A0A3Q0KR57_SCHMA Loading...

Putative ef-hand domain (C-terminal) containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KR57, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 648 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	61.8	Low	73.7	Confident	162 Å²	162	113.7 Å²	113.7	80%	0.798	68%	0.681	S	S	*	*				0	3.9	0	-86.8	-152.9	-115.9	0	0	113	G3 L4 F12	M1-G3 PolarHBondContact O-N 2.94Å; M1-L4 HydrophobicContact CB-CD1 4.43Å; M1-L4 HydrophobicContact CG-CD1 4.05Å; M1-L4 HydrophobicContact SD-CD1 4.18Å; M1-F12 HydrophobicContact CE-CB 3.98Å; M1-F12 HydrophobicContact CE-CD2 3.29Å; M1-F12 HydrophobicContact CE-CE2 3.98Å; M1-F12 HydrophobicContact CE-CG 3.83Å; M1-F12 HydrophobicContact SD-CD2 3.3Å; M1-F12 WeakPolarHBondContact SD-CD2 3.5Å; M1-F12 HydrophobicContact SD-CE2 3.55Å; M1-F12 VanDerWaalsContact SD-CE2 3.55Å; M1-F12 HydrophobicContact SD-CG 4.38Å
2	E	58.5	Low	74	Confident	181 Å²	181	116.3 Å²	116.3	85%	0.846	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	129.2	175	-72.5	172.9	168.1	0	0	110.1
3	G	70	Confident	74.1	Confident	83 Å²	83	122.8 Å²	122.8	86%	0.856	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	103.6	-5.3	-179.5	0	0	0	0	0	116.5	M1	M1-G3 PolarHBondContact O-N 2.94Å
4	L	78.2	Confident	74.2	Confident	83 Å²	83	119.3 Å²	119.3	44%	0.435	67%	0.671	S	S	.	*			trans	-79.8	132.4	172.9	-74.7	166	0	0	0	111	M1	M1-L4 HydrophobicContact CB-CD1 4.43Å; M1-L4 HydrophobicContact CG-CD1 4.05Å; M1-L4 HydrophobicContact SD-CD1 4.18Å
5	P	75.3	Confident	74.6	Confident	72 Å²	72	119.9 Å²	119.9	47%	0.468	68%	0.682	S	S	.	*			trans	-68.9	142.5	174.5	26.7	-31.4	0	0	0	110.6	L7 N10	P5-L7 HydrophobicContact CB-CD1 4.25Å; P5-L7 HydrophobicContact CB-CG 4.2Å; P5-L7 HydrophobicContact CG-CD1 4.03Å; P5-L7 HydrophobicContact CG-CG 4.42Å; P5-L7 PolarHBondContact O-N 2.96Å; P5-N10 VanDerWaalsContact O-CB 3.24Å; P5-N10 WeakPolarHBondContact O-CB 3.4Å; P5-N10 PolarHBondContact O-ND2 3.37Å
6	F	76.5	Confident	75.1	Confident	217 Å²	217	119 Å²	119	95%	0.952	68%	0.679	S	S	*	*			trans	-73.3	48.5	178.6	-66	-76.7	0	0	0	113.3
7	L	79	Confident	75.1	Confident	107 Å²	107	114.9 Å²	114.9	56%	0.56	65%	0.653	S	S	*	*			trans	-82.9	148.3	173	-63.9	169.3	0	0	0	109.8	P5 G9 N10	P5-L7 HydrophobicContact CB-CD1 4.25Å; P5-L7 HydrophobicContact CB-CG 4.2Å; P5-L7 HydrophobicContact CG-CD1 4.03Å; P5-L7 HydrophobicContact CG-CG 4.42Å; P5-L7 PolarHBondContact O-N 2.96Å; L7-G9 PolarHBondContact O-N 3.41Å; L7-G9 VanDerWaalsContact O-N 3.12Å; L7-N10 PolarHBondContact O-N 2.99Å
8	P	78.2	Confident	75.5	Confident	138 Å²	138	115.1 Å²	115.1	90%	0.896	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.7	121.1	169.9	-21.9	31.4	0	0	0	110
9	G	79.4	Confident	75.9	Confident	65 Å²	65	113.9 Å²	113.9	67%	0.67	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	113.6	-26.1	-174.8	0	0	0	0	0	114.8	L7	L7-G9 PolarHBondContact O-N 3.41Å; L7-G9 VanDerWaalsContact O-N 3.12Å
10	N	80.9	Confident	76.3	Confident	59 Å²	59	115.1 Å²	115.1	32%	0.316	65%	0.646	S	S	.	*	S	Bend	trans	-93.4	7.1	178	-69.7	-14.9	0	0	0	113.7	P5 L7	P5-N10 VanDerWaalsContact O-CB 3.24Å; P5-N10 WeakPolarHBondContact O-CB 3.4Å; P5-N10 PolarHBondContact O-ND2 3.37Å; L7-N10 PolarHBondContact O-N 2.99Å
11	A	72.5	Confident	76.8	Confident	84 Å²	84	114.6 Å²	114.6	69%	0.694	64%	0.639	S	S	*	*			trans	-105.4	123.3	177.7	0	0	0	0	0	110.1
12	F	78.2	Confident	77.8	Confident	144 Å²	144	114 Å²	114	63%	0.632	64%	0.638	S	S	*	*			trans	-104.1	125.9	178.7	-57.7	-95	0	0	0	109.4	M1	M1-F12 HydrophobicContact CE-CB 3.98Å; M1-F12 HydrophobicContact CE-CD2 3.29Å; M1-F12 HydrophobicContact CE-CE2 3.98Å; M1-F12 HydrophobicContact CE-CG 3.83Å; M1-F12 HydrophobicContact SD-CD2 3.3Å; M1-F12 WeakPolarHBondContact SD-CD2 3.5Å; M1-F12 HydrophobicContact SD-CE2 3.55Å; M1-F12 VanDerWaalsContact SD-CE2 3.55Å; M1-F12 HydrophobicContact SD-CG 4.38Å
13	K	74.9	Confident	78.7	Confident	202 Å²	202	107.1 Å²	107.1	88%	0.878	61%	0.61	S	S	*	*			trans	-77.5	129.3	170.1	-73.2	-177.3	178.2	179.4	0	108.6	P15	K13-P15 VanDerWaalsContact O-CD 3.25Å; K13-P15 WeakPolarHBondContact O-CD 3.12Å
14	D	75.5	Confident	79.1	Confident	73 Å²	73	109.7 Å²	109.7	39%	0.39	60%	0.599	S	S	.	*			trans	-75.4	111.3	173.7	178	4.4	0	0	0	109.9	T16 R46	D14-T16 VanDerWaalsContact CG-OG1 3.28Å; D14-T16 PolarHBondContact O-N 3.46Å; D14-T16 WeakPolarHBondContact OD1-CB 3.28Å; D14-T16 PolarHBondContact OD1-N 2.84Å; D14-T16 PolarHBondContact OD1-OG1 2.82Å; D14-T16 PolarHBondContact OD2-OG1 2.87Å; D14-R46 IonicContact OD2-CZ 3.71Å; D14-R46 IonicContact OD2-NH2 2.72Å; D14-R46 PolarHBondContact OD2-NH2 3.11Å
15	P	80.6	Confident	79.2	Confident	129 Å²	129	107.8 Å²	107.8	84%	0.838	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	-8.5	-178.2	31.6	-35.1	0	0	0	113.3	K13	K13-P15 VanDerWaalsContact O-CD 3.25Å; K13-P15 WeakPolarHBondContact O-CD 3.12Å
16	T	81.4	Confident	79.6	Confident	105 Å²	105	110.4 Å²	110.4	64%	0.644	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-5.2	-179.7	69.3	0	0	0	0	113.6	D14 T18	D14-T16 VanDerWaalsContact CG-OG1 3.28Å; D14-T16 PolarHBondContact O-N 3.46Å; D14-T16 WeakPolarHBondContact OD1-CB 3.28Å; D14-T16 PolarHBondContact OD1-N 2.84Å; D14-T16 PolarHBondContact OD1-OG1 2.82Å; D14-T16 PolarHBondContact OD2-OG1 2.87Å; T16-T18 PolarHBondContact O-N 3.19Å
17	Q	76.2	Confident	79.9	Confident	49 Å²	49	104.2 Å²	104.2	23%	0.229	58%	0.577	C	S	.	*			trans	-73.7	115.1	-177.8	-170	170.2	2.5	0	0	112.1	N19 F20	Q17-N19 PolarHBondContact NE2-O 3.36Å; Q17-F20 HydrophobicContact CB-CE1 4.43Å; Q17-F20 HydrophobicContact CB-CZ 4.39Å; Q17-F20 HydrophobicContact CG-CD1 4.47Å; Q17-F20 HydrophobicContact CG-CE1 3.9Å; Q17-F20 HydrophobicContact CG-CZ 4.15Å; Q17-F20 WeakPolarHBondContact O-CZ 3.35Å
18	T	82.3	Confident	80.2	Confident	119 Å²	119	104.6 Å²	104.6	73%	0.73	58%	0.578	S	S	*	*			trans	-106.5	-21.5	178.3	52.3	0	0	0	0	113.7	T16	T16-T18 PolarHBondContact O-N 3.19Å
19	N	81.9	Confident	80.5	Confident	92 Å²	92	105.1 Å²	105.1	49%	0.492	57%	0.566	S	S	.	*			trans	-102	129.4	-179.6	-76.2	-24.4	0	0	0	111.9	Q17 G44	Q17-N19 PolarHBondContact NE2-O 3.36Å; N19-G44 WeakPolarHBondContact O-CA 3.38Å
20	F	84.9	Confident	80.6	Confident	138 Å²	138	109.1 Å²	109.1	61%	0.605	57%	0.572	S	S	*	*			trans	-130.2	17.1	-177.2	-57.5	-80.4	0	0	0	113.8	Q17	Q17-F20 HydrophobicContact CB-CE1 4.43Å; Q17-F20 HydrophobicContact CB-CZ 4.39Å; Q17-F20 HydrophobicContact CG-CD1 4.47Å; Q17-F20 HydrophobicContact CG-CE1 3.9Å; Q17-F20 HydrophobicContact CG-CZ 4.15Å; Q17-F20 WeakPolarHBondContact O-CZ 3.35Å
21	H	85.8	Confident	80.9	Confident	104 Å²	104	109.1 Å²	109.1	48%	0.481	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-68.5	143.7	179.7	58.9	-89.9	0	0	0	111.8	G44 G45	H21-G44 PolarHBondContact O-N 3.29Å; H21-G45 PolarHBondContact NE2-N 3.3Å
22	L	82.5	Confident	81	Confident	149 Å²	149	112.8 Å²	112.8	78%	0.78	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-81.6	136.2	175.4	-73.8	158.1	0	0	0	110.2	I43	L22-I43 HydrophobicContact CD2-CG1 4.32Å
23	S	77.8	Confident	81.5	Confident	38 Å²	38	117 Å²	117	27%	0.266	60%	0.599	S	S	.	*	P	Polyproline II helix	trans	-76.3	133.1	172.1	55	0	0	0	0	111.1	T25 V41	S23-T25 PolarHBondContact O-N 2.99Å; S23-V41 WeakPolarHBondContact CB-O 3.49Å; S23-V41 PolarHBondContact OG-O 3.2Å
24	H	79.6	Confident	81.8	Confident	136 Å²	136	113.2 Å²	113.2	63%	0.63	58%	0.579	S	S	*	*			trans	-76.1	92.3	177.9	-144.7	-105	0	0	0	110.6	L26 D27	H24-L26 PolarHBondContact CE1-O 3.46Å; H24-L26 VanDerWaalsContact CE1-O 3.26Å; H24-L26 PolarHBondContact ND1-O 3.09Å; H24-D27 IonicContact CE1-OD1 2.91Å; H24-D27 IonicContact ND1-OD1 3.27Å; H24-D27 IonicContact ND1-OD2 3.47Å
25	T	79.9	Confident	82	Confident	44 Å²	44	112.4 Å²	112.4	27%	0.27	58%	0.583	S	S	.	*			trans	-100.6	-17.6	178.9	48.8	0	0	0	0	113.3	S23 A35 K36 P39	S23-T25 PolarHBondContact O-N 2.99Å; T25-A35 CarbonylContact O-C 3.57Å; T25-A35 WeakPolarHBondContact O-CA 3.44Å; T25-K36 PolarHBondContact O-N 2.83Å; T25-P39 HydrophobicContact CG2-CB 3.66Å
26	L	83.7	Confident	81.7	Confident	127 Å²	127	110.2 Å²	110.2	67%	0.665	56%	0.56	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-115.6	120.9	176.1	-60.3	174.5	0	0	0	107.9	H24 A35	H24-L26 PolarHBondContact CE1-O 3.46Å; H24-L26 VanDerWaalsContact CE1-O 3.26Å; H24-L26 PolarHBondContact ND1-O 3.09Å; L26-A35 HydrophobicContact CD2-CB 3.64Å
27	D	83	Confident	81.2	Confident	86 Å²	86	108.9 Å²	108.9	46%	0.46	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-137.7	169	-176	-152	-10.9	0	0	0	111.6	H24 Y34	H24-D27 IonicContact CE1-OD1 2.91Å; H24-D27 IonicContact ND1-OD1 3.27Å; H24-D27 IonicContact ND1-OD2 3.47Å; D27-Y34 HydrophobicContact CB-CD1 4.42Å; D27-Y34 PolarHBondContact N-O 3.4Å; D27-Y34 PolarHBondContact O-N 3.02Å
28	M	85.9	Confident	81	Confident	115 Å²	115	113.7 Å²	113.7	57%	0.567	58%	0.577	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-118.4	120	170.7	-90.2	-170.2	71.4	0	0	110.5	G31 F32 R33	M28-G31 WeakPolarHBondContact CE-O 3.3Å; M28-F32 CarbonylContact C-O 3.57Å; M28-F32 WeakPolarHBondContact CA-O 3.43Å; M28-R33 HydrophobicContact CG-CG 4.01Å; M28-R33 HydrophobicContact SD-CG 4.44Å
29	K	83	Confident	80.4	Confident	150 Å²	150	110.9 Å²	110.9	65%	0.652	56%	0.561	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-118.6	122.3	176	-168.1	176.2	-178	-179.9	0	109.5	G31 F32	K29-G31 VanDerWaalsContact C-N 3.29Å; K29-G31 PolarHBondContact O-N 3.15Å; K29-F32 PolarHBondContact N-O 2.86Å; K29-F32 PolarHBondContact O-N 3.28Å
30	N	82.5	Confident	80	Confident	148 Å²	148	112.8 Å²	112.8	79%	0.791	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	53.3	38	179.2	-60.3	-14.8	0	0	0	114.7	F32	N30-F32 VanDerWaalsContact C-N 3.27Å; N30-F32 VanDerWaalsContact O-CD2 3.31Å; N30-F32 WeakPolarHBondContact O-CD2 3.39Å; N30-F32 PolarHBondContact O-N 2.96Å
31	G	86	Confident	79.7	Confident	60 Å²	60	109.1 Å²	109.1	62%	0.619	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	83.1	-4.8	-179.2	0	0	0	0	0	115	M28 K29	M28-G31 WeakPolarHBondContact CE-O 3.3Å; K29-G31 VanDerWaalsContact C-N 3.29Å; K29-G31 PolarHBondContact O-N 3.15Å
32	F	75.4	Confident	79.3	Confident	161 Å²	161	104.8 Å²	104.8	71%	0.706	54%	0.539	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.3	135.9	176	-61.1	-81.8	0	0	0	110.9	M28 K29 N30 Y34	M28-F32 CarbonylContact C-O 3.57Å; M28-F32 WeakPolarHBondContact CA-O 3.43Å; K29-F32 PolarHBondContact N-O 2.86Å; K29-F32 PolarHBondContact O-N 3.28Å; N30-F32 VanDerWaalsContact C-N 3.27Å; N30-F32 VanDerWaalsContact O-CD2 3.31Å; N30-F32 WeakPolarHBondContact O-CD2 3.39Å; N30-F32 PolarHBondContact O-N 2.96Å; F32-Y34 PolarHBondContact O-N 2.9Å
33	R	87.6	Confident	79.2	Confident	232 Å²	232	102.3 Å²	102.3	88%	0.875	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.2	122	172.2	-62.4	176.6	-176	173.4	0.6	108.3	M28	M28-R33 HydrophobicContact CG-CG 4.01Å; M28-R33 HydrophobicContact SD-CG 4.44Å
34	Y	83.1	Confident	79.4	Confident	122 Å²	122	101.1 Å²	101.1	48%	0.478	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	125.1	178.1	157.4	-97.9	0	0	0	108.8	D27 F32 K36	D27-Y34 HydrophobicContact CB-CD1 4.42Å; D27-Y34 PolarHBondContact N-O 3.4Å; D27-Y34 PolarHBondContact O-N 3.02Å; F32-Y34 PolarHBondContact O-N 2.9Å; Y34-K36 HydrophobicContact CE1-CG 3.92Å
35	A	79.6	Confident	79.3	Confident	56 Å²	56	96.2 Å²	96.2	46%	0.463	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	133.2	169.5	0	0	0	0	0	108.8	T25 L26 A37	T25-A35 CarbonylContact O-C 3.57Å; T25-A35 WeakPolarHBondContact O-CA 3.44Å; L26-A35 HydrophobicContact CD2-CB 3.64Å; A35-A37 PolarHBondContact O-N 2.87Å
36	K	74.4	Confident	79	Confident	84 Å²	84	99 Å²	99	37%	0.365	51%	0.511	S	S	.	.			trans	-59.5	130.3	166.2	-78.2	-170	171	-166.4	0	108.2	T25 Y34 Y38 E40	T25-K36 PolarHBondContact O-N 2.83Å; Y34-K36 HydrophobicContact CE1-CG 3.92Å; K36-Y38 PolarHBondContact O-N 3.38Å; K36-Y38 VanDerWaalsContact O-N 3.13Å; K36-E40 IonicContact NZ-OE2 3.85Å; K36-E40 PolarHBondContact NZ-OE2 3.27Å
37	A	70.4	Confident	78.5	Confident	76 Å²	76	98.4 Å²	98.4	63%	0.628	52%	0.515	S	S	*	.	S	Bend	trans	-56	-33.1	-175.6	0	0	0	0	0	112.4	A35	A35-A37 PolarHBondContact O-N 2.87Å
38	Y	71.6	Confident	78	Confident	150 Å²	150	98 Å²	98	59%	0.588	51%	0.512	S	S	*	.	S	Bend	trans	-144.1	136.4	177.8	-37.7	-79.2	0	0	0	109.7	K36 E40	K36-Y38 PolarHBondContact O-N 3.38Å; K36-Y38 VanDerWaalsContact O-N 3.13Å; Y38-E40 PolarHBondContact O-N 3.41Å
39	P	70.6	Confident	77	Confident	61 Å²	61	101.1 Å²	101.1	40%	0.396	52%	0.522	S	S	.	.			trans	-68.7	119.4	169.4	27.1	-31.9	0	0	0	110.3	T25 L48	T25-P39 HydrophobicContact CG2-CB 3.66Å; P39-L48 HydrophobicContact CB-CD1 3.66Å; P39-L48 HydrophobicContact CG-CD1 3.77Å; P39-L48 WeakPolarHBondContact O-CD1 3.27Å
40	E	72.6	Confident	75.8	Confident	132 Å²	132	97.3 Å²	97.3	62%	0.617	51%	0.511	S	S	*	.	S	Bend	trans	-77.3	-26.1	179.2	-66.6	164.5	155.4	0	0	112.3	K36 Y38	K36-E40 IonicContact NZ-OE2 3.85Å; K36-E40 PolarHBondContact NZ-OE2 3.27Å; Y38-E40 PolarHBondContact O-N 3.41Å
41	V	79.7	Confident	74.6	Confident	60 Å²	60	96.6 Å²	96.6	36%	0.364	51%	0.508	S	S	.	.	B	Isolated β-bridge	trans	-140.5	141	-176.9	-88.1	0	0	0	0	110.2	S23	S23-V41 WeakPolarHBondContact CB-O 3.49Å; S23-V41 PolarHBondContact OG-O 3.2Å
42	G	76.4	Confident	73.3	Confident	13 Å²	13	100.4 Å²	100.4	13%	0.134	51%	0.509	C	S	.	.			trans	-87.1	-171.8	175.5	0	0	0	0	0	112.4	G44 G45 R46	G42-G44 PolarHBondContact O-N 3.04Å; G42-G45 PolarHBondContact O-N 3.47Å; G42-R46 PolarHBondContact N-O 2.97Å
43	I	80.6	Confident	72.6	Confident	97 Å²	97	95.8 Å²	95.8	50%	0.497	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-55.8	129	178.4	-61.7	171.7	0	0	0	110	L22 G45	L22-I43 HydrophobicContact CD2-CG1 4.32Å; I43-G45 VanDerWaalsContact C-N 3.32Å
44	G	81	Confident	71.4	Confident	13 Å²	13	89.9 Å²	89.9	13%	0.134	48%	0.477	C	S	.	.	G	3₁₀ helix	trans	78.5	10.7	-179.3	0	0	0	0	0	115.3	N19 H21 G42	N19-G44 WeakPolarHBondContact O-CA 3.38Å; H21-G44 PolarHBondContact O-N 3.29Å; G42-G44 PolarHBondContact O-N 3.04Å
45	G	77.8	Confident	70.6	Confident	33 Å²	33	92 Å²	92	34%	0.34	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	81.6	13.2	-179.3	0	0	0	0	0	113.9	H21 G42 I43	H21-G45 PolarHBondContact NE2-N 3.3Å; G42-G45 PolarHBondContact O-N 3.47Å; I43-G45 VanDerWaalsContact C-N 3.32Å
46	R	74.8	Confident	70.2	Confident	104 Å²	104	96.6 Å²	96.6	39%	0.392	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-63	125.6	175.8	-82.9	-172.4	173.1	146.1	4.6	109.6	D14 G42 L48	D14-R46 IonicContact OD2-CZ 3.71Å; D14-R46 IonicContact OD2-NH2 2.72Å; D14-R46 PolarHBondContact OD2-NH2 3.11Å; G42-R46 PolarHBondContact N-O 2.97Å; R46-L48 PolarHBondContact O-N 3.3Å; R46-L48 VanDerWaalsContact O-N 3.16Å
47	P	73.5	Confident	69.9	Low	114 Å²	114	97 Å²	97	74%	0.74	51%	0.507	S	S	*	.	B	Isolated β-bridge	trans	-59.5	122.5	175.7	24.1	-32.1	0	0	0	108.9
48	L	72.4	Confident	69.7	Low	76 Å²	76	98 Å²	98	40%	0.398	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-74.3	134.2	171.7	-71.6	164.5	0	0	0	107.2	P39 R46 V50	P39-L48 HydrophobicContact CB-CD1 3.66Å; P39-L48 HydrophobicContact CG-CD1 3.77Å; P39-L48 WeakPolarHBondContact O-CD1 3.27Å; R46-L48 PolarHBondContact O-N 3.3Å; R46-L48 VanDerWaalsContact O-N 3.16Å; L48-V50 PolarHBondContact O-N 2.96Å
49	K	64.1	Low	69.5	Low	181 Å²	181	95.8 Å²	95.8	79%	0.787	50%	0.499	S	S	*	.			trans	-66	92.1	165.7	-92	-173.7	174.3	-174.8	0	106.8	N51	K49-N51 VanDerWaalsContact C-N 3.33Å; K49-N51 PolarHBondContact O-N 3.04Å; K49-N51 VanDerWaalsContact O-N 3.08Å
50	V	58.4	Low	69.5	Low	70 Å²	70	99.1 Å²	99.1	42%	0.424	51%	0.51	S	S	.	.			trans	-75.1	93.6	170.3	-169.5	0	0	0	0	105.9	L48 Q52	L48-V50 PolarHBondContact O-N 2.96Å; V50-Q52 HydrophobicContact CG1-CG 3.66Å; V50-Q52 PolarHBondContact O-N 3.04Å
51	N	57.5	Low	69.1	Low	134 Å²	134	98 Å²	98	72%	0.717	51%	0.508	S	S	*	.			trans	-71.2	80.4	161.8	-83.1	6.4	0	0	0	106.6	K49 L53	K49-N51 VanDerWaalsContact C-N 3.33Å; K49-N51 PolarHBondContact O-N 3.04Å; K49-N51 VanDerWaalsContact O-N 3.08Å; N51-L53 PolarHBondContact O-N 3.3Å
52	Q	58.6	Low	68.3	Low	140 Å²	140	98.2 Å²	98.2	65%	0.654	52%	0.516	S	S	*	.			trans	-67.9	97.8	154.7	-66.6	-167.9	-3.6	0	0	104.4	V50 N54	V50-Q52 HydrophobicContact CG1-CG 3.66Å; V50-Q52 PolarHBondContact O-N 3.04Å; Q52-N54 PolarHBondContact O-N 3.32Å; Q52-N54 VanDerWaalsContact O-N 3.11Å
53	L	60.8	Low	67.6	Low	64 Å²	64	104 Å²	104	34%	0.335	54%	0.543	S	S	.	.			trans	-55.9	119.2	169	-70.4	163.7	0	0	0	106.2	N51 E57 L58 L61	N51-L53 PolarHBondContact O-N 3.3Å; L53-E57 WeakPolarHBondContact CA-OE2 3.39Å; L53-E57 HydrophobicContact CB-CB 4.2Å; L53-E57 HydrophobicContact CD2-CB 3.73Å; L53-L58 HydrophobicContact CB-CB 4.48Å; L53-L58 HydrophobicContact CB-CD1 3.95Å; L53-L58 HydrophobicContact CB-CG 3.74Å; L53-L58 HydrophobicContact CD1-CG 4.17Å; L53-L61 HydrophobicContact CD1-CD1 3.52Å; L53-L61 HydrophobicContact CD2-CD1 3.49Å; L53-L61 VanDerWaalsContact CD2-CD1 3.49Å; L53-L61 HydrophobicContact CG-CD1 4.16Å
54	N	61.9	Low	66.6	Low	107 Å²	107	107.4 Å²	107.4	57%	0.572	56%	0.555	S	S	*	*			trans	-60.1	157.2	168.5	-103.9	-6.4	0	0	0	108.7	Q52 E56 E57 L58	Q52-N54 PolarHBondContact O-N 3.32Å; Q52-N54 VanDerWaalsContact O-N 3.11Å; N54-E56 PolarHBondContact O-N 3.37Å; N54-E56 VanDerWaalsContact O-N 3.08Å; N54-E57 HydrophobicContact CB-CG 4.32Å; N54-E57 PolarHBondContact N-OE2 2.96Å; N54-E57 WeakPolarHBondContact O-CA 3.31Å; N54-E57 PolarHBondContact O-N 2.63Å; N54-L58 PolarHBondContact O-N 3.23Å
55	E	66.4	Low	65.2	Low	167 Å²	167	114 Å²	114	78%	0.78	58%	0.582	S	S	*	*	H	α-helix	trans	-52.7	-35.7	-179.7	-152.7	164.8	-157.2	0	0	111.3	L58 D59	E55-L58 PolarHBondContact O-N 3.06Å; E55-D59 PolarHBondContact O-N 3.19Å
56	E	70.6	Confident	64	Low	152 Å²	152	116 Å²	116	71%	0.71	59%	0.589	S	S	*	*	H	α-helix	trans	-64.4	-42.9	171.9	-63.5	177.6	164.2	0	0	113.7	N54 L58 D59 E60	N54-E56 PolarHBondContact O-N 3.37Å; N54-E56 VanDerWaalsContact O-N 3.08Å; E56-L58 VanDerWaalsContact C-N 3.35Å; E56-D59 PolarHBondContact O-N 3.16Å; E56-E60 PolarHBondContact O-N 3.44Å
57	E	68.8	Low	62.9	Low	94 Å²	94	116.4 Å²	116.4	44%	0.439	60%	0.603	S	S	.	*	H	α-helix	trans	-73.2	-29.4	178.8	-62	-178.6	152.4	0	0	111.9	L53 N54 L61	L53-E57 WeakPolarHBondContact CA-OE2 3.39Å; L53-E57 HydrophobicContact CB-CB 4.2Å; L53-E57 HydrophobicContact CD2-CB 3.73Å; N54-E57 HydrophobicContact CB-CG 4.32Å; N54-E57 PolarHBondContact N-OE2 2.96Å; N54-E57 WeakPolarHBondContact O-CA 3.31Å; N54-E57 PolarHBondContact O-N 2.63Å; E57-L61 WeakPolarHBondContact O-CB 3.37Å; E57-L61 WeakPolarHBondContact O-CG 3.4Å; E57-L61 PolarHBondContact O-N 3.17Å
58	L	66.6	Low	62	Low	96 Å²	96	117.7 Å²	117.7	50%	0.503	60%	0.603	S	S	.	*	H	α-helix	trans	-67	-43.1	171.3	-102.5	151.4	0	0	0	111.3	L53 N54 E55 E56 L61 A62	L53-L58 HydrophobicContact CB-CB 4.48Å; L53-L58 HydrophobicContact CB-CD1 3.95Å; L53-L58 HydrophobicContact CB-CG 3.74Å; L53-L58 HydrophobicContact CD1-CG 4.17Å; N54-L58 PolarHBondContact O-N 3.23Å; E55-L58 PolarHBondContact O-N 3.06Å; E56-L58 VanDerWaalsContact C-N 3.35Å; L58-L61 PolarHBondContact O-N 3.37Å; L58-A62 WeakPolarHBondContact O-CB 3.36Å; L58-A62 PolarHBondContact O-N 3.39Å
59	D	67.5	Low	61.1	Low	103 Å²	103	119.5 Å²	119.5	55%	0.551	62%	0.618	S	S	*	*	H	α-helix	trans	-68.7	-38.2	175.8	-87.4	-10.3	0	0	0	112.3	E55 E56 A62 N63	E55-D59 PolarHBondContact O-N 3.19Å; E56-D59 PolarHBondContact O-N 3.16Å; D59-A62 PolarHBondContact O-N 3.26Å; D59-N63 PolarHBondContact O-N 2.96Å; D59-N63 PolarHBondContact O-ND2 2.98Å; D59-N63 VanDerWaalsContact O-ND2 3.07Å
60	E	68.7	Low	60.4	Low	131 Å²	131	120 Å²	120	61%	0.612	62%	0.616	S	S	*	*	H	α-helix	trans	-62.9	-43.9	172.9	-79.5	-169.6	162.2	0	0	111.8	E56 A62 N63 F64	E56-E60 PolarHBondContact O-N 3.44Å; E60-A62 VanDerWaalsContact C-N 3.33Å; E60-A62 PolarHBondContact O-N 2.66Å; E60-N63 PolarHBondContact O-N 2.99Å; E60-F64 WeakPolarHBondContact O-CD2 3.22Å; E60-F64 PolarHBondContact O-N 3.4Å
61	L	65.6	Low	60	Low	110 Å²	110	120.4 Å²	120.4	58%	0.576	63%	0.634	S	S	*	*	H	α-helix	trans	-66.3	-33.6	176	-84	165.1	0	0	0	113	L53 E57 L58 N63 F64	L53-L61 HydrophobicContact CD1-CD1 3.52Å; L53-L61 HydrophobicContact CD2-CD1 3.49Å; L53-L61 VanDerWaalsContact CD2-CD1 3.49Å; L53-L61 HydrophobicContact CG-CD1 4.16Å; E57-L61 WeakPolarHBondContact O-CB 3.37Å; E57-L61 WeakPolarHBondContact O-CG 3.4Å; E57-L61 PolarHBondContact O-N 3.17Å; L58-L61 PolarHBondContact O-N 3.37Å; L61-N63 PolarHBondContact O-N 3.36Å; L61-F64 PolarHBondContact O-N 3.39Å
62	A	61.8	Low	59.6	Low	64 Å²	64	125.7 Å²	125.7	53%	0.529	64%	0.644	S	S	.	*	H	α-helix	trans	-65.8	-27.4	175.6	0	0	0	0	0	112.5	L58 D59 E60	L58-A62 WeakPolarHBondContact O-CB 3.36Å; L58-A62 PolarHBondContact O-N 3.39Å; D59-A62 PolarHBondContact O-N 3.26Å; E60-A62 VanDerWaalsContact C-N 3.33Å; E60-A62 PolarHBondContact O-N 2.66Å
63	N	62.4	Low	59.1	Low	134 Å²	134	123.8 Å²	123.8	72%	0.717	64%	0.642	S	S	*	*	H	α-helix	trans	-84.9	-19	-178.5	-75.4	-36.9	0	0	0	114.3	D59 E60 L61	D59-N63 PolarHBondContact O-N 2.96Å; D59-N63 PolarHBondContact O-ND2 2.98Å; D59-N63 VanDerWaalsContact O-ND2 3.07Å; E60-N63 PolarHBondContact O-N 2.99Å; L61-N63 PolarHBondContact O-N 3.36Å
64	F	59.7	Low	58.5	Low	168 Å²	168	130.3 Å²	130.3	74%	0.737	67%	0.668	S	S	*	*	S	Bend	trans	-84.9	-17.2	-165.2	-105.4	-80	0	0	0	117.6	E60 L61	E60-F64 WeakPolarHBondContact O-CD2 3.22Å; E60-F64 PolarHBondContact O-N 3.4Å; L61-F64 PolarHBondContact O-N 3.39Å
65	Q	51.9	Low	58.1	Low	153 Å²	153	133.8 Å²	133.8	72%	0.715	68%	0.68	S	S	*	*			trans	-179.9	91.1	168	-108.9	168.7	12.6	0	0	112.2	T67	Q65-T67 VanDerWaalsContact C-N 3.34Å; Q65-T67 PolarHBondContact O-N 3.15Å
66	P	51.1	Low	57.4	Low	75 Å²	75	130.9 Å²	130.9	49%	0.487	68%	0.679	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.5	12.4	-174.6	33.5	-34	0	0	0	114.7
67	T	53.4	Low	56.7	Low	111 Å²	111	131.6 Å²	131.6	68%	0.681	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	-8	-167.2	47.1	0	0	0	0	116.3	Q65	Q65-T67 VanDerWaalsContact C-N 3.34Å; Q65-T67 PolarHBondContact O-N 3.15Å
68	L	53.2	Low	56.4	Low	142 Å²	142	133.7 Å²	133.7	74%	0.743	71%	0.705	S	S	*	*	S	Bend	trans	-122.2	-1.8	-162.1	-71.7	172.8	0	0	0	117.9
69	T	54.4	Low	56.4	Low	114 Å²	114	134.1 Å²	134.1	70%	0.699	72%	0.716	S	S	*	*	S	Bend	trans	-140.3	-19.5	-172.4	-9.4	0	0	0	0	116
70	Y	49.3	Very low	56.9	Low	191 Å²	191	137.3 Å²	137.3	75%	0.749	73%	0.728	S	S	*	*	S	Bend	trans	-140.8	119.2	175.1	-62.3	-83.3	0	0	0	106.8
71	G	49.5	Very low	57.6	Low	78 Å²	78	139.8 Å²	139.8	80%	0.804	74%	0.737	S	S	*	*	S	Bend	trans	-48.2	142.8	-176.5	0	0	0	0	0	111.9	T73	G71-T73 PolarHBondContact O-N 3.28Å; G71-T73 VanDerWaalsContact O-N 3.08Å
72	R	49.4	Very low	58.4	Low	246 Å²	246	139 Å²	139	93%	0.928	73%	0.733	S	S	*	*			trans	-9.3	100.1	-175.7	-84.8	-177	175	176.7	-2.1	112.9	K74	R72-K74 PolarHBondContact O-N 3.23Å
73	T	47.5	Very low	59.6	Low	100 Å²	100	138 Å²	138	61%	0.613	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-50.3	117.5	159.2	29.4	0	0	0	0	106.7	G71 Q75	G71-T73 PolarHBondContact O-N 3.28Å; G71-T73 VanDerWaalsContact O-N 3.08Å; T73-Q75 PolarHBondContact O-N 3.23Å
74	K	48.7	Very low	60.7	Low	201 Å²	201	134.8 Å²	134.8	87%	0.874	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-50.3	117.9	165.2	-90.7	-179	173.3	179.8	0	104.8	R72 S76	R72-K74 PolarHBondContact O-N 3.23Å; K74-S76 PolarHBondContact O-N 3.31Å
75	Q	53.2	Low	61.8	Low	179 Å²	179	131.6 Å²	131.6	84%	0.836	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-46.6	124	166	-76.2	175.8	-29.2	0	0	105.7	T73 L77	T73-Q75 PolarHBondContact O-N 3.23Å; Q75-L77 PolarHBondContact O-N 3.32Å
76	S	51.8	Low	63.5	Low	107 Å²	107	128.1 Å²	128.1	75%	0.748	69%	0.689	S	S	*	*			trans	-47.7	113.8	166.9	45.8	0	0	0	0	104.9	K74 V78	K74-S76 PolarHBondContact O-N 3.31Å; S76-V78 PolarHBondContact O-N 3.47Å
77	L	55.6	Low	65.2	Low	166 Å²	166	126.6 Å²	126.6	87%	0.869	68%	0.682	S	S	*	*			trans	-51.1	114.8	179.8	-71.4	163.8	0	0	0	104.9	Q75 S79	Q75-L77 PolarHBondContact O-N 3.32Å; L77-S79 PolarHBondContact O-N 3.31Å
78	V	63.6	Low	66.9	Low	138 Å²	138	123.4 Å²	123.4	84%	0.836	66%	0.661	S	S	*	*			trans	-56.5	104.9	169.4	179.8	0	0	0	0	103.2	S76 E80	S76-V78 PolarHBondContact O-N 3.47Å; V78-E80 PolarHBondContact O-N 2.91Å
79	S	66.8	Low	68.6	Low	105 Å²	105	121.6 Å²	121.6	73%	0.734	65%	0.649	S	S	*	*			trans	-59.4	117.6	-177	54.5	0	0	0	0	105.6	L77 F81	L77-S79 PolarHBondContact O-N 3.31Å; S79-F81 PolarHBondContact O-N 3.21Å
80	E	76.3	Confident	70.3	Confident	171 Å²	171	122.2 Å²	122.2	80%	0.799	65%	0.648	S	S	*	*			trans	-50.7	131.8	175	-70.8	-179	169.4	0	0	107.7	V78 I82	V78-E80 PolarHBondContact O-N 2.91Å; E80-I82 WeakPolarHBondContact O-CG1 3.5Å; E80-I82 PolarHBondContact O-N 3.44Å
81	F	83.4	Confident	72.4	Confident	183 Å²	183	117.4 Å²	117.4	80%	0.803	63%	0.63	S	S	*	*			trans	-62.3	107.4	173.2	170.5	-97.7	0	0	0	107.6	S79 P83	S79-F81 PolarHBondContact O-N 3.21Å; F81-P83 HydrophobicContact CD1-CG 4.41Å; F81-P83 HydrophobicContact CE1-CB 4.42Å; F81-P83 HydrophobicContact CE1-CG 4Å; F81-P83 WeakPolarHBondContact O-CD 3.5Å
82	I	84	Confident	74.6	Confident	94 Å²	94	115.4 Å²	115.4	48%	0.482	60%	0.603	S	S	.	*			trans	-95.5	114.4	175.4	-61	164	0	0	0	106.3	E80 V86 A87	E80-I82 WeakPolarHBondContact O-CG1 3.5Å; E80-I82 PolarHBondContact O-N 3.44Å; I82-V86 HydrophobicContact CG2-CB 3.63Å; I82-V86 HydrophobicContact CG2-CG1 3.68Å; I82-A87 HydrophobicContact CB-CB 4.37Å; I82-A87 HydrophobicContact CG2-CB 3.75Å
83	P	87.2	Confident	76.8	Confident	43 Å²	43	103.7 Å²	103.7	28%	0.279	56%	0.558	S	S	.	*			trans	-54.2	147.7	175.4	-25.3	34	0	0	0	111.5	F81 H85 V86 A87	F81-P83 HydrophobicContact CD1-CG 4.41Å; F81-P83 HydrophobicContact CE1-CB 4.42Å; F81-P83 HydrophobicContact CE1-CG 4Å; F81-P83 WeakPolarHBondContact O-CD 3.5Å; P83-H85 VanDerWaalsContact C-N 3.26Å; P83-H85 WeakPolarHBondContact CB-CE1 3.49Å; P83-H85 WeakPolarHBondContact CB-ND1 3.13Å; P83-H85 PolarHBondContact O-N 3.37Å; P83-H85 VanDerWaalsContact O-N 3.16Å; P83-V86 HydrophobicContact CB-CG2 4.35Å; P83-V86 HydrophobicContact CG-CG2 4.44Å; P83-V86 WeakPolarHBondContact O-CA 3.37Å; P83-V86 WeakPolarHBondContact O-CB 3.37Å; P83-V86 PolarHBondContact O-N 3.45Å; P83-A87 PolarHBondContact O-N 2.88Å
