PolarHBondContact N-O 2.74Å; R435-Q449 PolarHBondContact O-N 2.82Å; Q449-L483 HydrophobicContact CB-CB 4.42Å; Q449-L483 HydrophobicContact CB-CD1 3.9Å; Q449-L483 HydrophobicContact CB-CG 4.03Å; Q449-L483 VanDerWaalsContact OE1-N 3.14Å
450	V	96.4	Very high	94.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	174.4	172.6	-64.4	0	0	0	0	111.1	V407 N432 V448 N452 T455 I459	V407-V450 VanDerWaalsContact O-CG2 3.28Å; V407-V450 WeakPolarHBondContact O-CG2 3.17Å; V407-V450 PolarHBondContact O-N 3.03Å; N432-V450 CarbonylContact O-C 3.58Å; N432-V450 WeakPolarHBondContact O-CA 3.46Å; V448-V450 HydrophobicContact CG1-CG1 4.15Å; V450-N452 WeakPolarHBondContact CG2-O 3.15Å; V450-T455 HydrophobicContact CB-CG2 3.78Å; V450-T455 HydrophobicContact CG1-CG2 3.85Å; V450-T455 HydrophobicContact CG2-CG2 4.1Å; V450-I459 HydrophobicContact CG1-CD1 3.8Å
451	G	93.2	Very high	94.4	Very high	4 Å²	4	41.1 Å²	41.1	4%	0.041	21%	0.21	C	C	.	.	S	Bend	trans	-77.3	-26.7	-174.4	0	0	0	0	0	116.1	E402 N432	E402-G451 PolarHBondContact N-O 3.27Å; N432-G451 PolarHBondContact O-N 2.84Å
452	N	93.1	Very high	94.7	Very high	54 Å²	54	39.8 Å²	39.8	29%	0.289	20%	0.195	S	C	.	.	S	Bend	trans	-155.8	158.8	-178.5	67.5	-3.6	0	0	0	110.5	V450 E454 T455	V450-N452 WeakPolarHBondContact CG2-O 3.15Å; N452-E454 VanDerWaalsContact C-N 3.29Å; N452-E454 WeakPolarHBondContact CB-OE2 3.46Å; N452-E454 PolarHBondContact ND2-OE2 2.94Å; N452-E454 VanDerWaalsContact ND2-OE2 3.1Å; N452-E454 PolarHBondContact O-N 3.44Å; N452-T455 PolarHBondContact O-N 2.75Å; N452-T455 VanDerWaalsContact OD1-CB 3.27Å; N452-T455 WeakPolarHBondContact OD1-CB 3.45Å; N452-T455 PolarHBondContact OD1-N 3.23Å; N452-T455 VanDerWaalsContact OD1-N 3.14Å; N452-T455 PolarHBondContact OD1-OG1 2.9Å
453	P	94.5	Very high	94.9	Very high	30 Å²	30	36.6 Å²	36.6	20%	0.195	18%	0.183	C	C	.	.	H	α-helix	trans	-67.8	-25.8	-175.3	27.4	-35.3	0	0	0	113.1	E402 I404 T455 G456 D457	E402-P453 WeakPolarHBondContact OE2-CD 3.4Å; I404-P453 HydrophobicContact CD1-CG 4.07Å; P453-T455 VanDerWaalsContact C-N 3.3Å; P453-T455 PolarHBondContact O-N 3.27Å; P453-G456 CarbonylContact O-C 3.57Å; P453-G456 VanDerWaalsContact O-CA 3.28Å; P453-G456 WeakPolarHBondContact O-CA 3.43Å; P453-G456 PolarHBondContact O-N 3.03Å; P453-D457 PolarHBondContact O-N 3.44Å
454	E	94.5	Very high	94.7	Very high	105 Å²	105	35.4 Å²	35.4	49%	0.491	18%	0.177	S	C	.	.	H	α-helix	trans	-64.8	-35.6	176.7	-58.1	76.9	-169.7	0	0	111.7	N452 G456 D457 L458	N452-E454 VanDerWaalsContact C-N 3.29Å; N452-E454 WeakPolarHBondContact CB-OE2 3.46Å; N452-E454 PolarHBondContact ND2-OE2 2.94Å; N452-E454 VanDerWaalsContact ND2-OE2 3.1Å; N452-E454 PolarHBondContact O-N 3.44Å; E454-G456 VanDerWaalsContact C-N 3.25Å; E454-G456 PolarHBondContact O-N 3.07Å; E454-D457 PolarHBondContact O-N 3.46Å; E454-L458 WeakPolarHBondContact O-CB 3.49Å; E454-L458 WeakPolarHBondContact O-CD1 3.31Å; E454-L458 WeakPolarHBondContact O-CG 3.12Å; E454-L458 PolarHBondContact O-N 3.44Å
455	T	95	Very high	94.2	Very high	7 Å²	7	36.8 Å²	36.8	4%	0.043	19%	0.192	C	C	.	.	H	α-helix	trans	-62.4	-37.5	170.2	-60.8	0	0	0	0	110.7	G431 V450 N452 P453 L458 I459	G431-T455 WeakPolarHBondContact CA-OG1 3.4Å; V450-T455 HydrophobicContact CB-CG2 3.78Å; V450-T455 HydrophobicContact CG1-CG2 3.85Å; V450-T455 HydrophobicContact CG2-CG2 4.1Å; N452-T455 PolarHBondContact O-N 2.75Å; N452-T455 VanDerWaalsContact OD1-CB 3.27Å; N452-T455 WeakPolarHBondContact OD1-CB 3.45Å; N452-T455 PolarHBondContact OD1-N 3.23Å; N452-T455 VanDerWaalsContact OD1-N 3.14Å; N452-T455 PolarHBondContact OD1-OG1 2.9Å; P453-T455 VanDerWaalsContact C-N 3.3Å; P453-T455 PolarHBondContact O-N 3.27Å; T455-L458 PolarHBondContact O-N 3.17Å; T455-I459 HydrophobicContact CG2-CD1 3.74Å; T455-I459 HydrophobicContact CG2-CG1 4.45Å; T455-I459 WeakPolarHBondContact O-CD1 3.39Å; T455-I459 VanDerWaalsContact O-CG1 3.27Å; T455-I459 WeakPolarHBondContact O-CG1 3.07Å; T455-I459 PolarHBondContact O-N 3.34Å
456	G	95.1	Very high	93.9	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.1	-53	174.7	0	0	0	0	0	112.3	P453 E454 L458 I459 H460	P453-G456 CarbonylContact O-C 3.57Å; P453-G456 VanDerWaalsContact O-CA 3.28Å; P453-G456 WeakPolarHBondContact O-CA 3.43Å; P453-G456 PolarHBondContact O-N 3.03Å; E454-G456 VanDerWaalsContact C-N 3.25Å; E454-G456 PolarHBondContact O-N 3.07Å; G456-L458 VanDerWaalsContact C-N 3.33Å; G456-L458 PolarHBondContact O-N 3.07Å; G456-I459 PolarHBondContact O-N 2.74Å; G456-H460 WeakPolarHBondContact O-CB 3.33Å; G456-H460 PolarHBondContact O-N 2.59Å
457	D	95.6	Very high	93.6	Very high	75 Å²	75	37 Å²	37	40%	0.401	20%	0.2	S	C	.	.	H	α-helix	trans	-57.6	-42.3	176.8	-98.9	-18.8	0	0	0	112.8	P453 E454 R461 H477	P453-D457 PolarHBondContact O-N 3.44Å; E454-D457 PolarHBondContact O-N 3.46Å; D457-R461 WeakPolarHBondContact O-CB 3.14Å; D457-R461 PolarHBondContact O-N 3.11Å; D457-H477 PolarHBondContact N-NE2 2.99Å; D457-H477 IonicContact OD1-CE1 3.52Å; D457-H477 PolarHBondContact OD1-CE1 2.85Å; D457-H477 VanDerWaalsContact OD1-CE1 3.22Å; D457-H477 IonicContact OD1-NE2 2.8Å
458	L	95.6	Very high	93.4	Very high	32 Å²	32	36.9 Å²	36.9	17%	0.168	20%	0.199	C	C	.	.	H	α-helix	trans	-65.5	-45	178.5	-70.1	164.2	0	0	0	111.3	Y430 E454 T455 G456 R461 Y462 I521	Y430-L458 HydrophobicContact CD1-CB 4.16Å; E454-L458 WeakPolarHBondContact O-CB 3.49Å; E454-L458 WeakPolarHBondContact O-CD1 3.31Å; E454-L458 WeakPolarHBondContact O-CG 3.12Å; E454-L458 PolarHBondContact O-N 3.44Å; T455-L458 PolarHBondContact O-N 3.17Å; G456-L458 VanDerWaalsContact C-N 3.33Å; G456-L458 PolarHBondContact O-N 3.07Å; L458-R461 PolarHBondContact O-N 2.87Å; L458-Y462 HydrophobicContact CB-CD2 4.3Å; L458-Y462 HydrophobicContact CB-CE2 4.39Å; L458-Y462 HydrophobicContact CD2-CD2 4.43Å; L458-Y462 HydrophobicContact CD2-CE2 3.74Å; L458-Y462 VanDerWaalsContact O-CB 3.31Å; L458-Y462 WeakPolarHBondContact O-CB 3.16Å; L458-Y462 WeakPolarHBondContact O-CD2 3.5Å; L458-Y462 PolarHBondContact O-N 3.44Å; L458-I521 HydrophobicContact CD1-CD1 4.15Å; L458-I521 HydrophobicContact CD1-CG2 4.23Å
459	I	96.4	Very high	93.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.3	-47.3	177.3	-69.6	163.8	0	0	0	110.6	L409 I427 Y430 V450 T455 G456 R461 Y462 F463 F475	L409-I459 HydrophobicContact CD1-CB 3.78Å; L409-I459 HydrophobicContact CD1-CD1 4.08Å; L409-I459 HydrophobicContact CD1-CG2 3.5Å; I427-I459 HydrophobicContact CB-CD1 3.81Å; I427-I459 HydrophobicContact CB-CG1 4.28Å; I427-I459 HydrophobicContact CG2-CD1 4.25Å; I427-I459 HydrophobicContact CG2-CG1 4.45Å; I427-I459 HydrophobicContact CG2-CG2 4.27Å; Y430-I459 HydrophobicContact CD2-CG1 4.29Å; Y430-I459 HydrophobicContact CG-CG1 4.28Å; V450-I459 HydrophobicContact CG1-CD1 3.8Å; T455-I459 HydrophobicContact CG2-CD1 3.74Å; T455-I459 HydrophobicContact CG2-CG1 4.45Å; T455-I459 WeakPolarHBondContact O-CD1 3.39Å; T455-I459 VanDerWaalsContact O-CG1 3.27Å; T455-I459 WeakPolarHBondContact O-CG1 3.07Å; T455-I459 PolarHBondContact O-N 3.34Å; G456-I459 PolarHBondContact O-N 2.74Å; I459-R461 PolarHBondContact O-N 3.35Å; I459-Y462 PolarHBondContact O-N 3.25Å; I459-F463 HydrophobicContact CG2-CD2 4Å; I459-F463 WeakPolarHBondContact O-CB 3.28Å; I459-F463 PolarHBondContact O-N 3.49Å; I459-F475 HydrophobicContact CG2-CB 4.08Å; I459-F475 HydrophobicContact CG2-CD1 3.62Å; I459-F475 HydrophobicContact CG2-CD2 3.7Å; I459-F475 HydrophobicContact CG2-CE1 3.85Å; I459-F475 HydrophobicContact CG2-CE2 3.92Å; I459-F475 HydrophobicContact CG2-CG 3.54Å; I459-F475 HydrophobicContact CG2-CZ 3.99Å
460	H	94.7	Very high	92.9	Very high	65 Å²	65	41.3 Å²	41.3	30%	0.301	24%	0.235	S	C	.	.	H	α-helix	trans	-55.8	-49.7	176.2	173.3	60.4	0	0	0	111.3	G456 S464 F475	G456-H460 WeakPolarHBondContact O-CB 3.33Å; G456-H460 PolarHBondContact O-N 2.59Å; H460-S464 VanDerWaalsContact O-CB 3.28Å; H460-S464 WeakPolarHBondContact O-CB 3.47Å; H460-S464 PolarHBondContact O-N 3.21Å; H460-F475 PolarHBondContact ND1-O 3.14Å
461	R	94.6	Very high	92.7	Very high	154 Å²	154	45.2 Å²	45.2	58%	0.581	25%	0.253	S	S	*	.	H	α-helix	trans	-64.3	-43.5	-178.8	-173.8	-177.4	-55.1	157.5	10	113.2	D457 L458 I459	D457-R461 WeakPolarHBondContact O-CB 3.14Å; D457-R461 PolarHBondContact O-N 3.11Å; L458-R461 PolarHBondContact O-N 2.87Å; I459-R461 PolarHBondContact O-N 3.35Å
462	Y	94.5	Very high	92.7	Very high	61 Å²	61	47.9 Å²	47.9	24%	0.239	27%	0.269	C	S	.	.	H	α-helix	trans	-86.3	-24.4	-171.7	-73.5	-48.9	0	0	0	114.7	Y430 L458 I459 V466 E523	Y430-Y462 AromaticContact CD1-CD2 3.76Å; Y430-Y462 HydrophobicContact CD1-CD2 3.76Å; Y430-Y462 HydrophobicContact CD1-CE2 4.1Å; Y430-Y462 AromaticContact CE1-CD2 3.23Å; Y430-Y462 HydrophobicContact CE1-CD2 3.23Å; Y430-Y462 AromaticContact CE1-CE2 3.65Å; Y430-Y462 HydrophobicContact CE1-CE2 3.65Å; Y430-Y462 HydrophobicContact CE1-CG 4.1Å; L458-Y462 HydrophobicContact CB-CD2 4.3Å; L458-Y462 HydrophobicContact CB-CE2 4.39Å; L458-Y462 HydrophobicContact CD2-CD2 4.43Å; L458-Y462 HydrophobicContact CD2-CE2 3.74Å; L458-Y462 VanDerWaalsContact O-CB 3.31Å; L458-Y462 WeakPolarHBondContact O-CB 3.16Å; L458-Y462 WeakPolarHBondContact O-CD2 3.5Å; L458-Y462 PolarHBondContact O-N 3.44Å; I459-Y462 PolarHBondContact O-N 3.25Å; Y462-V466 WeakPolarHBondContact O-CG2 3.34Å; Y462-E523 HydrophobicContact CD1-CB 3.79Å; Y462-E523 HydrophobicContact CE1-CB 3.45Å; Y462-E523 VanDerWaalsContact CE1-CB 3.45Å
463	F	92.9	Very high	92.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-104.1	-5.9	179.6	-67.3	-67.4	0	0	0	114.7	L426 Y430 I459 G465 V466 I473 F475 P524 L582	L426-F463 HydrophobicContact CD1-CD1 4.44Å; L426-F463 HydrophobicContact CD1-CE1 3.49Å; L426-F463 VanDerWaalsContact CD1-CE1 3.49Å; L426-F463 HydrophobicContact CD1-CZ 3.59Å; L426-F463 HydrophobicContact CD2-CD1 4.44Å; L426-F463 HydrophobicContact CD2-CE1 4.18Å; L426-F463 HydrophobicContact CD2-CZ 4.33Å; L426-F463 HydrophobicContact CG-CE1 3.83Å; L426-F463 HydrophobicContact CG-CE2 4.23Å; L426-F463 HydrophobicContact CG-CZ 3.63Å; Y430-F463 AromaticContact CD2-CE2 3.95Å; Y430-F463 HydrophobicContact CD2-CE2 3.95Å; Y430-F463 AromaticContact CE2-CE2 3.46Å; Y430-F463 HydrophobicContact CE2-CE2 3.46Å; Y430-F463 VanDerWaalsContact CE2-CE2 3.46Å; Y430-F463 AromaticContact CE2-CZ 3.66Å; Y430-F463 HydrophobicContact CE2-CZ 3.66Å; I459-F463 HydrophobicContact CG2-CD2 4Å; I459-F463 WeakPolarHBondContact O-CB 3.28Å; I459-F463 PolarHBondContact O-N 3.49Å; F463-G465 PolarHBondContact O-N 2.93Å; F463-G465 VanDerWaalsContact O-N 3.07Å; F463-V466 HydrophobicContact CD1-CB 4.26Å; F463-V466 HydrophobicContact CD1-CG1 4.15Å; F463-V466 HydrophobicContact CD1-CG2 4.32Å; F463-V466 WeakPolarHBondContact O-CB 3.41Å; F463-V466 PolarHBondContact O-N 3.23Å; F463-I473 HydrophobicContact CB-CD1 4.46Å; F463-I473 HydrophobicContact CD1-CD1 4.31Å; F463-F475 HydrophobicContact CB-CD2 3.66Å; F463-F475 HydrophobicContact CB-CE2 3.61Å; F463-F475 HydrophobicContact CD2-CD2 4.5Å; F463-F475 HydrophobicContact CD2-CE2 4.03Å; F463-F475 HydrophobicContact CG-CD2 4.4Å; F463-F475 AromaticContact CG-CE2 3.93Å; F463-F475 HydrophobicContact CG-CE2 3.93Å; F463-P524 HydrophobicContact CE1-CG 4.08Å; F463-P524 HydrophobicContact CZ-CG 4.47Å; F463-L582 HydrophobicContact CE1-CD2 4.17Å
464	S	86.5	Confident	92.7	Very high	75 Å²	75	48 Å²	48	52%	0.524	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	113.5	172	-175.8	0	0	0	0	111.3	H460	H460-S464 VanDerWaalsContact O-CB 3.28Å; H460-S464 WeakPolarHBondContact O-CB 3.47Å; H460-S464 PolarHBondContact O-N 3.21Å
465	G	81.5	Confident	92.7	Very high	50 Å²	50	43 Å²	43	52%	0.515	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	6.1	180	0	0	0	0	0	115.3	F463	F463-G465 PolarHBondContact O-N 2.93Å; F463-G465 VanDerWaalsContact O-N 3.07Å
466	V	89.2	Confident	92.7	Very high	18 Å²	18	45.8 Å²	45.8	11%	0.109	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	132	-179.2	171.4	0	0	0	0	111.4	Y462 F463 V468 V472 I473 L582	Y462-V466 WeakPolarHBondContact O-CG2 3.34Å; F463-V466 HydrophobicContact CD1-CB 4.26Å; F463-V466 HydrophobicContact CD1-CG1 4.15Å; F463-V466 HydrophobicContact CD1-CG2 4.32Å; F463-V466 WeakPolarHBondContact O-CB 3.41Å; F463-V466 PolarHBondContact O-N 3.23Å; V466-V468 HydrophobicContact CG1-CG1 4.48Å; V466-V472 WeakPolarHBondContact O-CA 3.45Å; V466-I473 WeakPolarHBondContact O-CG1 3.27Å; V466-I473 PolarHBondContact O-N 3.31Å; V466-L582 HydrophobicContact CG1-CD1 3.22Å
467	C	91.5	Very high	92.7	Very high	41 Å²	41	48.7 Å²	48.7	28%	0.277	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	128	178.4	-171.1	0	0	0	0	112.1	Q471 V472 T579	C467-Q471 CarbonylContact C-O 3.54Å; C467-Q471 WeakPolarHBondContact CA-O 3.27Å; C467-V472 HydrophobicContact CB-CG2 4.27Å; C467-T579 WeakPolarHBondContact O-CB 3.33Å; C467-T579 WeakPolarHBondContact O-CG2 3.37Å; C467-T579 PolarHBondContact O-OG1 2.95Å
468	V	92.9	Very high	92.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	136.4	171.6	-67.6	0	0	0	0	110.5	P415 M418 V466 G470 Q471 I473 L582 E583 I586	P415-V468 HydrophobicContact CG-CG2 4.49Å; P415-V468 WeakPolarHBondContact CG-O 3.44Å; M418-V468 HydrophobicContact SD-CG2 4.41Å; V466-V468 HydrophobicContact CG1-CG1 4.48Å; V468-G470 PolarHBondContact O-N 3.41Å; V468-G470 VanDerWaalsContact O-N 3.16Å; V468-Q471 PolarHBondContact N-O 2.84Å; V468-Q471 PolarHBondContact O-N 3.22Å; V468-I473 HydrophobicContact CG2-CD1 3.92Å; V468-I473 HydrophobicContact CG2-CG1 4.15Å; V468-I473 HydrophobicContact CG2-CG2 3.7Å; V468-L582 HydrophobicContact CG1-CB 3.66Å; V468-L582 HydrophobicContact CG1-CD1 4.08Å; V468-E583 HydrophobicContact CB-CG 4.49Å; V468-I586 HydrophobicContact CB-CD1 4.21Å; V468-I586 HydrophobicContact CG1-CD1 4.05Å; V468-I586 HydrophobicContact CG2-CD1 4.39Å
469	F	93.5	Very high	92.3	Very high	39 Å²	39	49.1 Å²	49.1	17%	0.171	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.2	38.8	-175.1	-49.6	-61.6	0	0	0	113.5	P415 R417 M418 Q471 E583 I586 L587	P415-F469 HydrophobicContact CB-CB 3.92Å; P415-F469 HydrophobicContact CB-CD2 4.25Å; P415-F469 HydrophobicContact CG-CB 3.83Å; P415-F469 HydrophobicContact CG-CD2 4.1Å; P415-F469 HydrophobicContact CG-CG 4.48Å; R417-F469 HydrophobicContact CG-CB 4.5Å; R417-F469 HydrophobicContact CG-CD2 4.28Å; R417-F469 HydrophobicContact CG-CG 4.26Å; M418-F469 HydrophobicContact CG-CD2 4.04Å; M418-F469 HydrophobicContact CG-CE2 4.03Å; M418-F469 HydrophobicContact SD-CD2 4.1Å; M418-F469 HydrophobicContact SD-CE2 4.16Å; F469-Q471 VanDerWaalsContact C-N 3.31Å; F469-Q471 PolarHBondContact O-N 2.89Å; F469-E583 VanDerWaalsContact CA-OE1 3.23Å; F469-E583 WeakPolarHBondContact CA-OE1 3.36Å; F469-E583 HydrophobicContact CD1-CB 4.22Å; F469-E583 HydrophobicContact CD1-CG 3.54Å; F469-E583 WeakPolarHBondContact CD1-OE2 3.26Å; F469-E583 HydrophobicContact CE1-CB 3.45Å; F469-E583 VanDerWaalsContact CE1-CB 3.45Å; F469-E583 HydrophobicContact CE1-CG 3.27Å; F469-E583 WeakPolarHBondContact CE1-OE2 3.3Å; F469-E583 HydrophobicContact CE2-CG 4.33Å; F469-E583 HydrophobicContact CG-CG 4.17Å; F469-E583 HydrophobicContact CZ-CB 3.77Å; F469-E583 HydrophobicContact CZ-CG 3.69Å; F469-E583 PolarHBondContact N-OE1 3.21Å; F469-I586 HydrophobicContact CE2-CB 4.37Å; F469-I586 HydrophobicContact CE2-CD1 3.91Å; F469-I586 HydrophobicContact CE2-CG2 3.95Å; F469-I586 HydrophobicContact CZ-CB 4.33Å; F469-I586 HydrophobicContact CZ-CD1 4.43Å; F469-I586 HydrophobicContact CZ-CG2 4.14Å; F469-L587 HydrophobicContact CE1-CD1 3.83Å; F469-L587 HydrophobicContact CE1-CG 4.46Å; F469-L587 HydrophobicContact CZ-CD1 3.85Å; F469-L587 HydrophobicContact CZ-CG 3.98Å
470	G	89.8	Confident	92.1	Very high	58 Å²	58	49.8 Å²	49.8	60%	0.598	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	4.6	-179.1	0	0	0	0	0	115.9	V468	V468-G470 PolarHBondContact O-N 3.41Å; V468-G470 VanDerWaalsContact O-N 3.16Å
471	Q	92.1	Very high	92	Very high	81 Å²	81	49.7 Å²	49.7	38%	0.379	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	136.6	175.4	-64.2	-58.6	-20.4	0	0	112.5	N413 P415 C467 V468 F469 I473	N413-Q471 PolarHBondContact ND2-OE1 3.11Å; N413-Q471 WeakPolarHBondContact O-CB 3.44Å; N413-Q471 PolarHBondContact OD1-OE1 2.72Å; P415-Q471 HydrophobicContact CG-CB 3.98Å; P415-Q471 HydrophobicContact CG-CG 4.21Å; C467-Q471 CarbonylContact C-O 3.54Å; C467-Q471 WeakPolarHBondContact CA-O 3.27Å; V468-Q471 PolarHBondContact N-O 2.84Å; V468-Q471 PolarHBondContact O-N 3.22Å; F469-Q471 VanDerWaalsContact C-N 3.31Å; F469-Q471 PolarHBondContact O-N 2.89Å; Q471-I473 PolarHBondContact O-N 2.72Å
472	V	93.2	Very high	91.9	Very high	60 Å²	60	46 Å²	46	36%	0.364	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	103.7	169.8	178.7	0	0	0	0	108.2	N413 V466 C467	N413-V472 WeakPolarHBondContact CB-O 3.46Å; N413-V472 PolarHBondContact ND2-O 2.96Å; V466-V472 WeakPolarHBondContact O-CA 3.45Å; C467-V472 HydrophobicContact CB-CG2 4.27Å