84	A	83.5	Confident	79.2	Confident	65 Å²	65	102.5 Å²	102.5	54%	0.537	54%	0.543	S	S	.	.	H	α-helix	trans	-52.1	-42.1	-177	0	0	0	0	0	113.2	V86 A87 L88	A84-V86 PolarHBondContact O-N 3.47Å; A84-A87 PolarHBondContact O-N 3.41Å; A84-L88 HydrophobicContact CB-CD1 4.44Å; A84-L88 VanDerWaalsContact O-CB 3.26Å; A84-L88 WeakPolarHBondContact O-CB 3.33Å; A84-L88 WeakPolarHBondContact O-CG 3.21Å; A84-L88 PolarHBondContact O-N 3.37Å
85	H	84.3	Confident	81.5	Confident	101 Å²	101	93 Å²	93	47%	0.468	50%	0.501	S	S	.	.	H	α-helix	trans	-61.6	-27.7	178	70.5	-89.4	0	0	0	113.3	P83 H89 E123	P83-H85 VanDerWaalsContact C-N 3.26Å; P83-H85 WeakPolarHBondContact CB-CE1 3.49Å; P83-H85 WeakPolarHBondContact CB-ND1 3.13Å; P83-H85 PolarHBondContact O-N 3.37Å; P83-H85 VanDerWaalsContact O-N 3.16Å; H85-H89 WeakPolarHBondContact O-CB 3.25Å; H85-H89 PolarHBondContact O-N 3.07Å; H85-E123 HydrophobicContact CB-CG 3.87Å
86	V	87.3	Confident	83.6	Confident	81 Å²	81	87.2 Å²	87.2	49%	0.491	47%	0.472	S	S	.	.	H	α-helix	trans	-85.5	-44.1	175.4	-175.2	0	0	0	0	110.8	I82 P83 A84 L88 H89	I82-V86 HydrophobicContact CG2-CB 3.63Å; I82-V86 HydrophobicContact CG2-CG1 3.68Å; P83-V86 HydrophobicContact CB-CG2 4.35Å; P83-V86 HydrophobicContact CG-CG2 4.44Å; P83-V86 WeakPolarHBondContact O-CA 3.37Å; P83-V86 WeakPolarHBondContact O-CB 3.37Å; P83-V86 PolarHBondContact O-N 3.45Å; A84-V86 PolarHBondContact O-N 3.47Å; V86-L88 VanDerWaalsContact C-N 3.27Å; V86-L88 PolarHBondContact O-N 2.92Å; V86-H89 WeakPolarHBondContact O-CB 3.43Å; V86-H89 PolarHBondContact O-N 3.37Å
87	A	87.4	Confident	85.7	Confident	43 Å²	43	82.1 Å²	82.1	36%	0.355	44%	0.437	S	S	.	.	H	α-helix	trans	-66.9	-29.4	-178.2	0	0	0	0	0	113.2	I82 P83 A84 K91	I82-A87 HydrophobicContact CB-CB 4.37Å; I82-A87 HydrophobicContact CG2-CB 3.75Å; P83-A87 PolarHBondContact O-N 2.88Å; A84-A87 PolarHBondContact O-N 3.41Å; A87-K91 PolarHBondContact O-NZ 3.11Å
88	L	88.6	Confident	87.6	Confident	44 Å²	44	76.1 Å²	76.1	23%	0.23	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	8.1	-176.7	-56.4	173	0	0	0	112.6	A84 V86 N90 K91 L122	A84-L88 HydrophobicContact CB-CD1 4.44Å; A84-L88 VanDerWaalsContact O-CB 3.26Å; A84-L88 WeakPolarHBondContact O-CB 3.33Å; A84-L88 WeakPolarHBondContact O-CG 3.21Å; A84-L88 PolarHBondContact O-N 3.37Å; V86-L88 VanDerWaalsContact C-N 3.27Å; V86-L88 PolarHBondContact O-N 2.92Å; L88-N90 PolarHBondContact O-N 3.23Å; L88-K91 HydrophobicContact CD2-CD 4.01Å; L88-K91 WeakPolarHBondContact O-CB 3.29Å; L88-K91 PolarHBondContact O-N 3.19Å; L88-L122 HydrophobicContact CB-CB 3.98Å; L88-L122 HydrophobicContact CD1-CB 4.2Å; L88-L122 VanDerWaalsContact CD1-O 3.29Å; L88-L122 WeakPolarHBondContact CD1-O 3.31Å; L88-L122 HydrophobicContact CG-CB 4.45Å
89	H	89.4	Confident	89.2	Confident	104 Å²	104	70 Å²	70	48%	0.481	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	132.6	176.5	-178.4	-113.5	0	0	0	111.1	H85 V86 K91	H85-H89 WeakPolarHBondContact O-CB 3.25Å; H85-H89 PolarHBondContact O-N 3.07Å; V86-H89 WeakPolarHBondContact O-CB 3.43Å; V86-H89 PolarHBondContact O-N 3.37Å; H89-K91 PolarHBondContact O-N 2.92Å
90	N	89.1	Confident	90.4	Very high	127 Å²	127	70.5 Å²	70.5	68%	0.679	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	7.3	-175.9	-66.7	-25.2	0	0	0	116.4	L88 V92	L88-N90 PolarHBondContact O-N 3.23Å; N90-V92 PolarHBondContact O-N 3.42Å
91	K	92.9	Very high	91.2	Very high	89 Å²	89	65.2 Å²	65.2	39%	0.387	33%	0.329	S	S	.	.			trans	-84.9	113.8	170.6	-62.6	-174.5	-175.9	159.2	0	108.9	A87 L88 H89 L122 F185	A87-K91 PolarHBondContact O-NZ 3.11Å; L88-K91 HydrophobicContact CD2-CD 4.01Å; L88-K91 WeakPolarHBondContact O-CB 3.29Å; L88-K91 PolarHBondContact O-N 3.19Å; H89-K91 PolarHBondContact O-N 2.92Å; K91-L122 HydrophobicContact CB-CB 4.4Å; K91-L122 HydrophobicContact CB-CD1 3.86Å; K91-L122 WeakPolarHBondContact O-CB 3.46Å; K91-L122 PolarHBondContact O-N 3.48Å; K91-L122 VanDerWaalsContact O-N 3.11Å; K91-F185 HydrophobicContact CB-CE1 4.42Å; K91-F185 HydrophobicContact CB-CZ 4.02Å; K91-F185 HydrophobicContact CD-CZ 4.4Å; K91-F185 HydrophobicContact CG-CZ 4.22Å
92	V	96	Very high	91.6	Very high	37 Å²	37	62.1 Å²	62.1	22%	0.224	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	125.7	-175.8	-174.2	0	0	0	0	108.6	N90 L119 Y120 F121 F185	N90-V92 PolarHBondContact O-N 3.42Å; V92-L119 HydrophobicContact CG1-CB 3.95Å; V92-L119 HydrophobicContact CG1-CD2 4.09Å; V92-Y120 CarbonylContact C-O 3.51Å; V92-Y120 WeakPolarHBondContact CA-O 3.42Å; V92-Y120 WeakPolarHBondContact CG1-O 3.48Å; V92-F121 HydrophobicContact CG1-CD1 4.23Å; V92-F121 HydrophobicContact CG1-CE1 4.22Å; V92-F121 HydrophobicContact CG1-CG 4.49Å; V92-F121 HydrophobicContact CG1-CZ 4.48Å; V92-F121 HydrophobicContact CG2-CD1 3.51Å; V92-F121 HydrophobicContact CG2-CE1 3.72Å; V92-F121 HydrophobicContact CG2-CG 4.35Å; V92-F185 WeakPolarHBondContact O-CD1 3.45Å; V92-F185 WeakPolarHBondContact O-CE1 3.43Å
93	L	96.7	Very high	92	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	131.3	170.3	-52.7	-179.5	0	0	0	108.8	F95 L119 Y120 L122 W161 F185 T186 F189	L93-F95 HydrophobicContact CB-CE2 3.81Å; L93-F95 HydrophobicContact CB-CZ 4.47Å; L93-F95 HydrophobicContact CD1-CE2 4.49Å; L93-L119 CarbonylContact O-C 3.52Å; L93-L119 WeakPolarHBondContact O-CA 3.18Å; L93-Y120 HydrophobicContact CD1-CD1 4.43Å; L93-Y120 PolarHBondContact N-O 3.44Å; L93-Y120 PolarHBondContact O-N 3.14Å; L93-L122 HydrophobicContact CD1-CD2 3.98Å; L93-L122 HydrophobicContact CD1-CG 4.45Å; L93-L122 HydrophobicContact CD2-CD1 4.01Å; L93-L122 HydrophobicContact CG-CD1 4.13Å; L93-L122 HydrophobicContact CG-CD2 4.16Å; L93-L122 HydrophobicContact CG-CG 4.08Å; L93-W161 HydrophobicContact CD1-CB 3.68Å; L93-F185 HydrophobicContact CD2-CD1 4.44Å; L93-F185 HydrophobicContact CD2-CE1 4.01Å; L93-T186 WeakPolarHBondContact CA-OG1 3.44Å; L93-T186 HydrophobicContact CB-CG2 3.79Å; L93-T186 HydrophobicContact CD2-CG2 4.07Å; L93-T186 HydrophobicContact CG-CG2 4.37Å; L93-F189 HydrophobicContact CD1-CD1 3.92Å; L93-F189 HydrophobicContact CD1-CE1 3.98Å; L93-F189 HydrophobicContact CD2-CB 3.92Å; L93-F189 HydrophobicContact CD2-CD1 3.43Å; L93-F189 VanDerWaalsContact CD2-CD1 3.43Å; L93-F189 HydrophobicContact CD2-CE1 4.1Å; L93-F189 HydrophobicContact CD2-CG 3.75Å; L93-F189 HydrophobicContact CG-CD1 4.25Å
94	R	97.2	Very high	92.1	Very high	75 Å²	75	63.7 Å²	63.7	28%	0.283	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	116.8	-176.9	178.6	168.7	69.8	150.7	2.7	109.5	Y96 L119 C182 D183 T186	R94-Y96 PolarHBondContact NE-OH 3.17Å; R94-Y96 PolarHBondContact NH1-OH 3.5Å; R94-Y96 PolarHBondContact NH2-OH 2.98Å; R94-Y96 VanDerWaalsContact NH2-OH 3.13Å; R94-L119 HydrophobicContact CB-CD2 3.74Å; R94-L119 HydrophobicContact CG-CD2 3.67Å; R94-C182 WeakPolarHBondContact O-CA 3.44Å; R94-D183 HydrophobicContact CB-CB 4.08Å; R94-D183 HydrophobicContact CG-CB 4.46Å; R94-D183 IonicContact CZ-OD2 2.73Å; R94-D183 VanDerWaalsContact CZ-OD2 3.28Å; R94-D183 IonicContact NE-OD2 2.83Å; R94-D183 PolarHBondContact NE-OD2 3.43Å; R94-D183 VanDerWaalsContact NE-OD2 3.11Å; R94-D183 IonicContact NH2-OD1 2.68Å; R94-D183 IonicContact NH2-OD2 3.61Å; R94-D183 PolarHBondContact NH2-OD2 3.41Å; R94-D183 PolarHBondContact O-N 3.41Å; R94-T186 PolarHBondContact N-OG1 3.29Å; R94-T186 PolarHBondContact O-OG1 2.85Å
95	F	97.3	Very high	92.2	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	147.2	174.7	-60.9	-88.7	0	0	0	110.2	L93 Q117 I118 L164 L166 I179 C182 T186 L190	L93-F95 HydrophobicContact CB-CE2 3.81Å; L93-F95 HydrophobicContact CB-CZ 4.47Å; L93-F95 HydrophobicContact CD1-CE2 4.49Å; F95-Q117 CarbonylContact O-C 3.53Å; F95-Q117 WeakPolarHBondContact O-CA 3.43Å; F95-I118 HydrophobicContact CB-CB 4.23Å; F95-I118 PolarHBondContact N-O 2.9Å; F95-I118 PolarHBondContact O-N 3.24Å; F95-L164 HydrophobicContact CD2-CD1 4.19Å; F95-L164 HydrophobicContact CE1-CB 4.22Å; F95-L164 HydrophobicContact CE2-CB 3.86Å; F95-L164 HydrophobicContact CE2-CD1 3.69Å; F95-L164 HydrophobicContact CE2-CG 4.43Å; F95-L164 HydrophobicContact CZ-CB 3.65Å; F95-L164 HydrophobicContact CZ-CD1 4.35Å; F95-L166 HydrophobicContact CD1-CD2 4.31Å; F95-I179 HydrophobicContact CB-CG2 4.01Å; F95-I179 HydrophobicContact CD1-CG2 3.8Å; F95-I179 HydrophobicContact CG-CG2 4.27Å; F95-C182 HydrophobicContact CD1-CB 3.66Å; F95-C182 HydrophobicContact CE1-CB 4.01Å; F95-C182 HydrophobicContact CG-CB 4.45Å; F95-T186 HydrophobicContact CD1-CG2 4.28Å; F95-T186 HydrophobicContact CD2-CG2 4.45Å; F95-T186 HydrophobicContact CE1-CG2 3.68Å; F95-T186 HydrophobicContact CE2-CG2 3.88Å; F95-T186 HydrophobicContact CZ-CG2 3.46Å; F95-T186 VanDerWaalsContact CZ-CG2 3.46Å; F95-L190 HydrophobicContact CE1-CD1 4.02Å; F95-L190 HydrophobicContact CZ-CD1 4.01Å
96	Y	97.3	Very high	92.2	Very high	58 Å²	58	66.9 Å²	66.9	23%	0.227	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	141.3	171.2	-58.6	-81	0	0	0	108.5	R94 Q117 T180 N181	R94-Y96 PolarHBondContact NE-OH 3.17Å; R94-Y96 PolarHBondContact NH1-OH 3.5Å; R94-Y96 PolarHBondContact NH2-OH 2.98Å; R94-Y96 VanDerWaalsContact NH2-OH 3.13Å; Y96-Q117 HydrophobicContact CD1-CG 4.01Å; Y96-Q117 HydrophobicContact CE1-CG 4.1Å; Y96-T180 PolarHBondContact O-N 3.34Å; Y96-T180 PolarHBondContact O-OG1 3.49Å; Y96-N181 HydrophobicContact CD2-CB 4.19Å; Y96-N181 PolarHBondContact N-O 3.12Å; Y96-N181 PolarHBondContact O-N 3.1Å
97	G	96.2	Very high	92	Very high	1 Å²	1	72.8 Å²	72.8	1%	0.01	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	-175	179.1	0	0	0	0	0	112.2	L115 V116 R178	G97-L115 CarbonylContact O-C 3.53Å; G97-L115 WeakPolarHBondContact O-CA 3.37Å; G97-V116 PolarHBondContact N-O 3.35Å; G97-V116 WeakPolarHBondContact O-CG2 3.27Å; G97-V116 PolarHBondContact O-N 3.3Å; G97-R178 CarbonylContact C-O 3.48Å; G97-R178 WeakPolarHBondContact CA-O 3.34Å
98	Y	96	Very high	91.6	Very high	39 Å²	39	72.9 Å²	72.9	15%	0.153	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	163.6	174.2	72	-86.1	0	0	0	110.9	K100 V113 R114 R178 T180 P204	Y98-K100 HydrophobicContact CD2-CG 4.21Å; Y98-K100 HydrophobicContact CE2-CD 4.46Å; Y98-K100 HydrophobicContact CE2-CG 3.97Å; Y98-V113 HydrophobicContact CD2-CG1 3.87Å; Y98-V113 HydrophobicContact CG-CG1 4.05Å; Y98-R114 CarbonylContact C-O 3.53Å; Y98-R114 WeakPolarHBondContact CA-O 3.48Å; Y98-R178 HydrophobicContact CD1-CB 4.12Å; Y98-R178 HydrophobicContact CD1-CG 4.46Å; Y98-R178 HydrophobicContact CE1-CB 3.7Å; Y98-R178 HydrophobicContact CE1-CG 3.7Å; Y98-R178 HydrophobicContact CE2-CB 4.41Å; Y98-R178 PolarHBondContact N-O 3.47Å; Y98-R178 PolarHBondContact O-N 3.31Å; Y98-T180 HydrophobicContact CD1-CG2 3.55Å; Y98-T180 HydrophobicContact CE1-CG2 3.56Å; Y98-P204 HydrophobicContact CD1-CG 4.16Å; Y98-P204 HydrophobicContact CD2-CG 3.72Å; Y98-P204 HydrophobicContact CE1-CG 3.86Å; Y98-P204 HydrophobicContact CE2-CG 3.4Å; Y98-P204 HydrophobicContact CG-CG 4.1Å; Y98-P204 VanDerWaalsContact CZ-CD 3.42Å; Y98-P204 VanDerWaalsContact CZ-CG 3.45Å
99	F	95.3	Very high	91.4	Very high	11 Å²	11	71.4 Å²	71.4	5%	0.048	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	155	159.8	71.3	-78.9	0	0	0	109.4	E101 R114 V116 E131 L144 V176 Y177	F99-E101 HydrophobicContact CE2-CB 4.26Å; F99-R114 HydrophobicContact CD1-CB 3.96Å; F99-R114 HydrophobicContact CE1-CB 3.46Å; F99-R114 VanDerWaalsContact CE1-CB 3.46Å; F99-R114 HydrophobicContact CE1-CG 4.41Å; F99-R114 HydrophobicContact CE2-CB 4.32Å; F99-R114 HydrophobicContact CZ-CB 3.69Å; F99-R114 VanDerWaalsContact CZ-CD 3.49Å; F99-R114 HydrophobicContact CZ-CG 4.15Å; F99-R114 PolarHBondContact N-O 2.92Å; F99-R114 PolarHBondContact O-N 3.28Å; F99-V116 HydrophobicContact CD1-CG1 3.91Å; F99-V116 HydrophobicContact CE1-CG1 3.91Å; F99-E131 WeakPolarHBondContact CE1-OE1 3.12Å; F99-L144 HydrophobicContact CE1-CD1 3.81Å; F99-L144 HydrophobicContact CZ-CD1 4.39Å; F99-V176 VanDerWaalsContact CB-O 3.3Å; F99-V176 WeakPolarHBondContact CB-O 3.12Å; F99-Y177 HydrophobicContact CB-CD1 4.04Å; F99-Y177 HydrophobicContact CB-CE1 4.4Å; F99-Y177 AromaticContact CD1-CD1 3.71Å; F99-Y177 HydrophobicContact CD1-CD1 3.71Å; F99-Y177 AromaticContact CD1-CE1 3.45Å; F99-Y177 HydrophobicContact CD1-CE1 3.45Å; F99-Y177 VanDerWaalsContact CD1-CE1 3.45Å; F99-Y177 AromaticContact CE1-CE1 3.92Å; F99-Y177 HydrophobicContact CE1-CE1 3.92Å; F99-Y177 HydrophobicContact CG-CD1 4.18Å; F99-Y177 HydrophobicContact CG-CE1 4.07Å
100	K	93.6	Very high	91.5	Very high	114 Å²	114	74 Å²	74	50%	0.496	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	133.6	176.4	-65.6	-175.7	-179.8	-177.7	0	109.2	Y98 Y111 R112 V113	Y98-K100 HydrophobicContact CD2-CG 4.21Å; Y98-K100 HydrophobicContact CE2-CD 4.46Å; Y98-K100 HydrophobicContact CE2-CG 3.97Å; K100-Y111 HydrophobicContact CD-CD2 4.36Å; K100-R112 WeakPolarHBondContact CA-O 3.27Å; K100-V113 HydrophobicContact CG-CG2 4.42Å
101	E	92.2	Very high	91.6	Very high	60 Å²	60	72.1 Å²	72.1	28%	0.28	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.9	175.2	-175.2	173.1	-163.1	0	0	108.2	F99 Y111 R112 R114	F99-E101 HydrophobicContact CE2-CB 4.26Å; E101-Y111 CarbonylContact O-C 3.48Å; E101-Y111 VanDerWaalsContact O-CA 3.31Å; E101-Y111 WeakPolarHBondContact O-CA 3.45Å; E101-R112 HydrophobicContact CB-CG 3.92Å; E101-R112 PolarHBondContact N-O 2.91Å; E101-R112 PolarHBondContact O-N 2.89Å; E101-R114 WeakPolarHBondContact OE2-CD 3.46Å; E101-R114 IonicContact OE2-CZ 3.49Å; E101-R114 IonicContact OE2-NE 3.48Å; E101-R114 IonicContact OE2-NH1 3.5Å; E101-R114 PolarHBondContact OE2-NH1 2.98Å
102	T	92.7	Very high	91.5	Very high	119 Å²	119	70.7 Å²	70.7	73%	0.73	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	130.4	177.5	50	0	0	0	0	109.9
103	V	90.8	Very high	91.4	Very high	27 Å²	27	69.1 Å²	69.1	16%	0.164	33%	0.33	C	S	.	.			trans	-109.9	121.7	-179.5	-176.4	0	0	0	0	108.4	E109 H110 R112	V103-E109 HydrophobicContact CB-CG 4.44Å; V103-E109 HydrophobicContact CG1-CG 4.38Å; V103-E109 HydrophobicContact CG2-CG 4.46Å; V103-H110 PolarHBondContact N-O 3.1Å; V103-R112 HydrophobicContact CG2-CB 4.28Å; V103-R112 HydrophobicContact CG2-CG 3.88Å; V103-R112 VanDerWaalsContact CG2-NE 3.32Å
104	I	90	Very high	91.2	Very high	142 Å²	142	70.5 Å²	70.5	73%	0.728	34%	0.335	S	S	*	.	S	Bend	trans	-93.4	143.5	178	-57.3	170.8	0	0	0	107.8	S106	I104-S106 PolarHBondContact O-N 3.07Å
105	E	85.5	Confident	91.1	Very high	193 Å²	193	69 Å²	69	90%	0.902	33%	0.332	S	S	*	.	S	Bend	trans	63.1	24.8	171.5	-72.4	170.5	-162.8	0	0	117.5
106	S	83.9	Confident	91	Very high	40 Å²	40	69.2 Å²	69.2	28%	0.28	33%	0.333	S	S	.	.			trans	-95.5	135.8	169.2	174.9	0	0	0	0	111.6	I104 V108 E109	I104-S106 PolarHBondContact O-N 3.07Å; S106-V108 PolarHBondContact O-N 2.86Å; S106-V108 PolarHBondContact OG-N 3.13Å; S106-E109 VanDerWaalsContact CB-O 3.31Å; S106-E109 WeakPolarHBondContact CB-O 3.28Å; S106-E109 PolarHBondContact OG-N 2.94Å
107	Q	82.9	Confident	91	Very high	205 Å²	205	68.3 Å²	68.3	96%	0.958	33%	0.331	S	S	*	.	S	Bend	trans	-73.7	-16	172.7	-66.1	-179.4	-9.1	0	0	112.7
108	V	79.9	Confident	91	Very high	46 Å²	46	68.3 Å²	68.3	28%	0.279	33%	0.331	S	S	.	.	S	Bend	trans	-106.8	-33.9	-168.7	-173	0	0	0	0	112.2	S106 Y208 E211	S106-V108 PolarHBondContact O-N 2.86Å; S106-V108 PolarHBondContact OG-N 3.13Å; V108-Y208 HydrophobicContact CB-CD2 4.45Å; V108-Y208 HydrophobicContact CG1-CD2 3.75Å; V108-Y208 HydrophobicContact CG1-CE2 4.44Å; V108-E211 WeakPolarHBondContact CG1-OE2 3.44Å
109	E	85.1	Confident	91.1	Very high	13 Å²	13	67.7 Å²	67.7	6%	0.061	33%	0.33	C	S	.	.			trans	-143.5	146.1	-175	58.6	173.7	-168.8	0	0	112.1	V103 S106 R112 P207 Y208	V103-E109 HydrophobicContact CB-CG 4.44Å; V103-E109 HydrophobicContact CG1-CG 4.38Å; V103-E109 HydrophobicContact CG2-CG 4.46Å; S106-E109 VanDerWaalsContact CB-O 3.31Å; S106-E109 WeakPolarHBondContact CB-O 3.28Å; S106-E109 PolarHBondContact OG-N 2.94Å; E109-R112 IonicContact OE1-CZ 3.09Å; E109-R112 VanDerWaalsContact OE1-CZ 3.27Å; E109-R112 IonicContact OE1-NE 2.76Å; E109-R112 PolarHBondContact OE1-NE 3.19Å; E109-R112 IonicContact OE1-NH2 2.9Å; E109-R112 PolarHBondContact OE1-NH2 2.68Å; E109-P207 HydrophobicContact CB-CG 4.12Å; E109-Y208 WeakPolarHBondContact OE2-CB 3.42Å
110	H	90	Very high	91.1	Very high	157 Å²	157	67.1 Å²	67.1	73%	0.727	33%	0.328	S	S	*	.	S	Bend	trans	-101.5	-21.8	172.6	-61.3	-53.3	0	0	0	112.7	V103	V103-H110 PolarHBondContact N-O 3.1Å
111	Y	92	Very high	91.2	Very high	89 Å²	89	63.1 Å²	63.1	35%	0.349	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	154.3	174.6	69.3	-85.8	0	0	0	107.9	K100 E101 V113 P207	K100-Y111 HydrophobicContact CD-CD2 4.36Å; E101-Y111 CarbonylContact O-C 3.48Å; E101-Y111 VanDerWaalsContact O-CA 3.31Å; E101-Y111 WeakPolarHBondContact O-CA 3.45Å; Y111-V113 HydrophobicContact CD2-CG2 4.22Å; Y111-V113 HydrophobicContact CE2-CG2 3.91Å; Y111-P207 HydrophobicContact CE1-CG 4.42Å; Y111-P207 HydrophobicContact CE2-CG 4.43Å; Y111-P207 WeakPolarHBondContact O-CG 3.2Å
112	R	91.5	Very high	91.3	Very high	58 Å²	58	60.7 Å²	60.7	22%	0.219	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	152.9	171.6	63	-178.9	61.6	150.1	1.6	110.7	K100 E101 V103 E109 D206	K100-R112 WeakPolarHBondContact CA-O 3.27Å; E101-R112 HydrophobicContact CB-CG 3.92Å; E101-R112 PolarHBondContact N-O 2.91Å; E101-R112 PolarHBondContact O-N 2.89Å; V103-R112 HydrophobicContact CG2-CB 4.28Å; V103-R112 HydrophobicContact CG2-CG 3.88Å; V103-R112 VanDerWaalsContact CG2-NE 3.32Å; E109-R112 IonicContact OE1-CZ 3.09Å; E109-R112 VanDerWaalsContact OE1-CZ 3.27Å; E109-R112 IonicContact OE1-NE 2.76Å; E109-R112 PolarHBondContact OE1-NE 3.19Å; E109-R112 IonicContact OE1-NH2 2.9Å; E109-R112 PolarHBondContact OE1-NH2 2.68Å; R112-D206 WeakPolarHBondContact CA-OD2 3.39Å
113	V	92.9	Very high	91.3	Very high	5 Å²	5	58 Å²	58	3%	0.03	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	115.9	179.2	179.6	0	0	0	0	108.3	Y98 K100 Y111 L115 P204 D206	Y98-V113 HydrophobicContact CD2-CG1 3.87Å; Y98-V113 HydrophobicContact CG-CG1 4.05Å; K100-V113 HydrophobicContact CG-CG2 4.42Å; Y111-V113 HydrophobicContact CD2-CG2 4.22Å; Y111-V113 HydrophobicContact CE2-CG2 3.91Å; V113-L115 HydrophobicContact CG1-CD2 4.3Å; V113-P204 HydrophobicContact CG1-CG 3.82Å; V113-P204 HydrophobicContact CG2-CB 4.27Å; V113-P204 HydrophobicContact CG2-CG 4Å; V113-D206 HydrophobicContact CB-CB 4.1Å; V113-D206 HydrophobicContact CG2-CB 4.43Å; V113-D206 PolarHBondContact N-OD2 3.46Å
114	R	93.5	Very high	91.4	Very high	28 Å²	28	59.7 Å²	59.7	11%	0.106	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	110.7	179.5	-66.9	179.5	71.5	145.3	9.4	109.7	Y98 F99 E101 E131 I139 P140	Y98-R114 CarbonylContact C-O 3.53Å; Y98-R114 WeakPolarHBondContact CA-O 3.48Å; F99-R114 HydrophobicContact CD1-CB 3.96Å; F99-R114 HydrophobicContact CE1-CB 3.46Å; F99-R114 VanDerWaalsContact CE1-CB 3.46Å; F99-R114 HydrophobicContact CE1-CG 4.41Å; F99-R114 HydrophobicContact CE2-CB 4.32Å; F99-R114 HydrophobicContact CZ-CB 3.69Å; F99-R114 VanDerWaalsContact CZ-CD 3.49Å; F99-R114 HydrophobicContact CZ-CG 4.15Å; F99-R114 PolarHBondContact N-O 2.92Å; F99-R114 PolarHBondContact O-N 3.28Å; E101-R114 WeakPolarHBondContact OE2-CD 3.46Å; E101-R114 IonicContact OE2-CZ 3.49Å; E101-R114 IonicContact OE2-NE 3.48Å; E101-R114 IonicContact OE2-NH1 3.5Å; E101-R114 PolarHBondContact OE2-NH1 2.98Å; R114-E131 IonicContact CZ-OE1 2.68Å; R114-E131 VanDerWaalsContact CZ-OE1 3.27Å; R114-E131 IonicContact CZ-OE2 3.69Å; R114-E131 IonicContact NE-OE1 3.67Å; R114-E131 PolarHBondContact NE-OE1 3.12Å; R114-E131 IonicContact NE-OE2 3.55Å; R114-E131 PolarHBondContact NE-OE2 2.86Å; R114-E131 VanDerWaalsContact NH2-CD 3.32Å; R114-E131 IonicContact NH2-OE1 3.3Å; R114-E131 PolarHBondContact NH2-OE1 3.29Å; R114-E131 IonicContact NH2-OE2 3.6Å; R114-E131 PolarHBondContact NH2-OE2 3.3Å; R114-I139 VanDerWaalsContact NH1-CG2 3.32Å; R114-P140 PolarHBondContact NH2-O 3.4Å
115	L	94.6	Very high	91.5	Very high	45 Å²	45	55.4 Å²	55.4	24%	0.236	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	139	176.3	-58.2	-178.3	0	0	0	109.8	G97 V113 E131 P132 E203	G97-L115 CarbonylContact O-C 3.53Å; G97-L115 WeakPolarHBondContact O-CA 3.37Å; V113-L115 HydrophobicContact CG1-CD2 4.3Å; L115-E131 WeakPolarHBondContact O-CG 3.33Å; L115-P132 HydrophobicContact CB-CG 4.49Å; L115-P132 VanDerWaalsContact O-CD 3.25Å; L115-P132 WeakPolarHBondContact O-CD 3.34Å; L115-E203 HydrophobicContact CD2-CB 4.33Å; L115-E203 HydrophobicContact CD2-CG 4.25Å; L115-E203 VanDerWaalsContact CD2-OE2 3.25Å; L115-E203 WeakPolarHBondContact CD2-OE2 3.4Å
116	V	95.8	Very high	92	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.018	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	152.9	-179.1	-64.2	0	0	0	0	111.2	G97 F99 I118 V129 M130 E131 L144 Y177	G97-V116 PolarHBondContact N-O 3.35Å; G97-V116 WeakPolarHBondContact O-CG2 3.27Å; G97-V116 PolarHBondContact O-N 3.3Å; F99-V116 HydrophobicContact CD1-CG1 3.91Å; F99-V116 HydrophobicContact CE1-CG1 3.91Å; V116-I118 HydrophobicContact CG2-CD1 4.48Å; V116-I118 HydrophobicContact CG2-CG1 4.34Å; V116-V129 HydrophobicContact CB-CG1 4.06Å; V116-V129 HydrophobicContact CG1-CG1 4.23Å; V116-V129 HydrophobicContact CG2-CG1 4.44Å; V116-M130 CarbonylContact C-O 3.54Å; V116-M130 WeakPolarHBondContact CA-O 3.5Å; V116-E131 HydrophobicContact CG1-CG 3.81Å; V116-L144 HydrophobicContact CG1-CD1 3.72Å; V116-Y177 HydrophobicContact CB-CD1 4.45Å; V116-Y177 HydrophobicContact CG1-CD1 4.11Å; V116-Y177 HydrophobicContact CG1-CE1 3.97Å; V116-Y177 HydrophobicContact CG2-CD1 3.71Å; V116-Y177 HydrophobicContact CG2-CE1 4.36Å
117	Q	96.8	Very high	92.5	Very high	40 Å²	40	44.4 Å²	44.4	19%	0.187	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	124.9	166.3	-64.1	-179.6	0.9	0	0	108	F95 Y96 M130	F95-Q117 CarbonylContact O-C 3.53Å; F95-Q117 WeakPolarHBondContact O-CA 3.43Å; Y96-Q117 HydrophobicContact CD1-CG 4.01Å; Y96-Q117 HydrophobicContact CE1-CG 4.1Å; Q117-M130 HydrophobicContact CB-CG 4.15Å; Q117-M130 PolarHBondContact N-O 2.87Å; Q117-M130 PolarHBondContact O-N 3.42Å
118	I	96.8	Very high	93.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	116	177.3	-59	158.8	0	0	0	106.7	F95 V116 M127 V129 L170 I179	F95-I118 HydrophobicContact CB-CB 4.23Å; F95-I118 PolarHBondContact N-O 2.9Å; F95-I118 PolarHBondContact O-N 3.24Å; V116-I118 HydrophobicContact CG2-CD1 4.48Å; V116-I118 HydrophobicContact CG2-CG1 4.34Å; I118-M127 HydrophobicContact CG2-CE 3.54Å; I118-V129 HydrophobicContact CG1-CG1 4.22Å; I118-V129 HydrophobicContact CG1-CG2 4.23Å; I118-L170 HydrophobicContact CD1-CD2 3.94Å; I118-L170 HydrophobicContact CG2-CD2 4.19Å; I118-I179 HydrophobicContact CD1-CG1 4.05Å
119	L	96.9	Very high	94	Very high	26 Å²	26	33.1 Å²	33.1	14%	0.136	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	125	179.7	-61.9	171.8	0	0	0	108.6	V92 L93 R94 F121 M127 L128 M130	V92-L119 HydrophobicContact CG1-CB 3.95Å; V92-L119 HydrophobicContact CG1-CD2 4.09Å; L93-L119 CarbonylContact O-C 3.52Å; L93-L119 WeakPolarHBondContact O-CA 3.18Å; R94-L119 HydrophobicContact CB-CD2 3.74Å; R94-L119 HydrophobicContact CG-CD2 3.67Å; L119-F121 HydrophobicContact CB-CE2 4.2Å; L119-F121 HydrophobicContact CB-CZ 4.47Å; L119-M127 CarbonylContact O-C 3.52Å; L119-M127 VanDerWaalsContact O-CA 3.24Å; L119-M127 WeakPolarHBondContact O-CA 3.4Å; L119-L128 HydrophobicContact CB-CB 4.21Å; L119-L128 HydrophobicContact CD1-CD2 3.81Å; L119-L128 HydrophobicContact CD1-CG 4.25Å; L119-L128 PolarHBondContact N-O 3.5Å; L119-L128 PolarHBondContact O-N 3.23Å; L119-M130 HydrophobicContact CD1-SD 4.03Å
120	Y	96.5	Very high	94.5	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	119	174.8	-175.6	-74.3	0	0	0	108.9	V92 L93 L122 D125 S126 M127 N160 W161 L164	V92-Y120 CarbonylContact C-O 3.51Å; V92-Y120 WeakPolarHBondContact CA-O 3.42Å; V92-Y120 WeakPolarHBondContact CG1-O 3.48Å; L93-Y120 HydrophobicContact CD1-CD1 4.43Å; L93-Y120 PolarHBondContact N-O 3.44Å; L93-Y120 PolarHBondContact O-N 3.14Å; Y120-L122 HydrophobicContact CD1-CD2 4.14Å; Y120-L122 HydrophobicContact CE1-CD2 4.04Å; Y120-D125 VanDerWaalsContact OH-CB 3.27Å; Y120-D125 WeakPolarHBondContact OH-CB 3.45Å; Y120-D125 PolarHBondContact OH-OD1 2.9Å; Y120-S126 WeakPolarHBondContact CA-O 3.41Å; Y120-M127 HydrophobicContact CD2-CE 4.37Å; Y120-M127 HydrophobicContact CD2-CG 3.44Å; Y120-M127 VanDerWaalsContact CD2-CG 3.44Å; Y120-M127 HydrophobicContact CD2-SD 3.84Å; Y120-M127 HydrophobicContact CE2-CG 4.06Å; Y120-M127 HydrophobicContact CE2-SD 4.27Å; Y120-M127 HydrophobicContact CG-CG 4.24Å; Y120-N160 WeakPolarHBondContact OH-CA 3.3Å; Y120-W161 HydrophobicContact CD1-CB 4.14Å; Y120-W161 HydrophobicContact CE1-CB 3.83Å; Y120-W161 HydrophobicContact CE1-CG 4.48Å; Y120-W161 HydrophobicContact CE2-CB 4.46Å; Y120-W161 VanDerWaalsContact CZ-N 3.29Å; Y120-W161 PolarHBondContact OH-N 2.98Å; Y120-L164 HydrophobicContact CD2-CD1 3.71Å; Y120-L164 HydrophobicContact CE2-CD1 4.5Å; Y120-L164 HydrophobicContact CG-CD1 4.2Å
121	F	96.2	Very high	94.7	Very high	30 Å²	30	28 Å²	28	13%	0.132	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	114.3	-178.7	-63	-94.5	0	0	0	109	V92 L119 E123 D124 D125 S126 L128 R147	V92-F121 HydrophobicContact CG1-CD1 4.23Å; V92-F121 HydrophobicContact CG1-CE1 4.22Å; V92-F121 HydrophobicContact CG1-CG 4.49Å; V92-F121 HydrophobicContact CG1-CZ 4.48Å; V92-F121 HydrophobicContact CG2-CD1 3.51Å; V92-F121 HydrophobicContact CG2-CE1 3.72Å; V92-F121 HydrophobicContact CG2-CG 4.35Å; L119-F121 HydrophobicContact CB-CE2 4.2Å; L119-F121 HydrophobicContact CB-CZ 4.47Å; F121-E123 PolarHBondContact O-N 3.36Å; F121-D124 WeakPolarHBondContact CB-OD1 3.31Å; F121-D125 WeakPolarHBondContact O-CA 3.34Å; F121-D125 PolarHBondContact O-N 3.45Å; F121-S126 WeakPolarHBondContact CD2-O 3.49Å; F121-S126 WeakPolarHBondContact CD2-OG 3.34Å; F121-S126 PolarHBondContact N-O 3.45Å; F121-L128 HydrophobicContact CE2-CB 3.83Å; F121-L128 HydrophobicContact CE2-CD2 4.3Å; F121-L128 HydrophobicContact CZ-CD2 4.22Å; F121-R147 HydrophobicContact CD2-CG 3.86Å; F121-R147 HydrophobicContact CE2-CB 4.38Å; F121-R147 HydrophobicContact CE2-CG 3.73Å; F121-R147 HydrophobicContact CZ-CG 4.42Å