473	I	93.7	Very high	91.8	Very high	6 Å²	6	43.1 Å²	43.1	3%	0.031	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	151.1	176.5	57.5	171.1	0	0	0	110.4	L426 F463 V466 V468 Q471 F475	L426-I473 HydrophobicContact CD2-CD1 3.67Å; F463-I473 HydrophobicContact CB-CD1 4.46Å; F463-I473 HydrophobicContact CD1-CD1 4.31Å; V466-I473 WeakPolarHBondContact O-CG1 3.27Å; V466-I473 PolarHBondContact O-N 3.31Å; V468-I473 HydrophobicContact CG2-CD1 3.92Å; V468-I473 HydrophobicContact CG2-CG1 4.15Å; V468-I473 HydrophobicContact CG2-CG2 3.7Å; Q471-I473 PolarHBondContact O-N 2.72Å; I473-F475 HydrophobicContact CD1-CE2 3.98Å
474	Q	93.4	Very high	91.6	Very high	80 Å²	80	49.4 Å²	49.4	37%	0.374	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	150.5	173.2	-61.2	-179.5	-17.8	0	0	109.8	A411 S412	A411-Q474 CarbonylContact C-O 3.48Å; A411-Q474 WeakPolarHBondContact CA-O 3.39Å; S412-Q474 PolarHBondContact N-O 3.16Å; S412-Q474 PolarHBondContact O-N 3.43Å
475	F	95.7	Very high	91.7	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.009	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	139.2	172.7	-65.5	-98	0	0	0	108.6	L409 M410 A411 L423 I427 I459 H460 F463 I473	L409-F475 HydrophobicContact CB-CD1 4.27Å; L409-F475 HydrophobicContact CD1-CB 4.2Å; L409-F475 HydrophobicContact CD1-CD1 3.94Å; L409-F475 HydrophobicContact CD1-CG 4.39Å; M410-F475 CarbonylContact O-C 3.37Å; M410-F475 WeakPolarHBondContact O-CA 3.46Å; A411-F475 HydrophobicContact CB-CD1 3.66Å; A411-F475 HydrophobicContact CB-CE1 3.64Å; A411-F475 HydrophobicContact CB-CG 4.46Å; A411-F475 HydrophobicContact CB-CZ 4.42Å; L423-F475 HydrophobicContact CD1-CE1 4.17Å; L423-F475 HydrophobicContact CD1-CZ 3.92Å; I427-F475 HydrophobicContact CG2-CE1 4.12Å; I427-F475 HydrophobicContact CG2-CZ 3.81Å; I459-F475 HydrophobicContact CG2-CB 4.08Å; I459-F475 HydrophobicContact CG2-CD1 3.62Å; I459-F475 HydrophobicContact CG2-CD2 3.7Å; I459-F475 HydrophobicContact CG2-CE1 3.85Å; I459-F475 HydrophobicContact CG2-CE2 3.92Å; I459-F475 HydrophobicContact CG2-CG 3.54Å; I459-F475 HydrophobicContact CG2-CZ 3.99Å; H460-F475 PolarHBondContact ND1-O 3.14Å; F463-F475 HydrophobicContact CB-CD2 3.66Å; F463-F475 HydrophobicContact CB-CE2 3.61Å; F463-F475 HydrophobicContact CD2-CD2 4.5Å; F463-F475 HydrophobicContact CD2-CE2 4.03Å; F463-F475 HydrophobicContact CG-CD2 4.4Å; F463-F475 AromaticContact CG-CE2 3.93Å; F463-F475 HydrophobicContact CG-CE2 3.93Å; I473-F475 HydrophobicContact CD1-CE2 3.98Å
476	H	95.1	Very high	91.8	Very high	65 Å²	65	49.3 Å²	49.3	30%	0.301	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	141.2	178.2	-59	-81	0	0	0	110.1	L409 M410 L660	L409-H476 CarbonylContact C-O 3.56Å; L409-H476 VanDerWaalsContact CA-O 3.29Å; L409-H476 WeakPolarHBondContact CA-O 3.45Å; M410-H476 PolarHBondContact N-O 3.38Å; M410-H476 PolarHBondContact O-N 3.49Å; H476-L660 HydrophobicContact CB-CD2 4.41Å
477	H	93.6	Very high	91.6	Very high	60 Å²	60	54.3 Å²	54.3	28%	0.278	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	141.3	174.8	-61.3	107.4	0	0	0	111.4	L409 D457	L409-H477 VanDerWaalsContact CD2-CD2 3.47Å; L409-H477 WeakPolarHBondContact CD2-CD2 3.43Å; D457-H477 PolarHBondContact N-NE2 2.99Å; D457-H477 IonicContact OD1-CE1 3.52Å; D457-H477 PolarHBondContact OD1-CE1 2.85Å; D457-H477 VanDerWaalsContact OD1-CE1 3.22Å; D457-H477 IonicContact OD1-NE2 2.8Å
478	S	93.3	Very high	90.9	Very high	10 Å²	10	59.2 Å²	59.2	7%	0.07	30%	0.302	C	S	.	.			trans	-112	149.4	177.2	-174.2	0	0	0	0	110.9	V408 I480	V408-S478 VanDerWaalsContact O-CB 3.29Å; V408-S478 WeakPolarHBondContact O-CB 3.49Å; V408-S478 PolarHBondContact O-N 2.89Å; S478-I480 PolarHBondContact O-N 2.78Å; S478-I480 WeakPolarHBondContact OG-CG1 3.26Å; S478-I480 PolarHBondContact OG-N 2.89Å
479	K	91.2	Very high	90.6	Very high	107 Å²	107	60.7 Å²	60.7	47%	0.465	31%	0.31	S	S	.	.	S	Bend	trans	-70.7	-4	171.5	-53	-178.3	-172.5	175.1	0	113.1	D661	K479-D661 IonicContact NZ-OD1 3.85Å; K479-D661 PolarHBondContact NZ-OD1 3.13Å
480	I	91.7	Very high	90.3	Very high	14 Å²	14	60.6 Å²	60.6	7%	0.072	32%	0.32	C	S	.	.			trans	-80.4	133.1	177.9	-58.8	166.1	0	0	0	108.5	V408 M447 S478 E482 L483	V408-I480 HydrophobicContact CB-CB 4.27Å; V408-I480 VanDerWaalsContact CB-O 3.25Å; V408-I480 WeakPolarHBondContact CB-O 3.37Å; V408-I480 HydrophobicContact CG1-CB 4.3Å; V408-I480 HydrophobicContact CG2-CB 4.34Å; V408-I480 HydrophobicContact CG2-CG2 4.15Å; V408-I480 WeakPolarHBondContact CG2-O 3.17Å; M447-I480 HydrophobicContact CE-CD1 4.38Å; M447-I480 HydrophobicContact SD-CD1 3.59Å; M447-I480 VanDerWaalsContact SD-CD1 3.59Å; S478-I480 PolarHBondContact O-N 2.78Å; S478-I480 WeakPolarHBondContact OG-CG1 3.26Å; S478-I480 PolarHBondContact OG-N 2.89Å; I480-E482 VanDerWaalsContact CG2-O 3.3Å; I480-E482 WeakPolarHBondContact CG2-O 3.29Å; I480-L483 HydrophobicContact CG2-CD2 4.37Å
481	T	92.1	Very high	90.4	Very high	63 Å²	63	61.5 Å²	61.5	39%	0.387	31%	0.314	S	S	.	.	S	Bend	trans	-99.7	-21.3	-177.6	62.3	0	0	0	0	114.1	A403 V407	A403-T481 WeakPolarHBondContact CA-O 3.2Å; V407-T481 WeakPolarHBondContact CG2-O 3.42Å
482	E	92.8	Very high	90.3	Very high	76 Å²	76	59.4 Å²	59.4	36%	0.355	31%	0.305	S	S	.	.	S	Bend	trans	-149.6	138.4	173.6	179.5	175.8	-153.4	0	0	109.9	R435 I480	R435-E482 IonicContact CZ-OE1 3.49Å; R435-E482 VanDerWaalsContact CZ-OE1 3.27Å; R435-E482 VanDerWaalsContact NH1-CG 3.32Å; R435-E482 IonicContact NH1-OE1 3.83Å; R435-E482 PolarHBondContact NH1-OE1 3.37Å; R435-E482 IonicContact NH2-OE1 2.72Å; R435-E482 PolarHBondContact NH2-OE1 2.86Å; I480-E482 VanDerWaalsContact CG2-O 3.3Å; I480-E482 WeakPolarHBondContact CG2-O 3.29Å
483	L	92.6	Very high	90	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-83.1	123.9	172.8	-69.5	179.6	0	0	0	111.3	V408 R435 M447 Q449 I480 M499	V408-L483 HydrophobicContact CG1-CD1 4.44Å; V408-L483 HydrophobicContact CG1-CD2 3.86Å; V408-L483 HydrophobicContact CG1-CG 4.1Å; V408-L483 HydrophobicContact CG2-CG 4.22Å; R435-L483 HydrophobicContact CB-CB 4.34Å; R435-L483 HydrophobicContact CB-CD1 4.45Å; R435-L483 VanDerWaalsContact CD-O 3.28Å; R435-L483 WeakPolarHBondContact CD-O 3.29Å; R435-L483 PolarHBondContact NH1-O 3Å; M447-L483 HydrophobicContact CB-CD1 3.91Å; M447-L483 HydrophobicContact CB-CD2 3.66Å; M447-L483 HydrophobicContact CB-CG 4.44Å; M447-L483 HydrophobicContact CE-CD2 3.69Å; M447-L483 HydrophobicContact CG-CD2 4.46Å; M447-L483 HydrophobicContact SD-CD2 4.07Å; Q449-L483 HydrophobicContact CB-CB 4.42Å; Q449-L483 HydrophobicContact CB-CD1 3.9Å; Q449-L483 HydrophobicContact CB-CG 4.03Å; Q449-L483 VanDerWaalsContact OE1-N 3.14Å; I480-L483 HydrophobicContact CG2-CD2 4.37Å; L483-M499 HydrophobicContact CB-CE 4.06Å
484	K	89	Confident	89.7	Confident	132 Å²	132	65.6 Å²	65.6	57%	0.574	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-85.9	133.1	-177.6	-65.1	-173.9	-179.9	-176.9	0	111.8	H486 M499	K484-H486 PolarHBondContact O-CD2 2.79Å; K484-H486 VanDerWaalsContact O-CD2 3.27Å; K484-M499 WeakPolarHBondContact O-CE 3.31Å
485	E	89	Confident	89.5	Confident	69 Å²	69	63.9 Å²	63.9	32%	0.322	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-76.8	125.1	171.6	-75.7	173.2	-129.7	0	0	109.4	I377 R435 M499 N501	I377-E485 HydrophobicContact CD1-CB 4.06Å; I377-E485 HydrophobicContact CD1-CG 4.18Å; I377-E485 HydrophobicContact CG1-CB 3.99Å; I377-E485 HydrophobicContact CG1-CG 4.05Å; I377-E485 HydrophobicContact CG2-CG 4.15Å; R435-E485 IonicContact CZ-OE1 3.27Å; R435-E485 IonicContact NE-OE1 2.82Å; R435-E485 PolarHBondContact NE-OE1 3.16Å; R435-E485 IonicContact NH2-OE1 2.91Å; E485-M499 HydrophobicContact CG-CE 3.88Å; E485-M499 HydrophobicContact CG-SD 4.28Å; E485-N501 PolarHBondContact OE1-ND2 3.31Å
486	H	83.8	Confident	89.3	Confident	55 Å²	55	63.8 Å²	63.8	26%	0.255	36%	0.355	S	S	.	.			trans	-120.9	137.9	178.4	-71.3	-88.9	0	0	0	109.7	I377 K484 L489 G671	I377-H486 VanDerWaalsContact CD1-O 3.3Å; I377-H486 WeakPolarHBondContact CD1-O 3.21Å; K484-H486 PolarHBondContact O-CD2 2.79Å; K484-H486 VanDerWaalsContact O-CD2 3.27Å; H486-L489 HydrophobicContact CB-CD1 4.32Å; H486-L489 HydrophobicContact CB-CD2 4.31Å; H486-L489 HydrophobicContact CB-CG 4.24Å; H486-L489 WeakPolarHBondContact O-CD1 3.48Å; H486-L489 WeakPolarHBondContact O-CG 3.49Å; H486-G671 VanDerWaalsContact CE1-CA 3.48Å; H486-G671 WeakPolarHBondContact CE1-CA 3.33Å
487	E	83	Confident	89.1	Confident	122 Å²	122	61 Å²	61	57%	0.57	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	155.3	179.7	-44	-152.4	115.1	0	0	111.6	S375 L489	S375-E487 WeakPolarHBondContact CB-OE1 3.09Å; S375-E487 WeakPolarHBondContact O-CA 3.49Å; S375-E487 PolarHBondContact OG-OE1 3.23Å; E487-L489 VanDerWaalsContact C-N 3.27Å; E487-L489 PolarHBondContact O-N 2.9Å; E487-L489 VanDerWaalsContact O-N 3.16Å
488	N	77.8	Confident	89.2	Confident	144 Å²	144	58.2 Å²	58.2	77%	0.77	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	19.7	170.4	-54.9	-66.2	0	0	0	116.7	S375 G490	S375-N488 PolarHBondContact O-N 2.97Å; N488-G490 PolarHBondContact O-N 2.86Å; N488-G490 VanDerWaalsContact O-N 3.1Å
489	L	86	Confident	89.3	Confident	32 Å²	32	57.8 Å²	57.8	17%	0.168	33%	0.327	C	S	.	.			trans	-56.5	-24.7	170.8	-68.3	171.3	0	0	0	113.3	I377 K440 H486 E487 V498 M499	I377-L489 HydrophobicContact CD1-CD1 3.98Å; K440-L489 PolarHBondContact NZ-O 2.87Å; H486-L489 HydrophobicContact CB-CD1 4.32Å; H486-L489 HydrophobicContact CB-CD2 4.31Å; H486-L489 HydrophobicContact CB-CG 4.24Å; H486-L489 WeakPolarHBondContact O-CD1 3.48Å; H486-L489 WeakPolarHBondContact O-CG 3.49Å; E487-L489 VanDerWaalsContact C-N 3.27Å; E487-L489 PolarHBondContact O-N 2.9Å; E487-L489 VanDerWaalsContact O-N 3.16Å; L489-V498 HydrophobicContact CB-CB 4.17Å; L489-V498 HydrophobicContact CB-CG1 4.25Å; L489-M499 HydrophobicContact CD1-CB 3.65Å; L489-M499 HydrophobicContact CD1-CG 4.38Å; L489-M499 HydrophobicContact CD1-SD 3.84Å
490	G	87.9	Confident	89.4	Confident	36 Å²	36	53 Å²	53	37%	0.371	31%	0.306	S	S	.	.			trans	69.4	-155.9	177	0	0	0	0	0	113.6	N488 V498	N488-G490 PolarHBondContact O-N 2.86Å; N488-G490 VanDerWaalsContact O-N 3.1Å; G490-V498 WeakPolarHBondContact O-CB 3.46Å; G490-V498 VanDerWaalsContact O-CG2 3.26Å; G490-V498 WeakPolarHBondContact O-CG2 3.41Å; G490-V498 PolarHBondContact O-N 2.8Å
491	T	90.9	Very high	89.5	Confident	78 Å²	78	53.6 Å²	53.6	48%	0.479	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-108	163.1	-171.8	53.4	0	0	0	0	114.1	K440 G495 S496	K440-T491 WeakPolarHBondContact CE-O 3.27Å; K440-T491 PolarHBondContact NZ-O 2.63Å; T491-G495 WeakPolarHBondContact CG2-O 3.41Å; T491-S496 CarbonylContact C-O 3.58Å; T491-S496 WeakPolarHBondContact CA-O 3.48Å; T491-S496 WeakPolarHBondContact CB-O 3.07Å
492	L	91.2	Very high	89.6	Confident	37 Å²	37	50.6 Å²	50.6	19%	0.194	29%	0.291	C	S	.	.			trans	-84.7	177.9	165.3	-63.4	174.8	0	0	0	110.5	N419 F438 D494 G495 S496 V498	N419-L492 HydrophobicContact CB-CD1 4Å; F438-L492 HydrophobicContact CB-CD1 4.33Å; F438-L492 HydrophobicContact CB-CD2 3.86Å; F438-L492 HydrophobicContact CD1-CD1 4.21Å; F438-L492 HydrophobicContact CD1-CD2 4.39Å; F438-L492 HydrophobicContact CD2-CD1 4.16Å; F438-L492 HydrophobicContact CG-CD1 3.97Å; F438-L492 HydrophobicContact CG-CD2 4.24Å; L492-D494 WeakPolarHBondContact CB-OD1 3.1Å; L492-D494 PolarHBondContact O-N 2.74Å; L492-G495 PolarHBondContact O-N 2.8Å; L492-S496 PolarHBondContact N-O 2.9Å; L492-V498 HydrophobicContact CD2-CG2 3.94Å; L492-V498 HydrophobicContact CG-CG2 4.17Å
493	A	87.3	Confident	89.5	Confident	110 Å²	110	47.8 Å²	47.8	91%	0.909	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.2	-175.3	0	0	0	0	0	114.6	G495	A493-G495 VanDerWaalsContact C-N 3.33Å
494	D	87.2	Confident	89.2	Confident	85 Å²	85	51.5 Å²	51.5	46%	0.455	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	0.1	173.6	67.2	-15.3	0	0	0	113.3	N419 L492 S496	N419-D494 WeakPolarHBondContact CB-OD2 3.25Å; N419-D494 PolarHBondContact ND2-OD2 2.83Å; L492-D494 WeakPolarHBondContact CB-OD1 3.1Å; L492-D494 PolarHBondContact O-N 2.74Å; D494-S496 VanDerWaalsContact C-N 3.31Å; D494-S496 VanDerWaalsContact CG-OG 3.26Å; D494-S496 VanDerWaalsContact OD1-CB 3.23Å; D494-S496 WeakPolarHBondContact OD1-CB 3.26Å; D494-S496 PolarHBondContact OD1-N 2.87Å; D494-S496 PolarHBondContact OD1-OG 2.85Å; D494-S496 PolarHBondContact OD2-OG 3.02Å
495	G	88.3	Confident	89.1	Confident	44 Å²	44	45.4 Å²	45.4	45%	0.454	27%	0.274	S	S	.	.	S	Bend	trans	82.7	-1.4	-174.1	0	0	0	0	0	114.7	T491 L492 A493	T491-G495 WeakPolarHBondContact CG2-O 3.41Å; L492-G495 PolarHBondContact O-N 2.8Å; A493-G495 VanDerWaalsContact C-N 3.33Å
496	S	91.1	Very high	89	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.007	28%	0.28	C	S	.	.			trans	-73.8	152.3	176	71.1	0	0	0	0	111.9	N419 T491 L492 D494	N419-S496 VanDerWaalsContact CB-OG 3.28Å; N419-S496 WeakPolarHBondContact CB-OG 3.24Å; T491-S496 CarbonylContact C-O 3.58Å; T491-S496 WeakPolarHBondContact CA-O 3.48Å; T491-S496 WeakPolarHBondContact CB-O 3.07Å; L492-S496 PolarHBondContact N-O 2.9Å; D494-S496 VanDerWaalsContact C-N 3.31Å; D494-S496 VanDerWaalsContact CG-OG 3.26Å; D494-S496 VanDerWaalsContact OD1-CB 3.23Å; D494-S496 WeakPolarHBondContact OD1-CB 3.26Å; D494-S496 PolarHBondContact OD1-N 2.87Å; D494-S496 PolarHBondContact OD1-OG 2.85Å; D494-S496 PolarHBondContact OD2-OG 3.02Å
497	P	92.4	Very high	89.3	Confident	5 Å²	5	42.9 Å²	42.9	3%	0.032	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-62.9	137.1	177.5	-26.4	36.8	0	0	0	113.2	H370 V372 C420 M499	H370-P497 VanDerWaalsContact CB-CD 3.43Å; H370-P497 HydrophobicContact CB-CG 4.16Å; V372-P497 HydrophobicContact CG1-CB 4.38Å; V372-P497 HydrophobicContact CG1-CG 3.57Å; C420-P497 PolarHBondContact SG-O 3.31Å; P497-M499 WeakPolarHBondContact CB-O 3.49Å; P497-M499 PolarHBondContact O-N 3.14Å
498	V	94.6	Very high	89.6	Confident	3 Å²	3	37.2 Å²	37.2	2%	0.018	24%	0.242	C	C	.	.	S	Bend	trans	-57.9	-30.8	175.9	168	0	0	0	0	112.6	F438 K440 L489 G490 L492	F438-V498 HydrophobicContact CB-CG1 4.45Å; F438-V498 PolarHBondContact N-O 3.31Å; F438-V498 WeakPolarHBondContact O-CG1 3.16Å; K440-V498 HydrophobicContact CD-CG2 3.95Å; K440-V498 HydrophobicContact CG-CG2 4.23Å; L489-V498 HydrophobicContact CB-CB 4.17Å; L489-V498 HydrophobicContact CB-CG1 4.25Å; G490-V498 WeakPolarHBondContact O-CB 3.46Å; G490-V498 VanDerWaalsContact O-CG2 3.26Å; G490-V498 WeakPolarHBondContact O-CG2 3.41Å; G490-V498 PolarHBondContact O-N 2.8Å; L492-V498 HydrophobicContact CD2-CG2 3.94Å; L492-V498 HydrophobicContact CG-CG2 4.17Å
499	M	94.9	Very high	90.1	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	137.3	177.6	-171.8	167	-173.1	0	0	110.4	I377 G378 R435 I436 K437 L483 K484 E485 L489 P497	I377-M499 HydrophobicContact CD1-CB 4.11Å; I377-M499 HydrophobicContact CD1-CG 4.24Å; I377-M499 HydrophobicContact CD1-SD 4.05Å; I377-M499 HydrophobicContact CG2-CG 4.37Å; G378-M499 PolarHBondContact N-O 2.92Å; R435-M499 HydrophobicContact CB-CE 4.19Å; I436-M499 CarbonylContact O-C 3.59Å; I436-M499 VanDerWaalsContact O-CA 3.23Å; I436-M499 WeakPolarHBondContact O-CA 3.2Å; I436-M499 WeakPolarHBondContact O-CG 3.33Å; K437-M499 HydrophobicContact CB-CB 4.28Å; K437-M499 HydrophobicContact CB-CE 4.3Å; K437-M499 HydrophobicContact CB-CG 3.91Å; K437-M499 HydrophobicContact CB-SD 3.99Å; K437-M499 HydrophobicContact CD-SD 4.22Å; K437-M499 HydrophobicContact CG-CB 4.17Å; K437-M499 HydrophobicContact CG-CG 4.2Å; K437-M499 HydrophobicContact CG-SD 4.01Å; L483-M499 HydrophobicContact CB-CE 4.06Å; K484-M499 WeakPolarHBondContact O-CE 3.31Å; E485-M499 HydrophobicContact CG-CE 3.88Å; E485-M499 HydrophobicContact CG-SD 4.28Å; L489-M499 HydrophobicContact CD1-CB 3.65Å; L489-M499 HydrophobicContact CD1-CG 4.38Å; L489-M499 HydrophobicContact CD1-SD 3.84Å; P497-M499 WeakPolarHBondContact CB-O 3.49Å; P497-M499 PolarHBondContact O-N 3.14Å
500	K	94.5	Very high	90.1	Very high	5 Å²	5	32.3 Å²	32.3	2%	0.022	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	140.3	172.9	-84.7	-166.1	161	-150.8	0	112.5	G378 I379 C420 D421 R435 I436 Y502	G378-K500 CarbonylContact O-C 3.45Å; G378-K500 VanDerWaalsContact O-CA 3.23Å; G378-K500 WeakPolarHBondContact O-CA 3.4Å; I379-K500 WeakPolarHBondContact O-CD 3.27Å; I379-K500 WeakPolarHBondContact O-CE 3.45Å; I379-K500 PolarHBondContact O-NZ 2.81Å; C420-K500 HydrophobicContact CB-CB 3.8Å; C420-K500 HydrophobicContact CB-CD 3.89Å; C420-K500 HydrophobicContact CB-CG 3.9Å; D421-K500 WeakPolarHBondContact OD1-CD 3.32Å; D421-K500 WeakPolarHBondContact OD1-CE 3.48Å; D421-K500 IonicContact OD1-NZ 3.4Å; D421-K500 PolarHBondContact OD1-NZ 2.83Å; D421-K500 WeakPolarHBondContact OD2-CE 3.38Å; D421-K500 IonicContact OD2-NZ 3.8Å; D421-K500 PolarHBondContact OD2-NZ 2.94Å; R435-K500 VanDerWaalsContact CA-O 3.32Å; R435-K500 WeakPolarHBondContact CA-O 3.36Å; I436-K500 PolarHBondContact N-O 3.01Å; I436-K500 PolarHBondContact O-N 3.39Å; K500-Y502 HydrophobicContact CB-CD2 4.19Å; K500-Y502 HydrophobicContact CB-CE2 3.43Å; K500-Y502 VanDerWaalsContact CB-CE2 3.43Å; K500-Y502 HydrophobicContact CD-CE1 4.33Å; K500-Y502 HydrophobicContact CD-CE2 4.43Å; K500-Y502 WeakPolarHBondContact CD-OH 3.16Å