122	L	94.1	Very high	94.8	Very high	8 Å²	8	25.8 Å²	25.8	4%	0.042	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-15.4	-178.3	-71.2	171.1	0	0	0	113.1	L88 K91 L93 Y120 W161 F189	L88-L122 HydrophobicContact CB-CB 3.98Å; L88-L122 HydrophobicContact CD1-CB 4.2Å; L88-L122 VanDerWaalsContact CD1-O 3.29Å; L88-L122 WeakPolarHBondContact CD1-O 3.31Å; L88-L122 HydrophobicContact CG-CB 4.45Å; K91-L122 HydrophobicContact CB-CB 4.4Å; K91-L122 HydrophobicContact CB-CD1 3.86Å; K91-L122 WeakPolarHBondContact O-CB 3.46Å; K91-L122 PolarHBondContact O-N 3.48Å; K91-L122 VanDerWaalsContact O-N 3.11Å; L93-L122 HydrophobicContact CD1-CD2 3.98Å; L93-L122 HydrophobicContact CD1-CG 4.45Å; L93-L122 HydrophobicContact CD2-CD1 4.01Å; L93-L122 HydrophobicContact CG-CD1 4.13Å; L93-L122 HydrophobicContact CG-CD2 4.16Å; L93-L122 HydrophobicContact CG-CG 4.08Å; Y120-L122 HydrophobicContact CD1-CD2 4.14Å; Y120-L122 HydrophobicContact CE1-CD2 4.04Å; L122-W161 HydrophobicContact CD2-CB 4.35Å; L122-W161 HydrophobicContact CD2-CG 4.24Å; L122-F189 HydrophobicContact CD1-CD1 4.36Å; L122-F189 HydrophobicContact CD1-CD2 4.08Å; L122-F189 HydrophobicContact CD1-CE1 3.93Å; L122-F189 HydrophobicContact CD1-CE2 3.62Å; L122-F189 HydrophobicContact CD1-CG 4.42Å; L122-F189 HydrophobicContact CD1-CZ 3.53Å; L122-F189 HydrophobicContact CD2-CE1 3.8Å; L122-F189 HydrophobicContact CD2-CZ 3.71Å; L122-F189 HydrophobicContact CG-CZ 4.3Å
123	E	92	Very high	94.8	Very high	62 Å²	62	28 Å²	28	29%	0.29	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-41	178.8	-177	-175.7	-177.7	0	0	112.9	H85 F121 R147	H85-E123 HydrophobicContact CB-CG 3.87Å; F121-E123 PolarHBondContact O-N 3.36Å; E123-R147 IonicContact OE2-NH2 3.76Å
124	D	92.3	Very high	94.5	Very high	63 Å²	63	30.5 Å²	30.5	34%	0.337	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-140.9	9.5	-167.2	64.6	-7.5	0	0	0	114.1	F121 S126 R147 R149	F121-D124 WeakPolarHBondContact CB-OD1 3.31Å; D124-S126 PolarHBondContact O-N 3.12Å; D124-S126 VanDerWaalsContact OD1-CB 3.24Å; D124-S126 WeakPolarHBondContact OD1-CB 3.28Å; D124-S126 PolarHBondContact OD1-N 2.91Å; D124-S126 VanDerWaalsContact OD1-N 3.12Å; D124-S126 PolarHBondContact OD1-OG 3.4Å; D124-S126 PolarHBondContact OD2-OG 3.31Å; D124-R147 VanDerWaalsContact CG-NH2 3.3Å; D124-R147 IonicContact OD1-NH2 3.39Å; D124-R147 PolarHBondContact OD1-NH2 2.87Å; D124-R147 IonicContact OD2-CZ 2.87Å; D124-R147 IonicContact OD2-NE 3.61Å; D124-R147 IonicContact OD2-NH2 3.81Å; D124-R147 PolarHBondContact OD2-NH2 3.35Å; D124-R149 WeakPolarHBondContact O-CD 3.25Å; D124-R149 WeakPolarHBondContact O-CG 3.34Å
125	D	93.1	Very high	94	Very high	53 Å²	53	36.1 Å²	36.1	28%	0.283	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	29.3	-176	-61.3	-43.5	0	0	0	113.5	Y120 F121	Y120-D125 VanDerWaalsContact OH-CB 3.27Å; Y120-D125 WeakPolarHBondContact OH-CB 3.45Å; Y120-D125 PolarHBondContact OH-OD1 2.9Å; F121-D125 WeakPolarHBondContact O-CA 3.34Å; F121-D125 PolarHBondContact O-N 3.45Å
126	S	94.6	Very high	93.5	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.007	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	153	175.1	67.3	0	0	0	0	111.8	Y120 F121 D124 R147 H148	Y120-S126 WeakPolarHBondContact CA-O 3.41Å; F121-S126 WeakPolarHBondContact CD2-O 3.49Å; F121-S126 WeakPolarHBondContact CD2-OG 3.34Å; F121-S126 PolarHBondContact N-O 3.45Å; D124-S126 PolarHBondContact O-N 3.12Å; D124-S126 VanDerWaalsContact OD1-CB 3.24Å; D124-S126 WeakPolarHBondContact OD1-CB 3.28Å; D124-S126 PolarHBondContact OD1-N 2.91Å; D124-S126 VanDerWaalsContact OD1-N 3.12Å; D124-S126 PolarHBondContact OD1-OG 3.4Å; D124-S126 PolarHBondContact OD2-OG 3.31Å; S126-R147 VanDerWaalsContact OG-CG 3.28Å; S126-R147 WeakPolarHBondContact OG-CG 3.42Å; S126-R147 PolarHBondContact OG-NE 2.88Å; S126-H148 WeakPolarHBondContact CA-O 3.47Å
127	M	95.8	Very high	92.9	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	146.2	179.5	-66.4	-179	74	0	0	111.1	I118 L119 Y120 R147 H148 I150 Y159 L164 L170 I172	I118-M127 HydrophobicContact CG2-CE 3.54Å; L119-M127 CarbonylContact O-C 3.52Å; L119-M127 VanDerWaalsContact O-CA 3.24Å; L119-M127 WeakPolarHBondContact O-CA 3.4Å; Y120-M127 HydrophobicContact CD2-CE 4.37Å; Y120-M127 HydrophobicContact CD2-CG 3.44Å; Y120-M127 VanDerWaalsContact CD2-CG 3.44Å; Y120-M127 HydrophobicContact CD2-SD 3.84Å; Y120-M127 HydrophobicContact CE2-CG 4.06Å; Y120-M127 HydrophobicContact CE2-SD 4.27Å; Y120-M127 HydrophobicContact CG-CG 4.24Å; M127-R147 WeakPolarHBondContact O-CA 3.46Å; M127-H148 PolarHBondContact N-O 3.19Å; M127-H148 PolarHBondContact O-N 2.88Å; M127-I150 HydrophobicContact CB-CD1 3.5Å; M127-I150 HydrophobicContact CB-CG1 3.95Å; M127-I150 HydrophobicContact CG-CD1 4.49Å; M127-I150 HydrophobicContact SD-CD1 4.43Å; M127-Y159 VanDerWaalsContact SD-CB 3.57Å; M127-Y159 HydrophobicContact SD-CD2 4.37Å; M127-Y159 HydrophobicContact SD-CG 4.17Å; M127-L164 HydrophobicContact CE-CD1 3.88Å; M127-L164 HydrophobicContact CE-CD2 4.08Å; M127-L170 HydrophobicContact CE-CD2 3.74Å; M127-I172 HydrophobicContact CE-CD1 4.48Å
128	L	96.1	Very high	92.3	Very high	15 Å²	15	43 Å²	43	8%	0.079	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	126.2	177.7	162.9	61.1	0	0	0	107.8	L119 F121 K143 V145 R147	L119-L128 HydrophobicContact CB-CB 4.21Å; L119-L128 HydrophobicContact CD1-CD2 3.81Å; L119-L128 HydrophobicContact CD1-CG 4.25Å; L119-L128 PolarHBondContact N-O 3.5Å; L119-L128 PolarHBondContact O-N 3.23Å; F121-L128 HydrophobicContact CE2-CB 3.83Å; F121-L128 HydrophobicContact CE2-CD2 4.3Å; F121-L128 HydrophobicContact CZ-CD2 4.22Å; L128-K143 HydrophobicContact CD1-CB 4.38Å; L128-K143 HydrophobicContact CD1-CD 4.23Å; L128-K143 HydrophobicContact CD1-CG 4.09Å; L128-V145 WeakPolarHBondContact CD1-O 2.96Å; L128-R147 HydrophobicContact CB-CB 4.27Å
129	V	96.8	Very high	91.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	124.6	173.9	-172.5	0	0	0	0	108.1	V116 I118 L144 V145 I172 Y177	V116-V129 HydrophobicContact CB-CG1 4.06Å; V116-V129 HydrophobicContact CG1-CG1 4.23Å; V116-V129 HydrophobicContact CG2-CG1 4.44Å; I118-V129 HydrophobicContact CG1-CG1 4.22Å; I118-V129 HydrophobicContact CG1-CG2 4.23Å; V129-L144 HydrophobicContact CG1-CB 4.42Å; V129-L144 HydrophobicContact CG1-CD1 4.24Å; V129-L144 PolarHBondContact O-N 2.65Å; V129-V145 HydrophobicContact CB-CB 3.95Å; V129-V145 HydrophobicContact CB-CG2 4.02Å; V129-V145 HydrophobicContact CG2-CB 4.11Å; V129-V145 HydrophobicContact CG2-CG2 4.16Å; V129-V145 PolarHBondContact N-O 3.26Å; V129-V145 PolarHBondContact O-N 3.37Å; V129-I172 HydrophobicContact CG2-CD1 3.94Å; V129-Y177 HydrophobicContact CG1-CD1 4.36Å; V129-Y177 HydrophobicContact CG1-CE1 3.92Å
130	M	96	Very high	91.6	Very high	52 Å²	52	49.3 Å²	49.3	26%	0.256	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	144.1	179.8	60.1	179	-72.3	0	0	112	V116 Q117 L119 G142	V116-M130 CarbonylContact C-O 3.54Å; V116-M130 WeakPolarHBondContact CA-O 3.5Å; Q117-M130 HydrophobicContact CB-CG 4.15Å; Q117-M130 PolarHBondContact N-O 2.87Å; Q117-M130 PolarHBondContact O-N 3.42Å; L119-M130 HydrophobicContact CD1-SD 4.03Å; M130-G142 CarbonylContact C-O 3.58Å; M130-G142 VanDerWaalsContact CA-O 3.28Å; M130-G142 WeakPolarHBondContact CA-O 3.35Å
131	E	94.8	Very high	91.3	Very high	11 Å²	11	52.3 Å²	52.3	5%	0.051	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-88.6	130.8	171.6	-70.4	178.9	174.3	0	0	110.1	F99 R114 L115 V116 G142 L144	F99-E131 WeakPolarHBondContact CE1-OE1 3.12Å; R114-E131 IonicContact CZ-OE1 2.68Å; R114-E131 VanDerWaalsContact CZ-OE1 3.27Å; R114-E131 IonicContact CZ-OE2 3.69Å; R114-E131 IonicContact NE-OE1 3.67Å; R114-E131 PolarHBondContact NE-OE1 3.12Å; R114-E131 IonicContact NE-OE2 3.55Å; R114-E131 PolarHBondContact NE-OE2 2.86Å; R114-E131 VanDerWaalsContact NH2-CD 3.32Å; R114-E131 IonicContact NH2-OE1 3.3Å; R114-E131 PolarHBondContact NH2-OE1 3.29Å; R114-E131 IonicContact NH2-OE2 3.6Å; R114-E131 PolarHBondContact NH2-OE2 3.3Å; L115-E131 WeakPolarHBondContact O-CG 3.33Å; V116-E131 HydrophobicContact CG1-CG 3.81Å; E131-G142 PolarHBondContact N-O 3.31Å; E131-G142 PolarHBondContact O-N 3.14Å; E131-L144 HydrophobicContact CG-CD1 3.67Å; E131-L144 HydrophobicContact CG-CD2 4.2Å; E131-L144 HydrophobicContact CG-CG 3.84Å; E131-L144 WeakPolarHBondContact OE1-CD1 3.32Å
132	P	93.4	Very high	91.1	Very high	41 Å²	41	52 Å²	52	27%	0.266	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-64.9	148.1	169.6	29.7	-31.8	0	0	0	110.1	L115 Q134	L115-P132 HydrophobicContact CB-CG 4.49Å; L115-P132 VanDerWaalsContact O-CD 3.25Å; L115-P132 WeakPolarHBondContact O-CD 3.34Å; P132-Q134 PolarHBondContact O-N 2.95Å
133	S	91.5	Very high	91.1	Very high	105 Å²	105	59 Å²	59	73%	0.734	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-71.4	128.3	179.5	-170.4	0	0	0	0	111.1	Q141	S133-Q141 PolarHBondContact OG-OE1 2.92Å
134	Q	87.3	Confident	91.2	Very high	58 Å²	58	58.5 Å²	58.5	27%	0.271	34%	0.344	S	S	.	.			trans	-116	124.8	174.8	-64.1	-176.9	-16.7	0	0	110.5	P132 N136 S137 Q141	P132-Q134 PolarHBondContact O-N 2.95Å; Q134-N136 PolarHBondContact O-N 3.45Å; Q134-S137 WeakPolarHBondContact O-CB 3.44Å; Q134-S137 PolarHBondContact O-N 3.15Å; Q134-Q141 PolarHBondContact O-NE2 3Å
135	N	83.7	Confident	91.3	Very high	146 Å²	146	56 Å²	56	78%	0.781	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	134.5	178.3	-71.8	-19.3	0	0	0	111.1	S137	N135-S137 PolarHBondContact O-N 2.86Å
136	N	83.5	Confident	91.4	Very high	119 Å²	119	57.7 Å²	57.7	64%	0.636	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	27.7	175.3	-56.2	-41.5	0	0	0	115	Q134 R212	Q134-N136 PolarHBondContact O-N 3.45Å; N136-R212 VanDerWaalsContact CB-CZ 3.48Å; N136-R212 PolarHBondContact ND2-NH2 2.85Å; N136-R212 PolarHBondContact O-NH1 2.96Å
137	S	82.6	Confident	91.4	Very high	31 Å²	31	62.8 Å²	62.8	22%	0.217	37%	0.365	C	S	.	.			trans	-71.8	-31	175.1	172.5	0	0	0	0	112.9	Q134 N135 I139 Q141	Q134-S137 WeakPolarHBondContact O-CB 3.44Å; Q134-S137 PolarHBondContact O-N 3.15Å; N135-S137 PolarHBondContact O-N 2.86Å; S137-I139 PolarHBondContact O-N 3.38Å; S137-Q141 PolarHBondContact OG-NE2 3.41Å
138	G	84.4	Confident	91.4	Very high	83 Å²	83	65.8 Å²	65.8	86%	0.856	38%	0.379	S	S	*	.			trans	74.5	0.9	178.8	0	0	0	0	0	115.4
139	I	88.2	Confident	91.3	Very high	43 Å²	43	70.6 Å²	70.6	22%	0.221	40%	0.396	C	S	.	.	S	Bend	trans	-109	145.8	-178.6	-54.8	166.4	0	0	0	109	R114 S137 Q141	R114-I139 VanDerWaalsContact NH1-CG2 3.32Å; S137-I139 PolarHBondContact O-N 3.38Å; I139-Q141 PolarHBondContact O-N 3.41Å
140	P	89.7	Confident	91.2	Very high	115 Å²	115	70.7 Å²	70.7	75%	0.747	40%	0.397	S	S	*	.			trans	-59.6	123.6	168.8	24.6	-34.6	0	0	0	110.6	R114	R114-P140 PolarHBondContact NH2-O 3.4Å
141	Q	90.9	Very high	91	Very high	62 Å²	62	70.8 Å²	70.8	29%	0.29	40%	0.401	S	S	.	.			trans	-117.5	170.8	-178.2	-70.5	168.1	-8.5	0	0	110.6	S133 Q134 S137 I139	S133-Q141 PolarHBondContact OG-OE1 2.92Å; Q134-Q141 PolarHBondContact O-NE2 3Å; S137-Q141 PolarHBondContact OG-NE2 3.41Å; I139-Q141 PolarHBondContact O-N 3.41Å
142	G	93	Very high	90.8	Very high	24 Å²	24	74.8 Å²	74.8	25%	0.247	42%	0.418	C	S	.	.	S	Bend	trans	114.5	-140.7	178.6	0	0	0	0	0	111.9	M130 E131 L144	M130-G142 CarbonylContact C-O 3.58Å; M130-G142 VanDerWaalsContact CA-O 3.28Å; M130-G142 WeakPolarHBondContact CA-O 3.35Å; E131-G142 PolarHBondContact N-O 3.31Å; E131-G142 PolarHBondContact O-N 3.14Å; G142-L144 PolarHBondContact O-N 3.36Å
143	K	93.8	Very high	90.5	Very high	156 Å²	156	75.4 Å²	75.4	68%	0.678	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	115.1	-175.6	-60.8	-178.9	-179.3	175.1	0	110.6	L128	L128-K143 HydrophobicContact CD1-CB 4.38Å; L128-K143 HydrophobicContact CD1-CD 4.23Å; L128-K143 HydrophobicContact CD1-CG 4.09Å
144	L	93.6	Very high	90.3	Very high	50 Å²	50	79 Å²	79	26%	0.262	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-39.5	173.2	-67.7	-178.3	0	0	0	111.9	F99 V116 V129 E131 G142 Y177	F99-L144 HydrophobicContact CE1-CD1 3.81Å; F99-L144 HydrophobicContact CZ-CD1 4.39Å; V116-L144 HydrophobicContact CG1-CD1 3.72Å; V129-L144 HydrophobicContact CG1-CB 4.42Å; V129-L144 HydrophobicContact CG1-CD1 4.24Å; V129-L144 PolarHBondContact O-N 2.65Å; E131-L144 HydrophobicContact CG-CD1 3.67Å; E131-L144 HydrophobicContact CG-CD2 4.2Å; E131-L144 HydrophobicContact CG-CG 3.84Å; E131-L144 WeakPolarHBondContact OE1-CD1 3.32Å; G142-L144 PolarHBondContact O-N 3.36Å; L144-Y177 HydrophobicContact CD1-CE1 4.07Å
145	V	94.5	Very high	90.4	Very high	11 Å²	11	83.1 Å²	83.1	7%	0.067	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	120.9	179.6	-178.8	0	0	0	0	107.8	L128 V129 I150 I172 Y173	L128-V145 WeakPolarHBondContact CD1-O 2.96Å; V129-V145 HydrophobicContact CB-CB 3.95Å; V129-V145 HydrophobicContact CB-CG2 4.02Å; V129-V145 HydrophobicContact CG2-CB 4.11Å; V129-V145 HydrophobicContact CG2-CG2 4.16Å; V129-V145 PolarHBondContact N-O 3.26Å; V129-V145 PolarHBondContact O-N 3.37Å; V145-I150 HydrophobicContact CG1-CD1 3.89Å; V145-I172 HydrophobicContact CG1-CG2 4.48Å; V145-I172 HydrophobicContact CG2-CG2 4.06Å; V145-Y173 HydrophobicContact CG1-CD2 4.16Å; V145-Y173 HydrophobicContact CG1-CE2 3.89Å; V145-Y173 HydrophobicContact CG2-CD2 4.31Å
146	C	94.3	Very high	90.4	Very high	89 Å²	89	78.1 Å²	78.1	60%	0.601	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	153.9	177.9	-68.3	0	0	0	0	111.6	H148	C146-H148 PolarHBondContact O-CD2 2.78Å; C146-H148 PolarHBondContact O-N 3.25Å; C146-H148 VanDerWaalsContact O-N 3.08Å
147	R	95.8	Very high	90.8	Very high	108 Å²	108	76.5 Å²	76.5	41%	0.408	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	111.2	177.1	179.9	-177.1	169.2	-179.5	-6.1	110.1	F121 E123 D124 S126 M127 L128	F121-R147 HydrophobicContact CD2-CG 3.86Å; F121-R147 HydrophobicContact CE2-CB 4.38Å; F121-R147 HydrophobicContact CE2-CG 3.73Å; F121-R147 HydrophobicContact CZ-CG 4.42Å; E123-R147 IonicContact OE2-NH2 3.76Å; D124-R147 VanDerWaalsContact CG-NH2 3.3Å; D124-R147 IonicContact OD1-NH2 3.39Å; D124-R147 PolarHBondContact OD1-NH2 2.87Å; D124-R147 IonicContact OD2-CZ 2.87Å; D124-R147 IonicContact OD2-NE 3.61Å; D124-R147 IonicContact OD2-NH2 3.81Å; D124-R147 PolarHBondContact OD2-NH2 3.35Å; S126-R147 VanDerWaalsContact OG-CG 3.28Å; S126-R147 WeakPolarHBondContact OG-CG 3.42Å; S126-R147 PolarHBondContact OG-NE 2.88Å; M127-R147 WeakPolarHBondContact O-CA 3.46Å; L128-R147 HydrophobicContact CB-CB 4.27Å
148	H	95.1	Very high	91.3	Very high	62 Å²	62	78.9 Å²	78.9	29%	0.287	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	172.2	167.6	71.8	80.9	0	0	0	109.5	S126 M127 C146 I150 Y173	S126-H148 WeakPolarHBondContact CA-O 3.47Å; M127-H148 PolarHBondContact N-O 3.19Å; M127-H148 PolarHBondContact O-N 2.88Å; C146-H148 PolarHBondContact O-CD2 2.78Å; C146-H148 PolarHBondContact O-N 3.25Å; C146-H148 VanDerWaalsContact O-N 3.08Å; H148-I150 PolarHBondContact O-N 3.11Å; H148-Y173 AromaticContact CE1-CE2 3.92Å; H148-Y173 AromaticContact CE1-CZ 3.68Å; H148-Y173 PolarHBondContact CE1-OH 3.24Å; H148-Y173 AromaticContact NE2-CE2 3.5Å; H148-Y173 AromaticContact NE2-CZ 3.65Å; H148-Y173 PolarHBondContact NE2-OH 3.27Å
149	R	94.4	Very high	91.8	Very high	117 Å²	117	75.9 Å²	75.9	44%	0.442	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-73.1	118.8	174.6	-61.1	179.4	68.6	-162.5	3.2	109.8	D124 F158	D124-R149 WeakPolarHBondContact O-CD 3.25Å; D124-R149 WeakPolarHBondContact O-CG 3.34Å; R149-F158 HydrophobicContact CB-CD1 3.52Å; R149-F158 HydrophobicContact CB-CE1 3.72Å; R149-F158 HydrophobicContact CB-CG 4.12Å; R149-F158 HydrophobicContact CB-CZ 4.46Å; R149-F158 VanDerWaalsContact NH2-CD2 3.34Å
150	I	94.3	Very high	92	Very high	2 Å²	2	76.5 Å²	76.5	1%	0.01	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-93.2	125.4	-173.1	-59.4	179.2	0	0	0	110	M127 V145 H148 F158 Y159 I172	M127-I150 HydrophobicContact CB-CD1 3.5Å; M127-I150 HydrophobicContact CB-CG1 3.95Å; M127-I150 HydrophobicContact CG-CD1 4.49Å; M127-I150 HydrophobicContact SD-CD1 4.43Å; V145-I150 HydrophobicContact CG1-CD1 3.89Å; H148-I150 PolarHBondContact O-N 3.11Å; I150-F158 WeakPolarHBondContact O-CA 3.06Å; I150-Y159 HydrophobicContact CB-CD2 4.14Å; I150-Y159 HydrophobicContact CG2-CD2 3.92Å; I150-Y159 HydrophobicContact CG2-CE2 4.09Å; I150-Y159 PolarHBondContact O-N 2.82Å; I150-Y159 VanDerWaalsContact O-N 3.08Å; I150-I172 HydrophobicContact CD1-CD1 3.79Å; I150-I172 HydrophobicContact CD1-CG1 4.34Å; I150-I172 HydrophobicContact CD1-CG2 3.96Å; I150-I172 HydrophobicContact CG2-CB 4.46Å; I150-I172 HydrophobicContact CG2-CG1 4.07Å; I150-I172 HydrophobicContact CG2-CG2 3.88Å
151	P	92.8	Very high	92.1	Very high	53 Å²	53	72.3 Å²	72.3	34%	0.344	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-69.8	134.4	175.6	29.2	-33.4	0	0	0	110.6	D157	P151-D157 CarbonylContact C-O 3.59Å; P151-D157 WeakPolarHBondContact CA-O 3.32Å
152	K	90.4	Very high	92.2	Very high	96 Å²	96	77.6 Å²	77.6	42%	0.417	39%	0.386	S	S	.	.	S	Bend	trans	-85.8	-35	178.6	179.1	178.8	-175.3	179.1	0	112.2	D157 Y159 D163	K152-D157 WeakPolarHBondContact CB-O 3.36Å; K152-D157 PolarHBondContact N-O 2.92Å; K152-Y159 HydrophobicContact CB-CD1 4.15Å; K152-Y159 HydrophobicContact CB-CD2 4.14Å; K152-Y159 HydrophobicContact CB-CE1 4.08Å; K152-Y159 HydrophobicContact CB-CE2 4.09Å; K152-Y159 HydrophobicContact CB-CG 4.18Å; K152-Y159 HydrophobicContact CD-CD1 4.14Å; K152-Y159 HydrophobicContact CD-CE1 4.12Å; K152-Y159 HydrophobicContact CG-CD1 4.04Å; K152-Y159 HydrophobicContact CG-CE1 3.67Å; K152-Y159 HydrophobicContact CG-CE2 4.47Å; K152-D163 IonicContact NZ-OD1 2.75Å; K152-D163 PolarHBondContact NZ-OD1 2.95Å; K152-D163 IonicContact NZ-OD2 3.48Å; K152-D163 PolarHBondContact NZ-OD2 3.04Å
153	N	87.5	Confident	92.2	Very high	54 Å²	54	79.1 Å²	79.1	29%	0.289	39%	0.389	S	S	.	.	S	Bend	trans	-142.3	169.4	-176.6	61.5	12.1	0	0	0	111.6	I155 G156 D157	N153-I155 PolarHBondContact O-N 3.22Å; N153-I155 VanDerWaalsContact O-N 3.16Å; N153-I155 PolarHBondContact OD1-N 3.24Å; N153-G156 PolarHBondContact O-N 3.07Å; N153-G156 PolarHBondContact OD1-N 3.47Å; N153-D157 PolarHBondContact ND2-OD2 3.41Å; N153-D157 WeakPolarHBondContact OD1-CB 3.46Å; N153-D157 PolarHBondContact OD1-N 2.92Å
154	D	86.9	Confident	92.2	Very high	180 Å²	180	71.7 Å²	71.7	96%	0.963	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-9.6	179.3	-59.6	-32.5	0	0	0	113.5	G156	D154-G156 VanDerWaalsContact C-N 3.32Å
155	I	87.9	Confident	92.2	Very high	145 Å²	145	70.5 Å²	70.5	74%	0.744	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-20	176.8	-60.9	159.4	0	0	0	111	N153	N153-I155 PolarHBondContact O-N 3.22Å; N153-I155 VanDerWaalsContact O-N 3.16Å; N153-I155 PolarHBondContact OD1-N 3.24Å
156	G	85.6	Confident	92.2	Very high	40 Å²	40	70.1 Å²	70.1	41%	0.412	35%	0.348	S	S	.	.			trans	97.3	13.8	-179.1	0	0	0	0	0	114.4	N153 D154	N153-G156 PolarHBondContact O-N 3.07Å; N153-G156 PolarHBondContact OD1-N 3.47Å; D154-G156 VanDerWaalsContact C-N 3.32Å
157	D	91.1	Very high	92.2	Very high	85 Å²	85	66.8 Å²	66.8	46%	0.455	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-68.1	138.6	170.3	-62	-40	0	0	0	109.3	P151 K152 N153	P151-D157 CarbonylContact C-O 3.59Å; P151-D157 WeakPolarHBondContact CA-O 3.32Å; K152-D157 WeakPolarHBondContact CB-O 3.36Å; K152-D157 PolarHBondContact N-O 2.92Å; N153-D157 PolarHBondContact ND2-OD2 3.41Å; N153-D157 WeakPolarHBondContact OD1-CB 3.46Å; N153-D157 PolarHBondContact OD1-N 2.92Å
158	F	93.6	Very high	92.1	Very high	82 Å²	82	63.6 Å²	63.6	36%	0.36	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-94.4	152.3	177.2	-62.4	-78.8	0	0	0	110.9	R149 I150 N160	R149-F158 HydrophobicContact CB-CD1 3.52Å; R149-F158 HydrophobicContact CB-CE1 3.72Å; R149-F158 HydrophobicContact CB-CG 4.12Å; R149-F158 HydrophobicContact CB-CZ 4.46Å; R149-F158 VanDerWaalsContact NH2-CD2 3.34Å; I150-F158 WeakPolarHBondContact O-CA 3.06Å; F158-N160 PolarHBondContact O-N 3.41Å
159	Y	93.8	Very high	92.1	Very high	20 Å²	20	65.5 Å²	65.5	8%	0.078	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-59.5	134	168.9	-78.4	-72.2	0	0	0	110.7	M127 I150 K152 D163 L170 A171 I172	M127-Y159 VanDerWaalsContact SD-CB 3.57Å; M127-Y159 HydrophobicContact SD-CD2 4.37Å; M127-Y159 HydrophobicContact SD-CG 4.17Å; I150-Y159 HydrophobicContact CB-CD2 4.14Å; I150-Y159 HydrophobicContact CG2-CD2 3.92Å; I150-Y159 HydrophobicContact CG2-CE2 4.09Å; I150-Y159 PolarHBondContact O-N 2.82Å; I150-Y159 VanDerWaalsContact O-N 3.08Å; K152-Y159 HydrophobicContact CB-CD1 4.15Å; K152-Y159 HydrophobicContact CB-CD2 4.14Å; K152-Y159 HydrophobicContact CB-CE1 4.08Å; K152-Y159 HydrophobicContact CB-CE2 4.09Å; K152-Y159 HydrophobicContact CB-CG 4.18Å; K152-Y159 HydrophobicContact CD-CD1 4.14Å; K152-Y159 HydrophobicContact CD-CE1 4.12Å; K152-Y159 HydrophobicContact CG-CD1 4.04Å; K152-Y159 HydrophobicContact CG-CE1 3.67Å; K152-Y159 HydrophobicContact CG-CE2 4.47Å; Y159-D163 HydrophobicContact CD1-CB 4.2Å; Y159-L170 HydrophobicContact CD1-CD1 3.6Å; Y159-L170 HydrophobicContact CD2-CD1 4.34Å; Y159-L170 HydrophobicContact CE1-CD1 3.23Å; Y159-L170 HydrophobicContact CE2-CD1 4.03Å; Y159-L170 HydrophobicContact CG-CD1 4.14Å; Y159-L170 VanDerWaalsContact CZ-CD1 3.45Å; Y159-A171 PolarHBondContact OH-N 3.21Å; Y159-A171 PolarHBondContact OH-O 3.15Å; Y159-I172 HydrophobicContact CE2-CG1 4.14Å
160	N	92.9	Very high	92.1	Very high	56 Å²	56	60 Å²	60	30%	0.299	31%	0.313	S	S	.	.			trans	-107.3	155.7	172.7	-167	-53.1	0	0	0	109.4	Y120 F158 R162 D163	Y120-N160 WeakPolarHBondContact OH-CA 3.3Å; F158-N160 PolarHBondContact O-N 3.41Å; N160-R162 PolarHBondContact O-N 2.88Å; N160-R162 VanDerWaalsContact O-N 3.1Å; N160-R162 PolarHBondContact OD1-N 3.03Å; N160-D163 PolarHBondContact N-OD2 3.18Å; N160-D163 WeakPolarHBondContact O-CB 3.36Å; N160-D163 PolarHBondContact O-N 3.18Å
161	W	92.7	Very high	92	Very high	27 Å²	27	62.6 Å²	62.6	10%	0.102	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-54.7	-27.4	172.4	60.6	-97.4	0	0	0	112.8	L93 Y120 L122 D163 L164 F189 L190 E193 V195	L93-W161 HydrophobicContact CD1-CB 3.68Å; Y120-W161 HydrophobicContact CD1-CB 4.14Å; Y120-W161 HydrophobicContact CE1-CB 3.83Å; Y120-W161 HydrophobicContact CE1-CG 4.48Å; Y120-W161 HydrophobicContact CE2-CB 4.46Å; Y120-W161 VanDerWaalsContact CZ-N 3.29Å; Y120-W161 PolarHBondContact OH-N 2.98Å; L122-W161 HydrophobicContact CD2-CB 4.35Å; L122-W161 HydrophobicContact CD2-CG 4.24Å; W161-D163 PolarHBondContact O-N 3.39Å; W161-L164 PolarHBondContact O-N 3.44Å; W161-F189 HydrophobicContact CD2-CE1 4.28Å; W161-F189 HydrophobicContact CE3-CE1 4.33Å; W161-L190 HydrophobicContact CE3-CD2 3.85Å; W161-L190 HydrophobicContact CZ3-CD2 4.31Å; W161-E193 HydrophobicContact CH2-CB 3.53Å; W161-E193 HydrophobicContact CH2-CG 4.01Å; W161-E193 HydrophobicContact CZ2-CB 4.42Å; W161-E193 HydrophobicContact CZ2-CG 4.46Å; W161-E193 HydrophobicContact CZ3-CB 3.75Å; W161-E193 HydrophobicContact CZ3-CG 4.35Å; W161-V195 HydrophobicContact CE3-CG2 4.5Å; W161-V195 HydrophobicContact CZ3-CG2 3.73Å
162	R	92.5	Very high	92.1	Very high	172 Å²	172	60.1 Å²	60.1	65%	0.649	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-66.4	-21.2	174.1	-65.2	-180	-178.1	177.4	-0.4	114.3	N160 L164	N160-R162 PolarHBondContact O-N 2.88Å; N160-R162 VanDerWaalsContact O-N 3.1Å; N160-R162 PolarHBondContact OD1-N 3.03Å; R162-L164 VanDerWaalsContact C-N 3.3Å
163	D	92.1	Very high	92.2	Very high	56 Å²	56	62.4 Å²	62.4	30%	0.299	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-84.3	-8	178.1	-65.7	-42.5	0	0	0	112.7	K152 Y159 N160 W161	K152-D163 IonicContact NZ-OD1 2.75Å; K152-D163 PolarHBondContact NZ-OD1 2.95Å; K152-D163 IonicContact NZ-OD2 3.48Å; K152-D163 PolarHBondContact NZ-OD2 3.04Å; Y159-D163 HydrophobicContact CD1-CB 4.2Å; N160-D163 PolarHBondContact N-OD2 3.18Å; N160-D163 WeakPolarHBondContact O-CB 3.36Å; N160-D163 PolarHBondContact O-N 3.18Å; W161-D163 PolarHBondContact O-N 3.39Å
164	L	93.6	Very high	92.3	Very high	1 Å²	1	64 Å²	64	1%	0.005	35%	0.354	C	S	.	.			trans	-105.3	115.4	-174.6	-54.6	178.2	0	0	0	109.7	F95 Y120 M127 W161 R162 L170 I179	F95-L164 HydrophobicContact CD2-CD1 4.19Å; F95-L164 HydrophobicContact CE1-CB 4.22Å; F95-L164 HydrophobicContact CE2-CB 3.86Å; F95-L164 HydrophobicContact CE2-CD1 3.69Å; F95-L164 HydrophobicContact CE2-CG 4.43Å; F95-L164 HydrophobicContact CZ-CB 3.65Å; F95-L164 HydrophobicContact CZ-CD1 4.35Å; Y120-L164 HydrophobicContact CD2-CD1 3.71Å; Y120-L164 HydrophobicContact CE2-CD1 4.5Å; Y120-L164 HydrophobicContact CG-CD1 4.2Å; M127-L164 HydrophobicContact CE-CD1 3.88Å; M127-L164 HydrophobicContact CE-CD2 4.08Å; W161-L164 PolarHBondContact O-N 3.44Å; R162-L164 VanDerWaalsContact C-N 3.3Å; L164-L170 HydrophobicContact CD2-CD1 3.66Å; L164-L170 HydrophobicContact CD2-CD2 4.02Å; L164-L170 HydrophobicContact CD2-CG 4.44Å; L164-I179 HydrophobicContact CB-CD1 4.33Å; L164-I179 HydrophobicContact CD2-CD1 3.99Å
165	N	94	Very high	92.6	Very high	24 Å²	24	60.2 Å²	60.2	13%	0.128	33%	0.326	C	S	.	.			trans	-144.1	164.3	172.7	-159.4	-10.8	0	0	0	109	T168 V196 V197 N198	N165-T168 HydrophobicContact CB-CG2 3.99Å; N165-T168 WeakPolarHBondContact O-CG2 3.36Å; N165-T168 PolarHBondContact O-N 2.95Å; N165-T168 PolarHBondContact O-OG1 3.08Å; N165-V196 PolarHBondContact ND2-O 3.4Å; N165-V197 WeakPolarHBondContact OD1-CA 3.46Å; N165-N198 PolarHBondContact OD1-N 2.98Å; N165-N198 VanDerWaalsContact OD1-N 3.16Å
166	L	95.5	Very high	92.9	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.021	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	141.1	176.8	-47.9	-170	0	0	0	109.7	F95 T168 I179 C182 V197 N198 P200	F95-L166 HydrophobicContact CD1-CD2 4.31Å; L166-T168 VanDerWaalsContact C-N 3.31Å; L166-T168 PolarHBondContact O-N 3.36Å; L166-I179 HydrophobicContact CD2-CG2 3.73Å; L166-C182 HydrophobicContact CD2-CB 3.87Å; L166-V197 HydrophobicContact CD1-CG1 3.91Å; L166-V197 HydrophobicContact CG-CG1 3.88Å; L166-N198 HydrophobicContact CB-CB 4.05Å; L166-N198 WeakPolarHBondContact CD1-O 3.43Å; L166-N198 WeakPolarHBondContact O-CB 3.41Å; L166-N198 PolarHBondContact O-ND2 3.31Å; L166-P200 HydrophobicContact CD1-CB 4.28Å