501	N	93.4	Very high	89.9	Confident	28 Å²	28	33.1 Å²	33.1	15%	0.15	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	123	169	-174.6	-42	0	0	0	110.1	I377 G378 G380 R435 E485 M503	I377-N501 HydrophobicContact CG2-CB 4.46Å; G378-N501 PolarHBondContact O-N 2.94Å; G380-N501 PolarHBondContact N-O 3Å; R435-N501 HydrophobicContact CG-CB 4.49Å; E485-N501 PolarHBondContact OE1-ND2 3.31Å; N501-M503 WeakPolarHBondContact OD1-CB 3.32Å; N501-M503 WeakPolarHBondContact OD1-CG 3.28Å; N501-M503 PolarHBondContact OD1-N 3.16Å
502	Y	93.8	Very high	89.1	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.204	C	C	.	.			trans	-112.1	0.6	-179.8	-64.5	-81.2	0	0	0	113.1	H381 C420 D421 F424 V433 A434 I436 K500 T504 D505 N508	H381-Y502 AromaticContact CE1-CE1 3.88Å; H381-Y502 AromaticContact ND1-CE1 3.93Å; C420-Y502 HydrophobicContact CB-CE2 4.28Å; C420-Y502 VanDerWaalsContact CB-OH 3.25Å; C420-Y502 WeakPolarHBondContact CB-OH 3.45Å; C420-Y502 PolarHBondContact O-OH 2.82Å; D421-Y502 WeakPolarHBondContact CA-OH 3.41Å; D421-Y502 PolarHBondContact N-OH 3.28Å; D421-Y502 VanDerWaalsContact N-OH 3.1Å; D421-Y502 WeakPolarHBondContact OD1-CE1 3.42Å; D421-Y502 PolarHBondContact OD1-OH 3.34Å; F424-Y502 HydrophobicContact CB-CD1 4.43Å; F424-Y502 HydrophobicContact CB-CE1 3.97Å; F424-Y502 HydrophobicContact CB-CE2 4.29Å; F424-Y502 AromaticContact CD2-CD1 3.38Å; F424-Y502 HydrophobicContact CD2-CD1 3.38Å; F424-Y502 HydrophobicContact CD2-CD2 4.01Å; F424-Y502 AromaticContact CD2-CE1 3.8Å; F424-Y502 HydrophobicContact CD2-CE1 3.8Å; F424-Y502 HydrophobicContact CD2-CE2 4.35Å; F424-Y502 AromaticContact CD2-CG 3.51Å; F424-Y502 HydrophobicContact CD2-CG 3.51Å; F424-Y502 AromaticContact CE2-CD1 3.66Å; F424-Y502 HydrophobicContact CE2-CD1 3.66Å; F424-Y502 HydrophobicContact CE2-CE1 4.43Å; F424-Y502 AromaticContact CE2-CG 3.84Å; F424-Y502 HydrophobicContact CE2-CG 3.84Å; F424-Y502 AromaticContact CG-CD1 3.91Å; F424-Y502 HydrophobicContact CG-CD1 3.91Å; F424-Y502 AromaticContact CG-CE1 3.85Å; F424-Y502 HydrophobicContact CG-CE1 3.85Å; F424-Y502 HydrophobicContact CG-CG 4.38Å; F424-Y502 HydrophobicContact CZ-CD1 4.38Å; V433-Y502 HydrophobicContact CG1-CD2 4.32Å; V433-Y502 CarbonylContact O-C 3.44Å; V433-Y502 VanDerWaalsContact O-CB 3.32Å; V433-Y502 WeakPolarHBondContact O-CB 3.37Å; A434-Y502 CarbonylContact O-C 3.54Å; A434-Y502 WeakPolarHBondContact O-CA 3.33Å; A434-Y502 PolarHBondContact O-N 2.76Å; I436-Y502 HydrophobicContact CB-CE2 4.11Å; I436-Y502 HydrophobicContact CD1-CD2 4.36Å; I436-Y502 HydrophobicContact CD1-CE2 3.86Å; I436-Y502 HydrophobicContact CG1-CD2 4.2Å; I436-Y502 HydrophobicContact CG1-CE2 3.94Å; K500-Y502 HydrophobicContact CB-CD2 4.19Å; K500-Y502 HydrophobicContact CB-CE2 3.43Å; K500-Y502 VanDerWaalsContact CB-CE2 3.43Å; K500-Y502 HydrophobicContact CD-CE1 4.33Å; K500-Y502 HydrophobicContact CD-CE2 4.43Å; K500-Y502 WeakPolarHBondContact CD-OH 3.16Å; Y502-T504 PolarHBondContact O-N 3.02Å; Y502-T504 VanDerWaalsContact O-N 3.09Å; Y502-D505 HydrophobicContact CD1-CB 4.22Å; Y502-D505 WeakPolarHBondContact CD1-OD2 3.33Å; Y502-D505 WeakPolarHBondContact O-CB 3.49Å; Y502-D505 PolarHBondContact O-N 2.82Å; Y502-N508 PolarHBondContact O-ND2 3.19Å
503	M	90.8	Very high	88.3	Confident	17 Å²	17	36.6 Å²	36.6	8%	0.084	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-38.9	-175.6	-59.9	-179.1	89.2	0	0	111.8	L398 F401 A434 N501 R511	L398-M503 HydrophobicContact CD2-CE 3.58Å; L398-M503 HydrophobicContact CD2-SD 4.13Å; F401-M503 HydrophobicContact CB-CE 3.81Å; F401-M503 HydrophobicContact CD2-CB 4.3Å; F401-M503 HydrophobicContact CD2-CE 3.76Å; F401-M503 HydrophobicContact CD2-CG 4.39Å; F401-M503 HydrophobicContact CE2-CB 3.88Å; F401-M503 HydrophobicContact CE2-CG 4.31Å; F401-M503 WeakPolarHBondContact CE2-O 3.23Å; F401-M503 HydrophobicContact CG-CE 3.85Å; F401-M503 HydrophobicContact CZ-CB 4.26Å; A434-M503 HydrophobicContact CB-CE 4.42Å; A434-M503 HydrophobicContact CB-CG 3.8Å; A434-M503 HydrophobicContact CB-SD 4.49Å; A434-M503 WeakPolarHBondContact O-CG 3.43Å; A434-M503 PolarHBondContact O-N 3.15Å; A434-M503 VanDerWaalsContact O-N 3.15Å; N501-M503 WeakPolarHBondContact OD1-CB 3.32Å; N501-M503 WeakPolarHBondContact OD1-CG 3.28Å; N501-M503 PolarHBondContact OD1-N 3.16Å; M503-R511 PolarHBondContact O-NE 2.89Å; M503-R511 PolarHBondContact O-NH1 2.66Å
504	T	85.8	Confident	87.6	Confident	78 Å²	78	37.7 Å²	37.7	48%	0.479	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-3.2	176.9	56.7	0	0	0	0	115	Y502 R511	Y502-T504 PolarHBondContact O-N 3.02Å; Y502-T504 VanDerWaalsContact O-N 3.09Å; T504-R511 PolarHBondContact O-NH1 2.94Å
505	D	88	Confident	87.1	Confident	3 Å²	3	36.8 Å²	36.8	2%	0.016	21%	0.212	C	C	.	.			trans	-61.8	127.7	-175.5	-167.8	-47.6	0	0	0	111.9	H381 Y502 N507 N508 R511	H381-D505 IonicContact CE1-OD2 3.65Å; H381-D505 IonicContact CG-OD2 2.74Å; H381-D505 PolarHBondContact N-OD2 3.49Å; H381-D505 IonicContact ND1-OD2 3.22Å; H381-D505 PolarHBondContact ND1-OD2 3.42Å; Y502-D505 HydrophobicContact CD1-CB 4.22Å; Y502-D505 WeakPolarHBondContact CD1-OD2 3.33Å; Y502-D505 WeakPolarHBondContact O-CB 3.49Å; Y502-D505 PolarHBondContact O-N 2.82Å; D505-N507 PolarHBondContact O-N 3.37Å; D505-N507 WeakPolarHBondContact OD1-CA 3.36Å; D505-N507 WeakPolarHBondContact OD1-CB 3.18Å; D505-N507 PolarHBondContact OD1-N 2.8Å; D505-N507 PolarHBondContact OD1-ND2 3.18Å; D505-N508 WeakPolarHBondContact O-CB 3.15Å; D505-N508 PolarHBondContact O-N 3.25Å; D505-R511 PolarHBondContact O-NH1 2.95Å
506	P	85.8	Confident	86.8	Confident	69 Å²	69	35.9 Å²	35.9	45%	0.448	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-3.4	-179.9	31.5	-37.9	0	0	0	114.4	T383	T383-P506 WeakPolarHBondContact OG1-CG 3.23Å
507	N	90	Very high	86.1	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.011	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-7.4	175.5	-56.7	-71.2	0	0	0	113.3	F424 D505 R509 H590 K605	F424-N507 HydrophobicContact CE1-CB 3.95Å; F424-N507 HydrophobicContact CZ-CB 4.05Å; D505-N507 PolarHBondContact O-N 3.37Å; D505-N507 WeakPolarHBondContact OD1-CA 3.36Å; D505-N507 WeakPolarHBondContact OD1-CB 3.18Å; D505-N507 PolarHBondContact OD1-N 2.8Å; D505-N507 PolarHBondContact OD1-ND2 3.18Å; N507-R509 PolarHBondContact O-N 3.45Å; N507-H590 VanDerWaalsContact CG-CD2 3.48Å; N507-H590 PolarHBondContact OD1-CD2 3.34Å; N507-K605 VanDerWaalsContact OD1-CE 3.26Å; N507-K605 WeakPolarHBondContact OD1-CE 3.49Å; N507-K605 PolarHBondContact OD1-NZ 2.62Å
508	N	90.6	Very high	85.6	Confident	4 Å²	4	47.1 Å²	47.1	2%	0.021	27%	0.266	C	S	.	.			trans	-66.5	81.4	165.2	-90.5	-31.7	0	0	0	110.3	N432 V433 Y502 D505 F510 R511	N432-N508 WeakPolarHBondContact CA-OD1 3.39Å; N432-N508 HydrophobicContact CB-CB 4.32Å; N432-N508 PolarHBondContact OD1-O 3Å; V433-N508 PolarHBondContact N-OD1 2.83Å; V433-N508 PolarHBondContact O-ND2 3.1Å; Y502-N508 PolarHBondContact O-ND2 3.19Å; D505-N508 WeakPolarHBondContact O-CB 3.15Å; D505-N508 PolarHBondContact O-N 3.25Å; N508-F510 PolarHBondContact O-N 3.35Å; N508-F510 VanDerWaalsContact O-N 3.12Å; N508-R511 HydrophobicContact CB-CG 4.05Å; N508-R511 WeakPolarHBondContact O-CB 3.25Å; N508-R511 PolarHBondContact O-N 3.23Å; N508-R511 VanDerWaalsContact O-N 3.11Å
509	R	87.4	Confident	85.1	Confident	32 Å²	32	48.2 Å²	48.2	12%	0.121	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-13.3	-164.5	69.8	-169.6	-172.8	179.8	8.7	115.2	L429 N507 V515 A516	L429-R509 VanDerWaalsContact CA-NH2 3.3Å; L429-R509 VanDerWaalsContact CD2-NH1 3.29Å; L429-R509 PolarHBondContact O-NH2 2.65Å; N507-R509 PolarHBondContact O-N 3.45Å; R509-V515 HydrophobicContact CB-CG1 3.95Å; R509-V515 WeakPolarHBondContact O-CB 3.21Å; R509-V515 WeakPolarHBondContact O-CG1 3.46Å; R509-A516 PolarHBondContact O-N 2.84Å
510	F	87.1	Confident	84.7	Confident	40 Å²	40	56.1 Å²	56.1	18%	0.175	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-8.4	177.9	-55.2	-87.8	0	0	0	112.9	L429 G431 N432 N508 N512 A516 I521	L429-F510 WeakPolarHBondContact O-CZ 3.44Å; G431-F510 VanDerWaalsContact CA-CD2 3.49Å; N432-F510 WeakPolarHBondContact OD1-CA 3.44Å; N432-F510 WeakPolarHBondContact OD1-CB 3.35Å; N432-F510 PolarHBondContact OD1-N 2.81Å; N432-F510 VanDerWaalsContact OD1-N 3.15Å; N508-F510 PolarHBondContact O-N 3.35Å; N508-F510 VanDerWaalsContact O-N 3.12Å; F510-N512 VanDerWaalsContact C-N 3.32Å; F510-N512 PolarHBondContact O-N 2.8Å; F510-A516 HydrophobicContact CB-CB 4.41Å; F510-A516 HydrophobicContact CD1-CB 4.11Å; F510-I521 HydrophobicContact CE1-CD1 4.37Å; F510-I521 HydrophobicContact CE1-CG1 4.12Å; F510-I521 HydrophobicContact CZ-CD1 4.38Å; F510-I521 HydrophobicContact CZ-CG1 3.87Å
511	R	82.1	Confident	84.6	Confident	54 Å²	54	59.3 Å²	59.3	20%	0.204	32%	0.32	C	S	.	.	S	Bend	trans	-65.7	-31.5	170.8	-73.7	171.6	61.7	-147.2	-0.5	113	D397 V400 N432 M503 T504 D505 N508	D397-R511 IonicContact OD1-CZ 2.66Å; D397-R511 IonicContact OD1-NE 2.61Å; D397-R511 IonicContact OD1-NH2 2.83Å; D397-R511 PolarHBondContact OD1-NH2 2.84Å; D397-R511 IonicContact OD2-NH2 2.63Å; D397-R511 PolarHBondContact OD2-NH2 2.87Å; D397-R511 VanDerWaalsContact OD2-NH2 3.14Å; V400-R511 HydrophobicContact CB-CG 4.5Å; V400-R511 HydrophobicContact CG1-CG 4.41Å; N432-R511 PolarHBondContact ND2-N 2.96Å; N432-R511 PolarHBondContact OD1-N 3.21Å; N432-R511 VanDerWaalsContact OD1-N 3.11Å; M503-R511 PolarHBondContact O-NE 2.89Å; M503-R511 PolarHBondContact O-NH1 2.66Å; T504-R511 PolarHBondContact O-NH1 2.94Å; D505-R511 PolarHBondContact O-NH1 2.95Å; N508-R511 HydrophobicContact CB-CG 4.05Å; N508-R511 WeakPolarHBondContact O-CB 3.25Å; N508-R511 PolarHBondContact O-N 3.23Å; N508-R511 VanDerWaalsContact O-N 3.11Å
512	N	73.7	Confident	84.5	Confident	90 Å²	90	59.9 Å²	59.9	48%	0.481	32%	0.323	S	S	.	.	S	Bend	trans	-100.2	111.1	176.3	-176.2	-57.2	0	0	0	109.9	F510 M514 V515 A516	F510-N512 VanDerWaalsContact C-N 3.32Å; F510-N512 PolarHBondContact O-N 2.8Å; N512-M514 VanDerWaalsContact C-N 3.25Å; N512-M514 PolarHBondContact O-N 3.13Å; N512-M514 VanDerWaalsContact O-N 3.13Å; N512-M514 WeakPolarHBondContact OD1-CB 3.28Å; N512-M514 PolarHBondContact OD1-N 2.92Å; N512-V515 HydrophobicContact CB-CB 4.22Å; N512-V515 HydrophobicContact CB-CG2 4.01Å; N512-V515 CarbonylContact O-C 3.59Å; N512-V515 WeakPolarHBondContact O-CA 3.22Å; N512-V515 PolarHBondContact O-N 2.9Å; N512-V515 PolarHBondContact OD1-N 3.43Å; N512-A516 PolarHBondContact O-N 3.28Å
513	S	75.3	Confident	84.5	Confident	97 Å²	97	66.2 Å²	66.2	68%	0.678	35%	0.353	S	S	*	.	H	α-helix	trans	-51.7	-37.5	-177.5	179.8	0	0	0	0	114.2	V515 A516 A517	S513-V515 VanDerWaalsContact C-N 3.3Å; S513-V515 PolarHBondContact O-N 3.36Å; S513-A516 PolarHBondContact O-N 2.95Å; S513-A517 WeakPolarHBondContact O-CB 3.41Å; S513-A517 PolarHBondContact O-N 3.1Å
514	M	72.6	Confident	84.7	Confident	133 Å²	133	66.5 Å²	66.5	66%	0.655	36%	0.356	S	S	*	.	H	α-helix	trans	-70.2	-25.8	178.3	-165	-166.9	-64.7	0	0	113.2	N512 K518	N512-M514 VanDerWaalsContact C-N 3.25Å; N512-M514 PolarHBondContact O-N 3.13Å; N512-M514 VanDerWaalsContact O-N 3.13Å; N512-M514 WeakPolarHBondContact OD1-CB 3.28Å; N512-M514 PolarHBondContact OD1-N 2.92Å; M514-K518 WeakPolarHBondContact O-CD 3.32Å
515	V	77.6	Confident	85.1	Confident	66 Å²	66	64 Å²	64	40%	0.4	34%	0.341	S	S	.	.	H	α-helix	trans	-86.5	-38.6	173.8	-175.3	0	0	0	0	110.3	R509 N512 S513 K518 S519	R509-V515 HydrophobicContact CB-CG1 3.95Å; R509-V515 WeakPolarHBondContact O-CB 3.21Å; R509-V515 WeakPolarHBondContact O-CG1 3.46Å; N512-V515 HydrophobicContact CB-CB 4.22Å; N512-V515 HydrophobicContact CB-CG2 4.01Å; N512-V515 CarbonylContact O-C 3.59Å; N512-V515 WeakPolarHBondContact O-CA 3.22Å; N512-V515 PolarHBondContact O-N 2.9Å; N512-V515 PolarHBondContact OD1-N 3.43Å; S513-V515 VanDerWaalsContact C-N 3.3Å; S513-V515 PolarHBondContact O-N 3.36Å; V515-K518 PolarHBondContact O-N 2.74Å; V515-K518 VanDerWaalsContact O-N 3.14Å; V515-S519 WeakPolarHBondContact O-CB 3.32Å; V515-S519 PolarHBondContact O-N 3.23Å; V515-S519 PolarHBondContact O-OG 2.88Å
516	A	80.4	Confident	85.4	Confident	25 Å²	25	66.4 Å²	66.4	21%	0.207	35%	0.35	C	S	.	.	H	α-helix	trans	-56.2	-50.7	173.9	0	0	0	0	0	111.3	R509 F510 N512 S513 K518 S519	R509-A516 PolarHBondContact O-N 2.84Å; F510-A516 HydrophobicContact CB-CB 4.41Å; F510-A516 HydrophobicContact CD1-CB 4.11Å; N512-A516 PolarHBondContact O-N 3.28Å; S513-A516 PolarHBondContact O-N 2.95Å; A516-K518 PolarHBondContact O-N 3.47Å; A516-S519 PolarHBondContact O-N 3.4Å
517	A	77.6	Confident	85.8	Confident	93 Å²	93	63.1 Å²	63.1	77%	0.769	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-13.6	178.8	0	0	0	0	0	114.7	S513	S513-A517 WeakPolarHBondContact O-CB 3.41Å; S513-A517 PolarHBondContact O-N 3.1Å
518	K	80.4	Confident	86.1	Confident	150 Å²	150	63 Å²	63	65%	0.652	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-14	174.3	-64.8	171.1	-172.7	164.9	0	112.7	M514 V515 A516	M514-K518 WeakPolarHBondContact O-CD 3.32Å; V515-K518 PolarHBondContact O-N 2.74Å; V515-K518 VanDerWaalsContact O-N 3.14Å; A516-K518 PolarHBondContact O-N 3.47Å
519	S	84.4	Confident	86.3	Confident	26 Å²	26	65.2 Å²	65.2	18%	0.182	34%	0.339	C	S	.	.			trans	-87.3	109.4	-177.6	-63.6	0	0	0	0	109.8	V515 A516	V515-S519 WeakPolarHBondContact O-CB 3.32Å; V515-S519 PolarHBondContact O-N 3.23Å; V515-S519 PolarHBondContact O-OG 2.88Å; A516-S519 PolarHBondContact O-N 3.4Å
520	R	87.9	Confident	86.6	Confident	166 Å²	166	63.7 Å²	63.7	63%	0.626	33%	0.333	S	S	*	.			trans	-85.9	124.4	176.1	-61.6	-177.4	-178.3	-165.7	-2.9	109.8	L522	R520-L522 HydrophobicContact CB-CD1 4.25Å; R520-L522 HydrophobicContact CB-CG 4.12Å
521	I	91	Very high	86.9	Confident	72 Å²	72	65 Å²	65	37%	0.369	34%	0.339	S	S	.	.			trans	-74.9	129.5	163.3	-61.6	172.8	0	0	0	106.9	Y430 L458 F510	Y430-I521 HydrophobicContact CD1-CG2 3.74Å; Y430-I521 HydrophobicContact CE1-CG2 4.14Å; Y430-I521 VanDerWaalsContact O-CD1 3.28Å; Y430-I521 WeakPolarHBondContact O-CD1 3.49Å; L458-I521 HydrophobicContact CD1-CD1 4.15Å; L458-I521 HydrophobicContact CD1-CG2 4.23Å; F510-I521 HydrophobicContact CE1-CD1 4.37Å; F510-I521 HydrophobicContact CE1-CG1 4.12Å; F510-I521 HydrophobicContact CZ-CD1 4.38Å; F510-I521 HydrophobicContact CZ-CG1 3.87Å
522	L	93.1	Very high	87.3	Confident	41 Å²	41	65 Å²	65	22%	0.215	34%	0.343	C	S	.	.			trans	-147.3	152.6	-174.6	-70.1	174.5	0	0	0	109.5	Y430 R520 F608 P610	Y430-L522 WeakPolarHBondContact CE1-O 3.41Å; Y430-L522 PolarHBondContact OH-O 3.01Å; R520-L522 HydrophobicContact CB-CD1 4.25Å; R520-L522 HydrophobicContact CB-CG 4.12Å; L522-F608 HydrophobicContact CB-CB 4.15Å; L522-F608 WeakPolarHBondContact CD1-O 2.97Å; L522-P610 HydrophobicContact CD1-CB 4.29Å; L522-P610 HydrophobicContact CD1-CG 4.19Å; L522-P610 HydrophobicContact CD2-CB 4.15Å
523	E	92.8	Very high	88.2	Confident	133 Å²	133	60.8 Å²	60.8	62%	0.621	32%	0.32	S	S	*	.			trans	-64	154.6	172	66.5	-166.3	-177.7	0	0	112.1	Y462 S525	Y462-E523 HydrophobicContact CD1-CB 3.79Å; Y462-E523 HydrophobicContact CE1-CB 3.45Å; Y462-E523 VanDerWaalsContact CE1-CB 3.45Å; E523-S525 PolarHBondContact O-N 3.24Å
524	P	94.7	Very high	88.7	Confident	22 Å²	22	56.2 Å²	56.2	14%	0.143	29%	0.288	C	S	.	.			trans	-54.9	125.1	175.6	-29.3	38	0	0	0	112.2	Y430 F463 L578 L582 F608	Y430-P524 WeakPolarHBondContact OH-CD 3.44Å; F463-P524 HydrophobicContact CE1-CG 4.08Å; F463-P524 HydrophobicContact CZ-CG 4.47Å; P524-L578 HydrophobicContact CB-CD1 3.91Å; P524-L578 HydrophobicContact CB-CD2 4.18Å; P524-L582 HydrophobicContact CB-CD2 4.35Å; P524-F608 HydrophobicContact CB-CE1 4.36Å; P524-F608 HydrophobicContact CB-CZ 4.15Å
525	S	94.4	Very high	89.3	Confident	25 Å²	25	52.3 Å²	52.3	18%	0.175	27%	0.27	C	S	.	.			trans	-128.9	144.6	-174.5	175.4	0	0	0	0	111.1	E523 T527 S609	E523-S525 PolarHBondContact O-N 3.24Å; S525-T527 PolarHBondContact O-N 3.22Å; S525-T527 PolarHBondContact OG-N 3.05Å; S525-T527 PolarHBondContact OG-O 3.27Å; S525-S609 VanDerWaalsContact CB-O 3.25Å; S525-S609 WeakPolarHBondContact CB-O 3.22Å; S525-S609 PolarHBondContact OG-O 3.39Å
526	R	94.2	Very high	89.5	Confident	54 Å²	54	56 Å²	56	20%	0.204	29%	0.287	C	S	.	.	S	Bend	trans	-62.5	-22.2	171.7	-50.7	-169.3	-53.7	161	11.3	113	E574 W575 D576 L578 A581	R526-E574 HydrophobicContact CB-CG 4.3Å; R526-E574 IonicContact CZ-OE1 3.39Å; R526-E574 IonicContact NE-OE1 3.62Å; R526-E574 IonicContact NH2-OE1 3.77Å; R526-E574 PolarHBondContact NH2-OE1 3.21Å; R526-E574 WeakPolarHBondContact O-CA 3.47Å; R526-W575 PolarHBondContact O-N 3.17Å; R526-D576 VanDerWaalsContact CD-O 3.32Å; R526-D576 WeakPolarHBondContact CD-O 3.45Å; R526-D576 PolarHBondContact NH1-O 3.13Å; R526-L578 HydrophobicContact CG-CB 4.33Å; R526-A581 WeakPolarHBondContact O-CB 3.39Å
527	T	94.7	Very high	89.8	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.4	178.6	-54.6	0	0	0	0	109.9	S525 L572 V573 E574 S609 P612 I613	S525-T527 PolarHBondContact O-N 3.22Å; S525-T527 PolarHBondContact OG-N 3.05Å; S525-T527 PolarHBondContact OG-O 3.27Å; T527-L572 HydrophobicContact CG2-CB 4.18Å; T527-L572 HydrophobicContact CG2-CD1 4.42Å; T527-L572 HydrophobicContact CG2-CD2 4.22Å; T527-L572 HydrophobicContact CG2-CG 4.5Å; T527-V573 CarbonylContact C-O 3.57Å; T527-V573 WeakPolarHBondContact CA-O 3.28Å; T527-E574 HydrophobicContact CG2-CB 4.23Å; T527-E574 VanDerWaalsContact OG1-CG 3.28Å; T527-E574 WeakPolarHBondContact OG1-CG 3.39Å; T527-E574 PolarHBondContact OG1-OE1 3.44Å; T527-S609 WeakPolarHBondContact O-CB 3.49Å; T527-S609 PolarHBondContact O-N 2.83Å; T527-P612 WeakPolarHBondContact OG1-CA 3.15Å; T527-I613 HydrophobicContact CG2-CG1 4.27Å
528	L	96.4	Very high	90.3	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	138.3	175.6	-44.2	177.7	0	0	0	110	L572 V573 W575 A581 L585 I606 A607 F608	L528-L572 WeakPolarHBondContact O-CA 3.19Å; L528-V573 HydrophobicContact CB-CG2 3.98Å; L528-V573 PolarHBondContact N-O 2.89Å; L528-V573 PolarHBondContact O-N 2.91Å; L528-W575 HydrophobicContact CB-CZ3 4.49Å; L528-W575 HydrophobicContact CD1-CE3 4.45Å; L528-W575 HydrophobicContact CD1-CH2 4.08Å; L528-W575 HydrophobicContact CD1-CZ3 3.55Å; L528-W575 HydrophobicContact CG-CZ3 3.86Å; L528-A581 WeakPolarHBondContact CD1-O 3.46Å; L528-A581 HydrophobicContact CD2-CB 4.43Å; L528-A581 HydrophobicContact CG-CB 4.47Å; L528-L585 HydrophobicContact CD1-CB 4.11Å; L528-I606 HydrophobicContact CB-CG2 3.67Å; L528-I606 HydrophobicContact CD1-CG2 3.72Å; L528-I606 HydrophobicContact CG-CG2 4.2Å; L528-A607 CarbonylContact C-O 3.51Å; L528-A607 WeakPolarHBondContact CA-O 3.47Å; L528-F608 HydrophobicContact CD2-CD1 3.51Å; L528-F608 HydrophobicContact CD2-CE1 3.75Å
529	H	94.6	Very high	90.8	Very high	49 Å²	49	46.6 Å²	46.6	23%	0.227	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	112.9	167	173.3	-96.6	0	0	0	109.5	F531 L570 G571 L572 A607	H529-F531 AromaticContact CE1-CD1 3.87Å; H529-F531 AromaticContact ND1-CD1 3.7Å; H529-L570 WeakPolarHBondContact NE2-CD1 3.46Å; H529-G571 WeakPolarHBondContact CA-O 3.3Å; H529-G571 PolarHBondContact CD2-O 3.08Å; H529-G571 VanDerWaalsContact CD2-O 3.31Å; H529-L572 HydrophobicContact CB-CD2 3.91Å; H529-A607 PolarHBondContact N-O 3.15Å; H529-A607 PolarHBondContact O-N 3.39Å
530	F	94.7	Very high	91.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	145.5	174	75.6	-93.3	0	0	0	110.3	A533 I542 I559 L570 G571 V573 L604 K605	F530-A533 HydrophobicContact CD2-CB 4.06Å; F530-A533 HydrophobicContact CE2-CB 4.03Å; F530-I542 HydrophobicContact CD2-CD1 3.98Å; F530-I542 HydrophobicContact CE1-CD1 4.42Å; F530-I542 HydrophobicContact CE1-CG2 4.38Å; F530-I542 HydrophobicContact CE2-CD1 3.48Å; F530-I542 VanDerWaalsContact CE2-CD1 3.48Å; F530-I542 HydrophobicContact CE2-CG1 4.23Å; F530-I542 HydrophobicContact CZ-CD1 3.73Å; F530-I542 HydrophobicContact CZ-CG1 3.97Å; F530-I559 HydrophobicContact CZ-CG1 4.21Å; F530-L570 CarbonylContact O-C 3.59Å; F530-L570 WeakPolarHBondContact O-CA 3.34Å; F530-L570 VanDerWaalsContact O-CB 3.26Å; F530-L570 WeakPolarHBondContact O-CB 3.34Å; F530-G571 WeakPolarHBondContact CD1-O 3.38Å; F530-G571 VanDerWaalsContact CE1-C 3.42Å; F530-G571 VanDerWaalsContact CE1-CA 3.49Å; F530-G571 PolarHBondContact N-O 2.76Å; F530-G571 PolarHBondContact O-N 3.36Å; F530-V573 HydrophobicContact CD1-CG1 3.96Å; F530-V573 HydrophobicContact CD1-CG2 4.38Å; F530-V573 HydrophobicContact CE1-CG1 4.1Å; F530-L604 HydrophobicContact CB-CD1 4.27Å; F530-L604 HydrophobicContact CD2-CD1 4.27Å; F530-K605 CarbonylContact C-O 3.6Å; F530-K605 WeakPolarHBondContact CA-O 3.39Å
531	F	92.7	Very high	91.3	Very high	68 Å²	68	42 Å²	42	30%	0.298	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	170.4	176.6	62.4	-77	0	0	0	111.4	H529 A533 L570 K605	H529-F531 AromaticContact CE1-CD1 3.87Å; H529-F531 AromaticContact ND1-CD1 3.7Å; F531-A533 PolarHBondContact O-N 3.37Å; F531-L570 HydrophobicContact CB-CB 3.68Å; F531-K605 HydrophobicContact CD1-CB 4.04Å; F531-K605 WeakPolarHBondContact CD1-O 3.47Å; F531-K605 HydrophobicContact CD2-CB 3.94Å; F531-K605 HydrophobicContact CE1-CB 3.66Å; F531-K605 HydrophobicContact CE2-CB 3.56Å; F531-K605 HydrophobicContact CE2-CD 4.08Å; F531-K605 HydrophobicContact CE2-CG 4.3Å; F531-K605 HydrophobicContact CG-CB 4.17Å; F531-K605 HydrophobicContact CZ-CB 3.42Å; F531-K605 VanDerWaalsContact CZ-CB 3.42Å; F531-K605 HydrophobicContact CZ-CD 4.29Å; F531-K605 HydrophobicContact CZ-CG 4.43Å; F531-K605 PolarHBondContact N-O 2.87Å; F531-K605 PolarHBondContact O-N 3.38Å
532	N	91.1	Very high	91.3	Very high	55 Å²	55	38.7 Å²	38.7	29%	0.294	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	63.9	18.8	-173.6	-156.2	60.4	0	0	0	114.3	S569 H603 K605	N532-S569 PolarHBondContact N-O 2.71Å; N532-H603 PolarHBondContact ND2-O 2.78Å; N532-K605 HydrophobicContact CB-CG 4.49Å
533	A	90.8	Very high	91.3	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.008	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	160.9	169	0	0	0	0	0	110.7	F530 F531 I542 T568 S569 L604	F530-A533 HydrophobicContact CD2-CB 4.06Å; F530-A533 HydrophobicContact CE2-CB 4.03Å; F531-A533 PolarHBondContact O-N 3.37Å; A533-I542 HydrophobicContact CB-CD1 4.19Å; A533-T568 CarbonylContact O-C 3.54Å; A533-T568 VanDerWaalsContact O-CA 3.27Å; A533-T568 WeakPolarHBondContact O-CA 3.43Å; A533-T568 WeakPolarHBondContact O-CB 3.4Å; A533-T568 WeakPolarHBondContact O-CG2 3.24Å; A533-S569 PolarHBondContact N-O 2.79Å; A533-S569 VanDerWaalsContact N-O 3.16Å; A533-S569 PolarHBondContact O-N 3.15Å; A533-L604 HydrophobicContact CB-CD1 3.97Å
534	P	87.6	Confident	91.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-65.8	155.3	176.9	-17.2	31.2	0	0	0	112.4	F537 S569 V593 L595 F602	P534-F537 HydrophobicContact CB-CD2 3.68Å; P534-F537 HydrophobicContact CB-CE2 3.55Å; P534-F537 HydrophobicContact CB-CZ 4.42Å; P534-F537 HydrophobicContact CG-CD2 3.87Å; P534-F537 HydrophobicContact CG-CE2 3.33Å; P534-F537 HydrophobicContact CG-CZ 3.72Å; P534-S569 WeakPolarHBondContact O-CB 3.27Å; P534-V593 HydrophobicContact CG-CG1 4.24Å; P534-L595 HydrophobicContact CB-CD1 3.53Å; P534-L595 HydrophobicContact CB-CG 4.5Å; P534-L595 HydrophobicContact CG-CD1 3.7Å; P534-L595 HydrophobicContact CG-CG 4.14Å; P534-F602 HydrophobicContact CB-CD1 4.28Å; P534-F602 HydrophobicContact CB-CD2 4.09Å; P534-F602 HydrophobicContact CB-CE1 4.27Å; P534-F602 HydrophobicContact CB-CE2 4.06Å; P534-F602 HydrophobicContact CB-CG 4.19Å; P534-F602 HydrophobicContact CB-CZ 4.15Å; P534-F602 HydrophobicContact CG-CB 3.93Å; P534-F602 HydrophobicContact CG-CD1 4.18Å; P534-F602 HydrophobicContact CG-CD2 3.66Å; P534-F602 HydrophobicContact CG-CE2 4.15Å; P534-F602 HydrophobicContact CG-CG 3.67Å
535	L	85	Confident	91.2	Very high	52 Å²	52	36.8 Å²	36.8	27%	0.272	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	154.6	173.2	-69.8	172.1	0	0	0	111.3	I360 F537 K567	I360-L535 WeakPolarHBondContact CD1-O 3.32Å; L535-F537 PolarHBondContact O-N 2.98Å; L535-F537 VanDerWaalsContact O-N 3.15Å; L535-K567 WeakPolarHBondContact CG-O 3.36Å
536	N	81.6	Confident	91.1	Very high	143 Å²	143	35.7 Å²	35.7	77%	0.765	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	13	177.4	-50	-23.7	0	0	0	115.8	I360	I360-N536 HydrophobicContact CD1-CB 4.18Å; I360-N536 WeakPolarHBondContact CD1-O 3.44Å
537	F	86.5	Confident	91.1	Very high	12 Å²	12	35.9 Å²	35.9	5%	0.053	19%	0.186	C	C	.	.			trans	-55.7	136	168.1	-101.4	-130.3	0	0	0	111.4	I360 I362 P534 L535 D541 I542 V545 I559 V593 L595	I360-F537 HydrophobicContact CD1-CD2 3.75Å; I360-F537 HydrophobicContact CD1-CE2 4.18Å; I360-F537 HydrophobicContact CG2-CD2 4.43Å; I360-F537 HydrophobicContact CG2-CE2 3.85Å; I362-F537 HydrophobicContact CD1-CE1 3.9Å; I362-F537 HydrophobicContact CD1-CZ 3.69Å; I362-F537 HydrophobicContact CG1-CZ 3.87Å; P534-F537 HydrophobicContact CB-CD2 3.68Å; P534-F537 HydrophobicContact CB-CE2 3.55Å; P534-F537 HydrophobicContact CB-CZ 4.42Å; P534-F537 HydrophobicContact CG-CD2 3.87Å; P534-F537 HydrophobicContact CG-CE2 3.33Å; P534-F537 HydrophobicContact CG-CZ 3.72Å; L535-F537 PolarHBondContact O-N 2.98Å; L535-F537 VanDerWaalsContact O-N 3.15Å; F537-D541 HydrophobicContact CB-CB 4.38Å; F537-D541 HydrophobicContact CD1-CB 3.5Å; F537-D541 HydrophobicContact CD2-CB 4.5Å; F537-D541 HydrophobicContact CE1-CB 3.76Å; F537-D541 HydrophobicContact CG-CB 3.91Å; F537-D541 HydrophobicContact CZ-CB 4.35Å; F537-I542 HydrophobicContact CD1-CD1 3.74Å; F537-I542 HydrophobicContact CD1-CG1 4.14Å; F537-V545 HydrophobicContact CE1-CG2 3.91Å; F537-I559 WeakPolarHBondContact O-CD1 3.45Å; F537-V593 HydrophobicContact CE1-CG1 4.46Å; F537-V593 HydrophobicContact CZ-CG1 3.87Å; F537-L595 HydrophobicContact CE2-CD1 4.23Å; F537-L595 HydrophobicContact CE2-CD2 3.96Å; F537-L595 HydrophobicContact CZ-CD2 4.13Å
538	S	88.2	Confident	90.9	Very high	36 Å²	36	39.7 Å²	39.7	25%	0.252	21%	0.206	S	C	.	.			trans	-83.2	164.5	167.8	68.7	0	0	0	0	111.6	D540 D541 I542 I559	S538-D540 PolarHBondContact O-N 2.76Å; S538-D540 PolarHBondContact OG-N 3.26Å; S538-D541 WeakPolarHBondContact CB-OD2 3.29Å; S538-D541 PolarHBondContact N-OD2 2.94Å; S538-D541 PolarHBondContact O-N 3.15Å; S538-D541 VanDerWaalsContact O-N 3.15Å; S538-D541 PolarHBondContact OG-N 3.4Å; S538-D541 VanDerWaalsContact OG-N 3.11Å; S538-D541 PolarHBondContact OG-OD2 3.11Å; S538-I542 PolarHBondContact O-N 3.32Å; S538-I542 VanDerWaalsContact O-N 3.16Å; S538-I559 VanDerWaalsContact C-CD1 3.41Å
539	P	89.7	Confident	90.6	Very high	23 Å²	23	40.4 Å²	40.4	15%	0.149	21%	0.211	C	C	.	.	H	α-helix	trans	-51.9	-41.6	168.1	-30.6	39.7	0	0	0	112.8	D541 I542 C543 V557 I559 I620	P539-D541 VanDerWaalsContact C-N 3.33Å; P539-D541 PolarHBondContact O-N 3.49Å; P539-I542 WeakPolarHBondContact O-CB 3.43Å; P539-I542 PolarHBondContact O-N 3.27Å; P539-C543 PolarHBondContact O-N 2.92Å; P539-C543 PolarHBondContact O-SG 3.08Å; P539-C543 VanDerWaalsContact O-SG 3.42Å; P539-V557 HydrophobicContact CB-CB 4.07Å; P539-V557 HydrophobicContact CB-CG1 4.14Å; P539-I559 HydrophobicContact CG-CD1 4.3Å; P539-I620 HydrophobicContact CG-CD1 4.4Å
540	D	91.1	Very high	90.4	Very high	81 Å²	81	41 Å²	41	43%	0.433	23%	0.23	S	C	.	.	H	α-helix	trans	-64.2	-35.4	178.2	-53.2	-97.2	0	0	0	112.5	S538 C543 R544	S538-D540 PolarHBondContact O-N 2.76Å; S538-D540 PolarHBondContact OG-N 3.26Å; D540-C543 PolarHBondContact O-N 3.34Å; D540-R544 VanDerWaalsContact O-CG 3.26Å; D540-R544 WeakPolarHBondContact O-CG 3.5Å; D540-R544 PolarHBondContact O-N 2.81Å
541	D	91.9	Very high	90.3	Very high	13 Å²	13	41.3 Å²	41.3	7%	0.07	23%	0.233	C	C	.	.	H	α-helix	trans	-69.6	-34.6	174.7	-62.3	-46.7	0	0	0	112.5	I362 F537 S538 P539 R544 V545	I362-D541 HydrophobicContact CD1-CB 4.14Å; F537-D541 HydrophobicContact CB-CB 4.38Å; F537-D541 HydrophobicContact CD1-CB 3.5Å; F537-D541 HydrophobicContact CD2-CB 4.5Å; F537-D541 HydrophobicContact CE1-CB 3.76Å; F537-D541 HydrophobicContact CG-CB 3.91Å; F537-D541 HydrophobicContact CZ-CB 4.35Å; S538-D541 WeakPolarHBondContact CB-OD2 3.29Å; S538-D541 PolarHBondContact N-OD2 2.94Å; S538-D541 PolarHBondContact O-N 3.15Å; S538-D541 VanDerWaalsContact O-N 3.15Å; S538-D541 PolarHBondContact OG-N 3.4Å; S538-D541 VanDerWaalsContact OG-N 3.11Å; S538-D541 PolarHBondContact OG-OD2 3.11Å; P539-D541 VanDerWaalsContact C-N 3.33Å; P539-D541 PolarHBondContact O-N 3.49Å; D541-R544 IonicContact OD1-CZ 2.76Å; D541-R544 IonicContact OD1-NH1 2.74Å; D541-R544 PolarHBondContact OD1-NH1 3Å; D541-V545 WeakPolarHBondContact O-CG2 3.49Å; D541-V545 PolarHBondContact O-N 3.29Å; D541-V545 VanDerWaalsContact O-N 3.14Å
542	I	92.5	Very high	90.3	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.015	24%	0.238	C	C	.	.	H	α-helix	trans	-65.9	-45.5	170.3	-65.3	-67.5	0	0	0	110.2	F530 A533 F537 S538 P539 R544 V545 F546 V557 I559 V573	F530-I542 HydrophobicContact CD2-CD1 3.98Å; F530-I542 HydrophobicContact CE1-CD1 4.42Å; F530-I542 HydrophobicContact CE1-CG2 4.38Å; F530-I542 HydrophobicContact CE2-CD1 3.48Å; F530-I542 VanDerWaalsContact CE2-CD1 3.48Å; F530-I542 HydrophobicContact CE2-CG1 4.23Å; F530-I542 HydrophobicContact CZ-CD1 3.73Å; F530-I542 HydrophobicContact CZ-CG1 3.97Å; A533-I542 HydrophobicContact CB-CD1 4.19Å; F537-I542 HydrophobicContact CD1-CD1 3.74Å; F537-I542 HydrophobicContact CD1-CG1 4.14Å; S538-I542 PolarHBondContact O-N 3.32Å; S538-I542 VanDerWaalsContact O-N 3.16Å; P539-I542 WeakPolarHBondContact O-CB 3.43Å; P539-I542 PolarHBondContact O-N 3.27Å; I542-R544 VanDerWaalsContact C-N 3.35Å; I542-R544 PolarHBondContact O-N 3.07Å; I542-V545 PolarHBondContact O-N 3.2Å; I542-F546 HydrophobicContact CG2-CD2 4.04Å; I542-F546 HydrophobicContact CG2-CE2 3.81Å; I542-F546 VanDerWaalsContact O-CD2 3.3Å; I542-F546 WeakPolarHBondContact O-CD2 3.06Å; I542-F546 PolarHBondContact O-N 3.36Å; I542-V557 HydrophobicContact CB-CG1 4.35Å; I542-V557 HydrophobicContact CG2-CG1 4.23Å; I542-I559 HydrophobicContact CG1-CD1 3.96Å; I542-V573 HydrophobicContact CG2-CG1 3.76Å
543	C	93.2	Very high	90.4	Very high	13 Å²	13	41.1 Å²	41.1	9%	0.088	24%	0.241	C	C	.	.	H	α-helix	trans	-60.4	-41.5	176.2	-70	0	0	0	0	112.5	P539 D540 V545 F546 S547 P553 L622	P539-C543 PolarHBondContact O-N 2.92Å; P539-C543 PolarHBondContact O-SG 3.08Å; P539-C543 VanDerWaalsContact O-SG 3.42Å; D540-C543 PolarHBondContact O-N 3.34Å; C543-V545 PolarHBondContact O-N 3.06Å; C543-F546 PolarHBondContact O-N 2.69Å; C543-S547 PolarHBondContact O-N 3.27Å; C543-S547 PolarHBondContact O-OG 3.05Å; C543-P553 HydrophobicContact CB-CB 4.09Å; C543-L622 VanDerWaalsContact SG-CD1 3.55Å
544	R	91.6	Very high	90.5	Very high	138 Å²	138	41.2 Å²	41.2	52%	0.521	24%	0.241	S	C	.	.	H	α-helix	trans	-56.5	-47.8	172.9	-75.5	165.2	-179.4	160.2	-2.1	111.8	I362 D540 D541 I542 F546 S547 D548	I362-R544 HydrophobicContact CD1-CB 4.4Å; D540-R544 VanDerWaalsContact O-CG 3.26Å; D540-R544 WeakPolarHBondContact O-CG 3.5Å; D540-R544 PolarHBondContact O-N 2.81Å; D541-R544 IonicContact OD1-CZ 2.76Å; D541-R544 IonicContact OD1-NH1 2.74Å; D541-R544 PolarHBondContact OD1-NH1 3Å; I542-R544 VanDerWaalsContact C-N 3.35Å; I542-R544 PolarHBondContact O-N 3.07Å; R544-F546 VanDerWaalsContact C-N 3.28Å; R544-F546 PolarHBondContact O-N 3.22Å; R544-S547 PolarHBondContact O-N 3.13Å; R544-S547 VanDerWaalsContact O-N 3.16Å; R544-D548 WeakPolarHBondContact O-CB 3.19Å; R544-D548 PolarHBondContact O-N 3.3Å
545	V	92	Very high	90.5	Very high	6 Å²	6	41.6 Å²	41.6	4%	0.036	24%	0.243	C	C	.	.	H	α-helix	trans	-58.7	-38.1	178.2	170.7	0	0	0	0	112.1	I362 F537 D541 I542 C543 C549 V593 L604	I362-V545 HydrophobicContact CD1-CG2 4.05Å; F537-V545 HydrophobicContact CE1-CG2 3.91Å; D541-V545 WeakPolarHBondContact O-CG2 3.49Å; D541-V545 PolarHBondContact O-N 3.29Å; D541-V545 VanDerWaalsContact O-N 3.14Å; I542-V545 PolarHBondContact O-N 3.2Å; C543-V545 PolarHBondContact O-N 3.06Å; V545-C549 PolarHBondContact O-SG 2.67Å; V545-V593 HydrophobicContact CG1-CG2 3.87Å; V545-V593 HydrophobicContact CG2-CG1 4.11Å; V545-V593 HydrophobicContact CG2-CG2 3.95Å; V545-L604 HydrophobicContact CG1-CD2 3.86Å
546	F	93.7	Very high	90.6	Very high	1 Å²	1	40.7 Å²	40.7	0%	0.004	24%	0.236	C	C	.	.	H	α-helix	trans	-70.3	-44.2	173.9	-76.1	-73.7	0	0	0	112.8	I542 C543 R544 D548 C549 A551 P554 V573 W575 A584 A588 I606	I542-F546 HydrophobicContact CG2-CD2 4.04Å; I542-F546 HydrophobicContact CG2-CE2 3.81Å; I542-F546 VanDerWaalsContact O-CD2 3.3Å; I542-F546 WeakPolarHBondContact O-CD2 3.06Å; I542-F546 PolarHBondContact O-N 3.36Å; C543-F546 PolarHBondContact O-N 2.69Å; R544-F546 VanDerWaalsContact C-N 3.28Å; R544-F546 PolarHBondContact O-N 3.22Å; F546-D548 VanDerWaalsContact C-N 3.33Å; F546-D548 PolarHBondContact O-N 3.4Å; F546-C549 WeakPolarHBondContact O-CA 3.43Å; F546-C549 VanDerWaalsContact O-CB 3.27Å; F546-C549 WeakPolarHBondContact O-CB 3.34Å; F546-C549 PolarHBondContact O-N 3.41Å; F546-A551 PolarHBondContact O-N 2.9Å; F546-P554 HydrophobicContact CD2-CG 4.06Å; F546-P554 HydrophobicContact CE2-CG 4.46Å; F546-V573 HydrophobicContact CE2-CG1 4.12Å; F546-V573 HydrophobicContact CE2-CG2 4.09Å; F546-V573 HydrophobicContact CZ-CG2 4.03Å; F546-W575 HydrophobicContact CD1-CH2 4.06Å; F546-W575 HydrophobicContact CD1-CZ2 4.05Å; F546-W575 HydrophobicContact CD2-CH2 4.46Å; F546-W575 AromaticContact CE1-CH2 3.76Å; F546-W575 HydrophobicContact CE1-CH2 3.76Å; F546-W575 HydrophobicContact CE1-CZ2 4.23Å; F546-W575 HydrophobicContact CE2-CH2 4.2Å; F546-W575 HydrophobicContact CG-CH2 4.41Å; F546-W575 HydrophobicContact CG-CZ2 4.21Å; F546-W575 AromaticContact CZ-CH2 3.85Å; F546-W575 HydrophobicContact CZ-CH2 3.85Å; F546-A584 HydrophobicContact CD1-CB 3.89Å; F546-A584 HydrophobicContact CE1-CB 4.01Å; F546-A588 HydrophobicContact CD1-CB 3.59Å; F546-A588 HydrophobicContact CE1-CB 3.52Å; F546-I606 HydrophobicContact CE1-CD1 3.92Å; F546-I606 HydrophobicContact CZ-CD1 4.05Å