167	G	93.4	Very high	93.4	Very high	18 Å²	18	55.4 Å²	55.4	19%	0.186	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	10.3	-175.5	0	0	0	0	0	114.8	R178 I179	G167-R178 VanDerWaalsContact C-CZ 3.48Å; G167-R178 PolarHBondContact O-NH1 3.14Å; G167-R178 PolarHBondContact O-NH2 3.27Å; G167-I179 WeakPolarHBondContact CA-O 3.33Å; G167-I179 PolarHBondContact N-O 3.17Å
168	T	93.9	Very high	93.7	Very high	41 Å²	41	54.2 Å²	54.2	25%	0.252	28%	0.284	S	S	.	.			trans	-90.5	147.9	171.6	69.8	0	0	0	0	111.9	N165 L166 I179	N165-T168 HydrophobicContact CB-CG2 3.99Å; N165-T168 WeakPolarHBondContact O-CG2 3.36Å; N165-T168 PolarHBondContact O-N 2.95Å; N165-T168 PolarHBondContact O-OG1 3.08Å; L166-T168 VanDerWaalsContact C-N 3.31Å; L166-T168 PolarHBondContact O-N 3.36Å; T168-I179 PolarHBondContact O-N 3.33Å
169	N	95.1	Very high	93.9	Very high	102 Å²	102	50.3 Å²	50.3	55%	0.545	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	114.7	175.2	-70.8	-17.4	0	0	0	108.9	V176 R178	N169-V176 HydrophobicContact CB-CG1 3.83Å; N169-R178 WeakPolarHBondContact OD1-CD 3.44Å; N169-R178 PolarHBondContact OD1-NH1 2.98Å
170	L	93.6	Very high	94	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.016	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	109.6	-177	-171.6	68.2	0	0	0	110	I118 M127 Y159 L164 I172 V176 Y177	I118-L170 HydrophobicContact CD1-CD2 3.94Å; I118-L170 HydrophobicContact CG2-CD2 4.19Å; M127-L170 HydrophobicContact CE-CD2 3.74Å; Y159-L170 HydrophobicContact CD1-CD1 3.6Å; Y159-L170 HydrophobicContact CD2-CD1 4.34Å; Y159-L170 HydrophobicContact CE1-CD1 3.23Å; Y159-L170 HydrophobicContact CE2-CD1 4.03Å; Y159-L170 HydrophobicContact CG-CD1 4.14Å; Y159-L170 VanDerWaalsContact CZ-CD1 3.45Å; L164-L170 HydrophobicContact CD2-CD1 3.66Å; L164-L170 HydrophobicContact CD2-CD2 4.02Å; L164-L170 HydrophobicContact CD2-CG 4.44Å; L170-I172 HydrophobicContact CD2-CD1 3.44Å; L170-I172 VanDerWaalsContact CD2-CD1 3.44Å; L170-I172 HydrophobicContact CD2-CG1 4.22Å; L170-I172 HydrophobicContact CG-CD1 3.73Å; L170-I172 HydrophobicContact CG-CG1 3.93Å; L170-V176 WeakPolarHBondContact O-CA 3.48Å; L170-Y177 PolarHBondContact N-O 3.24Å; L170-Y177 PolarHBondContact O-N 2.89Å
171	A	93.6	Very high	94.2	Very high	55 Å²	55	49.9 Å²	49.9	46%	0.455	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	108.9	178.9	0	0	0	0	0	110.2	Y159 R175 V176	Y159-A171 PolarHBondContact OH-N 3.21Å; Y159-A171 PolarHBondContact OH-O 3.15Å; A171-R175 WeakPolarHBondContact CA-O 3.28Å; A171-V176 HydrophobicContact CB-CG2 4.5Å
172	I	93.5	Very high	94.3	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	121.1	179.1	-62	170.7	0	0	0	108.2	M127 V129 V145 I150 Y159 L170 G174 R175 Y177	M127-I172 HydrophobicContact CE-CD1 4.48Å; V129-I172 HydrophobicContact CG2-CD1 3.94Å; V145-I172 HydrophobicContact CG1-CG2 4.48Å; V145-I172 HydrophobicContact CG2-CG2 4.06Å; I150-I172 HydrophobicContact CD1-CD1 3.79Å; I150-I172 HydrophobicContact CD1-CG1 4.34Å; I150-I172 HydrophobicContact CD1-CG2 3.96Å; I150-I172 HydrophobicContact CG2-CB 4.46Å; I150-I172 HydrophobicContact CG2-CG1 4.07Å; I150-I172 HydrophobicContact CG2-CG2 3.88Å; Y159-I172 HydrophobicContact CE2-CG1 4.14Å; L170-I172 HydrophobicContact CD2-CD1 3.44Å; L170-I172 VanDerWaalsContact CD2-CD1 3.44Å; L170-I172 HydrophobicContact CD2-CG1 4.22Å; L170-I172 HydrophobicContact CG-CD1 3.73Å; L170-I172 HydrophobicContact CG-CG1 3.93Å; I172-G174 VanDerWaalsContact C-N 3.28Å; I172-G174 PolarHBondContact O-N 3.06Å; I172-R175 PolarHBondContact N-O 3.2Å; I172-R175 PolarHBondContact O-N 3.01Å; I172-Y177 HydrophobicContact CB-CD2 4.28Å; I172-Y177 HydrophobicContact CB-CE2 3.95Å; I172-Y177 HydrophobicContact CD1-CD2 4.37Å
173	Y	92.5	Very high	94.5	Very high	144 Å²	144	43.5 Å²	43.5	57%	0.565	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.6	46.5	174	-58.7	-46.6	0	0	0	114.3	V145 H148 R175	V145-Y173 HydrophobicContact CG1-CD2 4.16Å; V145-Y173 HydrophobicContact CG1-CE2 3.89Å; V145-Y173 HydrophobicContact CG2-CD2 4.31Å; H148-Y173 AromaticContact CE1-CE2 3.92Å; H148-Y173 AromaticContact CE1-CZ 3.68Å; H148-Y173 PolarHBondContact CE1-OH 3.24Å; H148-Y173 AromaticContact NE2-CE2 3.5Å; H148-Y173 AromaticContact NE2-CZ 3.65Å; H148-Y173 PolarHBondContact NE2-OH 3.27Å; Y173-R175 VanDerWaalsContact C-N 3.27Å; Y173-R175 PolarHBondContact O-N 2.72Å
174	G	90	Very high	94.6	Very high	86 Å²	86	48.2 Å²	48.2	89%	0.887	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	0.2	177.6	0	0	0	0	0	115.3	I172	I172-G174 VanDerWaalsContact C-N 3.28Å; I172-G174 PolarHBondContact O-N 3.06Å
175	R	93	Very high	94.7	Very high	102 Å²	102	52.1 Å²	52.1	39%	0.385	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	140.9	171.4	-65.8	-176.7	-179	178.7	-0.4	110.4	A171 I172 Y173 Y177	A171-R175 WeakPolarHBondContact CA-O 3.28Å; I172-R175 PolarHBondContact N-O 3.2Å; I172-R175 PolarHBondContact O-N 3.01Å; Y173-R175 VanDerWaalsContact C-N 3.27Å; Y173-R175 PolarHBondContact O-N 2.72Å; R175-Y177 HydrophobicContact CB-CE2 3.8Å
176	V	95.4	Very high	94.8	Very high	81 Å²	81	51 Å²	51	49%	0.491	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	114.4	177.8	-176.7	0	0	0	0	108.7	F99 N169 L170 A171	F99-V176 VanDerWaalsContact CB-O 3.3Å; F99-V176 WeakPolarHBondContact CB-O 3.12Å; N169-V176 HydrophobicContact CB-CG1 3.83Å; L170-V176 WeakPolarHBondContact O-CA 3.48Å; A171-V176 HydrophobicContact CB-CG2 4.5Å
177	Y	96.3	Very high	94.8	Very high	3 Å²	3	55.5 Å²	55.5	1%	0.012	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	126.4	177.3	-56.3	-84.6	0	0	0	109.5	F99 V116 V129 L144 L170 I172 R175	F99-Y177 HydrophobicContact CB-CD1 4.04Å; F99-Y177 HydrophobicContact CB-CE1 4.4Å; F99-Y177 AromaticContact CD1-CD1 3.71Å; F99-Y177 HydrophobicContact CD1-CD1 3.71Å; F99-Y177 AromaticContact CD1-CE1 3.45Å; F99-Y177 HydrophobicContact CD1-CE1 3.45Å; F99-Y177 VanDerWaalsContact CD1-CE1 3.45Å; F99-Y177 AromaticContact CE1-CE1 3.92Å; F99-Y177 HydrophobicContact CE1-CE1 3.92Å; F99-Y177 HydrophobicContact CG-CD1 4.18Å; F99-Y177 HydrophobicContact CG-CE1 4.07Å; V116-Y177 HydrophobicContact CB-CD1 4.45Å; V116-Y177 HydrophobicContact CG1-CD1 4.11Å; V116-Y177 HydrophobicContact CG1-CE1 3.97Å; V116-Y177 HydrophobicContact CG2-CD1 3.71Å; V116-Y177 HydrophobicContact CG2-CE1 4.36Å; V129-Y177 HydrophobicContact CG1-CD1 4.36Å; V129-Y177 HydrophobicContact CG1-CE1 3.92Å; L144-Y177 HydrophobicContact CD1-CE1 4.07Å; L170-Y177 PolarHBondContact N-O 3.24Å; L170-Y177 PolarHBondContact O-N 2.89Å; I172-Y177 HydrophobicContact CB-CD2 4.28Å; I172-Y177 HydrophobicContact CB-CE2 3.95Å; I172-Y177 HydrophobicContact CD1-CD2 4.37Å; R175-Y177 HydrophobicContact CB-CE2 3.8Å
178	R	96.7	Very high	94.9	Very high	60 Å²	60	58.4 Å²	58.4	23%	0.226	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	119.5	172.1	-179.1	70.4	172.2	-177.8	3.2	108.7	G97 Y98 G167 N169 T180 E201	G97-R178 CarbonylContact C-O 3.48Å; G97-R178 WeakPolarHBondContact CA-O 3.34Å; Y98-R178 HydrophobicContact CD1-CB 4.12Å; Y98-R178 HydrophobicContact CD1-CG 4.46Å; Y98-R178 HydrophobicContact CE1-CB 3.7Å; Y98-R178 HydrophobicContact CE1-CG 3.7Å; Y98-R178 HydrophobicContact CE2-CB 4.41Å; Y98-R178 PolarHBondContact N-O 3.47Å; Y98-R178 PolarHBondContact O-N 3.31Å; G167-R178 VanDerWaalsContact C-CZ 3.48Å; G167-R178 PolarHBondContact O-NH1 3.14Å; G167-R178 PolarHBondContact O-NH2 3.27Å; N169-R178 WeakPolarHBondContact OD1-CD 3.44Å; N169-R178 PolarHBondContact OD1-NH1 2.98Å; R178-T180 HydrophobicContact CG-CG2 4.29Å; R178-T180 PolarHBondContact O-N 3.08Å; R178-E201 IonicContact CZ-OE1 3.33Å; R178-E201 IonicContact CZ-OE2 3.41Å; R178-E201 IonicContact NE-OE1 2.71Å; R178-E201 IonicContact NE-OE2 2.86Å; R178-E201 PolarHBondContact NE-OE2 2.95Å; R178-E201 VanDerWaalsContact NH2-CD 3.32Å; R178-E201 IonicContact NH2-OE1 2.78Å; R178-E201 PolarHBondContact NH2-OE1 3.39Å; R178-E201 IonicContact NH2-OE2 3.67Å; R178-E201 PolarHBondContact NH2-OE2 3Å; R178-E201 VanDerWaalsContact NH2-OE2 3.16Å
179	I	97.1	Very high	94.9	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	119.3	172.9	-58.5	-179.5	0	0	0	108.4	F95 I118 L164 L166 G167 T168	F95-I179 HydrophobicContact CB-CG2 4.01Å; F95-I179 HydrophobicContact CD1-CG2 3.8Å; F95-I179 HydrophobicContact CG-CG2 4.27Å; I118-I179 HydrophobicContact CD1-CG1 4.05Å; L164-I179 HydrophobicContact CB-CD1 4.33Å; L164-I179 HydrophobicContact CD2-CD1 3.99Å; L166-I179 HydrophobicContact CD2-CG2 3.73Å; G167-I179 WeakPolarHBondContact CA-O 3.33Å; G167-I179 PolarHBondContact N-O 3.17Å; T168-I179 PolarHBondContact O-N 3.33Å
180	T	96.5	Very high	94.9	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	-39.3	-177.1	49.3	0	0	0	0	112.3	Y96 Y98 R178 P200 E201 E203	Y96-T180 PolarHBondContact O-N 3.34Å; Y96-T180 PolarHBondContact O-OG1 3.49Å; Y98-T180 HydrophobicContact CD1-CG2 3.55Å; Y98-T180 HydrophobicContact CE1-CG2 3.56Å; R178-T180 HydrophobicContact CG-CG2 4.29Å; R178-T180 PolarHBondContact O-N 3.08Å; T180-P200 CarbonylContact O-C 3.51Å; T180-P200 WeakPolarHBondContact O-CA 3.36Å; T180-E201 HydrophobicContact CG2-CB 4.34Å; T180-E201 PolarHBondContact O-N 3.44Å; T180-E203 HydrophobicContact CG2-CG 4.06Å
181	N	96.6	Very high	94.9	Very high	67 Å²	67	57.3 Å²	57.3	36%	0.358	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	169.1	-175.6	-155	-11.4	0	0	0	111.5	Y96 P200	Y96-N181 HydrophobicContact CD2-CB 4.19Å; Y96-N181 PolarHBondContact N-O 3.12Å; Y96-N181 PolarHBondContact O-N 3.1Å; N181-P200 HydrophobicContact CB-CB 4.4Å
182	C	95.6	Very high	94.9	Very high	12 Å²	12	58.9 Å²	58.9	8%	0.081	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	161.2	172.4	66	0	0	0	0	111.1	R94 F95 L166 T186	R94-C182 WeakPolarHBondContact O-CA 3.44Å; F95-C182 HydrophobicContact CD1-CB 3.66Å; F95-C182 HydrophobicContact CE1-CB 4.01Å; F95-C182 HydrophobicContact CG-CB 4.45Å; L166-C182 HydrophobicContact CD2-CB 3.87Å; C182-T186 HydrophobicContact CB-CG2 3.88Å
183	D	95.4	Very high	94.8	Very high	52 Å²	52	63.6 Å²	63.6	28%	0.278	33%	0.325	S	S	.	.			trans	-72.8	157.6	175.6	-165.2	5.8	0	0	0	111.7	R94 F185 T186 K187	R94-D183 HydrophobicContact CB-CB 4.08Å; R94-D183 HydrophobicContact CG-CB 4.46Å; R94-D183 IonicContact CZ-OD2 2.73Å; R94-D183 VanDerWaalsContact CZ-OD2 3.28Å; R94-D183 IonicContact NE-OD2 2.83Å; R94-D183 PolarHBondContact NE-OD2 3.43Å; R94-D183 VanDerWaalsContact NE-OD2 3.11Å; R94-D183 IonicContact NH2-OD1 2.68Å; R94-D183 IonicContact NH2-OD2 3.61Å; R94-D183 PolarHBondContact NH2-OD2 3.41Å; R94-D183 PolarHBondContact O-N 3.41Å; D183-F185 VanDerWaalsContact C-N 3.31Å; D183-F185 PolarHBondContact O-N 2.99Å; D183-T186 WeakPolarHBondContact O-CA 3.34Å; D183-T186 WeakPolarHBondContact O-CB 3.28Å; D183-T186 PolarHBondContact O-N 3.14Å; D183-K187 PolarHBondContact O-N 2.97Å
184	K	96.2	Very high	94.8	Very high	155 Å²	155	59.8 Å²	59.8	67%	0.674	33%	0.33	S	S	*	.	H	α-helix	trans	-53.3	-46.6	-179.2	-176.4	-179.6	176.6	-177.3	0	112.3	T186 K187 D188	K184-T186 PolarHBondContact O-N 3.43Å; K184-K187 PolarHBondContact O-N 2.99Å; K184-D188 PolarHBondContact O-N 3.2Å
185	F	95.2	Very high	94.8	Very high	84 Å²	84	57.2 Å²	57.2	37%	0.368	30%	0.297	S	S	.	.	H	α-helix	trans	-58	-39.1	177	170.7	-105.3	0	0	0	112.4	K91 V92 L93 D183 F189	K91-F185 HydrophobicContact CB-CE1 4.42Å; K91-F185 HydrophobicContact CB-CZ 4.02Å; K91-F185 HydrophobicContact CD-CZ 4.4Å; K91-F185 HydrophobicContact CG-CZ 4.22Å; V92-F185 WeakPolarHBondContact O-CD1 3.45Å; V92-F185 WeakPolarHBondContact O-CE1 3.43Å; L93-F185 HydrophobicContact CD2-CD1 4.44Å; L93-F185 HydrophobicContact CD2-CE1 4.01Å; D183-F185 VanDerWaalsContact C-N 3.31Å; D183-F185 PolarHBondContact O-N 2.99Å; F185-F189 VanDerWaalsContact O-CB 3.25Å; F185-F189 WeakPolarHBondContact O-CB 3.35Å; F185-F189 PolarHBondContact O-N 3.24Å
186	T	95.6	Very high	94.8	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.006	31%	0.314	C	S	.	.	H	α-helix	trans	-70.3	-41.7	-179.2	-57.3	0	0	0	0	111.1	L93 R94 F95 C182 D183 K184 F189 L190	L93-T186 WeakPolarHBondContact CA-OG1 3.44Å; L93-T186 HydrophobicContact CB-CG2 3.79Å; L93-T186 HydrophobicContact CD2-CG2 4.07Å; L93-T186 HydrophobicContact CG-CG2 4.37Å; R94-T186 PolarHBondContact N-OG1 3.29Å; R94-T186 PolarHBondContact O-OG1 2.85Å; F95-T186 HydrophobicContact CD1-CG2 4.28Å; F95-T186 HydrophobicContact CD2-CG2 4.45Å; F95-T186 HydrophobicContact CE1-CG2 3.68Å; F95-T186 HydrophobicContact CE2-CG2 3.88Å; F95-T186 HydrophobicContact CZ-CG2 3.46Å; F95-T186 VanDerWaalsContact CZ-CG2 3.46Å; C182-T186 HydrophobicContact CB-CG2 3.88Å; D183-T186 WeakPolarHBondContact O-CA 3.34Å; D183-T186 WeakPolarHBondContact O-CB 3.28Å; D183-T186 PolarHBondContact O-N 3.14Å; K184-T186 PolarHBondContact O-N 3.43Å; T186-F189 PolarHBondContact O-N 3.36Å; T186-L190 HydrophobicContact CG2-CD1 4.05Å; T186-L190 HydrophobicContact CG2-CG 4.44Å; T186-L190 WeakPolarHBondContact O-CB 3.19Å; T186-L190 VanDerWaalsContact O-CG 3.24Å; T186-L190 WeakPolarHBondContact O-CG 3.38Å; T186-L190 PolarHBondContact O-N 3.41Å
187	K	95.1	Very high	94.7	Very high	97 Å²	97	55.3 Å²	55.3	42%	0.422	30%	0.297	S	S	.	.	H	α-helix	trans	-58.9	-53	173.5	-175	175.4	177.1	174.4	0	111.3	D183 K184 F189 L190 E191 V197	D183-K187 PolarHBondContact O-N 2.97Å; K184-K187 PolarHBondContact O-N 2.99Å; K187-F189 VanDerWaalsContact C-N 3.3Å; K187-F189 PolarHBondContact O-N 2.9Å; K187-L190 PolarHBondContact O-N 3.13Å; K187-E191 WeakPolarHBondContact CE-OE1 3.4Å; K187-E191 IonicContact NZ-OE1 2.68Å; K187-E191 WeakPolarHBondContact O-CB 3.38Å; K187-E191 WeakPolarHBondContact O-CG 3.5Å; K187-E191 PolarHBondContact O-N 3.24Å; K187-V197 HydrophobicContact CG-CB 4.49Å; K187-V197 HydrophobicContact CG-CG1 4.48Å; K187-V197 HydrophobicContact CG-CG2 4.3Å
188	D	95.4	Very high	94.6	Very high	80 Å²	80	59.2 Å²	59.2	43%	0.428	32%	0.318	S	S	.	.	H	α-helix	trans	-60.6	-40.3	-179.1	-62.7	-13.1	0	0	0	111.2	K184 S192	K184-D188 PolarHBondContact O-N 3.2Å; D188-S192 WeakPolarHBondContact O-CB 3.41Å; D188-S192 PolarHBondContact O-N 3.45Å; D188-S192 PolarHBondContact O-OG 3.48Å
189	F	94.5	Very high	94.5	Very high	25 Å²	25	64.5 Å²	64.5	11%	0.11	35%	0.345	C	S	.	.	H	α-helix	trans	-64.6	-49.8	176.7	177.7	-93.3	0	0	0	112.3	L93 L122 W161 F185 T186 K187 E191 S192 E193	L93-F189 HydrophobicContact CD1-CD1 3.92Å; L93-F189 HydrophobicContact CD1-CE1 3.98Å; L93-F189 HydrophobicContact CD2-CB 3.92Å; L93-F189 HydrophobicContact CD2-CD1 3.43Å; L93-F189 VanDerWaalsContact CD2-CD1 3.43Å; L93-F189 HydrophobicContact CD2-CE1 4.1Å; L93-F189 HydrophobicContact CD2-CG 3.75Å; L93-F189 HydrophobicContact CG-CD1 4.25Å; L122-F189 HydrophobicContact CD1-CD1 4.36Å; L122-F189 HydrophobicContact CD1-CD2 4.08Å; L122-F189 HydrophobicContact CD1-CE1 3.93Å; L122-F189 HydrophobicContact CD1-CE2 3.62Å; L122-F189 HydrophobicContact CD1-CG 4.42Å; L122-F189 HydrophobicContact CD1-CZ 3.53Å; L122-F189 HydrophobicContact CD2-CE1 3.8Å; L122-F189 HydrophobicContact CD2-CZ 3.71Å; L122-F189 HydrophobicContact CG-CZ 4.3Å; W161-F189 HydrophobicContact CD2-CE1 4.28Å; W161-F189 HydrophobicContact CE3-CE1 4.33Å; F185-F189 VanDerWaalsContact O-CB 3.25Å; F185-F189 WeakPolarHBondContact O-CB 3.35Å; F185-F189 PolarHBondContact O-N 3.24Å; T186-F189 PolarHBondContact O-N 3.36Å; K187-F189 VanDerWaalsContact C-N 3.3Å; K187-F189 PolarHBondContact O-N 2.9Å; F189-E191 VanDerWaalsContact C-N 3.34Å; F189-E191 PolarHBondContact O-N 3.21Å; F189-S192 WeakPolarHBondContact CA-OG 3.44Å; F189-S192 PolarHBondContact O-N 3.39Å; F189-S192 PolarHBondContact O-OG 3.22Å; F189-E193 HydrophobicContact CD1-CG 4.38Å; F189-E193 HydrophobicContact CE1-CG 3.94Å; F189-E193 HydrophobicContact CE2-CG 4.1Å; F189-E193 HydrophobicContact CZ-CG 3.79Å; F189-E193 WeakPolarHBondContact O-CG 3.43Å; F189-E193 PolarHBondContact O-N 3.42Å
190	L	94.5	Very high	94.4	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-60.5	-44.3	179.3	-73.3	175	0	0	0	111.4	F95 W161 T186 K187 S192 E193 G194 V195 V197	F95-L190 HydrophobicContact CE1-CD1 4.02Å; F95-L190 HydrophobicContact CZ-CD1 4.01Å; W161-L190 HydrophobicContact CE3-CD2 3.85Å; W161-L190 HydrophobicContact CZ3-CD2 4.31Å; T186-L190 HydrophobicContact CG2-CD1 4.05Å; T186-L190 HydrophobicContact CG2-CG 4.44Å; T186-L190 WeakPolarHBondContact O-CB 3.19Å; T186-L190 VanDerWaalsContact O-CG 3.24Å; T186-L190 WeakPolarHBondContact O-CG 3.38Å; T186-L190 PolarHBondContact O-N 3.41Å; K187-L190 PolarHBondContact O-N 3.13Å; L190-S192 VanDerWaalsContact C-N 3.33Å; L190-S192 PolarHBondContact O-N 3.28Å; L190-E193 PolarHBondContact O-N 2.95Å; L190-G194 PolarHBondContact O-N 3.2Å; L190-V195 CarbonylContact C-O 3.54Å; L190-V195 HydrophobicContact CB-CB 4.11Å; L190-V195 HydrophobicContact CB-CG1 4.41Å; L190-V195 HydrophobicContact CD2-CB 4.29Å; L190-V195 HydrophobicContact CD2-CG1 4.4Å; L190-V195 HydrophobicContact CD2-CG2 4.41Å; L190-V195 WeakPolarHBondContact O-CA 3.4Å; L190-V195 WeakPolarHBondContact O-CB 3.49Å; L190-V195 PolarHBondContact O-N 3.48Å; L190-V197 HydrophobicContact CB-CG2 3.64Å; L190-V197 HydrophobicContact CD1-CG2 3.93Å; L190-V197 HydrophobicContact CG-CG2 4.47Å
191	E	94.3	Very high	94.3	Very high	98 Å²	98	72 Å²	72	46%	0.458	39%	0.387	S	S	.	.	H	α-helix	trans	-62.9	-39.4	176.2	-71.3	177.6	-178.4	0	0	111.6	K187 F189 E193 G194 V197	K187-E191 WeakPolarHBondContact CE-OE1 3.4Å; K187-E191 IonicContact NZ-OE1 2.68Å; K187-E191 WeakPolarHBondContact O-CB 3.38Å; K187-E191 WeakPolarHBondContact O-CG 3.5Å; K187-E191 PolarHBondContact O-N 3.24Å; F189-E191 VanDerWaalsContact C-N 3.34Å; F189-E191 PolarHBondContact O-N 3.21Å; E191-E193 VanDerWaalsContact C-N 3.32Å; E191-E193 PolarHBondContact O-N 3.43Å; E191-G194 PolarHBondContact O-N 2.96Å; E191-G194 VanDerWaalsContact O-N 3.17Å; E191-V197 HydrophobicContact CG-CG2 4.1Å
192	S	93.2	Very high	94.1	Very high	88 Å²	88	77.2 Å²	77.2	62%	0.615	41%	0.409	S	S	*	.	H	α-helix	trans	-66.9	-31	177.2	74.1	0	0	0	0	113.8	D188 F189 L190 G194	D188-S192 WeakPolarHBondContact O-CB 3.41Å; D188-S192 PolarHBondContact O-N 3.45Å; D188-S192 PolarHBondContact O-OG 3.48Å; F189-S192 WeakPolarHBondContact CA-OG 3.44Å; F189-S192 PolarHBondContact O-N 3.39Å; F189-S192 PolarHBondContact O-OG 3.22Å; L190-S192 VanDerWaalsContact C-N 3.33Å; L190-S192 PolarHBondContact O-N 3.28Å; S192-G194 VanDerWaalsContact C-N 3.27Å
193	E	92.3	Very high	93.9	Very high	100 Å²	100	79.6 Å²	79.6	47%	0.467	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	5.4	176.2	-68	-67.6	142.7	0	0	112.8	W161 F189 L190 E191	W161-E193 HydrophobicContact CH2-CB 3.53Å; W161-E193 HydrophobicContact CH2-CG 4.01Å; W161-E193 HydrophobicContact CZ2-CB 4.42Å; W161-E193 HydrophobicContact CZ2-CG 4.46Å; W161-E193 HydrophobicContact CZ3-CB 3.75Å; W161-E193 HydrophobicContact CZ3-CG 4.35Å; F189-E193 HydrophobicContact CD1-CG 4.38Å; F189-E193 HydrophobicContact CE1-CG 3.94Å; F189-E193 HydrophobicContact CE2-CG 4.1Å; F189-E193 HydrophobicContact CZ-CG 3.79Å; F189-E193 WeakPolarHBondContact O-CG 3.43Å; F189-E193 PolarHBondContact O-N 3.42Å; L190-E193 PolarHBondContact O-N 2.95Å; E191-E193 VanDerWaalsContact C-N 3.32Å; E191-E193 PolarHBondContact O-N 3.43Å
194	G	90.9	Very high	93.8	Very high	64 Å²	64	78.6 Å²	78.6	66%	0.66	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.3	11.9	175.4	0	0	0	0	0	115.5	L190 E191 S192	L190-G194 PolarHBondContact O-N 3.2Å; E191-G194 PolarHBondContact O-N 2.96Å; E191-G194 VanDerWaalsContact O-N 3.17Å; S192-G194 VanDerWaalsContact C-N 3.27Å
195	V	91.4	Very high	93.5	Very high	32 Å²	32	77.4 Å²	77.4	19%	0.194	42%	0.415	C	S	.	.			trans	-87.4	121.6	173.8	177.2	0	0	0	0	109.8	W161 L190 V197	W161-V195 HydrophobicContact CE3-CG2 4.5Å; W161-V195 HydrophobicContact CZ3-CG2 3.73Å; L190-V195 CarbonylContact C-O 3.54Å; L190-V195 HydrophobicContact CB-CB 4.11Å; L190-V195 HydrophobicContact CB-CG1 4.41Å; L190-V195 HydrophobicContact CD2-CB 4.29Å; L190-V195 HydrophobicContact CD2-CG1 4.4Å; L190-V195 HydrophobicContact CD2-CG2 4.41Å; L190-V195 WeakPolarHBondContact O-CA 3.4Å; L190-V195 WeakPolarHBondContact O-CB 3.49Å; L190-V195 PolarHBondContact O-N 3.48Å; V195-V197 PolarHBondContact O-N 3.45Å
196	V	93.2	Very high	93.1	Very high	123 Å²	123	74.2 Å²	74.2	75%	0.745	40%	0.402	S	S	*	.			trans	-76.3	110.2	172	-177.4	0	0	0	0	108.9	N165	N165-V196 PolarHBondContact ND2-O 3.4Å
197	V	93.3	Very high	92.8	Very high	21 Å²	21	75.9 Å²	75.9	13%	0.127	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-75.9	127	180	-175.3	0	0	0	0	109.6	N165 L166 K187 L190 E191 V195	N165-V197 WeakPolarHBondContact OD1-CA 3.46Å; L166-V197 HydrophobicContact CD1-CG1 3.91Å; L166-V197 HydrophobicContact CG-CG1 3.88Å; K187-V197 HydrophobicContact CG-CB 4.49Å; K187-V197 HydrophobicContact CG-CG1 4.48Å; K187-V197 HydrophobicContact CG-CG2 4.3Å; L190-V197 HydrophobicContact CB-CG2 3.64Å; L190-V197 HydrophobicContact CD1-CG2 3.93Å; L190-V197 HydrophobicContact CG-CG2 4.47Å; E191-V197 HydrophobicContact CG-CG2 4.1Å; V195-V197 PolarHBondContact O-N 3.45Å
198	N	94.5	Very high	92.4	Very high	84 Å²	84	74.8 Å²	74.8	45%	0.449	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-66.1	166.5	177.9	-69.6	-26.1	0	0	0	111.7	N165 L166	N165-N198 PolarHBondContact OD1-N 2.98Å; N165-N198 VanDerWaalsContact OD1-N 3.16Å; L166-N198 HydrophobicContact CB-CB 4.05Å; L166-N198 WeakPolarHBondContact CD1-O 3.43Å; L166-N198 WeakPolarHBondContact O-CB 3.41Å; L166-N198 PolarHBondContact O-ND2 3.31Å
199	E	94	Very high	91.9	Very high	172 Å²	172	74 Å²	74	80%	0.804	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-68.4	145.1	173	-66.2	-171	159.9	0	0	111.2
200	P	94.9	Very high	91.5	Very high	81 Å²	81	74.4 Å²	74.4	53%	0.526	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-66.1	135.9	179.9	27.3	-34.3	0	0	0	111.7	L166 T180 N181	L166-P200 HydrophobicContact CD1-CB 4.28Å; T180-P200 CarbonylContact O-C 3.51Å; T180-P200 WeakPolarHBondContact O-CA 3.36Å; N181-P200 HydrophobicContact CB-CB 4.4Å
201	E	94.2	Very high	91.1	Very high	75 Å²	75	78.2 Å²	78.2	35%	0.35	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-90.7	144.6	177.2	-66.2	-174.1	167	0	0	111.6	R178 T180 E203	R178-E201 IonicContact CZ-OE1 3.33Å; R178-E201 IonicContact CZ-OE2 3.41Å; R178-E201 IonicContact NE-OE1 2.71Å; R178-E201 IonicContact NE-OE2 2.86Å; R178-E201 PolarHBondContact NE-OE2 2.95Å; R178-E201 VanDerWaalsContact NH2-CD 3.32Å; R178-E201 IonicContact NH2-OE1 2.78Å; R178-E201 PolarHBondContact NH2-OE1 3.39Å; R178-E201 IonicContact NH2-OE2 3.67Å; R178-E201 PolarHBondContact NH2-OE2 3Å; R178-E201 VanDerWaalsContact NH2-OE2 3.16Å; T180-E201 HydrophobicContact CG2-CB 4.34Å; T180-E201 PolarHBondContact O-N 3.44Å; E201-E203 PolarHBondContact O-N 3.41Å
202	Q	93.2	Very high	90.6	Very high	178 Å²	178	75.7 Å²	75.7	83%	0.832	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-71.7	127.3	173.9	-173.5	62.5	43.6	0	0	110.6
203	E	91.7	Very high	90.2	Very high	61 Å²	61	74 Å²	74	29%	0.285	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-65.2	138.3	174.6	-65.9	171	-177.7	0	0	110.8	L115 T180 E201	L115-E203 HydrophobicContact CD2-CB 4.33Å; L115-E203 HydrophobicContact CD2-CG 4.25Å; L115-E203 VanDerWaalsContact CD2-OE2 3.25Å; L115-E203 WeakPolarHBondContact CD2-OE2 3.4Å; T180-E203 HydrophobicContact CG2-CG 4.06Å; E201-E203 PolarHBondContact O-N 3.41Å
204	P	91.9	Very high	89.7	Confident	31 Å²	31	76.3 Å²	76.3	20%	0.201	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-68.8	142.3	178.7	26.7	-30.6	0	0	0	110.8	Y98 V113 D206	Y98-P204 HydrophobicContact CD1-CG 4.16Å; Y98-P204 HydrophobicContact CD2-CG 3.72Å; Y98-P204 HydrophobicContact CE1-CG 3.86Å; Y98-P204 HydrophobicContact CE2-CG 3.4Å; Y98-P204 HydrophobicContact CG-CG 4.1Å; Y98-P204 VanDerWaalsContact CZ-CD 3.42Å; Y98-P204 VanDerWaalsContact CZ-CG 3.45Å; V113-P204 HydrophobicContact CG1-CG 3.82Å; V113-P204 HydrophobicContact CG2-CB 4.27Å; V113-P204 HydrophobicContact CG2-CG 4Å; P204-D206 PolarHBondContact O-N 3.08Å
205	I	89.5	Confident	89.2	Confident	130 Å²	130	79.3 Å²	79.3	67%	0.667	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-71.5	127.2	178.5	-59.3	171.1	0	0	0	109.1	A210	I205-A210 HydrophobicContact CG2-CB 3.69Å
206	D	88.3	Confident	88.6	Confident	18 Å²	18	83.8 Å²	83.8	10%	0.096	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-72.1	122.6	170.6	-175.5	-63.1	0	0	0	109.8	R112 V113 P204 Y208 L209 A210	R112-D206 WeakPolarHBondContact CA-OD2 3.39Å; V113-D206 HydrophobicContact CB-CB 4.1Å; V113-D206 HydrophobicContact CG2-CB 4.43Å; V113-D206 PolarHBondContact N-OD2 3.46Å; P204-D206 PolarHBondContact O-N 3.08Å; D206-Y208 VanDerWaalsContact C-N 3.32Å; D206-Y208 PolarHBondContact O-N 2.7Å; D206-Y208 WeakPolarHBondContact OD1-CA 3.5Å; D206-Y208 WeakPolarHBondContact OD1-CB 3.32Å; D206-Y208 PolarHBondContact OD1-N 2.82Å; D206-L209 HydrophobicContact CB-CB 4.02Å; D206-L209 HydrophobicContact CB-CD1 3.91Å; D206-L209 HydrophobicContact CB-CG 3.95Å; D206-L209 PolarHBondContact O-N 2.76Å; D206-L209 PolarHBondContact OD1-N 3.12Å; D206-A210 WeakPolarHBondContact O-CB 3.44Å; D206-A210 PolarHBondContact O-N 3.06Å
207	P	87.7	Confident	87.8	Confident	36 Å²	36	81.6 Å²	81.6	23%	0.234	42%	0.419	C	S	.	.	H	α-helix	trans	-62.2	-37.6	-176.2	24.8	-32.9	0	0	0	112.6	E109 Y111 A210 E211	E109-P207 HydrophobicContact CB-CG 4.12Å; Y111-P207 HydrophobicContact CE1-CG 4.42Å; Y111-P207 HydrophobicContact CE2-CG 4.43Å; Y111-P207 WeakPolarHBondContact O-CG 3.2Å; P207-A210 PolarHBondContact O-N 2.93Å; P207-E211 PolarHBondContact O-N 2.74Å
208	Y	87.1	Confident	86.7	Confident	74 Å²	74	86.3 Å²	86.3	29%	0.29	44%	0.442	S	S	.	.	H	α-helix	trans	-68.6	-44.7	178.4	172.2	-97.9	0	0	0	111.6	V108 E109 D206 A210 E211 R212	V108-Y208 HydrophobicContact CB-CD2 4.45Å; V108-Y208 HydrophobicContact CG1-CD2 3.75Å; V108-Y208 HydrophobicContact CG1-CE2 4.44Å; E109-Y208 WeakPolarHBondContact OE2-CB 3.42Å; D206-Y208 VanDerWaalsContact C-N 3.32Å; D206-Y208 PolarHBondContact O-N 2.7Å; D206-Y208 WeakPolarHBondContact OD1-CA 3.5Å; D206-Y208 WeakPolarHBondContact OD1-CB 3.32Å; D206-Y208 PolarHBondContact OD1-N 2.82Å; Y208-A210 VanDerWaalsContact C-N 3.32Å; Y208-A210 PolarHBondContact O-N 2.74Å; Y208-E211 PolarHBondContact O-N 3.04Å; Y208-R212 WeakPolarHBondContact O-CB 3.33Å; Y208-R212 PolarHBondContact O-N 3.19Å
209	L	86.1	Confident	85	Confident	63 Å²	63	85.7 Å²	85.7	33%	0.33	45%	0.449	S	S	.	.	H	α-helix	trans	-63.9	-38.8	176.4	-64.4	180	0	0	0	111.7	D206 R212 A213	D206-L209 HydrophobicContact CB-CB 4.02Å; D206-L209 HydrophobicContact CB-CD1 3.91Å; D206-L209 HydrophobicContact CB-CG 3.95Å; D206-L209 PolarHBondContact O-N 2.76Å; D206-L209 PolarHBondContact OD1-N 3.12Å; L209-R212 PolarHBondContact O-N 2.89Å; L209-A213 WeakPolarHBondContact O-CB 3.21Å; L209-A213 PolarHBondContact O-N 3.22Å
210	A	85.8	Confident	83.4	Confident	34 Å²	34	86.2 Å²	86.2	28%	0.281	46%	0.457	S	S	.	.	H	α-helix	trans	-65.5	-44.2	177.3	0	0	0	0	0	112.5	I205 D206 P207 Y208 K214	I205-A210 HydrophobicContact CG2-CB 3.69Å; D206-A210 WeakPolarHBondContact O-CB 3.44Å; D206-A210 PolarHBondContact O-N 3.06Å; P207-A210 PolarHBondContact O-N 2.93Å; Y208-A210 VanDerWaalsContact C-N 3.32Å; Y208-A210 PolarHBondContact O-N 2.74Å; A210-K214 WeakPolarHBondContact O-CG 3.38Å; A210-K214 PolarHBondContact O-N 3.38Å; A210-K214 VanDerWaalsContact O-N 3.15Å
211	E	84.9	Confident	81.7	Confident	80 Å²	80	85.6 Å²	85.6	37%	0.374	47%	0.465	S	S	.	.	H	α-helix	trans	-66.1	-41.1	175	-78.6	-162.8	180	0	0	112.5	V108 P207 Y208 K214 R215	V108-E211 WeakPolarHBondContact CG1-OE2 3.44Å; P207-E211 PolarHBondContact O-N 2.74Å; Y208-E211 PolarHBondContact O-N 3.04Å; E211-K214 WeakPolarHBondContact O-CB 3.32Å; E211-K214 PolarHBondContact O-N 2.8Å; E211-R215 WeakPolarHBondContact O-CG 3.3Å; E211-R215 PolarHBondContact O-N 3.32Å; E211-R215 IonicContact OE2-CZ 3.42Å; E211-R215 IonicContact OE2-NH2 2.62Å; E211-R215 PolarHBondContact OE2-NH2 2.66Å
212	R	85.1	Confident	80.1	Confident	44 Å²	44	90.7 Å²	90.7	17%	0.166	49%	0.486	C	S	.	.	H	α-helix	trans	-60.8	-46.2	176.7	-179.2	-176.4	177.5	145.3	12	111.4	N136 Y208 L209 K214 R215 E216	N136-R212 VanDerWaalsContact CB-CZ 3.48Å; N136-R212 PolarHBondContact ND2-NH2 2.85Å; N136-R212 PolarHBondContact O-NH1 2.96Å; Y208-R212 WeakPolarHBondContact O-CB 3.33Å; Y208-R212 PolarHBondContact O-N 3.19Å; L209-R212 PolarHBondContact O-N 2.89Å; R212-K214 VanDerWaalsContact C-N 3.25Å; R212-K214 PolarHBondContact O-N 2.85Å; R212-R215 PolarHBondContact O-N 3.38Å; R212-E216 HydrophobicContact CG-CG 4.32Å; R212-E216 IonicContact CZ-OE1 2.68Å; R212-E216 IonicContact NE-OE1 3.53Å; R212-E216 PolarHBondContact NE-OE1 2.86Å; R212-E216 IonicContact NH2-OE1 3.19Å; R212-E216 PolarHBondContact NH2-OE1 3.1Å; R212-E216 PolarHBondContact O-N 3.03Å
213	A	84.1	Confident	78.3	Confident	54 Å²	54	88.6 Å²	88.6	45%	0.446	49%	0.485	S	S	.	.	H	α-helix	trans	-59.1	-38.2	176	0	0	0	0	0	111.5	L209 E216 A217	L209-A213 WeakPolarHBondContact O-CB 3.21Å; L209-A213 PolarHBondContact O-N 3.22Å; A213-E216 PolarHBondContact O-N 3.22Å; A213-A217 WeakPolarHBondContact O-CB 3.11Å; A213-A217 PolarHBondContact O-N 3.37Å
214	K	82.6	Confident	76.8	Confident	148 Å²	148	91.8 Å²	91.8	64%	0.643	51%	0.512	S	S	*	.	H	α-helix	trans	-61.9	-42.9	172.3	-70.2	173.5	-176.1	176	0	112	A210 E211 R212 I218	A210-K214 WeakPolarHBondContact O-CG 3.38Å; A210-K214 PolarHBondContact O-N 3.38Å; A210-K214 VanDerWaalsContact O-N 3.15Å; E211-K214 WeakPolarHBondContact O-CB 3.32Å; E211-K214 PolarHBondContact O-N 2.8Å; R212-K214 VanDerWaalsContact C-N 3.25Å; R212-K214 PolarHBondContact O-N 2.85Å; K214-I218 WeakPolarHBondContact O-CG1 3.39Å; K214-I218 PolarHBondContact O-N 3.49Å
215	R	79.2	Confident	75.1	Confident	127 Å²	127	94.1 Å²	94.1	48%	0.479	53%	0.529	S	S	.	.	H	α-helix	trans	-68.1	-41.2	178.1	-65.4	-179.6	-150.6	141.4	5.2	112.2	E211 R212 I218	E211-R215 WeakPolarHBondContact O-CG 3.3Å; E211-R215 PolarHBondContact O-N 3.32Å; E211-R215 IonicContact OE2-CZ 3.42Å; E211-R215 IonicContact OE2-NH2 2.62Å; E211-R215 PolarHBondContact OE2-NH2 2.66Å; R212-R215 PolarHBondContact O-N 3.38Å; R215-I218 PolarHBondContact O-N 3.36Å
216	E	79.7	Confident	73.9	Confident	125 Å²	125	94.6 Å²	94.6	58%	0.584	54%	0.543	S	S	*	.	H	α-helix	trans	-70.8	-29.8	177.7	-71.2	177.1	174.1	0	0	112.2	R212 A213 I218	R212-E216 HydrophobicContact CG-CG 4.32Å; R212-E216 IonicContact CZ-OE1 2.68Å; R212-E216 IonicContact NE-OE1 3.53Å; R212-E216 PolarHBondContact NE-OE1 2.86Å; R212-E216 IonicContact NH2-OE1 3.19Å; R212-E216 PolarHBondContact NH2-OE1 3.1Å; R212-E216 PolarHBondContact O-N 3.03Å; A213-E216 PolarHBondContact O-N 3.22Å; E216-I218 VanDerWaalsContact C-N 3.28Å; E216-I218 PolarHBondContact O-N 3.42Å
217	A	76.6	Confident	72.9	Confident	77 Å²	77	99.1 Å²	99.1	64%	0.636	56%	0.562	S	S	*	*	H	α-helix	trans	-72.4	-16.9	174.6	0	0	0	0	0	113.7	A213 A219	A213-A217 WeakPolarHBondContact O-CB 3.11Å; A213-A217 PolarHBondContact O-N 3.37Å; A217-A219 VanDerWaalsContact C-N 3.27Å; A217-A219 PolarHBondContact O-N 3.4Å
218	I	69.2	Low	72.6	Confident	120 Å²	120	101.6 Å²	101.6	62%	0.615	57%	0.574	S	S	*	*	S	Bend	trans	-69.7	91.3	170.6	-62.3	166	0	0	0	107.2	K214 R215 E216 L220	K214-I218 WeakPolarHBondContact O-CG1 3.39Å; K214-I218 PolarHBondContact O-N 3.49Å; R215-I218 PolarHBondContact O-N 3.36Å; E216-I218 VanDerWaalsContact C-N 3.28Å; E216-I218 PolarHBondContact O-N 3.42Å; I218-L220 PolarHBondContact O-N 3.41Å
219	A	59.5	Low	72.3	Confident	71 Å²	71	103.7 Å²	103.7	59%	0.587	58%	0.584	S	S	*	*			trans	-60.8	108.7	178.7	0	0	0	0	0	110.3	A217 G221	A217-A219 VanDerWaalsContact C-N 3.27Å; A217-A219 PolarHBondContact O-N 3.4Å; A219-G221 PolarHBondContact O-N 3.46Å
220	L	61.1	Low	72.3	Confident	184 Å²	184	109.7 Å²	109.7	96%	0.963	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	22.5	-176.8	-92.3	151.4	0	0	0	115.7	I218	I218-L220 PolarHBondContact O-N 3.41Å
221	G	59.4	Low	72.5	Confident	68 Å²	68	115.2 Å²	115.2	70%	0.701	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	179.1	42.6	-175.2	0	0	0	0	0	118.3	A219 T223	A219-G221 PolarHBondContact O-N 3.46Å; G221-T223 PolarHBondContact O-N 3.06Å
222	K	58.8	Low	72.8	Confident	181 Å²	181	112.7 Å²	112.7	79%	0.787	60%	0.604	S	S	*	*			trans	-85.6	107.6	160.5	-80.8	-174.2	177.9	178.9	0	108.7	P224	K222-P224 WeakPolarHBondContact O-CD 3.29Å
223	T	57.2	Low	73.1	Confident	134 Å²	134	116.4 Å²	116.4	82%	0.822	62%	0.619	S	S	*	*			trans	-66.8	106.4	163.3	21.7	0	0	0	0	108.4	G221 S225	G221-T223 PolarHBondContact O-N 3.06Å; T223-S225 PolarHBondContact O-N 2.94Å
224	P	58.8	Low	73.5	Confident	129 Å²	129	119.1 Å²	119.1	84%	0.838	63%	0.626	S	S	*	*			trans	-89.3	95.1	178.9	29.7	-15.5	0	0	0	107.3	K222	K222-P224 WeakPolarHBondContact O-CD 3.29Å
225	S	56.9	Low	74	Confident	80 Å²	80	117 Å²	117	56%	0.559	62%	0.618	S	S	*	*			trans	-118	110.2	163.2	67.8	0	0	0	0	109.1	T223 F227	T223-S225 PolarHBondContact O-N 2.94Å; S225-F227 WeakPolarHBondContact CB-O 3.32Å; S225-F227 PolarHBondContact O-N 3.49Å; S225-F227 PolarHBondContact OG-O 3.22Å
226	S	63.3	Low	74.7	Confident	139 Å²	139	112.7 Å²	112.7	97%	0.972	60%	0.604	S	S	*	*	S	Bend	trans	-64.1	-19.2	168	52.9	0	0	0	0	112.4
227	F	69.1	Low	75.3	Confident	113 Å²	113	109.8 Å²	109.8	50%	0.496	59%	0.593	S	S	.	*	S	Bend	trans	-119	129.3	-179.1	-176.8	-92.8	0	0	0	111.1	S225 K229 Q232	S225-F227 WeakPolarHBondContact CB-O 3.32Å; S225-F227 PolarHBondContact O-N 3.49Å; S225-F227 PolarHBondContact OG-O 3.22Å; F227-K229 HydrophobicContact CD1-CG 4.24Å; F227-K229 PolarHBondContact O-N 3.18Å; F227-Q232 HydrophobicContact CE1-CB 3.81Å; F227-Q232 HydrophobicContact CE1-CG 4.43Å; F227-Q232 HydrophobicContact CZ-CB 3.85Å; F227-Q232 HydrophobicContact CZ-CG 4.28Å
228	D	79.4	Confident	76.1	Confident	89 Å²	89	116.7 Å²	116.7	48%	0.476	60%	0.602	S	S	.	*			trans	-78.3	85.3	179	-171.7	-8.5	0	0	0	110.6	R230 R231 Q232	D228-R230 PolarHBondContact O-N 2.95Å; D228-R230 VanDerWaalsContact O-N 3.14Å; D228-R230 WeakPolarHBondContact OD1-CA 3.2Å; D228-R230 VanDerWaalsContact OD1-CB 3.3Å; D228-R230 WeakPolarHBondContact OD1-CB 3.17Å; D228-R230 PolarHBondContact OD1-N 2.75Å; D228-R231 HydrophobicContact CB-CB 3.83Å; D228-R231 VanDerWaalsContact CG-CB 3.47Å; D228-R231 PolarHBondContact O-N 3.19Å; D228-R231 PolarHBondContact OD1-N 3.4Å; D228-R231 WeakPolarHBondContact OD2-CB 3.42Å; D228-Q232 PolarHBondContact O-N 3.32Å
229	K	82.5	Confident	77.3	Confident	117 Å²	117	115 Å²	115	51%	0.509	59%	0.59	S	S	.	*	H	α-helix	trans	-52.6	-32.1	174.9	-68.2	-171	177.6	-172.1	0	111.7	F227 Y233 E315	F227-K229 HydrophobicContact CD1-CG 4.24Å; F227-K229 PolarHBondContact O-N 3.18Å; K229-Y233 WeakPolarHBondContact O-CB 3.46Å; K229-Y233 PolarHBondContact O-N 2.88Å; K229-Y233 VanDerWaalsContact O-N 3.14Å; K229-E315 IonicContact NZ-OE1 3.81Å; K229-E315 IonicContact NZ-OE2 3.11Å; K229-E315 PolarHBondContact NZ-OE2 3.06Å
230	R	86.4	Confident	79.1	Confident	189 Å²	189	113.4 Å²	113.4	71%	0.713	57%	0.573	S	S	*	*	H	α-helix	trans	-71.4	-41.5	178.8	178.9	-175.6	176.1	128.8	0.6	111.3	D228 Y233 L234	D228-R230 PolarHBondContact O-N 2.95Å; D228-R230 VanDerWaalsContact O-N 3.14Å; D228-R230 WeakPolarHBondContact OD1-CA 3.2Å; D228-R230 VanDerWaalsContact OD1-CB 3.3Å; D228-R230 WeakPolarHBondContact OD1-CB 3.17Å; D228-R230 PolarHBondContact OD1-N 2.75Å; R230-Y233 PolarHBondContact O-N 2.76Å; R230-L234 HydrophobicContact CG-CD1 4Å; R230-L234 HydrophobicContact CG-CG 4.41Å; R230-L234 VanDerWaalsContact O-CG 3.28Å; R230-L234 WeakPolarHBondContact O-CG 3.37Å; R230-L234 PolarHBondContact O-N 3.3Å
231	R	89.3	Confident	80.9	Confident	150 Å²	150	104.6 Å²	104.6	57%	0.566	53%	0.527	S	S	*	.	H	α-helix	trans	-61	-48.1	175.9	-180	-179.9	173.7	-165.7	-6.1	111.8	D228 Y233 L234 E235	D228-R231 HydrophobicContact CB-CB 3.83Å; D228-R231 VanDerWaalsContact CG-CB 3.47Å; D228-R231 PolarHBondContact O-N 3.19Å; D228-R231 PolarHBondContact OD1-N 3.4Å; D228-R231 WeakPolarHBondContact OD2-CB 3.42Å; R231-Y233 VanDerWaalsContact C-N 3.3Å; R231-Y233 PolarHBondContact O-N 2.73Å; R231-L234 PolarHBondContact O-N 3.41Å; R231-E235 HydrophobicContact CG-CG 4.4Å; R231-E235 IonicContact CZ-OE1 3.34Å; R231-E235 IonicContact NE-OE1 2.77Å; R231-E235 PolarHBondContact NE-OE1 3.32Å; R231-E235 IonicContact NE-OE2 3.16Å; R231-E235 IonicContact NH2-OE1 2.67Å; R231-E235 PolarHBondContact NH2-OE1 3.12Å; R231-E235 PolarHBondContact O-N 2.6Å
232	Q	90.4	Very high	82.7	Confident	27 Å²	27	105 Å²	105	13%	0.126	51%	0.508	C	S	.	.	H	α-helix	trans	-56.1	-48.2	176.6	-175.5	-178.7	3.8	0	0	110.9	F227 D228 L234 E235 L236 L266 D269	F227-Q232 HydrophobicContact CE1-CB 3.81Å; F227-Q232 HydrophobicContact CE1-CG 4.43Å; F227-Q232 HydrophobicContact CZ-CB 3.85Å; F227-Q232 HydrophobicContact CZ-CG 4.28Å; D228-Q232 PolarHBondContact O-N 3.32Å; Q232-L234 PolarHBondContact O-N 2.83Å; Q232-E235 PolarHBondContact O-N 2.87Å; Q232-L236 HydrophobicContact CG-CD1 3.93Å; Q232-L236 WeakPolarHBondContact O-CB 3.42Å; Q232-L236 PolarHBondContact O-N 2.97Å; Q232-L266 PolarHBondContact NE2-O 3.11Å; Q232-D269 PolarHBondContact NE2-OD2 3.32Å
233	Y	91.8	Very high	84.5	Confident	122 Å²	122	96.5 Å²	96.5	48%	0.478	47%	0.471	S	S	.	.	H	α-helix	trans	-56.6	-47.1	177	178.3	-93.9	0	0	0	112	K229 R230 R231 D237 A267	K229-Y233 WeakPolarHBondContact O-CB 3.46Å; K229-Y233 PolarHBondContact O-N 2.88Å; K229-Y233 VanDerWaalsContact O-N 3.14Å; R230-Y233 PolarHBondContact O-N 2.76Å; R231-Y233 VanDerWaalsContact C-N 3.3Å; R231-Y233 PolarHBondContact O-N 2.73Å; Y233-D237 WeakPolarHBondContact O-CA 3.22Å; Y233-D237 VanDerWaalsContact O-CB 3.25Å; Y233-D237 WeakPolarHBondContact O-CB 3.47Å; Y233-D237 PolarHBondContact O-N 3.3Å; Y233-A267 HydrophobicContact CD2-CB 4.11Å
234	L	92.5	Very high	86.4	Confident	112 Å²	112	92.6 Å²	92.6	59%	0.586	44%	0.441	S	S	*	.	H	α-helix	trans	-68.3	-38.2	-177.6	-70	172.5	0	0	0	113.6	R230 R231 Q232	R230-L234 HydrophobicContact CG-CD1 4Å; R230-L234 HydrophobicContact CG-CG 4.41Å; R230-L234 VanDerWaalsContact O-CG 3.28Å; R230-L234 WeakPolarHBondContact O-CG 3.37Å; R230-L234 PolarHBondContact O-N 3.3Å; R231-L234 PolarHBondContact O-N 3.41Å; Q232-L234 PolarHBondContact O-N 2.83Å
235	E	92.9	Very high	88.2	Confident	102 Å²	102	86.4 Å²	86.4	48%	0.477	40%	0.401	S	S	.	.	H	α-helix	trans	-77.8	-30.2	-178.8	-70.7	178.6	-178.9	0	0	112.8	R231 Q232 K239	R231-E235 HydrophobicContact CG-CG 4.4Å; R231-E235 IonicContact CZ-OE1 3.34Å; R231-E235 IonicContact NE-OE1 2.77Å; R231-E235 PolarHBondContact NE-OE1 3.32Å; R231-E235 IonicContact NE-OE2 3.16Å; R231-E235 IonicContact NH2-OE1 2.67Å; R231-E235 PolarHBondContact NH2-OE1 3.12Å; R231-E235 PolarHBondContact O-N 2.6Å; Q232-E235 PolarHBondContact O-N 2.87Å; E235-K239 PolarHBondContact O-NZ 2.8Å
236	L	93.3	Very high	90	Very high	38 Å²	38	82.8 Å²	82.8	20%	0.199	38%	0.376	C	S	.	.	H	α-helix	trans	-115.5	10.6	-172.1	-57.1	173.8	0	0	0	113.5	Q232 R238 K239 L266	Q232-L236 HydrophobicContact CG-CD1 3.93Å; Q232-L236 WeakPolarHBondContact O-CB 3.42Å; Q232-L236 PolarHBondContact O-N 2.97Å; L236-R238 PolarHBondContact O-N 3.08Å; L236-K239 HydrophobicContact CD2-CD 3.97Å; L236-K239 WeakPolarHBondContact O-CB 3.32Å; L236-K239 PolarHBondContact O-N 3.24Å; L236-K239 VanDerWaalsContact O-N 3.11Å; L236-L266 HydrophobicContact CB-CB 3.92Å; L236-L266 HydrophobicContact CD1-CB 4.09Å; L236-L266 VanDerWaalsContact CD1-O 3.28Å; L236-L266 WeakPolarHBondContact CD1-O 3.36Å; L236-L266 HydrophobicContact CG-CB 4.4Å
237	D	92.7	Very high	91.5	Very high	64 Å²	64	76.3 Å²	76.3	34%	0.342	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	137.4	176	-171	26.4	0	0	0	110.7	Y233 K239	Y233-D237 WeakPolarHBondContact O-CA 3.22Å; Y233-D237 VanDerWaalsContact O-CB 3.25Å; Y233-D237 WeakPolarHBondContact O-CB 3.47Å; Y233-D237 PolarHBondContact O-N 3.3Å; D237-K239 PolarHBondContact O-N 2.76Å
238	R	93.3	Very high	92.5	Very high	221 Å²	221	74.3 Å²	74.3	83%	0.834	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	5.3	-179	-52.6	174.5	-173.3	-163.4	-5.2	116	L236 V240	L236-R238 PolarHBondContact O-N 3.08Å; R238-V240 PolarHBondContact O-N 2.82Å
239	K	95.8	Very high	93.1	Very high	84 Å²	84	71.4 Å²	71.4	37%	0.365	31%	0.308	S	S	.	.			trans	-86.4	109.3	173.2	-63.8	-178.1	-172.6	156.2	0	109.3	E235 L236 D237 L266 F348	E235-K239 PolarHBondContact O-NZ 2.8Å; L236-K239 HydrophobicContact CD2-CD 3.97Å; L236-K239 WeakPolarHBondContact O-CB 3.32Å; L236-K239 PolarHBondContact O-N 3.24Å; L236-K239 VanDerWaalsContact O-N 3.11Å; D237-K239 PolarHBondContact O-N 2.76Å; K239-L266 HydrophobicContact CB-CB 4.36Å; K239-L266 HydrophobicContact CB-CD1 3.83Å; K239-L266 WeakPolarHBondContact O-CB 3.45Å; K239-L266 PolarHBondContact O-N 2.83Å; K239-L266 VanDerWaalsContact O-N 3.15Å; K239-F348 HydrophobicContact CB-CE1 4.23Å; K239-F348 HydrophobicContact CB-CZ 3.78Å; K239-F348 HydrophobicContact CD-CZ 4.3Å; K239-F348 HydrophobicContact CG-CZ 3.93Å
240	V	97.2	Very high	93.4	Very high	38 Å²	38	72.2 Å²	72.2	23%	0.23	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	124.4	-177.7	-172.6	0	0	0	0	108.7	R238 H263 Y264 Y265 F348	R238-V240 PolarHBondContact O-N 2.82Å; V240-H263 HydrophobicContact CG1-CB 3.79Å; V240-Y264 WeakPolarHBondContact CA-O 2.94Å; V240-Y265 HydrophobicContact CB-CD1 4.46Å; V240-Y265 HydrophobicContact CG1-CD1 4.22Å; V240-Y265 HydrophobicContact CG1-CE1 4.19Å; V240-Y265 HydrophobicContact CG1-CG 4.47Å; V240-Y265 HydrophobicContact CG2-CD1 3.47Å; V240-Y265 VanDerWaalsContact CG2-CD1 3.47Å; V240-Y265 HydrophobicContact CG2-CE1 3.56Å; V240-Y265 HydrophobicContact CG2-CG 4.36Å; V240-F348 VanDerWaalsContact O-CD1 3.29Å; V240-F348 WeakPolarHBondContact O-CD1 3.35Å; V240-F348 WeakPolarHBondContact O-CE1 3.18Å
241	L	97.2	Very high	93.6	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	124.9	171.4	-53.7	171	0	0	0	107.8	F243 H263 Y264 L266 P324 F348 T349 W352 Y353	L241-F243 HydrophobicContact CB-CE2 3.7Å; L241-F243 HydrophobicContact CB-CZ 4Å; L241-H263 CarbonylContact O-C 3.59Å; L241-H263 WeakPolarHBondContact O-CA 3.35Å; L241-Y264 HydrophobicContact CD1-CD1 4.17Å; L241-Y264 PolarHBondContact N-O 2.65Å; L241-Y264 PolarHBondContact O-N 2.92Å; L241-L266 HydrophobicContact CD1-CD1 4.43Å; L241-L266 HydrophobicContact CD1-CD2 3.78Å; L241-L266 HydrophobicContact CD1-CG 4.21Å; L241-L266 HydrophobicContact CD2-CD1 4.05Å; L241-L266 HydrophobicContact CG-CD1 4.01Å; L241-L266 HydrophobicContact CG-CD2 4.18Å; L241-L266 HydrophobicContact CG-CG 4.05Å; L241-P324 HydrophobicContact CD1-CB 3.85Å; L241-P324 HydrophobicContact CD1-CG 4.18Å; L241-F348 HydrophobicContact CD2-CD1 4.44Å; L241-F348 HydrophobicContact CD2-CE1 4.06Å; L241-T349 HydrophobicContact CB-CG2 4.01Å; L241-T349 HydrophobicContact CD2-CG2 4.02Å; L241-W352 HydrophobicContact CD1-CD2 4.46Å; L241-W352 HydrophobicContact CD1-CE3 3.96Å; L241-W352 HydrophobicContact CD1-CH2 4.43Å; L241-W352 HydrophobicContact CD1-CZ3 3.92Å; L241-W352 HydrophobicContact CD2-CB 3.88Å; L241-W352 HydrophobicContact CD2-CD2 3.73Å; L241-W352 HydrophobicContact CD2-CE3 3.76Å; L241-W352 HydrophobicContact CD2-CG 3.79Å; L241-W352 HydrophobicContact CG-CE3 4.5Å; L241-Y353 HydrophobicContact CD1-CE2 3.85Å; L241-Y353 HydrophobicContact CD2-CE2 4.25Å
242	R	97.5	Very high	93.7	Very high	75 Å²	75	68.4 Å²	68.4	28%	0.283	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	121.4	-179.5	-173	174.4	76.5	-150.3	-3.7	109.9	Y244 I261 H263 C345 D346 T349	R242-Y244 VanDerWaalsContact CZ-OH 3.3Å; R242-Y244 PolarHBondContact NE-OH 3.02Å; R242-Y244 VanDerWaalsContact NE-OH 3.13Å; R242-Y244 PolarHBondContact NH2-OH 3.37Å; R242-I261 HydrophobicContact CG-CG2 3.51Å; R242-H263 WeakPolarHBondContact CD-NE2 3.33Å; R242-C345 WeakPolarHBondContact O-CA 3.17Å; R242-C345 WeakPolarHBondContact O-CB 3.32Å; R242-D346 HydrophobicContact CB-CB 4.08Å; R242-D346 IonicContact CZ-OD2 3.95Å; R242-D346 IonicContact NE-OD2 3.38Å; R242-D346 IonicContact NH1-OD2 2.92Å; R242-D346 IonicContact NH2-OD1 2.74Å; R242-D346 PolarHBondContact NH2-OD1 3.11Å; R242-D346 IonicContact NH2-OD2 3.7Å; R242-D346 PolarHBondContact NH2-OD2 3.29Å; R242-D346 PolarHBondContact O-N 2.79Å; R242-T349 PolarHBondContact N-OG1 3.38Å; R242-T349 PolarHBondContact O-OG1 3.22Å; R242-T349 VanDerWaalsContact O-OG1 3.12Å
243	F	97.2	Very high	93.7	Very high	3 Å²	3	75.8 Å²	75.8	1%	0.013	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	142.9	175.3	-54.7	-85.9	0	0	0	110.2	L241 I261 I262 F327 I342 C345 T349 Y353	L241-F243 HydrophobicContact CB-CE2 3.7Å; L241-F243 HydrophobicContact CB-CZ 4Å; F243-I261 WeakPolarHBondContact O-CA 3.49Å; F243-I262 HydrophobicContact CB-CB 4.29Å; F243-I262 PolarHBondContact N-O 3.31Å; F243-I262 PolarHBondContact O-N 2.94Å; F243-F327 HydrophobicContact CD1-CB 4.27Å; F243-F327 HydrophobicContact CD2-CB 4.3Å; F243-F327 HydrophobicContact CD2-CD1 4.34Å; F243-F327 HydrophobicContact CD2-CG 4.4Å; F243-F327 HydrophobicContact CE1-CB 3.78Å; F243-F327 HydrophobicContact CE2-CB 3.81Å; F243-F327 HydrophobicContact CE2-CD1 4.41Å; F243-F327 HydrophobicContact CE2-CG 4.03Å; F243-F327 HydrophobicContact CZ-CB 3.54Å; F243-F327 HydrophobicContact CZ-CG 4.26Å; F243-I342 HydrophobicContact CB-CG2 4.05Å; F243-I342 HydrophobicContact CD1-CG2 4.03Å; F243-I342 HydrophobicContact CG-CG2 4.44Å; F243-C345 HydrophobicContact CD1-CB 3.73Å; F243-C345 HydrophobicContact CE1-CB 4.16Å; F243-T349 HydrophobicContact CD1-CG2 4.28Å; F243-T349 HydrophobicContact CE1-CG2 3.54Å; F243-T349 HydrophobicContact CE2-CG2 4.37Å; F243-T349 HydrophobicContact CZ-CG2 3.58Å; F243-Y353 HydrophobicContact CE1-CE2 4.09Å; F243-Y353 AromaticContact CZ-CE2 3.68Å; F243-Y353 HydrophobicContact CZ-CE2 3.68Å; F243-Y353 AromaticContact CZ-CZ 3.75Å; F243-Y353 VanDerWaalsContact CZ-OH 3.24Å; F243-Y353 WeakPolarHBondContact CZ-OH 3.41Å
244	Y	96.8	Very high	93.5	Very high	52 Å²	52	79 Å²	79	20%	0.204	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126	169.8	-58.4	-79.4	0	0	0	108.4	R242 I261 I342 Y343 D344	R242-Y244 VanDerWaalsContact CZ-OH 3.3Å; R242-Y244 PolarHBondContact NE-OH 3.02Å; R242-Y244 VanDerWaalsContact NE-OH 3.13Å; R242-Y244 PolarHBondContact NH2-OH 3.37Å; Y244-I261 HydrophobicContact CD1-CG1 4.12Å; Y244-I261 HydrophobicContact CE1-CD1 4.33Å; Y244-I261 HydrophobicContact CE1-CG1 4.26Å; Y244-I342 WeakPolarHBondContact O-CA 3.46Å; Y244-Y343 VanDerWaalsContact C-CE1 3.49Å; Y244-Y343 VanDerWaalsContact CB-CZ 3.43Å; Y244-Y343 VanDerWaalsContact O-CD1 3.23Å; Y244-Y343 WeakPolarHBondContact O-CD1 3.41Å; Y244-Y343 PolarHBondContact O-N 3.43Å; Y244-D344 HydrophobicContact CD2-CB 3.98Å; Y244-D344 PolarHBondContact N-O 2.93Å; Y244-D344 PolarHBondContact O-N 3.15Å
245	A	96.1	Very high	93.1	Very high	0 Å²	0	74.6 Å²	74.6	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	155.3	-176.5	0	0	0	0	0	111.8	F260 I262 L341 I342	A245-F260 PolarHBondContact N-O 2.85Å; A245-F260 PolarHBondContact O-N 3.1Å; A245-F260 VanDerWaalsContact O-O 3.11Å; A245-I262 HydrophobicContact CB-CD1 3.75Å; A245-I262 HydrophobicContact CB-CG1 4.2Å; A245-L341 CarbonylContact C-O 3.32Å; A245-L341 WeakPolarHBondContact CA-O 3.23Å; A245-I342 HydrophobicContact CB-CG1 4.3Å
246	V	95.4	Very high	92.9	Very high	3 Å²	3	74.3 Å²	74.3	2%	0.018	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	136.5	172.8	154.7	0	0	0	0	109.2	D248 C257 R258 K259 L341 Y343 I367	V246-D248 HydrophobicContact CG1-CB 4.38Å; V246-C257 WeakPolarHBondContact CG1-SG 3.4Å; V246-R258 CarbonylContact C-O 3.57Å; V246-R258 VanDerWaalsContact CA-O 3.27Å; V246-R258 WeakPolarHBondContact CA-O 3.35Å; V246-K259 HydrophobicContact CG2-CG 3.92Å; V246-L341 PolarHBondContact N-O 3.18Å; V246-L341 PolarHBondContact O-N 3.26Å; V246-Y343 HydrophobicContact CG2-CD1 4.08Å; V246-Y343 HydrophobicContact CG2-CE1 3.95Å; V246-I367 HydrophobicContact CB-CD1 3.95Å; V246-I367 HydrophobicContact CB-CG2 4.38Å; V246-I367 HydrophobicContact CG1-CG2 4.17Å; V246-I367 HydrophobicContact CG2-CD1 3.89Å; V246-I367 HydrophobicContact CG2-CG2 4.01Å
247	Q	93.9	Very high	92.8	Very high	4 Å²	4	74.3 Å²	74.3	2%	0.019	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	111.8	166	-159.9	-169	7.5	0	0	107.8	E249 R258 F260 K339 Y340	Q247-E249 VanDerWaalsContact CD-OE1 3.27Å; Q247-E249 HydrophobicContact CG-CG 4.2Å; Q247-E249 PolarHBondContact NE2-OE1 2.64Å; Q247-R258 PolarHBondContact N-O 2.84Å; Q247-R258 PolarHBondContact O-N 3.35Å; Q247-F260 HydrophobicContact CB-CD2 3.84Å; Q247-F260 HydrophobicContact CB-CE2 3.49Å; Q247-F260 VanDerWaalsContact CB-CE2 3.49Å; Q247-F260 HydrophobicContact CG-CE2 4.48Å; Q247-K339 WeakPolarHBondContact CG-O 3.49Å; Q247-Y340 HydrophobicContact CB-CD1 4.11Å; Q247-Y340 HydrophobicContact CB-CE1 4.11Å; Q247-Y340 HydrophobicContact CG-CD1 4.42Å; Q247-Y340 HydrophobicContact CG-CE1 4.25Å
248	D	91.9	Very high	92.7	Very high	70 Å²	70	72.7 Å²	72.7	37%	0.374	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	95.1	179.6	-170.1	0.6	0	0	0	110.7	V246 R250	V246-D248 HydrophobicContact CG1-CB 4.38Å; D248-R250 WeakPolarHBondContact OD1-CB 3.4Å; D248-R250 VanDerWaalsContact OD1-CG 3.24Å; D248-R250 WeakPolarHBondContact OD1-CG 3.44Å; D248-R250 IonicContact OD1-CZ 2.69Å; D248-R250 PolarHBondContact OD1-N 3.17Å; D248-R250 IonicContact OD1-NE 2.76Å; D248-R250 PolarHBondContact OD1-NE 2.92Å; D248-R250 IonicContact OD1-NH2 2.76Å; D248-R250 IonicContact OD2-CZ 3.55Å; D248-R250 IonicContact OD2-NE 3.28Å; D248-R250 PolarHBondContact OD2-NE 3.19Å; D248-R250 IonicContact OD2-NH2 3.95Å; D248-R250 PolarHBondContact OD2-NH2 3.32Å
249	E	91.6	Very high	92.8	Very high	29 Å²	29	66.6 Å²	66.6	14%	0.136	31%	0.309	C	S	.	.			trans	-99.8	9	178.1	-70.8	174	160.1	0	0	112.4	Q247 H251 E252 G255 E256 R258	Q247-E249 VanDerWaalsContact CD-OE1 3.27Å; Q247-E249 HydrophobicContact CG-CG 4.2Å; Q247-E249 PolarHBondContact NE2-OE1 2.64Å; E249-H251 PolarHBondContact O-N 2.92Å; E249-E252 WeakPolarHBondContact O-CB 3.37Å; E249-E252 PolarHBondContact O-N 2.91Å; E249-G255 VanDerWaalsContact O-CA 3.28Å; E249-G255 WeakPolarHBondContact O-CA 3.47Å; E249-E256 PolarHBondContact N-O 3.48Å; E249-R258 IonicContact OE1-NH2 3.62Å; E249-R258 PolarHBondContact OE1-NH2 2.91Å; E249-R258 IonicContact OE2-CZ 3.38Å; E249-R258 IonicContact OE2-NE 3.07Å; E249-R258 IonicContact OE2-NH2 2.66Å; E249-R258 PolarHBondContact OE2-NH2 2.72Å
250	R	89.1	Confident	92.7	Very high	133 Å²	133	62.6 Å²	62.6	50%	0.502	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-12.8	-173.9	-68.7	178.6	-67.7	172.6	-0	116	D248 C257	D248-R250 WeakPolarHBondContact OD1-CB 3.4Å; D248-R250 VanDerWaalsContact OD1-CG 3.24Å; D248-R250 WeakPolarHBondContact OD1-CG 3.44Å; D248-R250 IonicContact OD1-CZ 2.69Å; D248-R250 PolarHBondContact OD1-N 3.17Å; D248-R250 IonicContact OD1-NE 2.76Å; D248-R250 PolarHBondContact OD1-NE 2.92Å; D248-R250 IonicContact OD1-NH2 2.76Å; D248-R250 IonicContact OD2-CZ 3.55Å; D248-R250 IonicContact OD2-NE 3.28Å; D248-R250 PolarHBondContact OD2-NE 3.19Å; D248-R250 IonicContact OD2-NH2 3.95Å; D248-R250 PolarHBondContact OD2-NH2 3.32Å; R250-C257 HydrophobicContact CG-CB 4.14Å
251	H	90	Very high	92.7	Very high	156 Å²	156	62.4 Å²	62.4	72%	0.722	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-18.4	174.6	64.6	-79.4	0	0	0	113.3	E249	E249-H251 PolarHBondContact O-N 2.92Å
252	E	90.7	Very high	92.7	Very high	104 Å²	104	62.4 Å²	62.4	49%	0.486	29%	0.289	S	S	.	.	S	Bend	trans	-80.8	154.6	173.6	-59.1	-172.8	-177.7	0	0	110.9	E249 F254 G255	E249-E252 WeakPolarHBondContact O-CB 3.37Å; E249-E252 PolarHBondContact O-N 2.91Å; E252-F254 PolarHBondContact O-N 3.12Å; E252-G255 PolarHBondContact O-N 3.18Å; E252-G255 VanDerWaalsContact O-N 3.09Å
253	M	89.7	Confident	92.7	Very high	181 Å²	181	60 Å²	60	89%	0.892	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-27.8	-173	-66.3	-173.7	76.2	0	0	114.6
254	F	87.7	Confident	92.7	Very high	191 Å²	191	60 Å²	60	84%	0.838	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.7	19.1	178.8	-55.3	-70.8	0	0	0	111.8	E252	E252-F254 PolarHBondContact O-N 3.12Å