547	S	93.5	Very high	91.1	Very high	58 Å²	58	34 Å²	34	41%	0.406	20%	0.2	S	C	.	.	H	α-helix	trans	-61.7	-37.7	176.5	-64.6	0	0	0	0	112.9	C543 R544 C549 G550	C543-S547 PolarHBondContact O-N 3.27Å; C543-S547 PolarHBondContact O-OG 3.05Å; R544-S547 PolarHBondContact O-N 3.13Å; R544-S547 VanDerWaalsContact O-N 3.16Å; S547-C549 PolarHBondContact O-N 3.49Å; S547-C549 VanDerWaalsContact O-N 3.12Å; S547-G550 PolarHBondContact O-N 2.93Å
548	D	90.8	Very high	91.3	Very high	81 Å²	81	34.1 Å²	34.1	43%	0.433	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-12	174.5	-70	-13.2	0	0	0	112.7	R544 F546 R591	R544-D548 WeakPolarHBondContact O-CB 3.19Å; R544-D548 PolarHBondContact O-N 3.3Å; F546-D548 VanDerWaalsContact C-N 3.33Å; F546-D548 PolarHBondContact O-N 3.4Å; D548-R591 VanDerWaalsContact O-CZ 3.22Å; D548-R591 PolarHBondContact O-NH1 3.22Å; D548-R591 PolarHBondContact O-NH2 3.32Å
549	C	89.6	Confident	91.4	Very high	15 Å²	15	34.7 Å²	34.7	10%	0.101	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-3.1	170.7	-52.2	0	0	0	0	113.9	V545 F546 S547 A551 L587 A588 R591	V545-C549 PolarHBondContact O-SG 2.67Å; F546-C549 WeakPolarHBondContact O-CA 3.43Å; F546-C549 VanDerWaalsContact O-CB 3.27Å; F546-C549 WeakPolarHBondContact O-CB 3.34Å; F546-C549 PolarHBondContact O-N 3.41Å; S547-C549 PolarHBondContact O-N 3.49Å; S547-C549 VanDerWaalsContact O-N 3.12Å; C549-A551 PolarHBondContact O-N 2.69Å; C549-L587 HydrophobicContact CB-CB 3.87Å; C549-A588 HydrophobicContact CB-CB 4.42Å; C549-R591 VanDerWaalsContact CA-NH1 3.25Å; C549-R591 WeakPolarHBondContact SG-CD 3.31Å; C549-R591 PolarHBondContact SG-NH1 2.9Å
550	G	91.3	Very high	91.3	Very high	61 Å²	61	36.7 Å²	36.7	63%	0.629	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.7	24.2	-169	0	0	0	0	0	112.9	S547	S547-G550 PolarHBondContact O-N 2.93Å
551	A	92.7	Very high	90.9	Very high	8 Å²	8	39.1 Å²	39.1	7%	0.066	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-98	149.4	170.6	0	0	0	0	0	110.2	F546 C549 A584 L587	F546-A551 PolarHBondContact O-N 2.9Å; C549-A551 PolarHBondContact O-N 2.69Å; A551-A584 HydrophobicContact CB-CB 3.97Å; A551-L587 HydrophobicContact CB-CB 4.48Å; A551-L587 HydrophobicContact CB-CD1 4.12Å
552	T	92.3	Very high	90.3	Very high	64 Å²	64	41.3 Å²	41.3	39%	0.393	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-56.6	129.4	172.2	-52.5	0	0	0	0	109.8	W575	T552-W575 PolarHBondContact O-NE1 3.09Å
553	P	93.1	Very high	89.7	Confident	55 Å²	55	49.1 Å²	49.1	36%	0.357	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-64.7	139.3	176.3	25.9	-33.6	0	0	0	110.6	C543	C543-P553 HydrophobicContact CB-CB 4.09Å
554	P	92.9	Very high	88.9	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.013	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-66.8	128.1	-177	23.3	-31.3	0	0	0	112	F546 R556 V557 V573 W575	F546-P554 HydrophobicContact CD2-CG 4.06Å; F546-P554 HydrophobicContact CE2-CG 4.46Å; P554-R556 PolarHBondContact O-N 3.13Å; P554-V557 HydrophobicContact CB-CG2 4.38Å; P554-V557 HydrophobicContact CG-CG2 3.91Å; P554-V573 HydrophobicContact CB-CB 3.84Å; P554-V573 HydrophobicContact CB-CG1 4.15Å; P554-V573 HydrophobicContact CG-CB 3.96Å; P554-V573 HydrophobicContact CG-CG1 3.74Å; P554-W575 HydrophobicContact CB-CD2 4.12Å; P554-W575 HydrophobicContact CB-CE3 4.42Å; P554-W575 HydrophobicContact CB-CH2 4.02Å; P554-W575 HydrophobicContact CB-CZ2 3.68Å; P554-W575 HydrophobicContact CB-CZ3 4.37Å; P554-W575 HydrophobicContact CG-CH2 4.29Å; P554-W575 HydrophobicContact CG-CZ2 3.98Å
555	P	87	Confident	88.2	Confident	8 Å²	8	50.8 Å²	50.8	5%	0.052	33%	0.328	C	S	.	.	S	Bend	trans	-61.5	-28.8	176.3	21.6	-32.7	0	0	0	113.4	E574 S621 L622 I623	P555-E574 WeakPolarHBondContact CD-O 3.43Å; P555-E574 VanDerWaalsContact CG-O 3.32Å; P555-E574 WeakPolarHBondContact CG-O 3.16Å; P555-S621 WeakPolarHBondContact O-CA 3.37Å; P555-L622 PolarHBondContact O-N 3.19Å; P555-I623 HydrophobicContact CB-CB 3.94Å; P555-I623 HydrophobicContact CB-CD1 4.06Å; P555-I623 HydrophobicContact CB-CG1 4.18Å
556	R	88.6	Confident	87.5	Confident	34 Å²	34	52.6 Å²	52.6	13%	0.128	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	124.4	-174.9	-60.3	170.4	177.5	-111.2	-12.8	110.3	P554 V573 E574 I613 D615	P554-R556 PolarHBondContact O-N 3.13Å; R556-V573 WeakPolarHBondContact O-CA 3.3Å; R556-E574 HydrophobicContact CB-CB 4.17Å; R556-E574 PolarHBondContact N-O 2.83Å; R556-E574 PolarHBondContact O-N 2.91Å; R556-I613 HydrophobicContact CB-CD1 3.85Å; R556-I613 PolarHBondContact NH1-O 2.94Å; R556-D615 IonicContact CZ-OD1 3.75Å; R556-D615 IonicContact NH1-OD1 2.73Å; R556-D615 PolarHBondContact NH1-OD1 2.66Å; R556-D615 IonicContact NH2-OD1 3.39Å
557	V	91.8	Very high	87	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.006	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	128.8	176.9	-170.9	0	0	0	0	111	P539 I542 P554 I559 V573 G619 I620	P539-V557 HydrophobicContact CB-CB 4.07Å; P539-V557 HydrophobicContact CB-CG1 4.14Å; I542-V557 HydrophobicContact CB-CG1 4.35Å; I542-V557 HydrophobicContact CG2-CG1 4.23Å; P554-V557 HydrophobicContact CB-CG2 4.38Å; P554-V557 HydrophobicContact CG-CG2 3.91Å; V557-I559 HydrophobicContact CG1-CG1 4.14Å; V557-V573 HydrophobicContact CB-CG1 4.48Å; V557-V573 HydrophobicContact CG1-CG1 4.04Å; V557-V573 HydrophobicContact CG2-CG1 4.15Å; V557-G619 WeakPolarHBondContact O-CA 3.33Å; V557-I620 PolarHBondContact O-N 2.73Å
558	V	90.4	Very high	86.8	Confident	16 Å²	16	59.6 Å²	59.6	10%	0.097	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	110.6	171.4	178.9	0	0	0	0	108.6	F560 G571 L572 I613	V558-F560 HydrophobicContact CG1-CD1 3.91Å; V558-F560 HydrophobicContact CG1-CE1 3.9Å; V558-G571 CarbonylContact O-C 3.58Å; V558-G571 WeakPolarHBondContact O-CA 3.37Å; V558-L572 HydrophobicContact CB-CB 4.42Å; V558-L572 PolarHBondContact N-O 3.23Å; V558-L572 PolarHBondContact O-N 2.65Å; V558-I613 HydrophobicContact CG2-CB 4.43Å; V558-I613 HydrophobicContact CG2-CD1 4.07Å; V558-I613 HydrophobicContact CG2-CG1 4.12Å; V558-I613 HydrophobicContact CG2-CG2 3.52Å
559	I	89.9	Confident	86.7	Confident	47 Å²	47	55.9 Å²	55.9	24%	0.241	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	127.4	171.3	-53.3	-168.4	0	0	0	108.5	F530 F537 S538 P539 I542 V557 S569	F530-I559 HydrophobicContact CZ-CG1 4.21Å; F537-I559 WeakPolarHBondContact O-CD1 3.45Å; S538-I559 VanDerWaalsContact C-CD1 3.41Å; P539-I559 HydrophobicContact CG-CD1 4.3Å; I542-I559 HydrophobicContact CG1-CD1 3.96Å; V557-I559 HydrophobicContact CG1-CG1 4.14Å; I559-S569 VanDerWaalsContact CG2-OG 3.24Å; I559-S569 WeakPolarHBondContact CG2-OG 3.29Å
560	F	88.6	Confident	86.8	Confident	66 Å²	66	57.3 Å²	57.3	29%	0.289	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-77.7	141.9	179.8	-62.5	-16.6	0	0	0	111	V558 S562 L570 L572	V558-F560 HydrophobicContact CG1-CD1 3.91Å; V558-F560 HydrophobicContact CG1-CE1 3.9Å; F560-S562 PolarHBondContact O-N 3.33Å; F560-L570 WeakPolarHBondContact CB-O 3.38Å; F560-L570 HydrophobicContact CD2-CD1 3.69Å; F560-L570 HydrophobicContact CD2-CG 4.32Å; F560-L570 HydrophobicContact CE2-CD1 4.24Å; F560-L570 PolarHBondContact N-O 3.42Å; F560-L572 HydrophobicContact CE1-CD1 4.32Å; F560-L572 HydrophobicContact CE1-CG 4.01Å; F560-L572 HydrophobicContact CZ-CD1 4.13Å; F560-L572 HydrophobicContact CZ-CD2 4.26Å; F560-L572 HydrophobicContact CZ-CG 3.72Å
561	T	82.1	Confident	86.9	Confident	132 Å²	132	54.4 Å²	54.4	81%	0.81	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-60.5	123.5	177.2	44.1	0	0	0	0	110.5	K563	T561-K563 PolarHBondContact O-N 2.85Å
562	S	78.9	Confident	87	Confident	58 Å²	58	55.2 Å²	55.2	41%	0.406	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-68.1	125.3	-178	-69.2	0	0	0	0	110.6	F560	F560-S562 PolarHBondContact O-N 3.33Å
563	K	79.3	Confident	87.1	Confident	167 Å²	167	52.2 Å²	52.2	73%	0.726	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-74.1	158.8	176.7	-64.9	177.8	179.7	177	0	110.8	T561 G565 Q566	T561-K563 PolarHBondContact O-N 2.85Å; K563-G565 PolarHBondContact O-N 3.26Å; K563-Q566 HydrophobicContact CB-CB 4.43Å; K563-Q566 WeakPolarHBondContact O-CB 3.31Å; K563-Q566 PolarHBondContact O-N 2.77Å
564	A	77.2	Confident	87.1	Confident	110 Å²	110	49.7 Å²	49.7	91%	0.909	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	131	171.9	0	0	0	0	0	110.7	Q566	A564-Q566 VanDerWaalsContact C-N 3.28Å; A564-Q566 PolarHBondContact O-N 3.24Å
565	G	76.3	Confident	87.1	Confident	77 Å²	77	49.6 Å²	49.6	79%	0.794	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	-3.2	-176.6	0	0	0	0	0	116.1	K563 K567	K563-G565 PolarHBondContact O-N 3.26Å; G565-K567 PolarHBondContact O-N 2.88Å
566	Q	78.1	Confident	87.1	Confident	43 Å²	43	51.6 Å²	51.6	20%	0.201	30%	0.297	C	S	.	.			trans	-69.5	125.3	176.1	-174.5	174.7	-37	0	0	110.6	K563 A564 T568 L570	K563-Q566 HydrophobicContact CB-CB 4.43Å; K563-Q566 WeakPolarHBondContact O-CB 3.31Å; K563-Q566 PolarHBondContact O-N 2.77Å; A564-Q566 VanDerWaalsContact C-N 3.28Å; A564-Q566 PolarHBondContact O-N 3.24Å; Q566-T568 VanDerWaalsContact CG-O 3.25Å; Q566-T568 WeakPolarHBondContact CG-O 3.46Å; Q566-T568 PolarHBondContact NE2-O 3.46Å; Q566-L570 VanDerWaalsContact NE2-CD2 3.31Å
567	K	82	Confident	87.2	Confident	176 Å²	176	53 Å²	53	77%	0.765	31%	0.309	S	S	*	.			trans	-92.6	-12	-174.5	-63.2	-173.2	180	-177.5	0	115	L535 G565	L535-K567 WeakPolarHBondContact CG-O 3.36Å; G565-K567 PolarHBondContact O-N 2.88Å
568	T	89.2	Confident	87.2	Confident	31 Å²	31	55.9 Å²	55.9	19%	0.19	32%	0.324	C	S	.	.	S	Bend	trans	-146.8	149.1	-172.7	42.7	0	0	0	0	111.2	A533 Q566 F602	A533-T568 CarbonylContact O-C 3.54Å; A533-T568 VanDerWaalsContact O-CA 3.27Å; A533-T568 WeakPolarHBondContact O-CA 3.43Å; A533-T568 WeakPolarHBondContact O-CB 3.4Å; A533-T568 WeakPolarHBondContact O-CG2 3.24Å; Q566-T568 VanDerWaalsContact CG-O 3.25Å; Q566-T568 WeakPolarHBondContact CG-O 3.46Å; Q566-T568 PolarHBondContact NE2-O 3.46Å; T568-F602 HydrophobicContact CG2-CD1 3.86Å; T568-F602 HydrophobicContact CG2-CE1 3.87Å
569	S	89.4	Confident	87.4	Confident	2 Å²	2	57 Å²	57	1%	0.014	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	153.6	173.2	-168.5	0	0	0	0	111.6	N532 A533 P534 I559	N532-S569 PolarHBondContact N-O 2.71Å; A533-S569 PolarHBondContact N-O 2.79Å; A533-S569 VanDerWaalsContact N-O 3.16Å; A533-S569 PolarHBondContact O-N 3.15Å; P534-S569 WeakPolarHBondContact O-CB 3.27Å; I559-S569 VanDerWaalsContact CG2-OG 3.24Å; I559-S569 WeakPolarHBondContact CG2-OG 3.29Å
570	L	93	Very high	87.6	Confident	45 Å²	45	57.1 Å²	57.1	24%	0.236	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	160.8	172.7	61	130	0	0	0	109.9	H529 F530 F531 F560 Q566	H529-L570 WeakPolarHBondContact NE2-CD1 3.46Å; F530-L570 CarbonylContact O-C 3.59Å; F530-L570 WeakPolarHBondContact O-CA 3.34Å; F530-L570 VanDerWaalsContact O-CB 3.26Å; F530-L570 WeakPolarHBondContact O-CB 3.34Å; F531-L570 HydrophobicContact CB-CB 3.68Å; F560-L570 WeakPolarHBondContact CB-O 3.38Å; F560-L570 HydrophobicContact CD2-CD1 3.69Å; F560-L570 HydrophobicContact CD2-CG 4.32Å; F560-L570 HydrophobicContact CE2-CD1 4.24Å; F560-L570 PolarHBondContact N-O 3.42Å; Q566-L570 VanDerWaalsContact NE2-CD2 3.31Å
571	G	92.3	Very high	88	Confident	0 Å²	0	54 Å²	54	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.9	-164.1	-174.5	0	0	0	0	0	113.5	H529 F530 V558	H529-G571 WeakPolarHBondContact CA-O 3.3Å; H529-G571 PolarHBondContact CD2-O 3.08Å; H529-G571 VanDerWaalsContact CD2-O 3.31Å; F530-G571 WeakPolarHBondContact CD1-O 3.38Å; F530-G571 VanDerWaalsContact CE1-C 3.42Å; F530-G571 VanDerWaalsContact CE1-CA 3.49Å; F530-G571 PolarHBondContact N-O 2.76Å; F530-G571 PolarHBondContact O-N 3.36Å; V558-G571 CarbonylContact O-C 3.58Å; V558-G571 WeakPolarHBondContact O-CA 3.37Å
572	L	94.2	Very high	88.7	Confident	26 Å²	26	47.7 Å²	47.7	14%	0.136	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	145.8	175.8	-58.7	176.3	0	0	0	110.8	T527 L528 H529 V558 F560 I613	T527-L572 HydrophobicContact CG2-CB 4.18Å; T527-L572 HydrophobicContact CG2-CD1 4.42Å; T527-L572 HydrophobicContact CG2-CD2 4.22Å; T527-L572 HydrophobicContact CG2-CG 4.5Å; L528-L572 WeakPolarHBondContact O-CA 3.19Å; H529-L572 HydrophobicContact CB-CD2 3.91Å; V558-L572 HydrophobicContact CB-CB 4.42Å; V558-L572 PolarHBondContact N-O 3.23Å; V558-L572 PolarHBondContact O-N 2.65Å; F560-L572 HydrophobicContact CE1-CD1 4.32Å; F560-L572 HydrophobicContact CE1-CG 4.01Å; F560-L572 HydrophobicContact CZ-CD1 4.13Å; F560-L572 HydrophobicContact CZ-CD2 4.26Å; F560-L572 HydrophobicContact CZ-CG 3.72Å; L572-I613 HydrophobicContact CB-CD1 3.84Å; L572-I613 HydrophobicContact CB-CG1 3.83Å; L572-I613 HydrophobicContact CD1-CG1 4.18Å
573	V	95	Very high	89.5	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	140.6	165.7	-73.3	0	0	0	0	108.4	T527 L528 F530 I542 F546 P554 R556 V557 W575	T527-V573 CarbonylContact C-O 3.57Å; T527-V573 WeakPolarHBondContact CA-O 3.28Å; L528-V573 HydrophobicContact CB-CG2 3.98Å; L528-V573 PolarHBondContact N-O 2.89Å; L528-V573 PolarHBondContact O-N 2.91Å; F530-V573 HydrophobicContact CD1-CG1 3.96Å; F530-V573 HydrophobicContact CD1-CG2 4.38Å; F530-V573 HydrophobicContact CE1-CG1 4.1Å; I542-V573 HydrophobicContact CG2-CG1 3.76Å; F546-V573 HydrophobicContact CE2-CG1 4.12Å; F546-V573 HydrophobicContact CE2-CG2 4.09Å; F546-V573 HydrophobicContact CZ-CG2 4.03Å; P554-V573 HydrophobicContact CB-CB 3.84Å; P554-V573 HydrophobicContact CB-CG1 4.15Å; P554-V573 HydrophobicContact CG-CB 3.96Å; P554-V573 HydrophobicContact CG-CG1 3.74Å; R556-V573 WeakPolarHBondContact O-CA 3.3Å; V557-V573 HydrophobicContact CB-CG1 4.48Å; V557-V573 HydrophobicContact CG1-CG1 4.04Å; V557-V573 HydrophobicContact CG2-CG1 4.15Å; V573-W575 HydrophobicContact CB-CH2 4.11Å; V573-W575 HydrophobicContact CB-CZ3 3.98Å; V573-W575 HydrophobicContact CG2-CH2 3.71Å; V573-W575 HydrophobicContact CG2-CZ3 3.55Å
574	E	94.2	Very high	90.4	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.009	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	139.1	178.6	-179.8	171.6	-155.2	0	0	111.2	R526 T527 P555 R556 P612 I613	R526-E574 HydrophobicContact CB-CG 4.3Å; R526-E574 IonicContact CZ-OE1 3.39Å; R526-E574 IonicContact NE-OE1 3.62Å; R526-E574 IonicContact NH2-OE1 3.77Å; R526-E574 PolarHBondContact NH2-OE1 3.21Å; R526-E574 WeakPolarHBondContact O-CA 3.47Å; T527-E574 HydrophobicContact CG2-CB 4.23Å; T527-E574 VanDerWaalsContact OG1-CG 3.28Å; T527-E574 WeakPolarHBondContact OG1-CG 3.39Å; T527-E574 PolarHBondContact OG1-OE1 3.44Å; P555-E574 WeakPolarHBondContact CD-O 3.43Å; P555-E574 VanDerWaalsContact CG-O 3.32Å; P555-E574 WeakPolarHBondContact CG-O 3.16Å; R556-E574 HydrophobicContact CB-CB 4.17Å; R556-E574 PolarHBondContact N-O 2.83Å; R556-E574 PolarHBondContact O-N 2.91Å; E574-P612 WeakPolarHBondContact OE1-CB 3.19Å; E574-I613 HydrophobicContact CB-CD1 3.81Å; E574-I613 HydrophobicContact CB-CG1 4.14Å; E574-I613 PolarHBondContact OE2-N 3.05Å
575	W	92.4	Very high	91.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.189	C	C	.	.			trans	-107.4	162.7	173.1	-70.9	-99.4	0	0	0	112	R526 L528 F546 T552 P554 V573 E580 A581 A584	R526-W575 PolarHBondContact O-N 3.17Å; L528-W575 HydrophobicContact CB-CZ3 4.49Å; L528-W575 HydrophobicContact CD1-CE3 4.45Å; L528-W575 HydrophobicContact CD1-CH2 4.08Å; L528-W575 HydrophobicContact CD1-CZ3 3.55Å; L528-W575 HydrophobicContact CG-CZ3 3.86Å; F546-W575 HydrophobicContact CD1-CH2 4.06Å; F546-W575 HydrophobicContact CD1-CZ2 4.05Å; F546-W575 HydrophobicContact CD2-CH2 4.46Å; F546-W575 AromaticContact CE1-CH2 3.76Å; F546-W575 HydrophobicContact CE1-CH2 3.76Å; F546-W575 HydrophobicContact CE1-CZ2 4.23Å; F546-W575 HydrophobicContact CE2-CH2 4.2Å; F546-W575 HydrophobicContact CG-CH2 4.41Å; F546-W575 HydrophobicContact CG-CZ2 4.21Å; F546-W575 AromaticContact CZ-CH2 3.85Å; F546-W575 HydrophobicContact CZ-CH2 3.85Å; T552-W575 PolarHBondContact O-NE1 3.09Å; P554-W575 HydrophobicContact CB-CD2 4.12Å; P554-W575 HydrophobicContact CB-CE3 4.42Å; P554-W575 HydrophobicContact CB-CH2 4.02Å; P554-W575 HydrophobicContact CB-CZ2 3.68Å; P554-W575 HydrophobicContact CB-CZ3 4.37Å; P554-W575 HydrophobicContact CG-CH2 4.29Å; P554-W575 HydrophobicContact CG-CZ2 3.98Å; V573-W575 HydrophobicContact CB-CH2 4.11Å; V573-W575 HydrophobicContact CB-CZ3 3.98Å; V573-W575 HydrophobicContact CG2-CH2 3.71Å; V573-W575 HydrophobicContact CG2-CZ3 3.55Å; W575-E580 HydrophobicContact CB-CB 3.91Å; W575-E580 HydrophobicContact CG-CB 3.81Å; W575-A581 HydrophobicContact CB-CB 4.33Å; W575-A581 HydrophobicContact CD2-CB 4.24Å; W575-A581 HydrophobicContact CE3-CB 3.71Å; W575-A581 HydrophobicContact CZ3-CB 4.41Å; W575-A584 HydrophobicContact CH2-CB 3.49Å; W575-A584 VanDerWaalsContact CH2-CB 3.49Å; W575-A584 HydrophobicContact CZ2-CB 3.28Å; W575-A584 HydrophobicContact CZ3-CB 4.23Å