255	G	84.8	Confident	92.8	Very high	18 Å²	18	59.3 Å²	59.3	19%	0.186	28%	0.278	C	S	.	.			trans	-78.3	143	-172.3	0	0	0	0	0	112.6	E249 E252	E249-G255 VanDerWaalsContact O-CA 3.28Å; E249-G255 WeakPolarHBondContact O-CA 3.47Å; E252-G255 PolarHBondContact O-N 3.18Å; E252-G255 VanDerWaalsContact O-N 3.09Å
256	E	89	Confident	92.7	Very high	96 Å²	96	59.4 Å²	59.4	45%	0.449	28%	0.279	S	S	.	.			trans	-120.1	160	179.9	-67.2	175.1	163	0	0	109.9	E249 R258 R283	E249-E256 PolarHBondContact N-O 3.48Å; E256-R258 HydrophobicContact CB-CG 4.08Å; E256-R283 IonicContact OE2-CZ 3.4Å; E256-R283 IonicContact OE2-NE 3.32Å; E256-R283 PolarHBondContact OE2-NE 3.01Å; E256-R283 IonicContact OE2-NH2 3.66Å; E256-R283 PolarHBondContact OE2-NH2 3.06Å
257	C	90.9	Very high	92.7	Very high	39 Å²	39	59.7 Å²	59.7	26%	0.264	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	109.3	170.2	-175.4	0	0	0	0	108.7	V246 R250 I369	V246-C257 WeakPolarHBondContact CG1-SG 3.4Å; R250-C257 HydrophobicContact CG-CB 4.14Å; C257-I369 HydrophobicContact CB-CD1 4.09Å
258	R	91.6	Very high	92.6	Very high	30 Å²	30	62.3 Å²	62.3	11%	0.113	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	142.5	-168.8	-62.7	-175.9	-72	160.5	-9.5	111.7	V246 Q247 E249 E256 F260 E275 R283	V246-R258 CarbonylContact C-O 3.57Å; V246-R258 VanDerWaalsContact CA-O 3.27Å; V246-R258 WeakPolarHBondContact CA-O 3.35Å; Q247-R258 PolarHBondContact N-O 2.84Å; Q247-R258 PolarHBondContact O-N 3.35Å; E249-R258 IonicContact OE1-NH2 3.62Å; E249-R258 PolarHBondContact OE1-NH2 2.91Å; E249-R258 IonicContact OE2-CZ 3.38Å; E249-R258 IonicContact OE2-NE 3.07Å; E249-R258 IonicContact OE2-NH2 2.66Å; E249-R258 PolarHBondContact OE2-NH2 2.72Å; E256-R258 HydrophobicContact CB-CG 4.08Å; R258-F260 HydrophobicContact CB-CD2 4.32Å; R258-F260 HydrophobicContact CB-CE2 3.48Å; R258-F260 VanDerWaalsContact CB-CE2 3.48Å; R258-F260 HydrophobicContact CB-CZ 3.9Å; R258-E275 IonicContact NH1-OE1 2.75Å; R258-R283 VanDerWaalsContact CD-NH2 3.29Å
259	K	93.8	Very high	92.7	Very high	93 Å²	93	61 Å²	61	40%	0.404	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	134.2	-179.9	-63.5	-178.5	-178.5	-177.3	0	110.5	V246 I276	V246-K259 HydrophobicContact CG2-CG 3.92Å; K259-I276 HydrophobicContact CB-CB 4.16Å; K259-I276 HydrophobicContact CB-CD1 4.05Å; K259-I276 HydrophobicContact CB-CG1 4.44Å; K259-I276 PolarHBondContact O-N 2.88Å
260	F	95.2	Very high	92.9	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	156.3	-179.1	-65.2	-82.4	0	0	0	111.1	A245 Q247 R258 I273 R274 E275 L289 Y340	A245-F260 PolarHBondContact N-O 2.85Å; A245-F260 PolarHBondContact O-N 3.1Å; A245-F260 VanDerWaalsContact O-O 3.11Å; Q247-F260 HydrophobicContact CB-CD2 3.84Å; Q247-F260 HydrophobicContact CB-CE2 3.49Å; Q247-F260 VanDerWaalsContact CB-CE2 3.49Å; Q247-F260 HydrophobicContact CG-CE2 4.48Å; R258-F260 HydrophobicContact CB-CD2 4.32Å; R258-F260 HydrophobicContact CB-CE2 3.48Å; R258-F260 VanDerWaalsContact CB-CE2 3.48Å; R258-F260 HydrophobicContact CB-CZ 3.9Å; F260-I273 HydrophobicContact CB-CG2 4.08Å; F260-I273 HydrophobicContact CD1-CG2 4.02Å; F260-I273 HydrophobicContact CG-CG2 4.3Å; F260-R274 CarbonylContact C-O 3.08Å; F260-R274 VanDerWaalsContact CA-O 3.26Å; F260-R274 WeakPolarHBondContact CA-O 3.48Å; F260-E275 HydrophobicContact CD1-CB 3.95Å; F260-E275 HydrophobicContact CD1-CG 4.15Å; F260-E275 HydrophobicContact CE1-CB 3.66Å; F260-E275 HydrophobicContact CE1-CG 3.56Å; F260-E275 HydrophobicContact CZ-CG 4.19Å; F260-L289 HydrophobicContact CD1-CB 4.48Å; F260-L289 HydrophobicContact CD1-CD2 3.93Å; F260-L289 HydrophobicContact CE1-CB 4.27Å; F260-L289 HydrophobicContact CE1-CD1 4.16Å; F260-L289 HydrophobicContact CE1-CD2 3.55Å; F260-L289 HydrophobicContact CE1-CG 4.2Å; F260-L289 HydrophobicContact CZ-CD2 4.08Å; F260-Y340 HydrophobicContact CB-CD1 4.45Å; F260-Y340 HydrophobicContact CB-CE1 4.4Å; F260-Y340 HydrophobicContact CD2-CD1 4.04Å; F260-Y340 AromaticContact CD2-CE1 3.72Å; F260-Y340 HydrophobicContact CD2-CE1 3.72Å; F260-Y340 HydrophobicContact CE2-CE1 4.1Å; F260-Y340 HydrophobicContact CG-CD1 4.39Å; F260-Y340 AromaticContact CG-CE1 3.97Å; F260-Y340 HydrophobicContact CG-CE1 3.97Å
261	I	96.9	Very high	93.2	Very high	33 Å²	33	53.8 Å²	53.8	17%	0.169	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	125.8	169.5	-58.5	174.5	0	0	0	107.7	R242 F243 Y244 I273 R274 I276	R242-I261 HydrophobicContact CG-CG2 3.51Å; F243-I261 WeakPolarHBondContact O-CA 3.49Å; Y244-I261 HydrophobicContact CD1-CG1 4.12Å; Y244-I261 HydrophobicContact CE1-CD1 4.33Å; Y244-I261 HydrophobicContact CE1-CG1 4.26Å; I261-I273 WeakPolarHBondContact O-CA 3.48Å; I261-R274 HydrophobicContact CB-CB 4.41Å; I261-R274 PolarHBondContact N-O 3.28Å; I261-R274 PolarHBondContact O-N 2.96Å; I261-I276 HydrophobicContact CD1-CD1 3.98Å; I261-I276 HydrophobicContact CD1-CG1 3.93Å; I261-I276 HydrophobicContact CG1-CD1 3.56Å; I261-I276 HydrophobicContact CG1-CG1 3.66Å
262	I	97.2	Very high	93.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	117.4	174.2	-54.9	174.4	0	0	0	107.5	F243 A245 L271 I273 F327 I335 Y340	F243-I262 HydrophobicContact CB-CB 4.29Å; F243-I262 PolarHBondContact N-O 3.31Å; F243-I262 PolarHBondContact O-N 2.94Å; A245-I262 HydrophobicContact CB-CD1 3.75Å; A245-I262 HydrophobicContact CB-CG1 4.2Å; I262-L271 HydrophobicContact CG2-CD2 3.63Å; I262-I273 HydrophobicContact CG1-CG1 4.39Å; I262-F327 HydrophobicContact CG2-CE1 4.12Å; I262-I335 HydrophobicContact CD1-CD1 4.3Å; I262-Y340 HydrophobicContact CD1-CG 4.37Å
263	H	97.6	Very high	93.8	Very high	25 Å²	25	42 Å²	42	12%	0.116	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	126.3	171.4	-68.4	129.4	0	0	0	109.8	V240 L241 R242 Y265 L271 E272	V240-H263 HydrophobicContact CG1-CB 3.79Å; L241-H263 CarbonylContact O-C 3.59Å; L241-H263 WeakPolarHBondContact O-CA 3.35Å; R242-H263 WeakPolarHBondContact CD-NE2 3.33Å; H263-Y265 HydrophobicContact CB-CE2 3.99Å; H263-L271 CarbonylContact O-C 3.59Å; H263-L271 WeakPolarHBondContact O-CA 2.84Å; H263-E272 HydrophobicContact CB-CB 4.3Å; H263-E272 PolarHBondContact N-O 2.98Å; H263-E272 PolarHBondContact O-N 3.34Å
264	Y	97.3	Very high	94.1	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.008	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	117.2	169.8	-173.8	-74.5	0	0	0	109.1	V240 L241 L266 D269 T270 L271 F322 P324 F327	V240-Y264 WeakPolarHBondContact CA-O 2.94Å; L241-Y264 HydrophobicContact CD1-CD1 4.17Å; L241-Y264 PolarHBondContact N-O 2.65Å; L241-Y264 PolarHBondContact O-N 2.92Å; Y264-L266 HydrophobicContact CD1-CD2 4.07Å; Y264-L266 HydrophobicContact CD1-CG 4.48Å; Y264-L266 HydrophobicContact CE1-CD2 4.02Å; Y264-D269 WeakPolarHBondContact CE1-OD1 3.45Å; Y264-D269 WeakPolarHBondContact OH-CA 3.21Å; Y264-D269 WeakPolarHBondContact OH-CB 3.41Å; Y264-D269 PolarHBondContact OH-OD1 3.27Å; Y264-T270 WeakPolarHBondContact CA-O 3.39Å; Y264-L271 HydrophobicContact CD2-CD1 4.33Å; Y264-L271 HydrophobicContact CD2-CD2 3.61Å; Y264-L271 HydrophobicContact CD2-CG 3.76Å; Y264-L271 HydrophobicContact CE2-CG 4.35Å; Y264-L271 HydrophobicContact CG-CD2 4.21Å; Y264-F322 PolarHBondContact OH-O 3.48Å; Y264-P324 HydrophobicContact CD1-CG 4.11Å; Y264-P324 HydrophobicContact CE1-CG 3.57Å; Y264-P324 WeakPolarHBondContact OH-CD 3.37Å; Y264-F327 HydrophobicContact CD2-CD2 4.35Å; Y264-F327 AromaticContact CD2-CE2 3.74Å; Y264-F327 HydrophobicContact CD2-CE2 3.74Å; Y264-F327 HydrophobicContact CD2-CZ 4.4Å; Y264-F327 HydrophobicContact CE2-CE2 4.16Å
265	Y	97.4	Very high	94.4	Very high	38 Å²	38	30.6 Å²	30.6	15%	0.149	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	114.4	-178.9	-67.8	-92.3	0	0	0	110.1	V240 H263 A267 D268 D269 T270 E272 R292	V240-Y265 HydrophobicContact CB-CD1 4.46Å; V240-Y265 HydrophobicContact CG1-CD1 4.22Å; V240-Y265 HydrophobicContact CG1-CE1 4.19Å; V240-Y265 HydrophobicContact CG1-CG 4.47Å; V240-Y265 HydrophobicContact CG2-CD1 3.47Å; V240-Y265 VanDerWaalsContact CG2-CD1 3.47Å; V240-Y265 HydrophobicContact CG2-CE1 3.56Å; V240-Y265 HydrophobicContact CG2-CG 4.36Å; H263-Y265 HydrophobicContact CB-CE2 3.99Å; Y265-A267 PolarHBondContact O-N 2.8Å; Y265-D268 VanDerWaalsContact CB-OD1 3.29Å; Y265-D268 WeakPolarHBondContact CB-OD1 3.48Å; Y265-D269 WeakPolarHBondContact O-CA 3.43Å; Y265-D269 PolarHBondContact O-N 3.47Å; Y265-T270 WeakPolarHBondContact CB-OG1 3.27Å; Y265-T270 PolarHBondContact N-O 3.36Å; Y265-E272 HydrophobicContact CE2-CB 3.88Å; Y265-E272 VanDerWaalsContact CE2-OE2 3.29Å; Y265-E272 WeakPolarHBondContact CE2-OE2 3.25Å; Y265-E272 VanDerWaalsContact CZ-OE2 3.31Å; Y265-E272 PolarHBondContact OH-OE2 3.21Å; Y265-R292 HydrophobicContact CD2-CG 3.92Å; Y265-R292 VanDerWaalsContact CE1-NH1 3.35Å; Y265-R292 VanDerWaalsContact CE2-CD 3.49Å; Y265-R292 HydrophobicContact CE2-CG 3.88Å
266	L	95.4	Very high	94.8	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.016	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-20.5	-177	-70.1	170.2	0	0	0	113.4	Q232 L236 K239 L241 Y264 D268 P324 W352	Q232-L266 PolarHBondContact NE2-O 3.11Å; L236-L266 HydrophobicContact CB-CB 3.92Å; L236-L266 HydrophobicContact CD1-CB 4.09Å; L236-L266 VanDerWaalsContact CD1-O 3.28Å; L236-L266 WeakPolarHBondContact CD1-O 3.36Å; L236-L266 HydrophobicContact CG-CB 4.4Å; K239-L266 HydrophobicContact CB-CB 4.36Å; K239-L266 HydrophobicContact CB-CD1 3.83Å; K239-L266 WeakPolarHBondContact O-CB 3.45Å; K239-L266 PolarHBondContact O-N 2.83Å; K239-L266 VanDerWaalsContact O-N 3.15Å; L241-L266 HydrophobicContact CD1-CD1 4.43Å; L241-L266 HydrophobicContact CD1-CD2 3.78Å; L241-L266 HydrophobicContact CD1-CG 4.21Å; L241-L266 HydrophobicContact CD2-CD1 4.05Å; L241-L266 HydrophobicContact CG-CD1 4.01Å; L241-L266 HydrophobicContact CG-CD2 4.18Å; L241-L266 HydrophobicContact CG-CG 4.05Å; Y264-L266 HydrophobicContact CD1-CD2 4.07Å; Y264-L266 HydrophobicContact CD1-CG 4.48Å; Y264-L266 HydrophobicContact CE1-CD2 4.02Å; L266-D268 VanDerWaalsContact C-N 3.34Å; L266-D268 PolarHBondContact O-N 3.3Å; L266-P324 HydrophobicContact CD2-CG 3.85Å; L266-W352 HydrophobicContact CD1-CD2 4.21Å; L266-W352 HydrophobicContact CD1-CG 4.38Å; L266-W352 HydrophobicContact CD1-CZ2 4.01Å; L266-W352 HydrophobicContact CD2-CH2 3.93Å; L266-W352 HydrophobicContact CD2-CZ2 3.56Å; L266-W352 HydrophobicContact CG-CZ2 4.46Å
267	A	94.3	Very high	94.9	Very high	8 Å²	8	30.9 Å²	30.9	7%	0.066	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-30.5	-178.7	0	0	0	0	0	113.6	Y233 Y265	Y233-A267 HydrophobicContact CD2-CB 4.11Å; Y265-A267 PolarHBondContact O-N 2.8Å
268	D	92.5	Very high	94.8	Very high	59 Å²	59	33.7 Å²	33.7	32%	0.316	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-143.5	9	-173	62.1	-6.3	0	0	0	114.4	Y265 L266 T270 R292	Y265-D268 VanDerWaalsContact CB-OD1 3.29Å; Y265-D268 WeakPolarHBondContact CB-OD1 3.48Å; L266-D268 VanDerWaalsContact C-N 3.34Å; L266-D268 PolarHBondContact O-N 3.3Å; D268-T270 HydrophobicContact CB-CG2 4.28Å; D268-T270 VanDerWaalsContact CG-CG2 3.47Å; D268-T270 VanDerWaalsContact CG-OG1 3.28Å; D268-T270 PolarHBondContact O-N 3.05Å; D268-T270 PolarHBondContact OD1-N 2.79Å; D268-T270 PolarHBondContact OD1-OG1 3.34Å; D268-T270 WeakPolarHBondContact OD2-CG2 3.43Å; D268-T270 PolarHBondContact OD2-OG1 2.93Å; D268-R292 IonicContact OD1-CZ 3.28Å; D268-R292 IonicContact OD1-NE 2.69Å; D268-R292 IonicContact OD1-NH2 3.84Å; D268-R292 PolarHBondContact OD1-NH2 2.92Å; D268-R292 IonicContact OD2-CZ 3.01Å; D268-R292 IonicContact OD2-NE 2.7Å; D268-R292 IonicContact OD2-NH2 2.74Å; D268-R292 PolarHBondContact OD2-NH2 2.92Å
269	D	93.7	Very high	94.9	Very high	42 Å²	42	38.6 Å²	38.6	23%	0.225	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	37.8	179.5	-64.2	-47.7	0	0	0	113.6	Q232 Y264 Y265	Q232-D269 PolarHBondContact NE2-OD2 3.32Å; Y264-D269 WeakPolarHBondContact CE1-OD1 3.45Å; Y264-D269 WeakPolarHBondContact OH-CA 3.21Å; Y264-D269 WeakPolarHBondContact OH-CB 3.41Å; Y264-D269 PolarHBondContact OH-OD1 3.27Å; Y265-D269 WeakPolarHBondContact O-CA 3.43Å; Y265-D269 PolarHBondContact O-N 3.47Å
270	T	95.7	Very high	94.7	Very high	11 Å²	11	41.8 Å²	41.8	7%	0.067	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	153.8	177.1	59.2	0	0	0	0	112.2	Y264 Y265 D268 R292 E293 R294	Y264-T270 WeakPolarHBondContact CA-O 3.39Å; Y265-T270 WeakPolarHBondContact CB-OG1 3.27Å; Y265-T270 PolarHBondContact N-O 3.36Å; D268-T270 HydrophobicContact CB-CG2 4.28Å; D268-T270 VanDerWaalsContact CG-CG2 3.47Å; D268-T270 VanDerWaalsContact CG-OG1 3.28Å; D268-T270 PolarHBondContact O-N 3.05Å; D268-T270 PolarHBondContact OD1-N 2.79Å; D268-T270 PolarHBondContact OD1-OG1 3.34Å; D268-T270 WeakPolarHBondContact OD2-CG2 3.43Å; D268-T270 PolarHBondContact OD2-OG1 2.93Å; T270-R292 HydrophobicContact CG2-CG 4.5Å; T270-R292 VanDerWaalsContact OG1-CG 3.29Å; T270-R292 WeakPolarHBondContact OG1-CG 3.34Å; T270-R292 PolarHBondContact OG1-NE 2.92Å; T270-E293 WeakPolarHBondContact CA-O 3.47Å; T270-R294 HydrophobicContact CG2-CG 3.64Å
271	L	95.5	Very high	94.4	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	140.6	179.3	-82.7	162.6	0	0	0	110.6	I262 H263 Y264 R292 E293 I295 F322 F327	I262-L271 HydrophobicContact CG2-CD2 3.63Å; H263-L271 CarbonylContact O-C 3.59Å; H263-L271 WeakPolarHBondContact O-CA 2.84Å; Y264-L271 HydrophobicContact CD2-CD1 4.33Å; Y264-L271 HydrophobicContact CD2-CD2 3.61Å; Y264-L271 HydrophobicContact CD2-CG 3.76Å; Y264-L271 HydrophobicContact CE2-CG 4.35Å; Y264-L271 HydrophobicContact CG-CD2 4.21Å; L271-R292 VanDerWaalsContact O-CA 3.31Å; L271-R292 WeakPolarHBondContact O-CA 3.47Å; L271-E293 PolarHBondContact N-O 3.1Å; L271-E293 PolarHBondContact O-N 3.03Å; L271-I295 HydrophobicContact CB-CD1 3.39Å; L271-I295 HydrophobicContact CB-CG1 3.94Å; L271-I295 HydrophobicContact CD1-CB 4.14Å; L271-I295 HydrophobicContact CD1-CD1 3.83Å; L271-I295 HydrophobicContact CD1-CG1 4.26Å; L271-I295 HydrophobicContact CG-CD1 4.25Å; L271-F322 HydrophobicContact CD1-CB 3.53Å; L271-F322 HydrophobicContact CD1-CD2 4.02Å; L271-F322 HydrophobicContact CD1-CG 3.91Å; L271-F327 HydrophobicContact CD1-CE2 4.33Å; L271-F327 HydrophobicContact CD1-CZ 3.67Å; L271-F327 HydrophobicContact CD2-CE1 4.16Å; L271-F327 HydrophobicContact CD2-CE2 4.27Å; L271-F327 HydrophobicContact CD2-CZ 3.67Å; L271-F327 HydrophobicContact CG-CZ 4.28Å
272	E	96.3	Very high	94.1	Very high	11 Å²	11	46.4 Å²	46.4	5%	0.051	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	134.5	174.3	179.7	-170.6	156.8	0	0	108.5	H263 Y265 R274 L288 R292	H263-E272 HydrophobicContact CB-CB 4.3Å; H263-E272 PolarHBondContact N-O 2.98Å; H263-E272 PolarHBondContact O-N 3.34Å; Y265-E272 HydrophobicContact CE2-CB 3.88Å; Y265-E272 VanDerWaalsContact CE2-OE2 3.29Å; Y265-E272 WeakPolarHBondContact CE2-OE2 3.25Å; Y265-E272 VanDerWaalsContact CZ-OE2 3.31Å; Y265-E272 PolarHBondContact OH-OE2 3.21Å; E272-R274 IonicContact OE1-CZ 2.91Å; E272-R274 IonicContact OE1-NE 3.81Å; E272-R274 PolarHBondContact OE1-NE 3.11Å; E272-R274 IonicContact OE1-NH2 2.65Å; E272-R274 PolarHBondContact OE1-NH2 2.9Å; E272-L288 HydrophobicContact CG-CD2 3.69Å; E272-L288 WeakPolarHBondContact OE1-CD2 3.33Å; E272-R292 HydrophobicContact CB-CB 4.11Å; E272-R292 HydrophobicContact CG-CB 4.47Å
273	I	97.1	Very high	93.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	125.3	179.6	-53.9	178.9	0	0	0	109.1	F260 I261 I262 L289 L290 I335 Y340	F260-I273 HydrophobicContact CB-CG2 4.08Å; F260-I273 HydrophobicContact CD1-CG2 4.02Å; F260-I273 HydrophobicContact CG-CG2 4.3Å; I261-I273 WeakPolarHBondContact O-CA 3.48Å; I262-I273 HydrophobicContact CG1-CG1 4.39Å; I273-L289 HydrophobicContact CB-CB 4.44Å; I273-L289 HydrophobicContact CG2-CB 4.22Å; I273-L289 HydrophobicContact CG2-CD2 4Å; I273-L289 PolarHBondContact O-N 2.75Å; I273-L290 HydrophobicContact CB-CB 3.87Å; I273-L290 HydrophobicContact CD1-CB 4.28Å; I273-L290 HydrophobicContact CD1-CD2 3.91Å; I273-L290 HydrophobicContact CG1-CB 4.08Å; I273-L290 HydrophobicContact CG1-CD2 4.2Å; I273-L290 PolarHBondContact N-O 2.91Å; I273-L290 VanDerWaalsContact N-O 3.14Å; I273-L290 PolarHBondContact O-N 2.82Å; I273-I335 HydrophobicContact CD1-CB 4.36Å; I273-I335 HydrophobicContact CD1-CD1 3.81Å; I273-I335 HydrophobicContact CD1-CG2 3.9Å; I273-Y340 HydrophobicContact CD1-CE2 4Å; I273-Y340 HydrophobicContact CG2-CE1 4.47Å
274	R	95.7	Very high	93.3	Very high	102 Å²	102	54.1 Å²	54.1	39%	0.385	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	138.3	177	-66.5	-169.3	179.6	-172.8	-0.7	111.2	F260 I261 E272 P287 L288	F260-R274 CarbonylContact C-O 3.08Å; F260-R274 VanDerWaalsContact CA-O 3.26Å; F260-R274 WeakPolarHBondContact CA-O 3.48Å; I261-R274 HydrophobicContact CB-CB 4.41Å; I261-R274 PolarHBondContact N-O 3.28Å; I261-R274 PolarHBondContact O-N 2.96Å; E272-R274 IonicContact OE1-CZ 2.91Å; E272-R274 IonicContact OE1-NE 3.81Å; E272-R274 PolarHBondContact OE1-NE 3.11Å; E272-R274 IonicContact OE1-NH2 2.65Å; E272-R274 PolarHBondContact OE1-NH2 2.9Å; R274-P287 VanDerWaalsContact CA-O 3.3Å; R274-P287 WeakPolarHBondContact CA-O 3.48Å; R274-P287 VanDerWaalsContact CB-O 3.28Å; R274-P287 WeakPolarHBondContact CB-O 2.89Å; R274-P287 WeakPolarHBondContact CG-O 3.15Å; R274-L288 HydrophobicContact CG-CD2 4.07Å
275	E	93.8	Very high	92.9	Very high	32 Å²	32	58.9 Å²	58.9	15%	0.15	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	136.5	173	-167.1	157.6	-179.4	0	0	109.6	R258 F260 R283 P287	R258-E275 IonicContact NH1-OE1 2.75Å; F260-E275 HydrophobicContact CD1-CB 3.95Å; F260-E275 HydrophobicContact CD1-CG 4.15Å; F260-E275 HydrophobicContact CE1-CB 3.66Å; F260-E275 HydrophobicContact CE1-CG 3.56Å; F260-E275 HydrophobicContact CZ-CG 4.19Å; E275-R283 WeakPolarHBondContact OE1-CD 3.38Å; E275-R283 IonicContact OE1-CZ 3.06Å; E275-R283 IonicContact OE1-NE 2.64Å; E275-R283 IonicContact OE1-NH1 3.46Å; E275-R283 PolarHBondContact OE1-NH1 2.78Å; E275-P287 PolarHBondContact N-O 3.03Å
276	I	93	Very high	92.5	Very high	60 Å²	60	63.4 Å²	63.4	31%	0.308	35%	0.35	S	S	.	.			trans	-92.9	102.8	174	-55.5	178.7	0	0	0	107.6	K259 I261	K259-I276 HydrophobicContact CB-CB 4.16Å; K259-I276 HydrophobicContact CB-CD1 4.05Å; K259-I276 HydrophobicContact CB-CG1 4.44Å; K259-I276 PolarHBondContact O-N 2.88Å; I261-I276 HydrophobicContact CD1-CD1 3.98Å; I261-I276 HydrophobicContact CD1-CG1 3.93Å; I261-I276 HydrophobicContact CG1-CD1 3.56Å; I261-I276 HydrophobicContact CG1-CG1 3.66Å
277	H	91.7	Very high	91.9	Very high	59 Å²	59	67.1 Å²	67.1	27%	0.273	37%	0.374	S	S	.	.			trans	-79.1	140.4	175.1	-70.7	-72.8	0	0	0	111.8	D281 D284 F286	H277-D281 IonicContact CE1-OD2 3.98Å; H277-D281 IonicContact CG-OD2 3.37Å; H277-D281 IonicContact ND1-OD2 3.81Å; H277-D281 PolarHBondContact ND1-OD2 3.43Å; H277-D284 PolarHBondContact CE1-O 3.03Å; H277-F286 PolarHBondContact NE2-O 3.01Å; H277-F286 VanDerWaalsContact NE2-O 3.16Å
278	T	89.3	Confident	91.7	Very high	99 Å²	99	70.8 Å²	70.8	61%	0.607	39%	0.392	S	S	*	.			trans	-108.5	157.2	170.1	54.9	0	0	0	0	110.2	N280 D281	T278-N280 PolarHBondContact O-N 3.49Å; T278-D281 WeakPolarHBondContact O-CB 3.35Å; T278-D281 PolarHBondContact O-N 3.45Å
279	V	93	Very high	91.7	Very high	132 Å²	132	70.5 Å²	70.5	80%	0.8	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	129.5	177.7	-176.2	0	0	0	0	109.5
280	N	90.5	Very high	91.7	Very high	161 Å²	161	69.7 Å²	69.7	86%	0.861	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	37	-178.2	-52.8	-36.8	0	0	0	114.5	T278 G282	T278-N280 PolarHBondContact O-N 3.49Å; N280-G282 PolarHBondContact O-N 3.34Å
281	D	89.4	Confident	91.7	Very high	49 Å²	49	77.7 Å²	77.7	26%	0.262	42%	0.415	S	S	.	.			trans	-73.7	-11.3	174.4	67.4	-1.3	0	0	0	114.4	H277 T278 R283	H277-D281 IonicContact CE1-OD2 3.98Å; H277-D281 IonicContact CG-OD2 3.37Å; H277-D281 IonicContact ND1-OD2 3.81Å; H277-D281 PolarHBondContact ND1-OD2 3.43Å; T278-D281 WeakPolarHBondContact O-CB 3.35Å; T278-D281 PolarHBondContact O-N 3.45Å; D281-R283 VanDerWaalsContact C-N 3.27Å; D281-R283 PolarHBondContact O-N 3.45Å; D281-R283 PolarHBondContact OD1-N 3.04Å
282	G	89.4	Confident	91.7	Very high	81 Å²	81	82.7 Å²	82.7	84%	0.835	43%	0.433	S	S	*	.	S	Bend	trans	76.6	9.2	179.5	0	0	0	0	0	114.4	N280	N280-G282 PolarHBondContact O-N 3.34Å
283	R	88	Confident	91.5	Very high	81 Å²	81	84.7 Å²	84.7	31%	0.306	44%	0.443	S	S	.	.	S	Bend	trans	-101.6	151.9	178.7	-67.4	171.2	173.1	-99.3	-21.2	110.6	E256 R258 E275 D281	E256-R283 IonicContact OE2-CZ 3.4Å; E256-R283 IonicContact OE2-NE 3.32Å; E256-R283 PolarHBondContact OE2-NE 3.01Å; E256-R283 IonicContact OE2-NH2 3.66Å; E256-R283 PolarHBondContact OE2-NH2 3.06Å; R258-R283 VanDerWaalsContact CD-NH2 3.29Å; E275-R283 WeakPolarHBondContact OE1-CD 3.38Å; E275-R283 IonicContact OE1-CZ 3.06Å; E275-R283 IonicContact OE1-NE 2.64Å; E275-R283 IonicContact OE1-NH1 3.46Å; E275-R283 PolarHBondContact OE1-NH1 2.78Å; D281-R283 VanDerWaalsContact C-N 3.27Å; D281-R283 PolarHBondContact O-N 3.45Å; D281-R283 PolarHBondContact OD1-N 3.04Å
284	D	90.8	Very high	91.3	Very high	106 Å²	106	88.7 Å²	88.7	57%	0.567	46%	0.458	S	S	*	.			trans	-64.9	129.1	171.8	-164	-8.1	0	0	0	108.7	H277 F286	H277-D284 PolarHBondContact CE1-O 3.03Å; D284-F286 HydrophobicContact CB-CD2 3.87Å; D284-F286 HydrophobicContact CB-CE2 4.03Å; D284-F286 PolarHBondContact O-N 3.14Å; D284-F286 WeakPolarHBondContact OD2-CE2 3.36Å
285	P	89.2	Confident	91.2	Very high	102 Å²	102	83.9 Å²	83.9	66%	0.662	44%	0.44	S	S	*	.			trans	-70	68.2	-176.2	28.9	-40.2	0	0	0	113.4
286	F	87.8	Confident	91.1	Very high	133 Å²	133	83.5 Å²	83.5	58%	0.583	44%	0.44	S	S	*	.			trans	-97.8	111.2	171.9	-76.5	-62.5	0	0	0	110.7	H277 D284 L288	H277-F286 PolarHBondContact NE2-O 3.01Å; H277-F286 VanDerWaalsContact NE2-O 3.16Å; D284-F286 HydrophobicContact CB-CD2 3.87Å; D284-F286 HydrophobicContact CB-CE2 4.03Å; D284-F286 PolarHBondContact O-N 3.14Å; D284-F286 WeakPolarHBondContact OD2-CE2 3.36Å; F286-L288 VanDerWaalsContact C-N 3.25Å; F286-L288 PolarHBondContact O-N 2.91Å
287	P	82.4	Confident	91	Very high	80 Å²	80	83.5 Å²	83.5	52%	0.519	44%	0.438	S	S	.	.			trans	-71	-18.9	-171.8	28.3	-36.1	0	0	0	114.1	R274 E275	R274-P287 VanDerWaalsContact CA-O 3.3Å; R274-P287 WeakPolarHBondContact CA-O 3.48Å; R274-P287 VanDerWaalsContact CB-O 3.28Å; R274-P287 WeakPolarHBondContact CB-O 2.89Å; R274-P287 WeakPolarHBondContact CG-O 3.15Å; E275-P287 PolarHBondContact N-O 3.03Å
288	L	91.2	Very high	90.6	Very high	86 Å²	86	84.7 Å²	84.7	45%	0.45	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	121.7	-173.2	-75.9	163.8	0	0	0	109.9	E272 R274 F286	E272-L288 HydrophobicContact CG-CD2 3.69Å; E272-L288 WeakPolarHBondContact OE1-CD2 3.33Å; R274-L288 HydrophobicContact CG-CD2 4.07Å; F286-L288 VanDerWaalsContact C-N 3.25Å; F286-L288 PolarHBondContact O-N 2.91Å
289	L	92.6	Very high	90.1	Very high	52 Å²	52	87.6 Å²	87.6	27%	0.272	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	-43.7	168.8	-172.3	77.3	0	0	0	110.9	F260 I273 Y340	F260-L289 HydrophobicContact CD1-CB 4.48Å; F260-L289 HydrophobicContact CD1-CD2 3.93Å; F260-L289 HydrophobicContact CE1-CB 4.27Å; F260-L289 HydrophobicContact CE1-CD1 4.16Å; F260-L289 HydrophobicContact CE1-CD2 3.55Å; F260-L289 HydrophobicContact CE1-CG 4.2Å; F260-L289 HydrophobicContact CZ-CD2 4.08Å; I273-L289 HydrophobicContact CB-CB 4.44Å; I273-L289 HydrophobicContact CG2-CB 4.22Å; I273-L289 HydrophobicContact CG2-CD2 4Å; I273-L289 PolarHBondContact O-N 2.75Å; L289-Y340 HydrophobicContact CD2-CE1 4.44Å; L289-Y340 WeakPolarHBondContact CD2-OH 3.16Å
290	L	94.2	Very high	89.4	Confident	26 Å²	26	88.6 Å²	88.6	14%	0.136	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	124.5	179.8	-173.8	62.2	0	0	0	109.6	I273 I295 I335 L336	I273-L290 HydrophobicContact CB-CB 3.87Å; I273-L290 HydrophobicContact CD1-CB 4.28Å; I273-L290 HydrophobicContact CD1-CD2 3.91Å; I273-L290 HydrophobicContact CG1-CB 4.08Å; I273-L290 HydrophobicContact CG1-CD2 4.2Å; I273-L290 PolarHBondContact N-O 2.91Å; I273-L290 VanDerWaalsContact N-O 3.14Å; I273-L290 PolarHBondContact O-N 2.82Å; L290-I295 HydrophobicContact CD2-CD1 3.26Å; L290-I295 HydrophobicContact CD2-CG1 4.2Å; L290-I295 HydrophobicContact CG-CD1 4.46Å; L290-I335 HydrophobicContact CD2-CG2 3.97Å; L290-L336 HydrophobicContact CD1-CD1 3.67Å; L290-L336 HydrophobicContact CD2-CD1 3.98Å
291	R	94.4	Very high	88.9	Confident	179 Å²	179	84 Å²	84	68%	0.675	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.2	155.8	175.7	70.6	179.1	-174.4	175.2	1.4	110.7	E293	R291-E293 IonicContact CZ-OE2 3.57Å; R291-E293 VanDerWaalsContact CZ-OE2 3.31Å; R291-E293 IonicContact NE-OE2 3.27Å; R291-E293 PolarHBondContact NE-OE2 3.17Å; R291-E293 IonicContact NH2-OE2 3.81Å; R291-E293 PolarHBondContact NH2-OE2 3.14Å; R291-E293 PolarHBondContact O-N 3.26Å; R291-E293 VanDerWaalsContact O-N 3.12Å
292	R	95.3	Very high	88.4	Confident	105 Å²	105	83.8 Å²	83.8	40%	0.396	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	110.5	176.2	-175.5	178.4	170.2	178.7	-5.4	110.9	Y265 D268 T270 L271 E272	Y265-R292 HydrophobicContact CD2-CG 3.92Å; Y265-R292 VanDerWaalsContact CE1-NH1 3.35Å; Y265-R292 VanDerWaalsContact CE2-CD 3.49Å; Y265-R292 HydrophobicContact CE2-CG 3.88Å; D268-R292 IonicContact OD1-CZ 3.28Å; D268-R292 IonicContact OD1-NE 2.69Å; D268-R292 IonicContact OD1-NH2 3.84Å; D268-R292 PolarHBondContact OD1-NH2 2.92Å; D268-R292 IonicContact OD2-CZ 3.01Å; D268-R292 IonicContact OD2-NE 2.7Å; D268-R292 IonicContact OD2-NH2 2.74Å; D268-R292 PolarHBondContact OD2-NH2 2.92Å; T270-R292 HydrophobicContact CG2-CG 4.5Å; T270-R292 VanDerWaalsContact OG1-CG 3.29Å; T270-R292 WeakPolarHBondContact OG1-CG 3.34Å; T270-R292 PolarHBondContact OG1-NE 2.92Å; L271-R292 VanDerWaalsContact O-CA 3.31Å; L271-R292 WeakPolarHBondContact O-CA 3.47Å; E272-R292 HydrophobicContact CB-CB 4.11Å; E272-R292 HydrophobicContact CG-CB 4.47Å