576	D	85.8	Confident	92.3	Very high	51 Å²	51	29.9 Å²	29.9	27%	0.273	15%	0.152	S	C	.	.	S	Bend	trans	-74	-31.4	178.3	-71.8	-57.1	0	0	0	112.2	R526	R526-D576 VanDerWaalsContact CD-O 3.32Å; R526-D576 WeakPolarHBondContact CD-O 3.45Å; R526-D576 PolarHBondContact NH1-O 3.13Å
577	T	90.6	Very high	93.1	Very high	64 Å²	64	28.8 Å²	28.8	39%	0.393	15%	0.147	S	C	.	.	S	Bend	trans	-109.9	159.2	172.2	73.8	0	0	0	0	113.6	E580	T577-E580 WeakPolarHBondContact CB-OE2 3.45Å; T577-E580 WeakPolarHBondContact CG2-OE2 3.28Å; T577-E580 PolarHBondContact N-OE2 3.4Å; T577-E580 VanDerWaalsContact OG1-CD 3.3Å; T577-E580 VanDerWaalsContact OG1-CG 3.23Å; T577-E580 WeakPolarHBondContact OG1-CG 3.12Å; T577-E580 PolarHBondContact OG1-N 2.86Å; T577-E580 VanDerWaalsContact OG1-N 3.1Å; T577-E580 PolarHBondContact OG1-OE2 2.85Å
578	L	92.6	Very high	93.7	Very high	60 Å²	60	20.4 Å²	20.4	31%	0.314	11%	0.111	S	C	.	.	H	α-helix	trans	-70.5	-35.5	171	177.4	61.6	0	0	0	111.6	P524 R526 A581 L582	P524-L578 HydrophobicContact CB-CD1 3.91Å; P524-L578 HydrophobicContact CB-CD2 4.18Å; R526-L578 HydrophobicContact CG-CB 4.33Å; L578-A581 PolarHBondContact O-N 2.86Å; L578-L582 HydrophobicContact CD1-CD1 4.14Å; L578-L582 HydrophobicContact CD1-CG 4.11Å; L578-L582 HydrophobicContact CD2-CD1 4.42Å; L578-L582 HydrophobicContact CG-CD1 3.85Å; L578-L582 HydrophobicContact CG-CG 4.28Å; L578-L582 WeakPolarHBondContact O-CG 3.43Å; L578-L582 PolarHBondContact O-N 3.33Å
579	T	94.6	Very high	93.9	Very high	40 Å²	40	19.1 Å²	19.1	25%	0.245	10%	0.103	C	C	.	.	H	α-helix	trans	-59.9	-50.8	178.7	-69.5	0	0	0	0	111.3	C467 A581 L582 E583	C467-T579 WeakPolarHBondContact O-CB 3.33Å; C467-T579 WeakPolarHBondContact O-CG2 3.37Å; C467-T579 PolarHBondContact O-OG1 2.95Å; T579-A581 VanDerWaalsContact C-N 3.31Å; T579-A581 PolarHBondContact O-N 3.11Å; T579-L582 PolarHBondContact O-N 2.85Å; T579-L582 VanDerWaalsContact O-N 3.11Å; T579-E583 HydrophobicContact CG2-CG 4.32Å; T579-E583 WeakPolarHBondContact CG2-OE1 3.22Å; T579-E583 WeakPolarHBondContact O-CB 3.48Å; T579-E583 VanDerWaalsContact O-CG 3.27Å; T579-E583 WeakPolarHBondContact O-CG 3.5Å; T579-E583 PolarHBondContact O-N 3.2Å
580	E	94.4	Very high	94	Very high	49 Å²	49	19.5 Å²	19.5	23%	0.229	10%	0.104	C	C	.	.	H	α-helix	trans	-59.2	-40.4	177.5	-66.4	160.1	114.7	0	0	112.8	W575 T577 E583 A584	W575-E580 HydrophobicContact CB-CB 3.91Å; W575-E580 HydrophobicContact CG-CB 3.81Å; T577-E580 WeakPolarHBondContact CB-OE2 3.45Å; T577-E580 WeakPolarHBondContact CG2-OE2 3.28Å; T577-E580 PolarHBondContact N-OE2 3.4Å; T577-E580 VanDerWaalsContact OG1-CD 3.3Å; T577-E580 VanDerWaalsContact OG1-CG 3.23Å; T577-E580 WeakPolarHBondContact OG1-CG 3.12Å; T577-E580 PolarHBondContact OG1-N 2.86Å; T577-E580 VanDerWaalsContact OG1-N 3.1Å; T577-E580 PolarHBondContact OG1-OE2 2.85Å; E580-E583 PolarHBondContact O-N 3Å; E580-A584 VanDerWaalsContact O-CB 3.27Å; E580-A584 WeakPolarHBondContact O-CB 3.48Å; E580-A584 PolarHBondContact O-N 2.9Å
581	A	96	Very high	93.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64.9	-38.6	176.4	0	0	0	0	0	112.3	R526 L528 W575 L578 T579 L585	R526-A581 WeakPolarHBondContact O-CB 3.39Å; L528-A581 WeakPolarHBondContact CD1-O 3.46Å; L528-A581 HydrophobicContact CD2-CB 4.43Å; L528-A581 HydrophobicContact CG-CB 4.47Å; W575-A581 HydrophobicContact CB-CB 4.33Å; W575-A581 HydrophobicContact CD2-CB 4.24Å; W575-A581 HydrophobicContact CE3-CB 3.71Å; W575-A581 HydrophobicContact CZ3-CB 4.41Å; L578-A581 PolarHBondContact O-N 2.86Å; T579-A581 VanDerWaalsContact C-N 3.31Å; T579-A581 PolarHBondContact O-N 3.11Å; A581-L585 WeakPolarHBondContact O-CB 3.11Å; A581-L585 PolarHBondContact O-N 2.99Å
582	L	96.6	Very high	93.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-71.5	-38.4	175.9	-72.1	173.2	0	0	0	112.5	L426 F463 V466 V468 P524 L578 T579 L585 I586 F608	L426-L582 HydrophobicContact CD1-CD2 3.94Å; F463-L582 HydrophobicContact CE1-CD2 4.17Å; V466-L582 HydrophobicContact CG1-CD1 3.22Å; V468-L582 HydrophobicContact CG1-CB 3.66Å; V468-L582 HydrophobicContact CG1-CD1 4.08Å; P524-L582 HydrophobicContact CB-CD2 4.35Å; L578-L582 HydrophobicContact CD1-CD1 4.14Å; L578-L582 HydrophobicContact CD1-CG 4.11Å; L578-L582 HydrophobicContact CD2-CD1 4.42Å; L578-L582 HydrophobicContact CG-CD1 3.85Å; L578-L582 HydrophobicContact CG-CG 4.28Å; L578-L582 WeakPolarHBondContact O-CG 3.43Å; L578-L582 PolarHBondContact O-N 3.33Å; T579-L582 PolarHBondContact O-N 2.85Å; T579-L582 VanDerWaalsContact O-N 3.11Å; L582-L585 HydrophobicContact CD2-CD2 4.17Å; L582-L585 WeakPolarHBondContact O-CB 3.46Å; L582-L585 PolarHBondContact O-N 2.96Å; L582-I586 WeakPolarHBondContact O-CB 3.46Å; L582-I586 WeakPolarHBondContact O-CD1 3.24Å; L582-I586 WeakPolarHBondContact O-CG1 3.44Å; L582-I586 PolarHBondContact O-N 2.8Å; L582-F608 HydrophobicContact CD2-CE1 3.72Å; L582-F608 HydrophobicContact CD2-CZ 3.52Å
583	E	96.7	Very high	93.1	Very high	38 Å²	38	20.6 Å²	20.6	18%	0.178	11%	0.109	C	C	.	.	H	α-helix	trans	-63.4	-43.2	174	-70.8	-174.6	-166.1	0	0	111.3	V468 F469 T579 E580 I586 L587	V468-E583 HydrophobicContact CB-CG 4.49Å; F469-E583 VanDerWaalsContact CA-OE1 3.23Å; F469-E583 WeakPolarHBondContact CA-OE1 3.36Å; F469-E583 HydrophobicContact CD1-CB 4.22Å; F469-E583 HydrophobicContact CD1-CG 3.54Å; F469-E583 WeakPolarHBondContact CD1-OE2 3.26Å; F469-E583 HydrophobicContact CE1-CB 3.45Å; F469-E583 VanDerWaalsContact CE1-CB 3.45Å; F469-E583 HydrophobicContact CE1-CG 3.27Å; F469-E583 WeakPolarHBondContact CE1-OE2 3.3Å; F469-E583 HydrophobicContact CE2-CG 4.33Å; F469-E583 HydrophobicContact CG-CG 4.17Å; F469-E583 HydrophobicContact CZ-CB 3.77Å; F469-E583 HydrophobicContact CZ-CG 3.69Å; F469-E583 PolarHBondContact N-OE1 3.21Å; T579-E583 HydrophobicContact CG2-CG 4.32Å; T579-E583 WeakPolarHBondContact CG2-OE1 3.22Å; T579-E583 WeakPolarHBondContact O-CB 3.48Å; T579-E583 VanDerWaalsContact O-CG 3.27Å; T579-E583 WeakPolarHBondContact O-CG 3.5Å; T579-E583 PolarHBondContact O-N 3.2Å; E580-E583 PolarHBondContact O-N 3Å; E583-I586 PolarHBondContact O-N 3.37Å; E583-L587 WeakPolarHBondContact O-CB 3.31Å; E583-L587 WeakPolarHBondContact O-CD1 3.07Å; E583-L587 VanDerWaalsContact O-CG 3.3Å; E583-L587 WeakPolarHBondContact O-CG 3.3Å; E583-L587 PolarHBondContact O-N 3.02Å
584	A	97.1	Very high	92.7	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64.3	-40.3	173.3	0	0	0	0	0	112.9	F546 A551 W575 E580 L587 A588	F546-A584 HydrophobicContact CD1-CB 3.89Å; F546-A584 HydrophobicContact CE1-CB 4.01Å; A551-A584 HydrophobicContact CB-CB 3.97Å; W575-A584 HydrophobicContact CH2-CB 3.49Å; W575-A584 VanDerWaalsContact CH2-CB 3.49Å; W575-A584 HydrophobicContact CZ2-CB 3.28Å; W575-A584 HydrophobicContact CZ3-CB 4.23Å; E580-A584 VanDerWaalsContact O-CB 3.27Å; E580-A584 WeakPolarHBondContact O-CB 3.48Å; E580-A584 PolarHBondContact O-N 2.9Å; A584-L587 PolarHBondContact O-N 2.88Å; A584-A588 VanDerWaalsContact O-CB 3.24Å; A584-A588 WeakPolarHBondContact O-CB 3.45Å; A584-A588 PolarHBondContact O-N 3.29Å
585	L	97.2	Very high	92.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-58.8	-51.1	172.2	170.9	69.1	0	0	0	111.2	L426 L429 L528 A581 L582 L587 N589 I606 F608	L426-L585 HydrophobicContact CD1-CD2 4.17Å; L429-L585 HydrophobicContact CD1-CD1 3.94Å; L429-L585 HydrophobicContact CD1-CD2 3.54Å; L429-L585 HydrophobicContact CD1-CG 4.36Å; L528-L585 HydrophobicContact CD1-CB 4.11Å; A581-L585 WeakPolarHBondContact O-CB 3.11Å; A581-L585 PolarHBondContact O-N 2.99Å; L582-L585 HydrophobicContact CD2-CD2 4.17Å; L582-L585 WeakPolarHBondContact O-CB 3.46Å; L582-L585 PolarHBondContact O-N 2.96Å; L585-L587 VanDerWaalsContact C-N 3.29Å; L585-L587 PolarHBondContact O-N 2.83Å; L585-N589 HydrophobicContact CD1-CB 4.12Å; L585-N589 WeakPolarHBondContact O-CB 3.48Å; L585-N589 PolarHBondContact O-N 3.33Å; L585-N589 VanDerWaalsContact O-N 3.14Å; L585-I606 HydrophobicContact CD1-CB 3.87Å; L585-I606 HydrophobicContact CD1-CG2 3.7Å; L585-F608 HydrophobicContact CD2-CE1 3.99Å; L585-F608 HydrophobicContact CD2-CE2 4.32Å; L585-F608 HydrophobicContact CD2-CZ 3.56Å
586	I	96.4	Very high	91.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-57.6	-43.7	-178.9	-73.7	162.3	0	0	0	111	M418 H422 N425 L426 V468 F469 L582 E583	M418-I586 HydrophobicContact CE-CD1 4.08Å; M418-I586 HydrophobicContact CE-CG2 4.36Å; M418-I586 HydrophobicContact SD-CD1 4.37Å; H422-I586 HydrophobicContact CB-CG2 3.58Å; N425-I586 PolarHBondContact ND2-O 3.34Å; L426-I586 HydrophobicContact CB-CG1 4.07Å; L426-I586 HydrophobicContact CD1-CD1 4.13Å; L426-I586 HydrophobicContact CD1-CG1 4.03Å; L426-I586 HydrophobicContact CD2-CD1 4.34Å; L426-I586 HydrophobicContact CG-CG1 4.48Å; V468-I586 HydrophobicContact CB-CD1 4.21Å; V468-I586 HydrophobicContact CG1-CD1 4.05Å; V468-I586 HydrophobicContact CG2-CD1 4.39Å; F469-I586 HydrophobicContact CE2-CB 4.37Å; F469-I586 HydrophobicContact CE2-CD1 3.91Å; F469-I586 HydrophobicContact CE2-CG2 3.95Å; F469-I586 HydrophobicContact CZ-CB 4.33Å; F469-I586 HydrophobicContact CZ-CD1 4.43Å; F469-I586 HydrophobicContact CZ-CG2 4.14Å; L582-I586 WeakPolarHBondContact O-CB 3.46Å; L582-I586 WeakPolarHBondContact O-CD1 3.24Å; L582-I586 WeakPolarHBondContact O-CG1 3.44Å; L582-I586 PolarHBondContact O-N 2.8Å; E583-I586 PolarHBondContact O-N 3.37Å
587	L	94.8	Very high	91.3	Very high	20 Å²	20	27.4 Å²	27.4	11%	0.105	17%	0.168	C	C	.	.	H	α-helix	trans	-86.9	-27.4	-171.2	-69.1	167.5	0	0	0	114.7	F469 C549 A551 E583 A584 L585	F469-L587 HydrophobicContact CE1-CD1 3.83Å; F469-L587 HydrophobicContact CE1-CG 4.46Å; F469-L587 HydrophobicContact CZ-CD1 3.85Å; F469-L587 HydrophobicContact CZ-CG 3.98Å; C549-L587 HydrophobicContact CB-CB 3.87Å; A551-L587 HydrophobicContact CB-CB 4.48Å; A551-L587 HydrophobicContact CB-CD1 4.12Å; E583-L587 WeakPolarHBondContact O-CB 3.31Å; E583-L587 WeakPolarHBondContact O-CD1 3.07Å; E583-L587 VanDerWaalsContact O-CG 3.3Å; E583-L587 WeakPolarHBondContact O-CG 3.3Å; E583-L587 PolarHBondContact O-N 3.02Å; A584-L587 PolarHBondContact O-N 2.88Å; L585-L587 VanDerWaalsContact C-N 3.29Å; L585-L587 PolarHBondContact O-N 2.83Å
588	A	94.3	Very high	90.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-110.5	-15.5	-173.4	0	0	0	0	0	115.2	F546 C549 A584 R591 L604 I606	F546-A588 HydrophobicContact CD1-CB 3.59Å; F546-A588 HydrophobicContact CE1-CB 3.52Å; C549-A588 HydrophobicContact CB-CB 4.42Å; A584-A588 VanDerWaalsContact O-CB 3.24Å; A584-A588 WeakPolarHBondContact O-CB 3.45Å; A584-A588 PolarHBondContact O-N 3.29Å; A588-R591 WeakPolarHBondContact O-CB 3.26Å; A588-R591 PolarHBondContact O-N 3.23Å; A588-L604 HydrophobicContact CB-CD2 4.44Å; A588-I606 HydrophobicContact CB-CD1 3.93Å
589	N	94.4	Very high	89.9	Confident	4 Å²	4	32.3 Å²	32.3	2%	0.021	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	141.6	179.7	-162.6	19.8	0	0	0	111.3	N425 L585 R591 I606	N425-N589 HydrophobicContact CB-CB 4.16Å; N425-N589 PolarHBondContact ND2-O 2.69Å; N425-N589 PolarHBondContact O-ND2 2.95Å; N425-N589 PolarHBondContact OD1-O 3.36Å; L585-N589 HydrophobicContact CD1-CB 4.12Å; L585-N589 WeakPolarHBondContact O-CB 3.48Å; L585-N589 PolarHBondContact O-N 3.33Å; L585-N589 VanDerWaalsContact O-N 3.14Å; N589-R591 PolarHBondContact O-N 2.7Å; N589-I606 HydrophobicContact CB-CB 4.26Å; N589-I606 HydrophobicContact CB-CD1 4.18Å; N589-I606 HydrophobicContact CB-CG1 4.27Å; N589-I606 PolarHBondContact OD1-N 2.89Å
590	H	91.4	Very high	88.9	Confident	11 Å²	11	36.7 Å²	36.7	5%	0.051	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	0.5	-173.8	-48	116.8	0	0	0	116.8	F424 N425 N507 H603 L604	F424-H590 AromaticContact CE1-CE1 3.82Å; F424-H590 AromaticContact CE1-ND1 3.92Å; N425-H590 PolarHBondContact OD1-ND1 3.31Å; N507-H590 VanDerWaalsContact CG-CD2 3.48Å; N507-H590 PolarHBondContact OD1-CD2 3.34Å; H590-H603 PolarHBondContact O-ND1 3.31Å; H590-L604 WeakPolarHBondContact CA-O 3.42Å; H590-L604 PolarHBondContact N-O 3.41Å
591	R	84.9	Confident	88.5	Confident	53 Å²	53	36 Å²	36	20%	0.2	21%	0.214	C	C	.	.			trans	-63.3	133.7	-175.6	-175.3	177.9	174.8	142	-13.1	112.5	T365 D548 C549 A588 N589 V593 H603 L604	T365-R591 VanDerWaalsContact CB-NH2 3.29Å; T365-R591 HydrophobicContact CG2-CG 4.44Å; T365-R591 PolarHBondContact OG1-NE 3.38Å; T365-R591 PolarHBondContact OG1-NH2 2.93Å; D548-R591 VanDerWaalsContact O-CZ 3.22Å; D548-R591 PolarHBondContact O-NH1 3.22Å; D548-R591 PolarHBondContact O-NH2 3.32Å; C549-R591 VanDerWaalsContact CA-NH1 3.25Å; C549-R591 WeakPolarHBondContact SG-CD 3.31Å; C549-R591 PolarHBondContact SG-NH1 2.9Å; A588-R591 WeakPolarHBondContact O-CB 3.26Å; A588-R591 PolarHBondContact O-N 3.23Å; N589-R591 PolarHBondContact O-N 2.7Å; R591-V593 PolarHBondContact O-N 3.38Å; R591-H603 WeakPolarHBondContact O-CA 3.41Å; R591-L604 PolarHBondContact O-N 3.29Å
592	P	87.7	Confident	88	Confident	36 Å²	36	37.6 Å²	37.6	23%	0.234	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	107.7	175.6	28.8	-33.6	0	0	0	112.8	T365 H594 P601	T365-P592 HydrophobicContact CG2-CG 4.15Å; P592-H594 PolarHBondContact O-N 3.48Å; P592-H594 PolarHBondContact O-ND1 2.54Å; P592-P601 HydrophobicContact CB-CB 3.6Å; P592-P601 HydrophobicContact CB-CG 3.79Å
593	V	87.1	Confident	87.6	Confident	5 Å²	5	38.7 Å²	38.7	3%	0.03	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	114.7	170	-177.4	0	0	0	0	109.3	I362 P534 F537 V545 R591 L595 P601 F602 L604	I362-V593 HydrophobicContact CG2-CG1 4.45Å; P534-V593 HydrophobicContact CG-CG1 4.24Å; F537-V593 HydrophobicContact CE1-CG1 4.46Å; F537-V593 HydrophobicContact CZ-CG1 3.87Å; V545-V593 HydrophobicContact CG1-CG2 3.87Å; V545-V593 HydrophobicContact CG2-CG1 4.11Å; V545-V593 HydrophobicContact CG2-CG2 3.95Å; R591-V593 PolarHBondContact O-N 3.38Å; V593-L595 HydrophobicContact CG1-CD2 4.37Å; V593-P601 CarbonylContact O-C 3.54Å; V593-P601 WeakPolarHBondContact O-CA 3.48Å; V593-P601 WeakPolarHBondContact O-CB 3.34Å; V593-F602 HydrophobicContact CB-CB 4.39Å; V593-F602 WeakPolarHBondContact CB-O 3.4Å; V593-F602 PolarHBondContact N-O 2.9Å; V593-F602 PolarHBondContact O-N 2.77Å; V593-L604 HydrophobicContact CG2-CB 4.43Å
594	H	86.5	Confident	87.3	Confident	49 Å²	49	37 Å²	37	23%	0.227	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	134.7	-179.5	-67.5	75	0	0	0	110.2	L363 P592	L363-H594 HydrophobicContact CB-CB 3.98Å; L363-H594 PolarHBondContact N-O 3.28Å; P592-H594 PolarHBondContact O-N 3.48Å; P592-H594 PolarHBondContact O-ND1 2.54Å
595	L	85.4	Confident	87.2	Confident	8 Å²	8	39.5 Å²	39.5	4%	0.042	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	144.9	179.3	-66.4	-168.5	0	0	0	112.1	I360 I362 P534 F537 V593 G597 Y598 F602	I360-L595 HydrophobicContact CG2-CD1 4.06Å; I360-L595 HydrophobicContact CG2-CD2 3.59Å; I360-L595 HydrophobicContact CG2-CG 4.45Å; I362-L595 HydrophobicContact CB-CD2 4.39Å; I362-L595 HydrophobicContact CG1-CD2 3.93Å; P534-L595 HydrophobicContact CB-CD1 3.53Å; P534-L595 HydrophobicContact CB-CG 4.5Å; P534-L595 HydrophobicContact CG-CD1 3.7Å; P534-L595 HydrophobicContact CG-CG 4.14Å; F537-L595 HydrophobicContact CE2-CD1 4.23Å; F537-L595 HydrophobicContact CE2-CD2 3.96Å; F537-L595 HydrophobicContact CZ-CD2 4.13Å; V593-L595 HydrophobicContact CG1-CD2 4.37Å; L595-G597 PolarHBondContact O-N 3.1Å; L595-Y598 HydrophobicContact CB-CD2 3.59Å; L595-Y598 HydrophobicContact CB-CE2 4.33Å; L595-Y598 HydrophobicContact CB-CG 4.21Å; L595-Y598 HydrophobicContact CD1-CD2 3.93Å; L595-Y598 HydrophobicContact CD1-CE2 3.91Å; L595-Y598 HydrophobicContact CG-CD2 4.4Å; L595-Y598 PolarHBondContact O-N 2.58Å; L595-F602 HydrophobicContact CD1-CE2 4.26Å
596	S	82.6	Confident	87.1	Confident	50 Å²	50	39.5 Å²	39.5	35%	0.35	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	126.7	169.9	64.2	0	0	0	0	111.2	I361	I361-S596 PolarHBondContact O-N 3.39Å
597	G	76.2	Confident	87	Confident	89 Å²	89	40.2 Å²	40.2	92%	0.918	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.6	-0.6	177.7	0	0	0	0	0	115.8	L595	L595-G597 PolarHBondContact O-N 3.1Å
598	Y	78.3	Confident	87.1	Confident	131 Å²	131	39.9 Å²	39.9	51%	0.514	23%	0.233	S	C	.	.			trans	-104.3	126.5	172.4	-72.1	-98	0	0	0	110.5	L595 H600 F602	L595-Y598 HydrophobicContact CB-CD2 3.59Å; L595-Y598 HydrophobicContact CB-CE2 4.33Å; L595-Y598 HydrophobicContact CB-CG 4.21Å; L595-Y598 HydrophobicContact CD1-CD2 3.93Å; L595-Y598 HydrophobicContact CD1-CE2 3.91Å; L595-Y598 HydrophobicContact CG-CD2 4.4Å; L595-Y598 PolarHBondContact O-N 2.58Å; Y598-H600 VanDerWaalsContact C-N 3.3Å; Y598-H600 PolarHBondContact O-N 3.06Å; Y598-F602 AromaticContact CD1-CE2 3.62Å; Y598-F602 HydrophobicContact CD1-CE2 3.62Å; Y598-F602 AromaticContact CD1-CZ 3.84Å; Y598-F602 HydrophobicContact CD1-CZ 3.84Å; Y598-F602 AromaticContact CE1-CE2 3.98Å; Y598-F602 HydrophobicContact CE1-CE2 3.98Å; Y598-F602 AromaticContact CE1-CZ 3.82Å; Y598-F602 HydrophobicContact CE1-CZ 3.82Å; Y598-F602 AromaticContact CG-CE2 3.99Å; Y598-F602 HydrophobicContact CG-CE2 3.99Å