293	E	93.7	Very high	87.9	Confident	53 Å²	53	82.9 Å²	82.9	25%	0.248	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	164	176.4	66.5	-173.8	-170.4	0	0	111.9	T270 L271 R291 I295	T270-E293 WeakPolarHBondContact CA-O 3.47Å; L271-E293 PolarHBondContact N-O 3.1Å; L271-E293 PolarHBondContact O-N 3.03Å; R291-E293 IonicContact CZ-OE2 3.57Å; R291-E293 VanDerWaalsContact CZ-OE2 3.31Å; R291-E293 IonicContact NE-OE2 3.27Å; R291-E293 PolarHBondContact NE-OE2 3.17Å; R291-E293 IonicContact NH2-OE2 3.81Å; R291-E293 PolarHBondContact NH2-OE2 3.14Å; R291-E293 PolarHBondContact O-N 3.26Å; R291-E293 VanDerWaalsContact O-N 3.12Å; E293-I295 HydrophobicContact CG-CG1 4.21Å; E293-I295 PolarHBondContact O-N 3.31Å
294	R	92.5	Very high	87.6	Confident	84 Å²	84	88.9 Å²	88.9	32%	0.317	44%	0.44	S	S	.	.			trans	-78.4	115.8	172.7	-63	-175.4	68.9	-163.3	2	108.4	T270 E315 Y321	T270-R294 HydrophobicContact CG2-CG 3.64Å; R294-E315 IonicContact CZ-OE1 2.93Å; R294-E315 IonicContact NH1-OE1 2.75Å; R294-E315 PolarHBondContact NH1-OE1 2.87Å; R294-E315 IonicContact NH1-OE2 3.82Å; R294-Y321 HydrophobicContact CB-CD1 3.68Å; R294-Y321 HydrophobicContact CB-CE1 3.67Å; R294-Y321 WeakPolarHBondContact O-CE1 3.37Å
295	I	93.1	Very high	87.2	Confident	1 Å²	1	89.1 Å²	89.1	1%	0.005	45%	0.45	C	S	.	.			trans	-96	127.3	-173.6	-57.9	175	0	0	0	110.3	L271 L290 E293 Y321 F322 I335 L336	L271-I295 HydrophobicContact CB-CD1 3.39Å; L271-I295 HydrophobicContact CB-CG1 3.94Å; L271-I295 HydrophobicContact CD1-CB 4.14Å; L271-I295 HydrophobicContact CD1-CD1 3.83Å; L271-I295 HydrophobicContact CD1-CG1 4.26Å; L271-I295 HydrophobicContact CG-CD1 4.25Å; L290-I295 HydrophobicContact CD2-CD1 3.26Å; L290-I295 HydrophobicContact CD2-CG1 4.2Å; L290-I295 HydrophobicContact CG-CD1 4.46Å; E293-I295 HydrophobicContact CG-CG1 4.21Å; E293-I295 PolarHBondContact O-N 3.31Å; I295-Y321 WeakPolarHBondContact O-CD1 3.47Å; I295-F322 HydrophobicContact CB-CD2 3.94Å; I295-F322 HydrophobicContact CB-CE2 4.48Å; I295-F322 HydrophobicContact CG2-CD2 3.77Å; I295-F322 HydrophobicContact CG2-CE2 3.8Å; I295-F322 WeakPolarHBondContact O-CD2 3.28Å; I295-F322 PolarHBondContact O-N 3.23Å; I295-F322 VanDerWaalsContact O-N 3.14Å; I295-I335 HydrophobicContact CD1-CG2 3.75Å; I295-I335 HydrophobicContact CG2-CG2 4.09Å; I295-L336 HydrophobicContact CG2-CD2 4.38Å; I295-L336 HydrophobicContact CG2-CG 4.47Å
296	P	91.6	Very high	86.9	Confident	25 Å²	25	85.3 Å²	85.3	16%	0.162	42%	0.423	C	S	.	.	B	Isolated β-bridge	trans	-71.1	139.7	173.3	29.6	-33.9	0	0	0	110.8	C298 R299 V318	P296-C298 VanDerWaalsContact C-N 3.34Å; P296-R299 HydrophobicContact CG-CB 4.45Å; P296-V318 HydrophobicContact CB-CG1 3.66Å; P296-V318 HydrophobicContact CB-CG2 4.25Å
297	K	90.5	Very high	86.7	Confident	59 Å²	59	81.6 Å²	81.6	26%	0.257	41%	0.412	S	S	.	.	S	Bend	trans	-65.4	-39.1	174.9	-64.1	-170.2	-169.4	-176	0	112.2	E320 Y321 F322 D326	K297-E320 HydrophobicContact CD-CB 4.26Å; K297-E320 HydrophobicContact CG-CB 4.48Å; K297-E320 PolarHBondContact N-O 3.15Å; K297-E320 IonicContact NZ-OE2 3.62Å; K297-Y321 WeakPolarHBondContact CE-O 3.34Å; K297-F322 HydrophobicContact CB-CZ 4.42Å; K297-F322 HydrophobicContact CG-CD1 4.08Å; K297-F322 HydrophobicContact CG-CD2 4.25Å; K297-F322 HydrophobicContact CG-CE1 4.13Å; K297-F322 HydrophobicContact CG-CE2 4.31Å; K297-F322 HydrophobicContact CG-CG 4.13Å; K297-F322 HydrophobicContact CG-CZ 4.24Å; K297-D326 VanDerWaalsContact CE-CG 3.46Å; K297-D326 WeakPolarHBondContact CE-OD1 3.36Å; K297-D326 WeakPolarHBondContact CE-OD2 3.2Å; K297-D326 IonicContact NZ-OD1 2.75Å; K297-D326 PolarHBondContact NZ-OD1 2.62Å; K297-D326 IonicContact NZ-OD2 3.37Å; K297-D326 PolarHBondContact NZ-OD2 2.99Å
298	C	84.3	Confident	86.7	Confident	85 Å²	85	81.2 Å²	81.2	57%	0.574	41%	0.412	S	S	*	.			trans	-133	106.1	179.2	-62.4	0	0	0	0	109	P296 D300	P296-C298 VanDerWaalsContact C-N 3.34Å; C298-D300 VanDerWaalsContact C-N 3.3Å
299	R	78.1	Confident	86.3	Confident	159 Å²	159	85.3 Å²	85.3	60%	0.6	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-23.8	177.6	-170	178.1	174.9	-172.2	-0.6	112.4	P296 T301 I302 I313	P296-R299 HydrophobicContact CG-CB 4.45Å; R299-T301 VanDerWaalsContact C-N 3.31Å; R299-T301 PolarHBondContact O-N 2.89Å; R299-I302 WeakPolarHBondContact O-CD1 3.43Å; R299-I302 WeakPolarHBondContact O-CG1 3.21Å; R299-I313 HydrophobicContact CG-CD1 4.06Å
300	D	78.5	Confident	85.9	Confident	154 Å²	154	87.3 Å²	87.3	82%	0.824	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-11.2	-172.3	-52.9	-40.4	0	0	0	113.5	C298 I302	C298-D300 VanDerWaalsContact C-N 3.3Å; D300-I302 PolarHBondContact O-N 3.06Å
301	T	80.3	Confident	85.5	Confident	65 Å²	65	90.6 Å²	90.6	40%	0.399	47%	0.466	S	S	.	.			trans	-87.7	48.3	-177.4	-42.6	0	0	0	0	112	R299 K319	R299-T301 VanDerWaalsContact C-N 3.31Å; R299-T301 PolarHBondContact O-N 2.89Å; T301-K319 HydrophobicContact CG2-CD 3.86Å
302	I	77.6	Confident	85	Confident	43 Å²	43	90.3 Å²	90.3	22%	0.221	47%	0.473	C	S	.	.			trans	-89.3	138.5	177.6	-57.6	159.2	0	0	0	108.5	R299 D300 Q304 F306 I313	R299-I302 WeakPolarHBondContact O-CD1 3.43Å; R299-I302 WeakPolarHBondContact O-CG1 3.21Å; D300-I302 PolarHBondContact O-N 3.06Å; I302-Q304 PolarHBondContact O-N 3.5Å; I302-F306 HydrophobicContact CG2-CB 3.67Å; I302-F306 HydrophobicContact CG2-CD1 3.84Å; I302-F306 HydrophobicContact CG2-CG 4.01Å; I302-I313 HydrophobicContact CD1-CD1 3.41Å; I302-I313 VanDerWaalsContact CD1-CD1 3.41Å; I302-I313 HydrophobicContact CD1-CG1 4Å; I302-I313 HydrophobicContact CG1-CD1 4.15Å
303	P	80.5	Confident	84.4	Confident	63 Å²	63	88 Å²	88	41%	0.409	47%	0.467	S	S	.	.			trans	-55.3	133.3	171.5	-23.5	33.5	0	0	0	111.2	S305 F306	P303-S305 PolarHBondContact O-N 3.04Å; P303-F306 WeakPolarHBondContact O-CB 3.45Å; P303-F306 PolarHBondContact O-N 3.01Å
304	Q	80.2	Confident	83.8	Confident	207 Å²	207	88.5 Å²	88.5	97%	0.967	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-21.2	179.7	-69	-179	-2.3	0	0	113.5	I302 F306	I302-Q304 PolarHBondContact O-N 3.5Å; Q304-F306 VanDerWaalsContact C-N 3.27Å; Q304-F306 PolarHBondContact O-N 3.13Å
305	S	82.8	Confident	83.2	Confident	111 Å²	111	88.9 Å²	88.9	78%	0.776	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-12.2	176.4	58	0	0	0	0	114.2	P303	P303-S305 PolarHBondContact O-N 3.04Å
306	F	82.4	Confident	82.6	Confident	21 Å²	21	96 Å²	96	9%	0.092	52%	0.518	C	S	.	.	S	Bend	trans	-81.7	124.5	-176.9	-175.8	-99.6	0	0	0	111.1	I302 P303 Q304 S308 M311 E312 I313 E317	I302-F306 HydrophobicContact CG2-CB 3.67Å; I302-F306 HydrophobicContact CG2-CD1 3.84Å; I302-F306 HydrophobicContact CG2-CG 4.01Å; P303-F306 WeakPolarHBondContact O-CB 3.45Å; P303-F306 PolarHBondContact O-N 3.01Å; Q304-F306 VanDerWaalsContact C-N 3.27Å; Q304-F306 PolarHBondContact O-N 3.13Å; F306-S308 VanDerWaalsContact C-N 3.31Å; F306-S308 PolarHBondContact O-N 3.18Å; F306-M311 HydrophobicContact CD2-CE 4.03Å; F306-M311 HydrophobicContact CE1-CB 4.18Å; F306-M311 WeakPolarHBondContact CE1-O 3.12Å; F306-M311 HydrophobicContact CE2-CB 4.08Å; F306-M311 HydrophobicContact CE2-CE 3.64Å; F306-M311 HydrophobicContact CZ-CB 3.54Å; F306-M311 HydrophobicContact CZ-CE 4.28Å; F306-E312 WeakPolarHBondContact CZ-O 3.12Å; F306-I313 HydrophobicContact CE1-CG1 4.23Å; F306-E317 HydrophobicContact CD2-CG 3.47Å; F306-E317 VanDerWaalsContact CD2-CG 3.47Å; F306-E317 VanDerWaalsContact CE2-CD 3.44Å; F306-E317 HydrophobicContact CE2-CG 3.67Å; F306-E317 WeakPolarHBondContact CE2-OE1 3.38Å; F306-E317 HydrophobicContact CG-CG 3.99Å; F306-E317 HydrophobicContact CZ-CG 4.35Å
307	P	84.2	Confident	82.2	Confident	55 Å²	55	96.7 Å²	96.7	36%	0.357	52%	0.519	S	S	.	.			trans	-79.2	76.4	-178.8	33.8	-36.7	0	0	0	111.5	I309 S310 M311	P307-I309 PolarHBondContact O-N 3.44Å; P307-S310 PolarHBondContact O-N 3.48Å; P307-S310 VanDerWaalsContact O-N 3.07Å; P307-S310 PolarHBondContact O-OG 2.84Å; P307-M311 VanDerWaalsContact CD-CE 3.41Å; P307-M311 HydrophobicContact CG-CB 4.49Å; P307-M311 HydrophobicContact CG-CE 3.26Å; P307-M311 HydrophobicContact CG-CG 4.09Å; P307-M311 HydrophobicContact CG-SD 4.32Å; P307-M311 PolarHBondContact O-N 2.88Å
308	S	81.7	Confident	81.9	Confident	73 Å²	73	95 Å²	95	51%	0.51	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-18.9	-179	-58.5	0	0	0	0	115	F306	F306-S308 VanDerWaalsContact C-N 3.31Å; F306-S308 PolarHBondContact O-N 3.18Å
309	I	83	Confident	81.7	Confident	172 Å²	172	98.6 Å²	98.6	88%	0.882	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-28	178.1	-165.4	164.8	0	0	0	112.9	P307	P307-I309 PolarHBondContact O-N 3.44Å
310	S	85.9	Confident	82.3	Confident	93 Å²	93	96.8 Å²	96.8	65%	0.65	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	-17.7	-173.9	58.3	0	0	0	0	113.8	P307	P307-S310 PolarHBondContact O-N 3.48Å; P307-S310 VanDerWaalsContact O-N 3.07Å; P307-S310 PolarHBondContact O-OG 2.84Å
311	M	85.5	Confident	83	Confident	95 Å²	95	91.5 Å²	91.5	47%	0.468	49%	0.486	S	S	.	.	S	Bend	trans	-122.6	137.5	-178.9	-62.9	-157.2	-63.7	0	0	111.6	F306 P307	F306-M311 HydrophobicContact CD2-CE 4.03Å; F306-M311 HydrophobicContact CE1-CB 4.18Å; F306-M311 WeakPolarHBondContact CE1-O 3.12Å; F306-M311 HydrophobicContact CE2-CB 4.08Å; F306-M311 HydrophobicContact CE2-CE 3.64Å; F306-M311 HydrophobicContact CZ-CB 3.54Å; F306-M311 HydrophobicContact CZ-CE 4.28Å; P307-M311 VanDerWaalsContact CD-CE 3.41Å; P307-M311 HydrophobicContact CG-CB 4.49Å; P307-M311 HydrophobicContact CG-CE 3.26Å; P307-M311 HydrophobicContact CG-CG 4.09Å; P307-M311 HydrophobicContact CG-SD 4.32Å; P307-M311 PolarHBondContact O-N 2.88Å
312	E	83.1	Confident	83.6	Confident	174 Å²	174	89.2 Å²	89.2	81%	0.813	47%	0.471	S	S	*	.			trans	-75	142.9	168.8	-64.6	-174.7	174.8	0	0	110.1	F306 T314	F306-E312 WeakPolarHBondContact CZ-O 3.12Å; E312-T314 PolarHBondContact O-N 3.33Å
313	I	82.9	Confident	84.4	Confident	55 Å²	55	88.8 Å²	88.8	28%	0.282	47%	0.472	S	S	.	.			trans	-64.4	122.3	179.7	-55	166.6	0	0	0	108.4	R299 I302 F306 E317 V318	R299-I313 HydrophobicContact CG-CD1 4.06Å; I302-I313 HydrophobicContact CD1-CD1 3.41Å; I302-I313 VanDerWaalsContact CD1-CD1 3.41Å; I302-I313 HydrophobicContact CD1-CG1 4Å; I302-I313 HydrophobicContact CG1-CD1 4.15Å; F306-I313 HydrophobicContact CE1-CG1 4.23Å; I313-E317 HydrophobicContact CG2-CB 3.93Å; I313-V318 HydrophobicContact CG2-CG2 3.57Å
314	T	82.2	Confident	85	Confident	65 Å²	65	86.6 Å²	86.6	40%	0.399	46%	0.457	S	S	.	.			trans	-99.7	176.7	178.4	76	0	0	0	0	111.4	E312 N316 E317	E312-T314 PolarHBondContact O-N 3.33Å; T314-N316 PolarHBondContact O-N 3.31Å; T314-N316 PolarHBondContact OG1-N 2.94Å; T314-E317 VanDerWaalsContact CA-OE2 3.25Å; T314-E317 WeakPolarHBondContact CA-OE2 3.17Å; T314-E317 VanDerWaalsContact CB-OE2 3.3Å; T314-E317 WeakPolarHBondContact CB-OE2 3.48Å; T314-E317 PolarHBondContact N-OE2 2.71Å; T314-E317 PolarHBondContact O-N 3.32Å; T314-E317 PolarHBondContact OG1-OE2 2.74Å
315	E	79.7	Confident	85.6	Confident	92 Å²	92	83.2 Å²	83.2	43%	0.43	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-19.9	177.8	-59.6	-169.2	148.6	0	0	113	K229 R294 Y321	K229-E315 IonicContact NZ-OE1 3.81Å; K229-E315 IonicContact NZ-OE2 3.11Å; K229-E315 PolarHBondContact NZ-OE2 3.06Å; R294-E315 IonicContact CZ-OE1 2.93Å; R294-E315 IonicContact NH1-OE1 2.75Å; R294-E315 PolarHBondContact NH1-OE1 2.87Å; R294-E315 IonicContact NH1-OE2 3.82Å; E315-Y321 WeakPolarHBondContact CA-OH 3.48Å
316	N	79.9	Confident	86.1	Confident	150 Å²	150	79.5 Å²	79.5	80%	0.802	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-31	-177.3	-62.6	-30	0	0	0	113.2	T314	T314-N316 PolarHBondContact O-N 3.31Å; T314-N316 PolarHBondContact OG1-N 2.94Å
317	E	82.6	Confident	86.7	Confident	40 Å²	40	78.5 Å²	78.5	19%	0.187	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-23.1	-178.7	-65.6	77.7	-155.8	0	0	112.7	F306 I313 T314	F306-E317 HydrophobicContact CD2-CG 3.47Å; F306-E317 VanDerWaalsContact CD2-CG 3.47Å; F306-E317 VanDerWaalsContact CE2-CD 3.44Å; F306-E317 HydrophobicContact CE2-CG 3.67Å; F306-E317 WeakPolarHBondContact CE2-OE1 3.38Å; F306-E317 HydrophobicContact CG-CG 3.99Å; F306-E317 HydrophobicContact CZ-CG 4.35Å; I313-E317 HydrophobicContact CG2-CB 3.93Å; T314-E317 VanDerWaalsContact CA-OE2 3.25Å; T314-E317 WeakPolarHBondContact CA-OE2 3.17Å; T314-E317 VanDerWaalsContact CB-OE2 3.3Å; T314-E317 WeakPolarHBondContact CB-OE2 3.48Å; T314-E317 PolarHBondContact N-OE2 2.71Å; T314-E317 PolarHBondContact O-N 3.32Å; T314-E317 PolarHBondContact OG1-OE2 2.74Å
318	V	83.5	Confident	87	Confident	23 Å²	23	79 Å²	79	14%	0.139	40%	0.404	C	S	.	.			trans	-81.1	122.2	180	-180	0	0	0	0	110.5	P296 I313 Y321	P296-V318 HydrophobicContact CB-CG1 3.66Å; P296-V318 HydrophobicContact CB-CG2 4.25Å; I313-V318 HydrophobicContact CG2-CG2 3.57Å; V318-Y321 HydrophobicContact CB-CE1 4.33Å; V318-Y321 HydrophobicContact CB-CE2 3.72Å; V318-Y321 WeakPolarHBondContact CB-OH 3.46Å; V318-Y321 HydrophobicContact CG1-CD1 4.24Å; V318-Y321 HydrophobicContact CG1-CD2 3.92Å; V318-Y321 HydrophobicContact CG1-CE1 3.91Å; V318-Y321 HydrophobicContact CG1-CE2 3.56Å; V318-Y321 HydrophobicContact CG1-CG 4.25Å; V318-Y321 HydrophobicContact CG2-CE1 4.37Å; V318-Y321 HydrophobicContact CG2-CE2 4.5Å; V318-Y321 WeakPolarHBondContact CG2-OH 3.26Å
319	K	82.1	Confident	87.6	Confident	161 Å²	161	77.4 Å²	77.4	70%	0.7	39%	0.39	S	S	*	.	S	Bend	trans	-72.2	-48	177	-65.4	-175.9	180	-179.6	0	113	T301	T301-K319 HydrophobicContact CG2-CD 3.86Å
320	E	89.8	Confident	88	Confident	121 Å²	121	71.1 Å²	71.1	57%	0.565	37%	0.367	S	S	*	.			trans	-141.7	130.3	-172.8	-67.7	-173.7	-164.6	0	0	111.7	K297	K297-E320 HydrophobicContact CD-CB 4.26Å; K297-E320 HydrophobicContact CG-CB 4.48Å; K297-E320 PolarHBondContact N-O 3.15Å; K297-E320 IonicContact NZ-OE2 3.62Å
321	Y	92.5	Very high	88.3	Confident	42 Å²	42	70.5 Å²	70.5	17%	0.165	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-98.5	156.9	170	-70.5	-84.5	0	0	0	110.3	R294 I295 K297 E315 V318 S323	R294-Y321 HydrophobicContact CB-CD1 3.68Å; R294-Y321 HydrophobicContact CB-CE1 3.67Å; R294-Y321 WeakPolarHBondContact O-CE1 3.37Å; I295-Y321 WeakPolarHBondContact O-CD1 3.47Å; K297-Y321 WeakPolarHBondContact CE-O 3.34Å; E315-Y321 WeakPolarHBondContact CA-OH 3.48Å; V318-Y321 HydrophobicContact CB-CE1 4.33Å; V318-Y321 HydrophobicContact CB-CE2 3.72Å; V318-Y321 WeakPolarHBondContact CB-OH 3.46Å; V318-Y321 HydrophobicContact CG1-CD1 4.24Å; V318-Y321 HydrophobicContact CG1-CD2 3.92Å; V318-Y321 HydrophobicContact CG1-CE1 3.91Å; V318-Y321 HydrophobicContact CG1-CE2 3.56Å; V318-Y321 HydrophobicContact CG1-CG 4.25Å; V318-Y321 HydrophobicContact CG2-CE1 4.37Å; V318-Y321 HydrophobicContact CG2-CE2 4.5Å; V318-Y321 WeakPolarHBondContact CG2-OH 3.26Å; Y321-S323 PolarHBondContact O-N 3.26Å
322	F	94.4	Very high	88.8	Confident	18 Å²	18	69.5 Å²	69.5	8%	0.079	36%	0.356	C	S	.	.			trans	-57.9	139.5	168.7	-78.2	-76.5	0	0	0	110.9	Y264 L271 I295 K297 D326 F327 V333 N334 I335	Y264-F322 PolarHBondContact OH-O 3.48Å; L271-F322 HydrophobicContact CD1-CB 3.53Å; L271-F322 HydrophobicContact CD1-CD2 4.02Å; L271-F322 HydrophobicContact CD1-CG 3.91Å; I295-F322 HydrophobicContact CB-CD2 3.94Å; I295-F322 HydrophobicContact CB-CE2 4.48Å; I295-F322 HydrophobicContact CG2-CD2 3.77Å; I295-F322 HydrophobicContact CG2-CE2 3.8Å; I295-F322 WeakPolarHBondContact O-CD2 3.28Å; I295-F322 PolarHBondContact O-N 3.23Å; I295-F322 VanDerWaalsContact O-N 3.14Å; K297-F322 HydrophobicContact CB-CZ 4.42Å; K297-F322 HydrophobicContact CG-CD1 4.08Å; K297-F322 HydrophobicContact CG-CD2 4.25Å; K297-F322 HydrophobicContact CG-CE1 4.13Å; K297-F322 HydrophobicContact CG-CE2 4.31Å; K297-F322 HydrophobicContact CG-CG 4.13Å; K297-F322 HydrophobicContact CG-CZ 4.24Å; F322-D326 HydrophobicContact CD1-CB 3.88Å; F322-D326 HydrophobicContact CE1-CB 4.45Å; F322-F327 HydrophobicContact CB-CE2 4.06Å; F322-F327 HydrophobicContact CB-CZ 4.09Å; F322-F327 HydrophobicContact CD1-CE2 4.27Å; F322-F327 AromaticContact CD1-CZ 3.97Å; F322-F327 HydrophobicContact CD1-CZ 3.97Å; F322-F327 HydrophobicContact CG-CE2 4.49Å; F322-F327 HydrophobicContact CG-CZ 4.16Å; F322-V333 HydrophobicContact CD1-CG1 4.2Å; F322-V333 HydrophobicContact CE1-CG1 3.48Å; F322-V333 VanDerWaalsContact CE1-CG1 3.48Å; F322-V333 HydrophobicContact CZ-CG1 3.96Å; F322-N334 WeakPolarHBondContact CZ-O 3.26Å; F322-I335 HydrophobicContact CE2-CG1 4.24Å; F322-I335 HydrophobicContact CZ-CG1 4.24Å
323	S	93.4	Very high	89.3	Confident	34 Å²	34	61.6 Å²	61.6	24%	0.238	32%	0.32	C	S	.	.			trans	-123.8	165.3	176.8	71.2	0	0	0	0	109.2	Y321 K325 D326 F327	Y321-S323 PolarHBondContact O-N 3.26Å; S323-K325 PolarHBondContact O-N 3.05Å; S323-K325 PolarHBondContact OG-N 2.95Å; S323-D326 PolarHBondContact N-OD2 2.79Å; S323-D326 WeakPolarHBondContact O-CB 3.44Å; S323-D326 PolarHBondContact O-N 2.72Å; S323-D326 PolarHBondContact OG-OD2 3.39Å; S323-F327 VanDerWaalsContact O-CD2 3.26Å; S323-F327 WeakPolarHBondContact O-CD2 3.16Å; S323-F327 WeakPolarHBondContact O-CE2 3.49Å
324	P	93.7	Very high	89.8	Confident	16 Å²	16	62.9 Å²	62.9	10%	0.104	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-56.9	-28.5	175.7	-25	37	0	0	0	112.2	L241 Y264 L266 D326 F327 W352 Y353 F357	L241-P324 HydrophobicContact CD1-CB 3.85Å; L241-P324 HydrophobicContact CD1-CG 4.18Å; Y264-P324 HydrophobicContact CD1-CG 4.11Å; Y264-P324 HydrophobicContact CE1-CG 3.57Å; Y264-P324 WeakPolarHBondContact OH-CD 3.37Å; L266-P324 HydrophobicContact CD2-CG 3.85Å; P324-D326 PolarHBondContact O-N 3.34Å; P324-F327 PolarHBondContact O-N 3.05Å; P324-W352 HydrophobicContact CB-CH2 3.67Å; P324-W352 HydrophobicContact CB-CZ3 3.63Å; P324-W352 HydrophobicContact CG-CH2 3.83Å; P324-W352 HydrophobicContact CG-CZ3 4.28Å; P324-Y353 PolarHBondContact O-OH 2.96Å; P324-F357 HydrophobicContact CB-CE2 4.06Å; P324-F357 HydrophobicContact CB-CZ 4.19Å
325	K	92.9	Very high	90.4	Very high	137 Å²	137	59.9 Å²	59.9	60%	0.596	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-63.3	-16	178.2	-62	177.9	179.4	179.2	0	113.9	S323 H328 F357	S323-K325 PolarHBondContact O-N 3.05Å; S323-K325 PolarHBondContact OG-N 2.95Å; K325-H328 PolarHBondContact O-CE1 3.01Å; K325-F357 HydrophobicContact CB-CZ 4.41Å; K325-F357 HydrophobicContact CD-CE1 4.14Å; K325-F357 HydrophobicContact CD-CZ 4.41Å; K325-F357 HydrophobicContact CG-CD1 4.43Å; K325-F357 HydrophobicContact CG-CE1 3.48Å; K325-F357 VanDerWaalsContact CG-CE1 3.48Å; K325-F357 HydrophobicContact CG-CE2 4.24Å; K325-F357 HydrophobicContact CG-CZ 3.36Å
326	D	93.2	Very high	90.9	Very high	32 Å²	32	59.5 Å²	59.5	17%	0.171	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-89.1	-5.8	-177.1	-57.5	-65.9	0	0	0	113.2	K297 F322 S323 P324 Q331	K297-D326 VanDerWaalsContact CE-CG 3.46Å; K297-D326 WeakPolarHBondContact CE-OD1 3.36Å; K297-D326 WeakPolarHBondContact CE-OD2 3.2Å; K297-D326 IonicContact NZ-OD1 2.75Å; K297-D326 PolarHBondContact NZ-OD1 2.62Å; K297-D326 IonicContact NZ-OD2 3.37Å; K297-D326 PolarHBondContact NZ-OD2 2.99Å; F322-D326 HydrophobicContact CD1-CB 3.88Å; F322-D326 HydrophobicContact CE1-CB 4.45Å; S323-D326 PolarHBondContact N-OD2 2.79Å; S323-D326 WeakPolarHBondContact O-CB 3.44Å; S323-D326 PolarHBondContact O-N 2.72Å; S323-D326 PolarHBondContact OG-OD2 3.39Å; P324-D326 PolarHBondContact O-N 3.34Å; D326-Q331 PolarHBondContact O-OE1 3.03Å
327	F	94.3	Very high	91.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.303	C	S	.	.			trans	-112.4	110.7	-176.6	-57.9	-89.4	0	0	0	110.8	F243 I262 Y264 L271 F322 S323 P324 V333 I335 I342 Y353	F243-F327 HydrophobicContact CD1-CB 4.27Å; F243-F327 HydrophobicContact CD2-CB 4.3Å; F243-F327 HydrophobicContact CD2-CD1 4.34Å; F243-F327 HydrophobicContact CD2-CG 4.4Å; F243-F327 HydrophobicContact CE1-CB 3.78Å; F243-F327 HydrophobicContact CE2-CB 3.81Å; F243-F327 HydrophobicContact CE2-CD1 4.41Å; F243-F327 HydrophobicContact CE2-CG 4.03Å; F243-F327 HydrophobicContact CZ-CB 3.54Å; F243-F327 HydrophobicContact CZ-CG 4.26Å; I262-F327 HydrophobicContact CG2-CE1 4.12Å; Y264-F327 HydrophobicContact CD2-CD2 4.35Å; Y264-F327 AromaticContact CD2-CE2 3.74Å; Y264-F327 HydrophobicContact CD2-CE2 3.74Å; Y264-F327 HydrophobicContact CD2-CZ 4.4Å; Y264-F327 HydrophobicContact CE2-CE2 4.16Å; L271-F327 HydrophobicContact CD1-CE2 4.33Å; L271-F327 HydrophobicContact CD1-CZ 3.67Å; L271-F327 HydrophobicContact CD2-CE1 4.16Å; L271-F327 HydrophobicContact CD2-CE2 4.27Å; L271-F327 HydrophobicContact CD2-CZ 3.67Å; L271-F327 HydrophobicContact CG-CZ 4.28Å; F322-F327 HydrophobicContact CB-CE2 4.06Å; F322-F327 HydrophobicContact CB-CZ 4.09Å; F322-F327 HydrophobicContact CD1-CE2 4.27Å; F322-F327 AromaticContact CD1-CZ 3.97Å; F322-F327 HydrophobicContact CD1-CZ 3.97Å; F322-F327 HydrophobicContact CG-CE2 4.49Å; F322-F327 HydrophobicContact CG-CZ 4.16Å; S323-F327 VanDerWaalsContact O-CD2 3.26Å; S323-F327 WeakPolarHBondContact O-CD2 3.16Å; S323-F327 WeakPolarHBondContact O-CE2 3.49Å; P324-F327 PolarHBondContact O-N 3.05Å; F327-V333 HydrophobicContact CD1-CG2 4.14Å; F327-V333 HydrophobicContact CE1-CG1 4.07Å; F327-V333 HydrophobicContact CE1-CG2 4.34Å; F327-I335 HydrophobicContact CE1-CD1 4.48Å; F327-I342 HydrophobicContact CB-CD1 4Å; F327-I342 HydrophobicContact CD1-CD1 3.72Å; F327-I342 HydrophobicContact CG-CD1 4.35Å; F327-Y353 VanDerWaalsContact O-CE1 3.24Å; F327-Y353 WeakPolarHBondContact O-CE1 3.28Å; F327-Y353 PolarHBondContact O-OH 3.42Å
328	H	91.6	Very high	91.9	Very high	65 Å²	65	58.4 Å²	58.4	30%	0.301	31%	0.312	S	S	.	.			trans	-133.3	151.1	174	-62.1	94.3	0	0	0	110.5	K325 G330 Q331 I342	K325-H328 PolarHBondContact O-CE1 3.01Å; H328-G330 PolarHBondContact O-N 2.93Å; H328-Q331 HydrophobicContact CB-CB 4.17Å; H328-Q331 PolarHBondContact ND1-OE1 2.85Å; H328-Q331 WeakPolarHBondContact O-CB 3.24Å; H328-Q331 PolarHBondContact O-N 3.39Å; H328-Q331 VanDerWaalsContact O-N 3.15Å; H328-I342 WeakPolarHBondContact O-CB 3.21Å
329	I	93.8	Very high	92.4	Very high	41 Å²	41	64.6 Å²	64.6	21%	0.21	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	131.8	172.9	-59.6	173.8	0	0	0	108.7	Q331 Y343 F362 T363 L365	I329-Q331 VanDerWaalsContact C-N 3.31Å; I329-Q331 PolarHBondContact O-N 3.33Å; I329-Y343 WeakPolarHBondContact CG2-O 3.46Å; I329-F362 HydrophobicContact CD1-CB 4.11Å; I329-F362 HydrophobicContact CD1-CD1 4.16Å; I329-T363 WeakPolarHBondContact CG2-O 3.42Å; I329-L365 HydrophobicContact CG2-CD1 4.47Å; I329-L365 HydrophobicContact CG2-CG 4.47Å
330	G	92	Very high	93.1	Very high	40 Å²	40	57.2 Å²	57.2	41%	0.412	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	-9.7	-174.7	0	0	0	0	0	115.9	H328 I342	H328-G330 PolarHBondContact O-N 2.93Å; G330-I342 WeakPolarHBondContact CA-O 3.3Å; G330-I342 PolarHBondContact N-O 2.77Å
331	Q	92.1	Very high	93.3	Very high	80 Å²	80	54 Å²	54	37%	0.374	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-82.2	139.8	174.4	-168.6	173.7	-7.3	0	0	110.9	D326 H328 I329 I342	D326-Q331 PolarHBondContact O-OE1 3.03Å; H328-Q331 HydrophobicContact CB-CB 4.17Å; H328-Q331 PolarHBondContact ND1-OE1 2.85Å; H328-Q331 WeakPolarHBondContact O-CB 3.24Å; H328-Q331 PolarHBondContact O-N 3.39Å; H328-Q331 VanDerWaalsContact O-N 3.15Å; I329-Q331 VanDerWaalsContact C-N 3.31Å; I329-Q331 PolarHBondContact O-N 3.33Å; Q331-I342 PolarHBondContact O-N 3.31Å; Q331-I342 VanDerWaalsContact O-N 3.08Å
332	S	94.2	Very high	93.5	Very high	74 Å²	74	52 Å²	52	52%	0.517	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	117.1	168.6	-66.2	0	0	0	0	110	Y340	S332-Y340 CarbonylContact C-O 3.59Å; S332-Y340 WeakPolarHBondContact CA-O 3.37Å
333	V	94.3	Very high	93.6	Very high	7 Å²	7	53 Å²	53	4%	0.042	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	127.7	179	-172.3	0	0	0	0	109.4	F322 F327 I335 Y340 I342	F322-V333 HydrophobicContact CD1-CG1 4.2Å; F322-V333 HydrophobicContact CE1-CG1 3.48Å; F322-V333 VanDerWaalsContact CE1-CG1 3.48Å; F322-V333 HydrophobicContact CZ-CG1 3.96Å; F327-V333 HydrophobicContact CD1-CG2 4.14Å; F327-V333 HydrophobicContact CE1-CG1 4.07Å; F327-V333 HydrophobicContact CE1-CG2 4.34Å; V333-I335 HydrophobicContact CG1-CD1 4.16Å; V333-I335 HydrophobicContact CG1-CG1 3.86Å; V333-Y340 PolarHBondContact N-O 2.99Å; V333-Y340 PolarHBondContact O-N 3.36Å; V333-I342 HydrophobicContact CG2-CD1 3.62Å; V333-I342 HydrophobicContact CG2-CG1 4.37Å
334	N	94.3	Very high	93.7	Very high	82 Å²	82	53.2 Å²	53.2	44%	0.439	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	106.9	176.8	-175.8	14.1	0	0	0	110.4	F322 G337 R338	F322-N334 WeakPolarHBondContact CZ-O 3.26Å; N334-G337 VanDerWaalsContact OD1-CA 3.24Å; N334-G337 WeakPolarHBondContact OD1-CA 3.34Å; N334-G337 PolarHBondContact OD1-N 3.48Å; N334-R338 CarbonylContact C-O 3.54Å; N334-R338 WeakPolarHBondContact CA-O 3.34Å; N334-R338 PolarHBondContact OD1-N 2.76Å; N334-R338 PolarHBondContact OD1-O 2.95Å
335	I	94.1	Very high	93.7	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	116.3	179.9	-62.1	171.9	0	0	0	108.5	I262 I273 L290 I295 F322 F327 V333 G337 R338 Y340	I262-I335 HydrophobicContact CD1-CD1 4.3Å; I273-I335 HydrophobicContact CD1-CB 4.36Å; I273-I335 HydrophobicContact CD1-CD1 3.81Å; I273-I335 HydrophobicContact CD1-CG2 3.9Å; L290-I335 HydrophobicContact CD2-CG2 3.97Å; I295-I335 HydrophobicContact CD1-CG2 3.75Å; I295-I335 HydrophobicContact CG2-CG2 4.09Å; F322-I335 HydrophobicContact CE2-CG1 4.24Å; F322-I335 HydrophobicContact CZ-CG1 4.24Å; F327-I335 HydrophobicContact CE1-CD1 4.48Å; V333-I335 HydrophobicContact CG1-CD1 4.16Å; V333-I335 HydrophobicContact CG1-CG1 3.86Å; I335-G337 PolarHBondContact O-N 3.19Å; I335-G337 VanDerWaalsContact O-N 3.16Å; I335-R338 PolarHBondContact N-O 2.93Å; I335-R338 PolarHBondContact O-N 3.4Å; I335-Y340 HydrophobicContact CB-CD2 4.07Å; I335-Y340 HydrophobicContact CB-CE2 3.9Å; I335-Y340 HydrophobicContact CD1-CD2 4.19Å; I335-Y340 HydrophobicContact CG1-CD2 4.32Å
336	L	90.8	Very high	93.9	Very high	84 Å²	84	48.4 Å²	48.4	44%	0.44	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	35.8	179.2	-56.8	177.6	0	0	0	113.8	L290 I295	L290-L336 HydrophobicContact CD1-CD1 3.67Å; L290-L336 HydrophobicContact CD2-CD1 3.98Å; I295-L336 HydrophobicContact CG2-CD2 4.38Å; I295-L336 HydrophobicContact CG2-CG 4.47Å