599	A	74.6	Confident	87	Confident	96 Å²	96	40.5 Å²	40.5	79%	0.793	24%	0.237	S	C	*	.	S	Bend	trans	-75.1	-15.3	-176.2	0	0	0	0	0	114.5
600	H	75.2	Confident	86.6	Confident	131 Å²	131	44.6 Å²	44.6	61%	0.606	26%	0.264	S	S	*	.	S	Bend	trans	-134.6	140.5	-179	-60.1	-29.8	0	0	0	109.8	Y598	Y598-H600 VanDerWaalsContact C-N 3.3Å; Y598-H600 PolarHBondContact O-N 3.06Å
601	P	84.6	Confident	86	Confident	36 Å²	36	49.6 Å²	49.6	23%	0.234	29%	0.285	C	S	.	.			trans	-75.1	153.5	179	31.3	-35.1	0	0	0	112.4	P592 V593	P592-P601 HydrophobicContact CB-CB 3.6Å; P592-P601 HydrophobicContact CB-CG 3.79Å; V593-P601 CarbonylContact O-C 3.54Å; V593-P601 WeakPolarHBondContact O-CA 3.48Å; V593-P601 WeakPolarHBondContact O-CB 3.34Å
602	F	86.5	Confident	85.9	Confident	33 Å²	33	51 Å²	51	15%	0.145	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	106.2	172.7	-68.6	-101.2	0	0	0	109	P534 T568 V593 L595 Y598 L604	P534-F602 HydrophobicContact CB-CD1 4.28Å; P534-F602 HydrophobicContact CB-CD2 4.09Å; P534-F602 HydrophobicContact CB-CE1 4.27Å; P534-F602 HydrophobicContact CB-CE2 4.06Å; P534-F602 HydrophobicContact CB-CG 4.19Å; P534-F602 HydrophobicContact CB-CZ 4.15Å; P534-F602 HydrophobicContact CG-CB 3.93Å; P534-F602 HydrophobicContact CG-CD1 4.18Å; P534-F602 HydrophobicContact CG-CD2 3.66Å; P534-F602 HydrophobicContact CG-CE2 4.15Å; P534-F602 HydrophobicContact CG-CG 3.67Å; T568-F602 HydrophobicContact CG2-CD1 3.86Å; T568-F602 HydrophobicContact CG2-CE1 3.87Å; V593-F602 HydrophobicContact CB-CB 4.39Å; V593-F602 WeakPolarHBondContact CB-O 3.4Å; V593-F602 PolarHBondContact N-O 2.9Å; V593-F602 PolarHBondContact O-N 2.77Å; L595-F602 HydrophobicContact CD1-CE2 4.26Å; Y598-F602 AromaticContact CD1-CE2 3.62Å; Y598-F602 HydrophobicContact CD1-CE2 3.62Å; Y598-F602 AromaticContact CD1-CZ 3.84Å; Y598-F602 HydrophobicContact CD1-CZ 3.84Å; Y598-F602 AromaticContact CE1-CE2 3.98Å; Y598-F602 HydrophobicContact CE1-CE2 3.98Å; Y598-F602 AromaticContact CE1-CZ 3.82Å; Y598-F602 HydrophobicContact CE1-CZ 3.82Å; Y598-F602 AromaticContact CG-CE2 3.99Å; Y598-F602 HydrophobicContact CG-CE2 3.99Å; F602-L604 PolarHBondContact O-N 3.2Å; F602-L604 VanDerWaalsContact O-N 3.15Å
603	H	87.4	Confident	85.7	Confident	22 Å²	22	50 Å²	50	10%	0.102	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	106.1	174.9	-73.6	-85.7	0	0	0	110.2	T383 N532 H590 R591 K605	T383-H603 WeakPolarHBondContact CG2-CE1 3.3Å; N532-H603 PolarHBondContact ND2-O 2.78Å; H590-H603 PolarHBondContact O-ND1 3.31Å; R591-H603 WeakPolarHBondContact O-CA 3.41Å; H603-K605 PolarHBondContact O-N 3.46Å
604	L	91.4	Very high	84.8	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.021	31%	0.311	C	S	.	.			trans	-62	132.9	178.2	-171.8	66.8	0	0	0	109.5	F530 A533 V545 A588 H590 R591 V593 F602 I606	F530-L604 HydrophobicContact CB-CD1 4.27Å; F530-L604 HydrophobicContact CD2-CD1 4.27Å; A533-L604 HydrophobicContact CB-CD1 3.97Å; V545-L604 HydrophobicContact CG1-CD2 3.86Å; A588-L604 HydrophobicContact CB-CD2 4.44Å; H590-L604 WeakPolarHBondContact CA-O 3.42Å; H590-L604 PolarHBondContact N-O 3.41Å; R591-L604 PolarHBondContact O-N 3.29Å; V593-L604 HydrophobicContact CG2-CB 4.43Å; F602-L604 PolarHBondContact O-N 3.2Å; F602-L604 VanDerWaalsContact O-N 3.15Å; L604-I606 HydrophobicContact CD2-CD1 4.21Å; L604-I606 HydrophobicContact CD2-CG1 4.44Å; L604-I606 HydrophobicContact CG-CG1 4.31Å
605	K	93.4	Very high	83.4	Confident	51 Å²	51	56.7 Å²	56.7	22%	0.222	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	137	176.7	-61.4	-155.2	172.3	-154.2	0	110.5	N507 F530 F531 N532 H603	N507-K605 VanDerWaalsContact OD1-CE 3.26Å; N507-K605 WeakPolarHBondContact OD1-CE 3.49Å; N507-K605 PolarHBondContact OD1-NZ 2.62Å; F530-K605 CarbonylContact C-O 3.6Å; F530-K605 WeakPolarHBondContact CA-O 3.39Å; F531-K605 HydrophobicContact CD1-CB 4.04Å; F531-K605 WeakPolarHBondContact CD1-O 3.47Å; F531-K605 HydrophobicContact CD2-CB 3.94Å; F531-K605 HydrophobicContact CE1-CB 3.66Å; F531-K605 HydrophobicContact CE2-CB 3.56Å; F531-K605 HydrophobicContact CE2-CD 4.08Å; F531-K605 HydrophobicContact CE2-CG 4.3Å; F531-K605 HydrophobicContact CG-CB 4.17Å; F531-K605 HydrophobicContact CZ-CB 3.42Å; F531-K605 VanDerWaalsContact CZ-CB 3.42Å; F531-K605 HydrophobicContact CZ-CD 4.29Å; F531-K605 HydrophobicContact CZ-CG 4.43Å; F531-K605 PolarHBondContact N-O 2.87Å; F531-K605 PolarHBondContact O-N 3.38Å; N532-K605 HydrophobicContact CB-CG 4.49Å; H603-K605 PolarHBondContact O-N 3.46Å
606	I	95.5	Very high	81.7	Confident	1 Å²	1	63 Å²	63	1%	0.005	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	146.1	-170.9	-50.5	-178.4	0	0	0	109.8	L429 L528 F546 L585 A588 N589 L604	L429-I606 WeakPolarHBondContact CD2-O 3.24Å; L528-I606 HydrophobicContact CB-CG2 3.67Å; L528-I606 HydrophobicContact CD1-CG2 3.72Å; L528-I606 HydrophobicContact CG-CG2 4.2Å; F546-I606 HydrophobicContact CE1-CD1 3.92Å; F546-I606 HydrophobicContact CZ-CD1 4.05Å; L585-I606 HydrophobicContact CD1-CB 3.87Å; L585-I606 HydrophobicContact CD1-CG2 3.7Å; A588-I606 HydrophobicContact CB-CD1 3.93Å; N589-I606 HydrophobicContact CB-CB 4.26Å; N589-I606 HydrophobicContact CB-CD1 4.18Å; N589-I606 HydrophobicContact CB-CG1 4.27Å; N589-I606 PolarHBondContact OD1-N 2.89Å; L604-I606 HydrophobicContact CD2-CD1 4.21Å; L604-I606 HydrophobicContact CD2-CG1 4.44Å; L604-I606 HydrophobicContact CG-CG1 4.31Å
607	A	95	Very high	80	Confident	14 Å²	14	68.6 Å²	68.6	12%	0.116	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	162.1	169.2	0	0	0	0	0	109.9	L528 H529	L528-A607 CarbonylContact C-O 3.51Å; L528-A607 WeakPolarHBondContact CA-O 3.47Å; H529-A607 PolarHBondContact N-O 3.15Å; H529-A607 PolarHBondContact O-N 3.39Å
608	F	95.6	Very high	78.3	Confident	13 Å²	13	69.4 Å²	69.4	6%	0.057	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	150.6	173	-62	-61.2	0	0	0	112.4	L429 Y430 L522 P524 L528 L582 L585	L429-F608 HydrophobicContact CD1-CD2 3.73Å; L429-F608 HydrophobicContact CD1-CE2 3.33Å; L429-F608 HydrophobicContact CD1-CZ 3.86Å; Y430-F608 HydrophobicContact CE2-CE2 4.19Å; Y430-F608 WeakPolarHBondContact OH-CE2 3.43Å; L522-F608 HydrophobicContact CB-CB 4.15Å; L522-F608 WeakPolarHBondContact CD1-O 2.97Å; P524-F608 HydrophobicContact CB-CE1 4.36Å; P524-F608 HydrophobicContact CB-CZ 4.15Å; L528-F608 HydrophobicContact CD2-CD1 3.51Å; L528-F608 HydrophobicContact CD2-CE1 3.75Å; L582-F608 HydrophobicContact CD2-CE1 3.72Å; L582-F608 HydrophobicContact CD2-CZ 3.52Å; L585-F608 HydrophobicContact CD2-CE1 3.99Å; L585-F608 HydrophobicContact CD2-CE2 4.32Å; L585-F608 HydrophobicContact CD2-CZ 3.56Å
609	S	93	Very high	76.7	Confident	13 Å²	13	64.2 Å²	64.2	9%	0.091	37%	0.368	C	S	.	.			trans	-111.6	134.1	168.9	175.1	0	0	0	0	109.8	S525 T527 K611	S525-S609 VanDerWaalsContact CB-O 3.25Å; S525-S609 WeakPolarHBondContact CB-O 3.22Å; S525-S609 PolarHBondContact OG-O 3.39Å; T527-S609 WeakPolarHBondContact O-CB 3.49Å; T527-S609 PolarHBondContact O-N 2.83Å; S609-K611 VanDerWaalsContact C-N 3.27Å; S609-K611 PolarHBondContact O-N 2.95Å; S609-K611 PolarHBondContact OG-N 3.38Å; S609-K611 PolarHBondContact OG-O 2.94Å
610	P	86.2	Confident	75.5	Confident	90 Å²	90	64.4 Å²	64.4	58%	0.584	35%	0.354	S	S	*	.	S	Bend	trans	-83.1	-0.9	-178.8	35.7	-35.3	0	0	0	113.4	L522	L522-P610 HydrophobicContact CD1-CB 4.29Å; L522-P610 HydrophobicContact CD1-CG 4.19Å; L522-P610 HydrophobicContact CD2-CB 4.15Å
611	K	79.8	Confident	74	Confident	116 Å²	116	61 Å²	61	50%	0.504	35%	0.345	S	S	.	.	S	Bend	trans	-130.5	136.6	177.3	-61.5	-165.9	178.1	-168	0	109.6	E91 S609	E91-K611 IonicContact OE1-NZ 3.51Å; E91-K611 PolarHBondContact OE1-NZ 3.47Å; E91-K611 IonicContact OE2-NZ 2.95Å; S609-K611 VanDerWaalsContact C-N 3.27Å; S609-K611 PolarHBondContact O-N 2.95Å; S609-K611 PolarHBondContact OG-N 3.38Å; S609-K611 PolarHBondContact OG-O 2.94Å
612	P	81.7	Confident	72.1	Confident	84 Å²	84	62.8 Å²	62.8	55%	0.545	35%	0.352	S	S	.	.			trans	-66.8	167.4	175	30.2	-36	0	0	0	111.8	T527 E574 S614	T527-P612 WeakPolarHBondContact OG1-CA 3.15Å; E574-P612 WeakPolarHBondContact OE1-CB 3.19Å; P612-S614 PolarHBondContact O-N 3.48Å
613	I	83.2	Confident	69.8	Low	14 Å²	14	64.6 Å²	64.6	7%	0.072	36%	0.362	C	S	.	.			trans	-73.1	110.8	171	-68.6	173.7	0	0	0	107.9	T527 R556 V558 L572 E574	T527-I613 HydrophobicContact CG2-CG1 4.27Å; R556-I613 HydrophobicContact CB-CD1 3.85Å; R556-I613 PolarHBondContact NH1-O 2.94Å; V558-I613 HydrophobicContact CG2-CB 4.43Å; V558-I613 HydrophobicContact CG2-CD1 4.07Å; V558-I613 HydrophobicContact CG2-CG1 4.12Å; V558-I613 HydrophobicContact CG2-CG2 3.52Å; L572-I613 HydrophobicContact CB-CD1 3.84Å; L572-I613 HydrophobicContact CB-CG1 3.83Å; L572-I613 HydrophobicContact CD1-CG1 4.18Å; E574-I613 HydrophobicContact CB-CD1 3.81Å; E574-I613 HydrophobicContact CB-CG1 4.14Å; E574-I613 PolarHBondContact OE2-N 3.05Å
614	S	67.8	Low	67.4	Low	55 Å²	55	74.9 Å²	74.9	39%	0.385	40%	0.4	S	S	.	.			trans	-75	132.8	-179.8	61.7	0	0	0	0	111.5	P612 D616 R617	P612-S614 PolarHBondContact O-N 3.48Å; S614-D616 WeakPolarHBondContact CB-OD1 3.37Å; S614-D616 PolarHBondContact O-N 2.89Å; S614-D616 PolarHBondContact OG-OD1 3.36Å; S614-R617 PolarHBondContact O-N 2.91Å; S614-R617 VanDerWaalsContact O-N 3.1Å
615	D	58.2	Low	64.5	Low	140 Å²	140	83.8 Å²	83.8	75%	0.749	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-10.6	-175.3	-50.9	-46.5	0	0	0	113.4	R556	R556-D615 IonicContact CZ-OD1 3.75Å; R556-D615 IonicContact NH1-OD1 2.73Å; R556-D615 PolarHBondContact NH1-OD1 2.66Å; R556-D615 IonicContact NH2-OD1 3.39Å
616	D	50.2	Low	61.8	Low	140 Å²	140	87.1 Å²	87.1	75%	0.749	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-15.7	176.5	75.5	-31.7	0	0	0	113.9	S614	S614-D616 WeakPolarHBondContact CB-OD1 3.37Å; S614-D616 PolarHBondContact O-N 2.89Å; S614-D616 PolarHBondContact OG-OD1 3.36Å
617	R	46	Very low	58.8	Low	168 Å²	168	89.1 Å²	89.1	63%	0.634	48%	0.478	S	S	*	.	S	Bend	trans	-97	139.1	174.7	-98.8	-179.4	164.3	-172.3	-5	110.1	S614 G619	S614-R617 PolarHBondContact O-N 2.91Å; S614-R617 VanDerWaalsContact O-N 3.1Å; R617-G619 PolarHBondContact O-N 2.83Å
618	A	40.1	Very low	56	Low	105 Å²	105	92.5 Å²	92.5	87%	0.868	50%	0.5	S	S	*	.			trans	-71.3	54.9	-177.2	0	0	0	0	0	114.4
619	G	44.9	Very low	53.1	Low	23 Å²	23	97.1 Å²	97.1	24%	0.237	53%	0.531	C	S	.	.			trans	-73.2	140.7	152.7	0	0	0	0	0	109.3	V557 R617 S621	V557-G619 WeakPolarHBondContact O-CA 3.33Å; R617-G619 PolarHBondContact O-N 2.83Å; G619-S621 PolarHBondContact O-N 3.2Å
620	I	48.7	Very low	50.2	Low	100 Å²	100	103.5 Å²	103.5	51%	0.513	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.7	103.6	174	-61.4	178.8	0	0	0	106.3	P539 V557 L622	P539-I620 HydrophobicContact CG-CD1 4.4Å; V557-I620 PolarHBondContact O-N 2.73Å; I620-L622 HydrophobicContact CG2-CD2 3.8Å; I620-L622 HydrophobicContact CG2-CG 4.31Å; I620-L622 PolarHBondContact O-N 3.32Å; I620-L622 VanDerWaalsContact O-N 3.13Å
621	S	43.8	Very low	47.8	Very low	58 Å²	58	107.1 Å²	107.1	41%	0.406	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-70.7	102.7	165.8	-164.1	0	0	0	0	107.4	P555 G619 I623	P555-S621 WeakPolarHBondContact O-CA 3.37Å; G619-S621 PolarHBondContact O-N 3.2Å; S621-I623 PolarHBondContact O-N 2.89Å; S621-I623 PolarHBondContact OG-O 3.33Å
622	L	44.9	Very low	45.7	Very low	74 Å²	74	106.8 Å²	106.8	39%	0.387	58%	0.584	S	S	.	*	S	Bend	trans	-70.4	-19.8	-178.9	-67.7	169	0	0	0	111.3	C543 P555 I620	C543-L622 VanDerWaalsContact SG-CD1 3.55Å; P555-L622 PolarHBondContact O-N 3.19Å; I620-L622 HydrophobicContact CG2-CD2 3.8Å; I620-L622 HydrophobicContact CG2-CG 4.31Å; I620-L622 PolarHBondContact O-N 3.32Å; I620-L622 VanDerWaalsContact O-N 3.13Å
623	I	39.7	Very low	43.4	Very low	71 Å²	71	105.8 Å²	105.8	36%	0.364	59%	0.588	S	S	.	*			trans	-113.3	138.9	176.6	-61.3	-171.4	0	0	0	109.5	P555 S621 Y625	P555-I623 HydrophobicContact CB-CB 3.94Å; P555-I623 HydrophobicContact CB-CD1 4.06Å; P555-I623 HydrophobicContact CB-CG1 4.18Å; S621-I623 PolarHBondContact O-N 2.89Å; S621-I623 PolarHBondContact OG-O 3.33Å; I623-Y625 HydrophobicContact CG2-CD2 3.4Å; I623-Y625 HydrophobicContact CG2-CE2 3.96Å; I623-Y625 HydrophobicContact CG2-CG 4.3Å
624	R	36.9	Very low	40.9	Very low	239 Å²	239	114.3 Å²	114.3	90%	0.902	63%	0.628	S	S	*	*			trans	-115.8	54.4	-178.5	-69.2	-166.3	-178.7	-150.9	3.9	112.7
625	Y	30.5	Very low	39.3	Very low	190 Å²	190	120.3 Å²	120.3	75%	0.745	65%	0.649	S	S	*	*			trans	-108.6	143.1	167.1	-62.7	-60.4	0	0	0	110	I623 A627	I623-Y625 HydrophobicContact CG2-CD2 3.4Å; I623-Y625 HydrophobicContact CG2-CE2 3.96Å; I623-Y625 HydrophobicContact CG2-CG 4.3Å; Y625-A627 PolarHBondContact O-N 3.26Å
626	P	35.4	Very low	38	Very low	121 Å²	121	117.1 Å²	117.1	79%	0.786	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-65.6	130	171.7	28.5	-32.9	0	0	0	108.8
627	A	33.7	Very low	37	Very low	43 Å²	43	116 Å²	116	36%	0.355	65%	0.653	S	S	.	*	P	Polyproline II helix	trans	-60.1	140.7	179.9	0	0	0	0	0	110.6	Y625	Y625-A627 PolarHBondContact O-N 3.26Å
628	P	35.3	Very low	36.5	Very low	86 Å²	86	113.4 Å²	113.4	56%	0.558	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-55.6	141.7	173.6	-25.1	34.4	0	0	0	111.4	L630	P628-L630 PolarHBondContact O-N 2.93Å
629	P	34.3	Very low	36	Very low	109 Å²	109	113.4 Å²	113.4	71%	0.708	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-63.1	131.6	178.2	26.5	-33.9	0	0	0	110.3	M631	P629-M631 PolarHBondContact O-N 3.1Å; P629-M631 VanDerWaalsContact O-N 3.08Å
630	L	33.2	Very low	35.8	Very low	148 Å²	148	119.7 Å²	119.7	78%	0.775	69%	0.687	S	S	*	*			trans	-57.9	114.4	174.8	-71.2	168.8	0	0	0	109.6	P628 P632	P628-L630 PolarHBondContact O-N 2.93Å; L630-P632 WeakPolarHBondContact O-CD 3.36Å
631	M	34.7	Very low	35	Very low	166 Å²	166	122.9 Å²	122.9	82%	0.818	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-61.5	122.5	173.1	-75.8	-85.5	98	0	0	109.4	P629 G633	P629-M631 PolarHBondContact O-N 3.1Å; P629-M631 VanDerWaalsContact O-N 3.08Å; M631-G633 PolarHBondContact O-N 3.46Å
632	P	35.9	Very low	34.4	Very low	109 Å²	109	123.6 Å²	123.6	71%	0.708	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-69.8	118.1	177.1	27.6	-32.8	0	0	0	110	L630 H634	L630-P632 WeakPolarHBondContact O-CD 3.36Å; P632-H634 PolarHBondContact O-N 3.17Å
633	G	33.7	Very low	34	Very low	62 Å²	62	129.7 Å²	129.7	64%	0.639	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-56	135.1	176.6	0	0	0	0	0	111.8	M631 H635	M631-G633 PolarHBondContact O-N 3.46Å; G633-H635 PolarHBondContact O-N 3.24Å
634	H	31.8	Very low	33.6	Very low	194 Å²	194	137.6 Å²	137.6	90%	0.898	77%	0.773	S	S	*	*			trans	-70.9	85.5	-176.4	-87.8	24.7	0	0	0	112.7	P632 G636	P632-H634 PolarHBondContact O-N 3.17Å; H634-G636 PolarHBondContact O-N 2.9Å; H634-G636 VanDerWaalsContact O-N 3.15Å
635	H	33.7	Very low	33.6	Very low	180 Å²	180	133.9 Å²	133.9	83%	0.833	77%	0.771	S	S	*	*			trans	-76.5	90.5	157.3	-75.3	-71.2	0	0	0	109.6	G633 S637	G633-H635 PolarHBondContact O-N 3.24Å; H635-S637 VanDerWaalsContact C-N 3.34Å; H635-S637 PolarHBondContact O-N 3.36Å
636	G	31.5	Very low	33.8	Very low	73 Å²	73	132.7 Å²	132.7	75%	0.753	77%	0.772	S	S	*	*			trans	-71.4	75.8	-178.6	0	0	0	0	0	114.3	H634 S638	H634-G636 PolarHBondContact O-N 2.9Å; H634-G636 VanDerWaalsContact O-N 3.15Å; G636-S638 PolarHBondContact O-N 3.08Å
637	S	29.5	Very low	34	Very low	118 Å²	118	135.5 Å²	135.5	83%	0.825	77%	0.772	S	S	*	*			trans	-80.6	87	169.7	-70.2	0	0	0	0	111.8	H635	H635-S637 VanDerWaalsContact C-N 3.34Å; H635-S637 PolarHBondContact O-N 3.36Å
638	S	34.8	Very low	34.2	Very low	113 Å²	113	139.5 Å²	139.5	79%	0.79	80%	0.795	S	S	*	*			trans	-102.9	90	172.6	-71.6	0	0	0	0	111.9	G636	G636-S638 PolarHBondContact O-N 3.08Å
639	A	29.8	Very low	34	Very low	104 Å²	104	139.1 Å²	139.1	86%	0.86	81%	0.806	S	S	*	*			trans	-89.6	104.8	166.9	0	0	0	0	0	109.9
640	I	39.2	Very low	33.9	Very low	156 Å²	156	138.2 Å²	138.2	80%	0.8	82%	0.817	S	S	*	*			trans	-129.4	132.1	172	-65.3	-176.5	0	0	0	109.2
641	N	33.5	Very low	33.7	Very low	166 Å²	166	135.1 Å²	135.1	89%	0.888	82%	0.821	S	S	*	*			trans	-68	138.5	178.1	-102.1	-32.9	0	0	0	111.2
642	G	31.2	Very low	33.7	Very low	73 Å²	73	130.8 Å²	130.8	75%	0.753	81%	0.806	S	S	*	*			trans	-82.9	173.8	-167	0	0	0	0	0	115.9
643	Q	36.5	Very low	33.6	Very low	203 Å²	203	132.9 Å²	132.9	95%	0.949	81%	0.812	S	S	*	*			trans	-147.5	159.8	144	-108.7	177.3	11.5	0	0	109.8
644	R	31	Very low	33.7	Very low	237 Å²	237	132 Å²	132	89%	0.894	80%	0.803	S	S	*	*			trans	-70	142.2	-176.5	-77.4	172.1	161.1	162.2	-8.5	112.2
645	N	36.1	Very low	34.1	Very low	160 Å²	160	129.9 Å²	129.9	86%	0.856	79%	0.793	S	S	*	*				-159.7	160.1	111.1	-109.2	-13.6	0	0	0	113.3
646	E	34.6	Very low	34.6	Very low	165 Å²	165	129.6 Å²	129.6	77%	0.771	79%	0.79	S	S	*	*			trans	-85.9	170.9	174.7	-39.6	179.9	120.7	0	0	110
647	K	40.8	Very low	35.3	Very low	181 Å²	181	133.1 Å²	133.1	79%	0.787	79%	0.786	S	S	*	*			cis	-145.8	174.3	19.2	-102.4	-167.3	-177.3	171.9	0	111.4
648	P	36.9	Very low	36.4	Very low	127 Å²	127	132.5 Å²	132.5	83%	0.825	77%	0.774	S	S	*	*			trans	-103.2	170.4	-165.4	40.1	-37.2	0	0	0	116.3
649	G	32	Very low	37.5	Very low	78 Å²	78	131 Å²	131	80%	0.804	76%	0.755	S	S	*	*			trans	172.5	116.5	159.8	0	0	0	0	0	116.4
650	G	31.6	Very low	38.8	Very low	90 Å²	90	129 Å²	129	93%	0.928	73%	0.729	S	S	*	*			trans	74.3	154.3	166.3	0	0	0	0	0	117.5
651	G	29.6	Very low	39.7	Very low	83 Å²	83	123.7 Å²	123.7	86%	0.856	70%	0.702	S	S	*	*			cis	155.8	83	-11.3	0	0	0	0	0	116
652	S	33.5	Very low	40.9	Very low	74 Å²	74	119.5 Å²	119.5	52%	0.517	68%	0.679	S	S	.	*			trans	-159.6	133.4	148.1	179.2	0	0	0	0	110	E655	S652-E655 PolarHBondContact OG-OE2 3.49Å
653	N	34.7	Very low	42.2	Very low	153 Å²	153	116.5 Å²	116.5	82%	0.818	65%	0.645	S	S	*	*			trans	-155.1	-10	169.2	-102.5	-11.1	0	0	0	113
654	G	36.2	Very low	43.2	Very low	44 Å²	44	107.6 Å²	107.6	45%	0.454	61%	0.606	S	S	.	*	S	Bend	trans	-80.7	-29.5	-177	0	0	0	0	0	115	K656 E657	G654-K656 PolarHBondContact O-N 3.2Å; G654-E657 PolarHBondContact O-N 3.12Å; G654-E657 VanDerWaalsContact O-N 3.14Å
655	E	40.2	Very low	44.7	Very low	149 Å²	149	102 Å²	102	70%	0.696	59%	0.588	S	S	*	*	H	α-helix	trans	-63.2	-16.8	-169.2	-62.3	170.3	118	0	0	114.2	S652	S652-E655 PolarHBondContact OG-OE2 3.49Å
656	K	44.4	Very low	45.7	Very low	175 Å²	175	97.3 Å²	97.3	76%	0.761	56%	0.562	S	S	*	*	H	α-helix	trans	-91.5	-24.7	180	-68.5	-176.8	178.1	178	0	114.4	G654	G654-K656 PolarHBondContact O-N 3.2Å
657	E	44.2	Very low	46.8	Very low	146 Å²	146	90.6 Å²	90.6	68%	0.682	53%	0.53	S	S	*	.	H	α-helix	trans	-76.6	-36	178.3	-63.2	-169.2	150.3	0	0	110.9	G654 D661	G654-E657 PolarHBondContact O-N 3.12Å; G654-E657 VanDerWaalsContact O-N 3.14Å; E657-D661 PolarHBondContact O-N 2.86Å
658	D	54	Low	47.5	Very low	106 Å²	106	88.9 Å²	88.9	57%	0.567	52%	0.523	S	S	*	.	H	α-helix	trans	-62	-41.5	175.7	-82.7	-37.2	0	0	0	112.7	L660 D661 I662	D658-L660 PolarHBondContact O-N 3.26Å; D658-D661 PolarHBondContact O-N 3.5Å; D658-I662 WeakPolarHBondContact O-CB 3.43Å; D658-I662 WeakPolarHBondContact O-CD1 3.49Å; D658-I662 VanDerWaalsContact O-CG1 3.23Å; D658-I662 WeakPolarHBondContact O-CG1 3.18Å; D658-I662 PolarHBondContact O-N 3.41Å
659	E	56.8	Low	48.2	Very low	82 Å²	82	86 Å²	86	38%	0.383	51%	0.509	S	S	.	.	H	α-helix	trans	-65.5	-39.8	-177.3	-178.2	156.8	-134.9	0	0	112.6	R442 D661 I662 L663	R442-E659 IonicContact CZ-OE1 3.69Å; R442-E659 IonicContact NH1-OE1 2.7Å; R442-E659 IonicContact NH2-OE1 3.14Å; R442-E659 PolarHBondContact NH2-OE1 2.77Å; E659-D661 VanDerWaalsContact C-N 3.3Å; E659-D661 PolarHBondContact O-N 3.49Å; E659-I662 PolarHBondContact O-N 3.06Å; E659-L663 HydrophobicContact CG-CD1 3.91Å; E659-L663 HydrophobicContact CG-CG 4.43Å; E659-L663 WeakPolarHBondContact O-CB 3.35Å; E659-L663 WeakPolarHBondContact O-CD1 3.32Å; E659-L663 VanDerWaalsContact O-CG 3.25Å; E659-L663 WeakPolarHBondContact O-CG 3.39Å; E659-L663 PolarHBondContact O-N 3.18Å
660	L	57.7	Low	49.3	Very low	60 Å²	60	84.1 Å²	84.1	31%	0.314	48%	0.48	S	S	.	.	H	α-helix	trans	-63.8	-37.2	174.5	-68.5	172.8	0	0	0	111.8	H476 D658 L663 S664	H476-L660 HydrophobicContact CB-CD2 4.41Å; D658-L660 PolarHBondContact O-N 3.26Å; L660-L663 PolarHBondContact O-N 2.93Å; L660-S664 PolarHBondContact O-N 3.5Å
661	D	58	Low	49.9	Very low	46 Å²	46	81.4 Å²	81.4	25%	0.246	45%	0.452	C	S	.	.	H	α-helix	trans	-74	-37.2	178.9	-146.2	78.6	0	0	0	112.2	K479 E657 D658 E659 L663 S664 K665	K479-D661 IonicContact NZ-OD1 3.85Å; K479-D661 PolarHBondContact NZ-OD1 3.13Å; E657-D661 PolarHBondContact O-N 2.86Å; D658-D661 PolarHBondContact O-N 3.5Å; E659-D661 VanDerWaalsContact C-N 3.3Å; E659-D661 PolarHBondContact O-N 3.49Å; D661-L663 VanDerWaalsContact C-N 3.35Å; D661-S664 PolarHBondContact O-N 3.01Å; D661-K665 WeakPolarHBondContact O-CD 3.41Å; D661-K665 VanDerWaalsContact O-CG 3.3Å; D661-K665 WeakPolarHBondContact O-CG 3.21Å; D661-K665 PolarHBondContact O-N 3.36Å; D661-K665 WeakPolarHBondContact OD2-CE 3.33Å; D661-K665 IonicContact OD2-NZ 3.7Å; D661-K665 PolarHBondContact OD2-NZ 2.62Å
662	I	59.3	Low	50.2	Low	77 Å²	77	81.9 Å²	81.9	40%	0.395	44%	0.441	S	S	.	.	H	α-helix	trans	-59.5	-45	169.5	-71.9	163.1	0	0	0	110.5	D658 E659 K665 M666	D658-I662 WeakPolarHBondContact O-CB 3.43Å; D658-I662 WeakPolarHBondContact O-CD1 3.49Å; D658-I662 VanDerWaalsContact O-CG1 3.23Å; D658-I662 WeakPolarHBondContact O-CG1 3.18Å; D658-I662 PolarHBondContact O-N 3.41Å; E659-I662 PolarHBondContact O-N 3.06Å; I662-K665 CarbonylContact O-C 3.53Å; I662-K665 WeakPolarHBondContact O-CB 3.45Å; I662-K665 PolarHBondContact O-N 3.37Å; I662-K665 VanDerWaalsContact O-N 3.15Å; I662-M666 HydrophobicContact CG2-CE 3.85Å; I662-M666 HydrophobicContact CG2-SD 4.21Å; I662-M666 WeakPolarHBondContact O-CG 3.22Å; I662-M666 PolarHBondContact O-N 2.87Å
663	L	58.9	Low	50.2	Low	10 Å²	10	82.5 Å²	82.5	5%	0.052	45%	0.451	C	S	.	.	H	α-helix	trans	-66.1	-38.9	178.6	-73.6	164.7	0	0	0	112.2	M410 R442 E659 L660 D661 K665 M666 E667	M410-L663 HydrophobicContact CE-CB 3.99Å; M410-L663 HydrophobicContact CE-CD1 4.18Å; M410-L663 HydrophobicContact CE-CD2 4.04Å; M410-L663 HydrophobicContact CE-CG 4.3Å; M410-L663 HydrophobicContact CG-CD1 4.23Å; R442-L663 VanDerWaalsContact NH1-CD2 3.34Å; E659-L663 HydrophobicContact CG-CD1 3.91Å; E659-L663 HydrophobicContact CG-CG 4.43Å; E659-L663 WeakPolarHBondContact O-CB 3.35Å; E659-L663 WeakPolarHBondContact O-CD1 3.32Å; E659-L663 VanDerWaalsContact O-CG 3.25Å; E659-L663 WeakPolarHBondContact O-CG 3.39Å; E659-L663 PolarHBondContact O-N 3.18Å; L660-L663 PolarHBondContact O-N 2.93Å; D661-L663 VanDerWaalsContact C-N 3.35Å; L663-K665 VanDerWaalsContact C-N 3.29Å; L663-K665 PolarHBondContact O-N 2.85Å; L663-M666 HydrophobicContact CD2-SD 4.1Å; L663-M666 PolarHBondContact O-N 3Å; L663-M666 VanDerWaalsContact O-N 3.16Å; L663-E667 PolarHBondContact O-N 3.34Å
664	S	57.7	Low	50	Low	17 Å²	17	84 Å²	84	12%	0.119	45%	0.45	C	S	.	.	H	α-helix	trans	-64.4	-31.7	171.4	-170.9	0	0	0	0	112.9	L660 D661	L660-S664 PolarHBondContact O-N 3.5Å; D661-S664 PolarHBondContact O-N 3.01Å
665	K	60.7	Low	49.9	Very low	119 Å²	119	87.7 Å²	87.7	52%	0.517	47%	0.466	S	S	.	.	H	α-helix	trans	-73.1	-31.1	171.7	-72	157.6	176.7	150.8	0	112.4	D661 I662 L663 K668 A669	D661-K665 WeakPolarHBondContact O-CD 3.41Å; D661-K665 VanDerWaalsContact O-CG 3.3Å; D661-K665 WeakPolarHBondContact O-CG 3.21Å; D661-K665 PolarHBondContact O-N 3.36Å; D661-K665 WeakPolarHBondContact OD2-CE 3.33Å; D661-K665 IonicContact OD2-NZ 3.7Å; D661-K665 PolarHBondContact OD2-NZ 2.62Å; I662-K665 CarbonylContact O-C 3.53Å; I662-K665 WeakPolarHBondContact O-CB 3.45Å; I662-K665 PolarHBondContact O-N 3.37Å; I662-K665 VanDerWaalsContact O-N 3.15Å; L663-K665 VanDerWaalsContact C-N 3.29Å; L663-K665 PolarHBondContact O-N 2.85Å; K665-K668 PolarHBondContact O-N 3.46Å; K665-A669 PolarHBondContact O-N 2.93Å
666	M	58.4	Low	49.5	Very low	62 Å²	62	88.3 Å²	88.3	31%	0.305	47%	0.469	S	S	.	.	H	α-helix	trans	-68.1	-36	179	-77.1	175.7	168.6	0	0	113.5	I662 L663 K668 A669 E670	I662-M666 HydrophobicContact CG2-CE 3.85Å; I662-M666 HydrophobicContact CG2-SD 4.21Å; I662-M666 WeakPolarHBondContact O-CG 3.22Å; I662-M666 PolarHBondContact O-N 2.87Å; L663-M666 HydrophobicContact CD2-SD 4.1Å; L663-M666 PolarHBondContact O-N 3Å; L663-M666 VanDerWaalsContact O-N 3.16Å; M666-K668 VanDerWaalsContact C-N 3.27Å; M666-K668 PolarHBondContact O-N 3.32Å; M666-A669 WeakPolarHBondContact O-CB 3.31Å; M666-A669 PolarHBondContact O-N 3.48Å; M666-A669 VanDerWaalsContact O-N 3.08Å; M666-E670 PolarHBondContact O-N 2.64Å; M666-E670 VanDerWaalsContact O-N 3.11Å
667	E	57.7	Low	49	Very low	23 Å²	23	85.4 Å²	85.4	11%	0.107	47%	0.471	C	S	.	.	H	α-helix	trans	-57.9	-42.8	173	-175.6	-175.2	-137.9	0	0	111.3	M447 L663 A669 E670 G671	M447-E667 HydrophobicContact CE-CB 4.08Å; M447-E667 HydrophobicContact CE-CG 3.89Å; L663-E667 PolarHBondContact O-N 3.34Å; E667-A669 PolarHBondContact O-N 2.87Å; E667-E670 PolarHBondContact O-N 2.93Å; E667-G671 PolarHBondContact O-N 3.3Å
668	K	55.3	Low	48.7	Very low	145 Å²	145	86 Å²	86	63%	0.63	47%	0.471	S	S	*	.	H	α-helix	trans	-65.5	-23.2	178.6	-61.3	172.9	-175.1	169.8	0	112.8	K665 M666 C672	K665-K668 PolarHBondContact O-N 3.46Å; M666-K668 VanDerWaalsContact C-N 3.27Å; M666-K668 PolarHBondContact O-N 3.32Å; K668-C672 WeakPolarHBondContact O-CB 3.49Å
669	A	51.6	Low	47.6	Very low	66 Å²	66	84.2 Å²	84.2	55%	0.545	48%	0.477	S	S	.	.	H	α-helix	trans	-78.7	-48.4	173.5	0	0	0	0	0	111.8	K665 M666 E667 G671 C672	K665-A669 PolarHBondContact O-N 2.93Å; M666-A669 WeakPolarHBondContact O-CB 3.31Å; M666-A669 PolarHBondContact O-N 3.48Å; M666-A669 VanDerWaalsContact O-N 3.08Å; E667-A669 PolarHBondContact O-N 2.87Å; A669-G671 VanDerWaalsContact C-N 3.26Å; A669-G671 PolarHBondContact O-N 2.85Å; A669-C672 PolarHBondContact O-N 2.94Å
670	E	54.1	Low	46.7	Very low	39 Å²	39	87.4 Å²	87.4	18%	0.182	50%	0.497	C	S	.	.	H	α-helix	trans	-60.7	-36.2	175.7	-72.4	-171.4	163.1	0	0	111.9	K437 T441 M666 E667 C672	K437-E670 WeakPolarHBondContact CE-OE2 3.37Å; K437-E670 IonicContact NZ-OE2 2.72Å; K437-E670 PolarHBondContact NZ-OE2 3.22Å; T441-E670 WeakPolarHBondContact CB-OE1 3.45Å; T441-E670 HydrophobicContact CG2-CG 3.83Å; T441-E670 VanDerWaalsContact CG2-OE1 3.3Å; T441-E670 WeakPolarHBondContact CG2-OE1 3.45Å; T441-E670 PolarHBondContact N-OE1 2.95Å; T441-E670 PolarHBondContact OG1-OE1 3.45Å; M666-E670 PolarHBondContact O-N 2.64Å; M666-E670 VanDerWaalsContact O-N 3.11Å; E667-E670 PolarHBondContact O-N 2.93Å; E670-C672 PolarHBondContact O-N 3.06Å
671	G	44.8	Very low	45.6	Very low	33 Å²	33	89.9 Å²	89.9	34%	0.34	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-2.4	178.3	0	0	0	0	0	116.1	H486 E667 A669	H486-G671 VanDerWaalsContact CE1-CA 3.48Å; H486-G671 WeakPolarHBondContact CE1-CA 3.33Å; E667-G671 PolarHBondContact O-N 3.3Å; A669-G671 VanDerWaalsContact C-N 3.26Å; A669-G671 PolarHBondContact O-N 2.85Å
672	C	35.6	Very low	44.9	Very low	93 Å²	93	94 Å²	94	63%	0.628	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.6	12.7	-173.2	-153.3	0	0	0	0	114	K668 A669 E670 K674	K668-C672 WeakPolarHBondContact O-CB 3.49Å; A669-C672 PolarHBondContact O-N 2.94Å; E670-C672 PolarHBondContact O-N 3.06Å; C672-K674 PolarHBondContact O-N 3.32Å
673	A	34.2	Very low	44	Very low	88 Å²	88	97.2 Å²	97.2	73%	0.727	56%	0.564	S	S	*	*			trans	-69.6	87.1	177.1	0	0	0	0	0	111.8
674	K	30.4	Very low	42.9	Very low	185 Å²	185	101.9 Å²	101.9	80%	0.804	60%	0.604	S	S	*	*			trans	-60.1	143.6	168.1	-69.5	-178.1	178.4	178.9	0	110.1	C672 E676	C672-K674 PolarHBondContact O-N 3.32Å; K674-E676 PolarHBondContact O-N 3.17Å
675	P	34	Very low	42.1	Very low	120 Å²	120	110.1 Å²	110.1	78%	0.779	64%	0.638	S	S	*	*			trans	-65.9	117.9	168.7	28	-32.9	0	0	0	109.5	S677	P675-S677 VanDerWaalsContact C-N 3.29Å; P675-S677 PolarHBondContact O-N 3.41Å
676	E	32.6	Very low	41.2	Very low	163 Å²	163	109.3 Å²	109.3	76%	0.762	65%	0.647	S	S	*	*			trans	-71.5	85.9	169	-75.9	-151	134.2	0	0	109.9	K674 K678	K674-E676 PolarHBondContact O-N 3.17Å; E676-K678 PolarHBondContact O-N 3.39Å
677	S	33.9	Very low	40.4	Very low	114 Å²	114	113.5 Å²	113.5	80%	0.797	67%	0.67	S	S	*	*			trans	-71.7	75.4	167.1	61.1	0	0	0	0	110.2	P675 G679	P675-S677 VanDerWaalsContact C-N 3.29Å; P675-S677 PolarHBondContact O-N 3.41Å; S677-G679 VanDerWaalsContact C-N 3.31Å; S677-G679 PolarHBondContact O-N 3.23Å
678	K	36.2	Very low	39.6	Very low	159 Å²	159	117.1 Å²	117.1	69%	0.691	70%	0.698	S	S	*	*			trans	-69.3	90.6	166.5	-79.6	-173.9	178.7	174	0	109.5	E676 D680	E676-K678 PolarHBondContact O-N 3.39Å; K678-D680 PolarHBondContact O-N 3.12Å
679	G	31.6	Very low	38.9	Very low	67 Å²	67	115 Å²	115	69%	0.691	71%	0.708	S	S	*	*			trans	-79.1	94	164.4	0	0	0	0	0	109.7	S677 S681	S677-G679 VanDerWaalsContact C-N 3.31Å; S677-G679 PolarHBondContact O-N 3.23Å; G679-S681 VanDerWaalsContact C-N 3.28Å; G679-S681 PolarHBondContact O-N 2.95Å
680	D	37.2	Very low	38.3	Very low	149 Å²	149	120.8 Å²	120.8	80%	0.797	72%	0.721	S	S	*	*			trans	-74.3	85.4	164.5	-79.6	-48.1	0	0	0	109.2	K678 V682	K678-D680 PolarHBondContact O-N 3.12Å; D680-V682 PolarHBondContact O-N 2.79Å
681	S	36.4	Very low	37.6	Very low	112 Å²	112	128.1 Å²	128.1	78%	0.783	75%	0.752	S	S	*	*			trans	-79.3	106.2	168.5	57.9	0	0	0	0	109.7	G679	G679-S681 VanDerWaalsContact C-N 3.28Å; G679-S681 PolarHBondContact O-N 2.95Å
682	V	42.9	Very low	37.6	Very low	133 Å²	133	131.1 Å²	131.1	81%	0.806	77%	0.766	S	S	*	*			trans	-121.8	119.7	168.1	-177.3	0	0	0	0	108.6	D680 A684	D680-V682 PolarHBondContact O-N 2.79Å; V682-A684 PolarHBondContact O-N 3.22Å
683	D	39.2	Very low	37.8	Very low	144 Å²	144	134.5 Å²	134.5	77%	0.77	77%	0.772	S	S	*	*			trans	-63.9	114.1	-173.5	-69	-91.8	0	0	0	113.6	K685	D683-K685 PolarHBondContact O-N 3.5Å
684	A	37	Very low	38.1	Very low	108 Å²	108	136.6 Å²	136.6	89%	0.893	77%	0.771	S	S	*	*			trans	-78.4	82.1	165	0	0	0	0	0	110.4	V682	V682-A684 PolarHBondContact O-N 3.22Å
685	K	40.9	Very low	38.5	Very low	191 Å²	191	135.4 Å²	135.4	83%	0.83	77%	0.768	S	S	*	*			trans	-84.8	143.2	168.2	-96.8	-178.7	177.9	172.5	0	112.1	D683	D683-K685 PolarHBondContact O-N 3.5Å
686	S	40.8	Very low	38.9	Very low	102 Å²	102	134.3 Å²	134.3	71%	0.713	76%	0.764	S	S	*	*			trans	-69.3	137.2	178.4	52.2	0	0	0	0	112.9
687	D	41.9	Very low	39.3	Very low	149 Å²	149	134.7 Å²	134.7	80%	0.797	77%	0.771	S	S	*	*				177	161.4	124.9	-92.3	-31	0	0	0	109.9
688	S	40.7	Very low	39.6	Very low	100 Å²	100	132.7 Å²	132.7	70%	0.699	77%	0.768	S	S	*	*			cis	172.6	100.1	-31.2	-92	0	0	0	0	106
689	A	39.9	Very low	39.9	Very low	100 Å²	100	129.9 Å²	129.9	83%	0.826	77%	0.774	S	S	*	*			trans	80.4	146.4	158.2	0	0	0	0	0	123.4
690	K	39.6	Very low	40.5	Very low	188 Å²	188	131.3 Å²	131.3	82%	0.817	77%	0.774	S	S	*	*			trans	83.1	104.2	153.5	-75.7	-178.5	171.7	-176.2	0	123.2
691	F	39.6	Very low	40.7	Very low	193 Å²	193	131.8 Å²	131.8	85%	0.846	78%	0.777	S	S	*	*				36.9	151.6	109.3	-70.3	-81.6	0	0	0	120.8
692	P	45.5	Very low	41.1	Very low	95 Å²	95	132 Å²	132	62%	0.617	78%	0.778	S	S	*	*			cis	-145.7	-156.6	-43.3	40.5	-19.2	0	0	0	114.2
693	E	40	Very low	41.1	Very low	165 Å²	165	130.5 Å²	130.5	77%	0.771	77%	0.773	S	S	*	*			trans	85	123.5	152.9	-79.2	165.3	-150.9	0	0	122.8
694	N	39.3	Very low	41.2	Very low	131 Å²	131	131.6 Å²	131.6	70%	0.701	77%	0.774	S	S	*	*			trans	52	149.1	133.4	-69.7	41.6	0	0	0	122.7
695	E	39.6	Very low	41.9	Very low	160 Å²	160	133.1 Å²	133.1	75%	0.748	77%	0.772	S	S	*	*			cis	-168.2	177.5	-16.4	-123.2	-174.1	136.6	0	0	111.6
696	S	41.9	Very low	41.9	Very low	97 Å²	97	130.5 Å²	130.5	68%	0.678	77%	0.772	S	S	*	*			trans	86.1	101.2	150.8	73	0	0	0	0	123.6
697	N	40.6	Very low	42.4	Very low	172 Å²	172	129.4 Å²	129.4	92%	0.92	78%	0.777	S	S	*	*				66.5	132.4	116.6	-59.3	-18.2	0	0	0	125.7
698	G	40.8	Very low	42.5	Very low	72 Å²	72	129.9 Å²	129.9	74%	0.742	78%	0.78	S	S	*	*			trans	144.9	91.1	160.3	0	0	0	0	0	113.1
699	A	42.9	Very low	43	Very low	99 Å²	99	133.9 Å²	133.9	82%	0.818	79%	0.787	S	S	*	*				73.5	132.4	69.4	0	0	0	0	0	113.5
700	S	44.6	Very low	43.5	Very low	98 Å²	98	139.4 Å²	139.4	69%	0.685	81%	0.811	S	S	*	*			cis	-161.4	160.5	6.5	-23.9	0	0	0	0	112.7
701	N	40.8	Very low	43.7	Very low	158 Å²	158	137 Å²	137	85%	0.845	81%	0.81	S	S	*	*			trans	58.1	153	149	-58.1	-3.8	0	0	0	120.3
702	S	43.7	Very low	43.9	Very low	116 Å²	116	134 Å²	134	81%	0.811	81%	0.809	S	S	*	*			cis	-161.1	-169.9	-13.3	47.8	0	0	0	0	107.1
703	S	43.8	Very low	43.9	Very low	102 Å²	102	136.2 Å²	136.2	71%	0.713	82%	0.819	S	S	*	*			cis	-156	-164.4	11.2	59.1	0	0	0	0	110.5
704	E	42.1	Very low	44.1	Very low	167 Å²	167	134.5 Å²	134.5	78%	0.78	82%	0.822	S	S	*	*			trans	-79.3	177.6	175.3	-45.3	110.5	106.9	0	0	114.1
705	V	50.1	Low	44.4	Very low	141 Å²	141	134.7 Å²	134.7	86%	0.855	83%	0.83	S	S	*	*				-153.7	149.8	70	160	0	0	0	0	113.1
706	T	40.9	Very low	44.7	Very low	136 Å²	136	133 Å²	133	83%	0.834	84%	0.835	S	S	*	*			trans	-96.3	155.2	176.4	52.2	0	0	0	0	114.2
707	G	53.1	Low	44.9	Very low	79 Å²	79	135.6 Å²	135.6	81%	0.814	85%	0.846	S	S	*	*			trans	-156.1	143.7	165.4	0	0	0	0	0	111.7
708	N	43.6	Very low	45.2	Very low	159 Å²	159	132.8 Å²	132.8	85%	0.85	84%	0.841	S	S	*	*			trans	-146.3	-173.6	-177.8	-157.8	25.1	0	0	0	109.4
709	E	51.5	Low	45.6	Very low	184 Å²	184	137.8 Å²	137.8	86%	0.86	85%	0.849	S	S	*	*			trans	76.7	138.3	-171.1	-48.3	-177.6	137.3	0	0	112.1
710	T	50.2	Low	45.8	Very low	215 Å²	215	141.4 Å²	141.4	100%	1.319	85%	0.852	S	S	*	*			cis	-118.1	0	18.8	-36.1	0	0	0	0	113

Retrieved 710 of 710 residues in 1082.8 ms (Link to these results)

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