337	G	89.8	Confident	94	Very high	65 Å²	65	52.5 Å²	52.5	67%	0.67	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.3	-3.3	-179.9	0	0	0	0	0	114.8	N334 I335	N334-G337 VanDerWaalsContact OD1-CA 3.24Å; N334-G337 WeakPolarHBondContact OD1-CA 3.34Å; N334-G337 PolarHBondContact OD1-N 3.48Å; I335-G337 PolarHBondContact O-N 3.19Å; I335-G337 VanDerWaalsContact O-N 3.16Å
338	R	92.4	Very high	94.1	Very high	102 Å²	102	56.5 Å²	56.5	39%	0.385	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	128.7	176.8	-67.6	-178.4	179.3	-174.1	3.2	110.7	N334 I335 Y340	N334-R338 CarbonylContact C-O 3.54Å; N334-R338 WeakPolarHBondContact CA-O 3.34Å; N334-R338 PolarHBondContact OD1-N 2.76Å; N334-R338 PolarHBondContact OD1-O 2.95Å; I335-R338 PolarHBondContact N-O 2.93Å; I335-R338 PolarHBondContact O-N 3.4Å; R338-Y340 HydrophobicContact CB-CD2 4.45Å; R338-Y340 HydrophobicContact CB-CE2 3.62Å; R338-Y340 WeakPolarHBondContact O-CD2 3.41Å; R338-Y340 WeakPolarHBondContact O-CE2 3.49Å
339	K	94.5	Very high	94.3	Very high	154 Å²	154	53.5 Å²	53.5	67%	0.67	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	121.4	178.3	-65.6	-179.8	-177.8	175.7	0	110.7	Q247	Q247-K339 WeakPolarHBondContact CG-O 3.49Å
340	Y	96.2	Very high	94.3	Very high	5 Å²	5	53.6 Å²	53.6	2%	0.02	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	118	176.1	-62.4	-84.5	0	0	0	109.7	Q247 F260 I262 I273 L289 S332 V333 I335 R338	Q247-Y340 HydrophobicContact CB-CD1 4.11Å; Q247-Y340 HydrophobicContact CB-CE1 4.11Å; Q247-Y340 HydrophobicContact CG-CD1 4.42Å; Q247-Y340 HydrophobicContact CG-CE1 4.25Å; F260-Y340 HydrophobicContact CB-CD1 4.45Å; F260-Y340 HydrophobicContact CB-CE1 4.4Å; F260-Y340 HydrophobicContact CD2-CD1 4.04Å; F260-Y340 AromaticContact CD2-CE1 3.72Å; F260-Y340 HydrophobicContact CD2-CE1 3.72Å; F260-Y340 HydrophobicContact CE2-CE1 4.1Å; F260-Y340 HydrophobicContact CG-CD1 4.39Å; F260-Y340 AromaticContact CG-CE1 3.97Å; F260-Y340 HydrophobicContact CG-CE1 3.97Å; I262-Y340 HydrophobicContact CD1-CG 4.37Å; I273-Y340 HydrophobicContact CD1-CE2 4Å; I273-Y340 HydrophobicContact CG2-CE1 4.47Å; L289-Y340 HydrophobicContact CD2-CE1 4.44Å; L289-Y340 WeakPolarHBondContact CD2-OH 3.16Å; S332-Y340 CarbonylContact C-O 3.59Å; S332-Y340 WeakPolarHBondContact CA-O 3.37Å; V333-Y340 PolarHBondContact N-O 2.99Å; V333-Y340 PolarHBondContact O-N 3.36Å; I335-Y340 HydrophobicContact CB-CD2 4.07Å; I335-Y340 HydrophobicContact CB-CE2 3.9Å; I335-Y340 HydrophobicContact CD1-CD2 4.19Å; I335-Y340 HydrophobicContact CG1-CD2 4.32Å; R338-Y340 HydrophobicContact CB-CD2 4.45Å; R338-Y340 HydrophobicContact CB-CE2 3.62Å; R338-Y340 WeakPolarHBondContact O-CD2 3.41Å; R338-Y340 WeakPolarHBondContact O-CE2 3.49Å
341	L	95.8	Very high	94.5	Very high	55 Å²	55	54 Å²	54	29%	0.288	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	114.1	172.6	177.9	67.9	0	0	0	109.1	A245 V246 I367	A245-L341 CarbonylContact C-O 3.32Å; A245-L341 WeakPolarHBondContact CA-O 3.23Å; V246-L341 PolarHBondContact N-O 3.18Å; V246-L341 PolarHBondContact O-N 3.26Å; L341-I367 HydrophobicContact CD2-CD1 4.11Å
342	I	96.7	Very high	94.6	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	128.7	177	-59.8	169.4	0	0	0	108.7	F243 Y244 A245 F327 H328 G330 Q331 V333	F243-I342 HydrophobicContact CB-CG2 4.05Å; F243-I342 HydrophobicContact CD1-CG2 4.03Å; F243-I342 HydrophobicContact CG-CG2 4.44Å; Y244-I342 WeakPolarHBondContact O-CA 3.46Å; A245-I342 HydrophobicContact CB-CG1 4.3Å; F327-I342 HydrophobicContact CB-CD1 4Å; F327-I342 HydrophobicContact CD1-CD1 3.72Å; F327-I342 HydrophobicContact CG-CD1 4.35Å; H328-I342 WeakPolarHBondContact O-CB 3.21Å; G330-I342 WeakPolarHBondContact CA-O 3.3Å; G330-I342 PolarHBondContact N-O 2.77Å; Q331-I342 PolarHBondContact O-N 3.31Å; Q331-I342 VanDerWaalsContact O-N 3.08Å; V333-I342 HydrophobicContact CG2-CD1 3.62Å; V333-I342 HydrophobicContact CG2-CG1 4.37Å
343	Y	95.3	Very high	94.7	Very high	39 Å²	39	48.8 Å²	48.8	15%	0.153	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	-21.8	-173.1	72.7	-98.9	0	0	0	114.3	Y244 V246 I329 P364 L365 I367	Y244-Y343 VanDerWaalsContact C-CE1 3.49Å; Y244-Y343 VanDerWaalsContact CB-CZ 3.43Å; Y244-Y343 VanDerWaalsContact O-CD1 3.23Å; Y244-Y343 WeakPolarHBondContact O-CD1 3.41Å; Y244-Y343 PolarHBondContact O-N 3.43Å; V246-Y343 HydrophobicContact CG2-CD1 4.08Å; V246-Y343 HydrophobicContact CG2-CE1 3.95Å; I329-Y343 WeakPolarHBondContact CG2-O 3.46Å; Y343-P364 CarbonylContact O-C 3.59Å; Y343-P364 VanDerWaalsContact O-CA 3.28Å; Y343-P364 WeakPolarHBondContact O-CA 3.34Å; Y343-L365 PolarHBondContact O-N 3.38Å; Y343-I367 HydrophobicContact CD1-CD1 3.56Å; Y343-I367 HydrophobicContact CD2-CD1 4.36Å; Y343-I367 HydrophobicContact CE1-CD1 4.49Å; Y343-I367 HydrophobicContact CG-CD1 3.48Å; Y343-I367 VanDerWaalsContact CG-CD1 3.48Å; Y343-I367 HydrophobicContact CG-CG1 4.37Å
344	D	95.7	Very high	94.7	Very high	38 Å²	38	53 Å²	53	20%	0.203	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	169.2	173.2	-168.5	18.5	0	0	0	109.6	Y244 K350 P364	Y244-D344 HydrophobicContact CD2-CB 3.98Å; Y244-D344 PolarHBondContact N-O 2.93Å; Y244-D344 PolarHBondContact O-N 3.15Å; D344-K350 WeakPolarHBondContact OD1-CE 3.38Å; D344-K350 IonicContact OD1-NZ 3.88Å; D344-K350 PolarHBondContact OD1-NZ 2.98Å; D344-P364 HydrophobicContact CB-CB 4.16Å
345	C	95	Very high	94.7	Very high	4 Å²	4	55 Å²	55	3%	0.027	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	160.8	172.4	67.9	0	0	0	0	111.3	R242 F243 T349 K350	R242-C345 WeakPolarHBondContact O-CA 3.17Å; R242-C345 WeakPolarHBondContact O-CB 3.32Å; F243-C345 HydrophobicContact CD1-CB 3.73Å; F243-C345 HydrophobicContact CE1-CB 4.16Å; C345-T349 HydrophobicContact CB-CG2 3.86Å; C345-K350 WeakPolarHBondContact O-CE 3.41Å; C345-K350 PolarHBondContact O-NZ 3.15Å; C345-K350 WeakPolarHBondContact SG-CG 3.21Å
346	D	95.5	Very high	94.7	Very high	48 Å²	48	59.3 Å²	59.3	26%	0.257	31%	0.309	S	S	.	.			trans	-67.8	157	178.9	-163.3	2.3	0	0	0	112.4	R242 F348 T349 K350	R242-D346 HydrophobicContact CB-CB 4.08Å; R242-D346 IonicContact CZ-OD2 3.95Å; R242-D346 IonicContact NE-OD2 3.38Å; R242-D346 IonicContact NH1-OD2 2.92Å; R242-D346 IonicContact NH2-OD1 2.74Å; R242-D346 PolarHBondContact NH2-OD1 3.11Å; R242-D346 IonicContact NH2-OD2 3.7Å; R242-D346 PolarHBondContact NH2-OD2 3.29Å; R242-D346 PolarHBondContact O-N 2.79Å; D346-F348 VanDerWaalsContact C-N 3.25Å; D346-F348 PolarHBondContact O-N 3.28Å; D346-T349 WeakPolarHBondContact O-CA 3.25Å; D346-T349 WeakPolarHBondContact O-CB 3.12Å; D346-T349 PolarHBondContact O-N 3.3Å; D346-K350 PolarHBondContact O-N 2.97Å
347	N	95.9	Very high	94.7	Very high	118 Å²	118	58.8 Å²	58.8	63%	0.631	30%	0.303	S	S	*	.	H	α-helix	trans	-56.8	-37	179.3	-70.5	-21.8	0	0	0	112.7	K350 A351	N347-K350 PolarHBondContact O-N 3.35Å; N347-A351 PolarHBondContact O-N 3.43Å
348	F	96.1	Very high	94.7	Very high	84 Å²	84	58.2 Å²	58.2	37%	0.368	30%	0.298	S	S	.	.	H	α-helix	trans	-60.7	-45.7	173.4	172.5	-101.6	0	0	0	111.5	K239 V240 L241 D346 A351 W352	K239-F348 HydrophobicContact CB-CE1 4.23Å; K239-F348 HydrophobicContact CB-CZ 3.78Å; K239-F348 HydrophobicContact CD-CZ 4.3Å; K239-F348 HydrophobicContact CG-CZ 3.93Å; V240-F348 VanDerWaalsContact O-CD1 3.29Å; V240-F348 WeakPolarHBondContact O-CD1 3.35Å; V240-F348 WeakPolarHBondContact O-CE1 3.18Å; L241-F348 HydrophobicContact CD2-CD1 4.44Å; L241-F348 HydrophobicContact CD2-CE1 4.06Å; D346-F348 VanDerWaalsContact C-N 3.25Å; D346-F348 PolarHBondContact O-N 3.28Å; F348-A351 PolarHBondContact O-N 3.37Å; F348-W352 WeakPolarHBondContact O-CB 3.39Å; F348-W352 PolarHBondContact O-N 3.33Å
349	T	95.9	Very high	94.6	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.006	29%	0.293	C	S	.	.	H	α-helix	trans	-59.7	-47.4	176.1	-46.7	0	0	0	0	110.2	L241 R242 F243 C345 D346 A351 W352 Y353	L241-T349 HydrophobicContact CB-CG2 4.01Å; L241-T349 HydrophobicContact CD2-CG2 4.02Å; R242-T349 PolarHBondContact N-OG1 3.38Å; R242-T349 PolarHBondContact O-OG1 3.22Å; R242-T349 VanDerWaalsContact O-OG1 3.12Å; F243-T349 HydrophobicContact CD1-CG2 4.28Å; F243-T349 HydrophobicContact CE1-CG2 3.54Å; F243-T349 HydrophobicContact CE2-CG2 4.37Å; F243-T349 HydrophobicContact CZ-CG2 3.58Å; C345-T349 HydrophobicContact CB-CG2 3.86Å; D346-T349 WeakPolarHBondContact O-CA 3.25Å; D346-T349 WeakPolarHBondContact O-CB 3.12Å; D346-T349 PolarHBondContact O-N 3.3Å; T349-A351 PolarHBondContact O-N 3.12Å; T349-W352 PolarHBondContact O-N 3.23Å; T349-W352 VanDerWaalsContact O-N 3.16Å; T349-Y353 HydrophobicContact CG2-CD2 3.75Å; T349-Y353 HydrophobicContact CG2-CE2 3.64Å; T349-Y353 VanDerWaalsContact O-CD2 3.25Å; T349-Y353 WeakPolarHBondContact O-CD2 3.41Å; T349-Y353 PolarHBondContact O-N 3.41Å
350	K	94.9	Very high	94.3	Very high	43 Å²	43	54.1 Å²	54.1	19%	0.187	30%	0.295	C	S	.	.	H	α-helix	trans	-55.2	-50.7	176.8	-63.6	179.5	179.4	169.3	0	111.6	D344 C345 D346 N347 W352 Y353 H354 F362	D344-K350 WeakPolarHBondContact OD1-CE 3.38Å; D344-K350 IonicContact OD1-NZ 3.88Å; D344-K350 PolarHBondContact OD1-NZ 2.98Å; C345-K350 WeakPolarHBondContact O-CE 3.41Å; C345-K350 PolarHBondContact O-NZ 3.15Å; C345-K350 WeakPolarHBondContact SG-CG 3.21Å; D346-K350 PolarHBondContact O-N 2.97Å; N347-K350 PolarHBondContact O-N 3.35Å; K350-W352 VanDerWaalsContact C-N 3.34Å; K350-W352 PolarHBondContact O-N 3.28Å; K350-Y353 PolarHBondContact O-N 3.42Å; K350-H354 WeakPolarHBondContact O-CB 3.41Å; K350-H354 PolarHBondContact O-N 3.45Å; K350-F362 HydrophobicContact CB-CD1 4.18Å; K350-F362 HydrophobicContact CB-CD2 4.02Å; K350-F362 HydrophobicContact CB-CE1 4.29Å; K350-F362 HydrophobicContact CB-CE2 4.12Å; K350-F362 HydrophobicContact CB-CG 4.05Å; K350-F362 HydrophobicContact CB-CZ 4.26Å; K350-F362 HydrophobicContact CD-CB 3.81Å; K350-F362 HydrophobicContact CD-CG 4.1Å; K350-F362 HydrophobicContact CG-CB 3.98Å; K350-F362 HydrophobicContact CG-CD1 3.79Å; K350-F362 HydrophobicContact CG-CD2 4.2Å; K350-F362 HydrophobicContact CG-CE1 4.31Å; K350-F362 HydrophobicContact CG-CG 3.73Å; K350-F362 WeakPolarHBondContact O-CZ 3.26Å
351	A	95	Very high	93.9	Very high	50 Å²	50	60.9 Å²	60.9	41%	0.413	33%	0.326	S	S	.	.	H	α-helix	trans	-63.2	-38.6	178	0	0	0	0	0	112.8	N347 F348 T349 H354 N355	N347-A351 PolarHBondContact O-N 3.43Å; F348-A351 PolarHBondContact O-N 3.37Å; T349-A351 PolarHBondContact O-N 3.12Å; A351-H354 PolarHBondContact O-N 3.31Å; A351-N355 WeakPolarHBondContact O-CB 3.41Å; A351-N355 PolarHBondContact O-N 3.13Å; A351-N355 PolarHBondContact O-ND2 3.1Å
352	W	95.2	Very high	93.5	Very high	38 Å²	38	60.2 Å²	60.2	14%	0.144	32%	0.321	C	S	.	.	H	α-helix	trans	-68	-42.2	179	-170.3	94.9	0	0	0	112	L241 L266 P324 F348 T349 K350 N355 N356 F357	L241-W352 HydrophobicContact CD1-CD2 4.46Å; L241-W352 HydrophobicContact CD1-CE3 3.96Å; L241-W352 HydrophobicContact CD1-CH2 4.43Å; L241-W352 HydrophobicContact CD1-CZ3 3.92Å; L241-W352 HydrophobicContact CD2-CB 3.88Å; L241-W352 HydrophobicContact CD2-CD2 3.73Å; L241-W352 HydrophobicContact CD2-CE3 3.76Å; L241-W352 HydrophobicContact CD2-CG 3.79Å; L241-W352 HydrophobicContact CG-CE3 4.5Å; L266-W352 HydrophobicContact CD1-CD2 4.21Å; L266-W352 HydrophobicContact CD1-CG 4.38Å; L266-W352 HydrophobicContact CD1-CZ2 4.01Å; L266-W352 HydrophobicContact CD2-CH2 3.93Å; L266-W352 HydrophobicContact CD2-CZ2 3.56Å; L266-W352 HydrophobicContact CG-CZ2 4.46Å; P324-W352 HydrophobicContact CB-CH2 3.67Å; P324-W352 HydrophobicContact CB-CZ3 3.63Å; P324-W352 HydrophobicContact CG-CH2 3.83Å; P324-W352 HydrophobicContact CG-CZ3 4.28Å; F348-W352 WeakPolarHBondContact O-CB 3.39Å; F348-W352 PolarHBondContact O-N 3.33Å; T349-W352 PolarHBondContact O-N 3.23Å; T349-W352 VanDerWaalsContact O-N 3.16Å; K350-W352 VanDerWaalsContact C-N 3.34Å; K350-W352 PolarHBondContact O-N 3.28Å; W352-N355 PolarHBondContact O-N 3.03Å; W352-N356 HydrophobicContact CE3-CB 4.48Å; W352-N356 HydrophobicContact CH2-CB 4.31Å; W352-N356 HydrophobicContact CZ2-CB 4.36Å; W352-N356 HydrophobicContact CZ3-CB 4.39Å; W352-N356 PolarHBondContact NE1-ND2 3.29Å; W352-N356 VanDerWaalsContact NE1-ND2 3.19Å; W352-N356 WeakPolarHBondContact O-CB 3.42Å; W352-N356 PolarHBondContact O-N 3.1Å; W352-N356 PolarHBondContact O-ND2 3.22Å; W352-F357 HydrophobicContact CE3-CE2 4.47Å; W352-F357 HydrophobicContact CH2-CE2 4.04Å; W352-F357 HydrophobicContact CH2-CZ 4.18Å; W352-F357 HydrophobicContact CZ3-CD2 4.12Å; W352-F357 AromaticContact CZ3-CE2 3.48Å; W352-F357 HydrophobicContact CZ3-CE2 3.48Å; W352-F357 VanDerWaalsContact CZ3-CE2 3.48Å; W352-F357 HydrophobicContact CZ3-CZ 4.09Å
353	Y	95.4	Very high	93.2	Very high	5 Å²	5	64.3 Å²	64.3	2%	0.02	35%	0.346	C	S	.	.	H	α-helix	trans	-67.1	-38.5	175.4	-86.1	-107.3	0	0	0	111.9	L241 F243 P324 F327 T349 K350 F357 G358 L359	L241-Y353 HydrophobicContact CD1-CE2 3.85Å; L241-Y353 HydrophobicContact CD2-CE2 4.25Å; F243-Y353 HydrophobicContact CE1-CE2 4.09Å; F243-Y353 AromaticContact CZ-CE2 3.68Å; F243-Y353 HydrophobicContact CZ-CE2 3.68Å; F243-Y353 AromaticContact CZ-CZ 3.75Å; F243-Y353 VanDerWaalsContact CZ-OH 3.24Å; F243-Y353 WeakPolarHBondContact CZ-OH 3.41Å; P324-Y353 PolarHBondContact O-OH 2.96Å; F327-Y353 VanDerWaalsContact O-CE1 3.24Å; F327-Y353 WeakPolarHBondContact O-CE1 3.28Å; F327-Y353 PolarHBondContact O-OH 3.42Å; T349-Y353 HydrophobicContact CG2-CD2 3.75Å; T349-Y353 HydrophobicContact CG2-CE2 3.64Å; T349-Y353 VanDerWaalsContact O-CD2 3.25Å; T349-Y353 WeakPolarHBondContact O-CD2 3.41Å; T349-Y353 PolarHBondContact O-N 3.41Å; K350-Y353 PolarHBondContact O-N 3.42Å; Y353-F357 AromaticContact CD1-CD2 3.54Å; Y353-F357 HydrophobicContact CD1-CD2 3.54Å; Y353-F357 HydrophobicContact CD1-CE2 4.05Å; Y353-F357 AromaticContact CE1-CD2 3.81Å; Y353-F357 HydrophobicContact CE1-CD2 3.81Å; Y353-F357 AromaticContact CE1-CE2 3.84Å; Y353-F357 HydrophobicContact CE1-CE2 3.84Å; Y353-F357 HydrophobicContact CG-CD2 4.1Å; Y353-F357 CarbonylContact O-C 3.47Å; Y353-F357 WeakPolarHBondContact O-CA 3.28Å; Y353-F357 WeakPolarHBondContact O-CB 3.49Å; Y353-F357 PolarHBondContact O-N 2.99Å; Y353-G358 PolarHBondContact O-N 3.35Å; Y353-L359 HydrophobicContact CD1-CD1 3.63Å; Y353-L359 HydrophobicContact CG-CD1 4.49Å; Y353-L359 PolarHBondContact O-N 3.35Å
354	H	94.6	Very high	93	Very high	95 Å²	95	66.4 Å²	66.4	44%	0.44	37%	0.365	S	S	.	.	H	α-helix	trans	-58.8	-47.8	172.4	178.8	-87.5	0	0	0	111.5	K350 A351 G358 L359 F362	K350-H354 WeakPolarHBondContact O-CB 3.41Å; K350-H354 PolarHBondContact O-N 3.45Å; A351-H354 PolarHBondContact O-N 3.31Å; H354-G358 WeakPolarHBondContact O-CA 3.27Å; H354-G358 PolarHBondContact O-N 3.38Å; H354-L359 VanDerWaalsContact CA-O 3.3Å; H354-L359 WeakPolarHBondContact CA-O 3.42Å; H354-L359 WeakPolarHBondContact CB-O 3.46Å; H354-F362 HydrophobicContact CB-CE2 4.44Å
355	N	94.2	Very high	92.7	Very high	124 Å²	124	68.4 Å²	68.4	66%	0.663	38%	0.375	S	S	*	.	H	α-helix	trans	-74.8	-33.3	-175.4	-67.2	-14	0	0	0	114.1	A351 W352	A351-N355 WeakPolarHBondContact O-CB 3.41Å; A351-N355 PolarHBondContact O-N 3.13Å; A351-N355 PolarHBondContact O-ND2 3.1Å; W352-N355 PolarHBondContact O-N 3.03Å
356	N	93.2	Very high	92.3	Very high	93 Å²	93	74.3 Å²	74.3	50%	0.497	41%	0.406	S	S	.	.	H	α-helix	trans	-98.8	-30.1	-175.6	-64.8	-77.5	0	0	0	113.9	W352	W352-N356 HydrophobicContact CE3-CB 4.48Å; W352-N356 HydrophobicContact CH2-CB 4.31Å; W352-N356 HydrophobicContact CZ2-CB 4.36Å; W352-N356 HydrophobicContact CZ3-CB 4.39Å; W352-N356 PolarHBondContact NE1-ND2 3.29Å; W352-N356 VanDerWaalsContact NE1-ND2 3.19Å; W352-N356 WeakPolarHBondContact O-CB 3.42Å; W352-N356 PolarHBondContact O-N 3.1Å; W352-N356 PolarHBondContact O-ND2 3.22Å
357	F	92.3	Very high	91.8	Very high	73 Å²	73	74.1 Å²	74.1	32%	0.32	41%	0.405	S	S	.	.	H	α-helix	trans	-118.3	-6.9	-178.1	-60	-52.4	0	0	0	114.1	P324 K325 W352 Y353 L359	P324-F357 HydrophobicContact CB-CE2 4.06Å; P324-F357 HydrophobicContact CB-CZ 4.19Å; K325-F357 HydrophobicContact CB-CZ 4.41Å; K325-F357 HydrophobicContact CD-CE1 4.14Å; K325-F357 HydrophobicContact CD-CZ 4.41Å; K325-F357 HydrophobicContact CG-CD1 4.43Å; K325-F357 HydrophobicContact CG-CE1 3.48Å; K325-F357 VanDerWaalsContact CG-CE1 3.48Å; K325-F357 HydrophobicContact CG-CE2 4.24Å; K325-F357 HydrophobicContact CG-CZ 3.36Å; W352-F357 HydrophobicContact CE3-CE2 4.47Å; W352-F357 HydrophobicContact CH2-CE2 4.04Å; W352-F357 HydrophobicContact CH2-CZ 4.18Å; W352-F357 HydrophobicContact CZ3-CD2 4.12Å; W352-F357 AromaticContact CZ3-CE2 3.48Å; W352-F357 HydrophobicContact CZ3-CE2 3.48Å; W352-F357 VanDerWaalsContact CZ3-CE2 3.48Å; W352-F357 HydrophobicContact CZ3-CZ 4.09Å; Y353-F357 AromaticContact CD1-CD2 3.54Å; Y353-F357 HydrophobicContact CD1-CD2 3.54Å; Y353-F357 HydrophobicContact CD1-CE2 4.05Å; Y353-F357 AromaticContact CE1-CD2 3.81Å; Y353-F357 HydrophobicContact CE1-CD2 3.81Å; Y353-F357 AromaticContact CE1-CE2 3.84Å; Y353-F357 HydrophobicContact CE1-CE2 3.84Å; Y353-F357 HydrophobicContact CG-CD2 4.1Å; Y353-F357 CarbonylContact O-C 3.47Å; Y353-F357 WeakPolarHBondContact O-CA 3.28Å; Y353-F357 WeakPolarHBondContact O-CB 3.49Å; Y353-F357 PolarHBondContact O-N 2.99Å; F357-L359 VanDerWaalsContact C-N 3.27Å; F357-L359 HydrophobicContact CB-CD1 3.98Å; F357-L359 HydrophobicContact CB-CG 4.27Å; F357-L359 PolarHBondContact O-N 3.31Å
358	G	90	Very high	91.1	Very high	54 Å²	54	75.5 Å²	75.5	56%	0.557	41%	0.407	S	S	*	.			trans	71.8	18.6	-179.5	0	0	0	0	0	114.2	Y353 H354	Y353-G358 PolarHBondContact O-N 3.35Å; H354-G358 WeakPolarHBondContact O-CA 3.27Å; H354-G358 PolarHBondContact O-N 3.38Å
359	L	88.7	Confident	90	Very high	57 Å²	57	76.1 Å²	76.1	30%	0.298	41%	0.414	S	S	.	.			trans	-77.6	129.5	179.7	-75.3	160.3	0	0	0	110.8	Y353 H354 F357 F362	Y353-L359 HydrophobicContact CD1-CD1 3.63Å; Y353-L359 HydrophobicContact CG-CD1 4.49Å; Y353-L359 PolarHBondContact O-N 3.35Å; H354-L359 VanDerWaalsContact CA-O 3.3Å; H354-L359 WeakPolarHBondContact CA-O 3.42Å; H354-L359 WeakPolarHBondContact CB-O 3.46Å; F357-L359 VanDerWaalsContact C-N 3.27Å; F357-L359 HydrophobicContact CB-CD1 3.98Å; F357-L359 HydrophobicContact CB-CG 4.27Å; F357-L359 PolarHBondContact O-N 3.31Å; L359-F362 HydrophobicContact CB-CE1 4.45Å; L359-F362 HydrophobicContact CB-CZ 4.02Å; L359-F362 WeakPolarHBondContact O-CE2 3.24Å; L359-F362 WeakPolarHBondContact O-CZ 3.24Å
360	T	88.6	Confident	89.1	Confident	113 Å²	113	84.9 Å²	84.9	69%	0.693	45%	0.452	S	S	*	.			trans	-113	-21.2	-179.4	51.1	0	0	0	0	113.1
361	E	87.3	Confident	88.2	Confident	147 Å²	147	91.1 Å²	91.1	69%	0.687	48%	0.481	S	S	*	.			trans	-89.7	110.4	-178.6	-170.7	171.1	-167.1	0	0	110.8	T363	E361-T363 HydrophobicContact CG-CG2 4.36Å
362	F	88.3	Confident	87.5	Confident	41 Å²	41	94.5 Å²	94.5	18%	0.18	50%	0.499	C	S	.	.			trans	-129.6	46.5	176.8	-58.8	-75.8	0	0	0	111.3	I329 K350 H354 L359 P364	I329-F362 HydrophobicContact CD1-CB 4.11Å; I329-F362 HydrophobicContact CD1-CD1 4.16Å; K350-F362 HydrophobicContact CB-CD1 4.18Å; K350-F362 HydrophobicContact CB-CD2 4.02Å; K350-F362 HydrophobicContact CB-CE1 4.29Å; K350-F362 HydrophobicContact CB-CE2 4.12Å; K350-F362 HydrophobicContact CB-CG 4.05Å; K350-F362 HydrophobicContact CB-CZ 4.26Å; K350-F362 HydrophobicContact CD-CB 3.81Å; K350-F362 HydrophobicContact CD-CG 4.1Å; K350-F362 HydrophobicContact CG-CB 3.98Å; K350-F362 HydrophobicContact CG-CD1 3.79Å; K350-F362 HydrophobicContact CG-CD2 4.2Å; K350-F362 HydrophobicContact CG-CE1 4.31Å; K350-F362 HydrophobicContact CG-CG 3.73Å; K350-F362 WeakPolarHBondContact O-CZ 3.26Å; H354-F362 HydrophobicContact CB-CE2 4.44Å; L359-F362 HydrophobicContact CB-CE1 4.45Å; L359-F362 HydrophobicContact CB-CZ 4.02Å; L359-F362 WeakPolarHBondContact O-CE2 3.24Å; L359-F362 WeakPolarHBondContact O-CZ 3.24Å; F362-P364 WeakPolarHBondContact O-CD 3.24Å
363	T	90.2	Very high	87	Confident	85 Å²	85	100.5 Å²	100.5	52%	0.521	53%	0.529	S	S	.	.			trans	-72.5	114.7	179.4	41.3	0	0	0	0	110	I329 E361	I329-T363 WeakPolarHBondContact CG2-O 3.42Å; E361-T363 HydrophobicContact CG-CG2 4.36Å
364	P	90.8	Very high	86.5	Confident	84 Å²	84	107.6 Å²	107.6	55%	0.545	57%	0.566	S	S	.	*			trans	-69.1	141.3	180	28.4	-33.4	0	0	0	110.6	Y343 D344 F362	Y343-P364 CarbonylContact O-C 3.59Å; Y343-P364 VanDerWaalsContact O-CA 3.28Å; Y343-P364 WeakPolarHBondContact O-CA 3.34Å; D344-P364 HydrophobicContact CB-CB 4.16Å; F362-P364 WeakPolarHBondContact O-CD 3.24Å
365	L	89.1	Confident	86.1	Confident	80 Å²	80	108.8 Å²	108.8	42%	0.419	58%	0.582	S	S	.	*			trans	-86.9	132.4	176.4	-71.9	166.6	0	0	0	110.7	I329 Y343 I367	I329-L365 HydrophobicContact CG2-CD1 4.47Å; I329-L365 HydrophobicContact CG2-CG 4.47Å; Y343-L365 PolarHBondContact O-N 3.38Å; L365-I367 PolarHBondContact O-N 2.77Å
366	D	87.7	Confident	85.7	Confident	128 Å²	128	111.4 Å²	111.4	68%	0.684	59%	0.588	S	S	*	*			trans	-76.4	114	173.1	-173.8	8.6	0	0	0	110.1	E368	D366-E368 PolarHBondContact OD1-N 2.68Å
367	I	84.8	Confident	85.4	Confident	43 Å²	43	117 Å²	117	22%	0.221	61%	0.607	C	S	.	*			trans	-115.3	13.3	176.3	-50.8	173	0	0	0	110.9	V246 L341 Y343 L365 I369	V246-I367 HydrophobicContact CB-CD1 3.95Å; V246-I367 HydrophobicContact CB-CG2 4.38Å; V246-I367 HydrophobicContact CG1-CG2 4.17Å; V246-I367 HydrophobicContact CG2-CD1 3.89Å; V246-I367 HydrophobicContact CG2-CG2 4.01Å; L341-I367 HydrophobicContact CD2-CD1 4.11Å; Y343-I367 HydrophobicContact CD1-CD1 3.56Å; Y343-I367 HydrophobicContact CD2-CD1 4.36Å; Y343-I367 HydrophobicContact CE1-CD1 4.49Å; Y343-I367 HydrophobicContact CG-CD1 3.48Å; Y343-I367 VanDerWaalsContact CG-CD1 3.48Å; Y343-I367 HydrophobicContact CG-CG1 4.37Å; L365-I367 PolarHBondContact O-N 2.77Å; I367-I369 PolarHBondContact O-N 3.15Å; I367-I369 VanDerWaalsContact O-N 3.15Å
368	E	79.9	Confident	85.1	Confident	147 Å²	147	122.2 Å²	122.2	69%	0.687	63%	0.633	S	S	*	*			trans	-71.3	115.1	176.2	-65.2	-164	165.7	0	0	110.6	D366 K370	D366-E368 PolarHBondContact OD1-N 2.68Å; E368-K370 PolarHBondContact O-N 3.01Å
369	I	74.3	Confident	85	Confident	98 Å²	98	124.8 Å²	124.8	50%	0.503	63%	0.633	S	S	.	*			trans	-71.5	105.2	173.2	-57.4	170.2	0	0	0	106.9	C257 I367 Q371	C257-I369 HydrophobicContact CB-CD1 4.09Å; I367-I369 PolarHBondContact O-N 3.15Å; I367-I369 VanDerWaalsContact O-N 3.15Å; I369-Q371 PolarHBondContact O-N 3.06Å
370	K	76.3	Confident	85	Confident	185 Å²	185	125.5 Å²	125.5	80%	0.804	64%	0.641	S	S	*	*			trans	-57.8	111	173.3	-66.9	-176.7	-178.2	179.4	0	109	E368	E368-K370 PolarHBondContact O-N 3.01Å
371	Q	77	Confident	85	Confident	174 Å²	174	124.7 Å²	124.7	81%	0.813	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-66.2	135.5	173.5	-68.6	-175.7	-17.1	0	0	108.7	I369 E373	I369-Q371 PolarHBondContact O-N 3.06Å; Q371-E373 PolarHBondContact O-N 3.49Å
372	P	79.9	Confident	85	Confident	120 Å²	120	119.8 Å²	119.8	78%	0.779	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-60.5	130.4	174.9	25.3	-32.3	0	0	0	109.2	L374	P372-L374 PolarHBondContact O-N 3.01Å
373	E	84.4	Confident	85.1	Confident	165 Å²	165	123 Å²	123	77%	0.771	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-59.1	134.2	173.2	-69.1	-170.7	-175.6	0	0	109.1	Q371	Q371-E373 PolarHBondContact O-N 3.49Å
374	L	85	Confident	84.9	Confident	154 Å²	154	121.3 Å²	121.3	81%	0.806	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-60.8	136.4	176	-68.2	173.3	0	0	0	109.4	P372 K376	P372-L374 PolarHBondContact O-N 3.01Å; L374-K376 PolarHBondContact O-N 2.79Å; L374-K376 VanDerWaalsContact O-N 3.13Å
375	P	85.9	Confident	84.8	Confident	120 Å²	120	125.9 Å²	125.9	78%	0.779	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-59.5	121.4	179.3	23.8	-32.6	0	0	0	109.7	K377	P375-K377 PolarHBondContact O-N 3.39Å
376	K	86.9	Confident	84.7	Confident	178 Å²	178	125 Å²	125	77%	0.774	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-70.1	127.6	175.5	-66.5	176.3	-175.1	167.3	0	108.1	L374 E378	L374-K376 PolarHBondContact O-N 2.79Å; L374-K376 VanDerWaalsContact O-N 3.13Å; K376-E378 PolarHBondContact O-N 3.42Å
377	K	85.3	Confident	84.7	Confident	210 Å²	210	122.6 Å²	122.6	91%	0.913	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-71.1	119.3	176.4	-64.6	-177.9	-178.5	-178.9	0	109	P375	P375-K377 PolarHBondContact O-N 3.39Å
378	E	87	Confident	84.8	Confident	183 Å²	183	121.9 Å²	121.9	86%	0.855	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-70.3	146.4	173	-63.6	-179.8	172.6	0	0	110.3	K376	K376-E378 PolarHBondContact O-N 3.42Å
379	I	87.6	Confident	85.2	Confident	108 Å²	108	118.9 Å²	118.9	55%	0.554	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-74	126.4	174.9	-60.7	170.8	0	0	0	106.6	T395	I379-T395 HydrophobicContact CG2-CG2 4.23Å
380	P	88.4	Confident	86	Confident	73 Å²	73	117.9 Å²	117.9	47%	0.474	62%	0.617	S	S	.	*	P	Polyproline II helix	trans	-65.9	153.2	179.1	30	-32.4	0	0	0	110.4	T395	P380-T395 HydrophobicContact CG-CG2 3.96Å
381	P	88.7	Confident	86.6	Confident	96 Å²	96	110.2 Å²	110.2	62%	0.623	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-60.9	149.5	176.5	27.3	-34.7	0	0	0	110.7	N383 D478	P381-N383 PolarHBondContact O-N 2.9Å; P381-D478 WeakPolarHBondContact CA-OD1 3.41Å
382	Y	88.7	Confident	87.1	Confident	44 Å²	44	104.6 Å²	104.6	17%	0.173	56%	0.562	C	S	.	*	P	Polyproline II helix	trans	-63	128	179.9	172.9	-117.1	0	0	0	110.7	G384 Y385 G386 I388 S391 L477 D478	Y382-G384 VanDerWaalsContact C-N 3.28Å; Y382-G384 VanDerWaalsContact CE1-CA 3.45Å; Y382-G384 PolarHBondContact O-N 3.4Å; Y382-Y385 WeakPolarHBondContact CE2-O 3.35Å; Y382-Y385 PolarHBondContact OH-N 2.79Å; Y382-Y385 PolarHBondContact OH-O 3.33Å; Y382-G386 PolarHBondContact OH-O 3.5Å; Y382-I388 HydrophobicContact CD1-CD1 4.43Å; Y382-I388 HydrophobicContact CD1-CG1 3.71Å; Y382-I388 HydrophobicContact CD2-CG1 4.04Å; Y382-I388 HydrophobicContact CE1-CG1 3.79Å; Y382-I388 HydrophobicContact CE2-CG1 4.11Å; Y382-I388 HydrophobicContact CG-CG1 3.83Å; Y382-S391 WeakPolarHBondContact CE2-OG 3.48Å; Y382-L477 HydrophobicContact CD1-CD2 3.63Å; Y382-L477 HydrophobicContact CD1-CG 3.86Å; Y382-L477 HydrophobicContact CE1-CD2 4.17Å; Y382-L477 HydrophobicContact CE1-CG 4.41Å; Y382-D478 WeakPolarHBondContact CB-OD1 3.38Å; Y382-D478 PolarHBondContact N-OD1 3.41Å
383	N	88.7	Confident	87.6	Confident	109 Å²	109	100 Å²	100	58%	0.583	53%	0.532	S	S	*	.			trans	-80.3	-1.5	-171.7	67.7	2	0	0	0	114.8	P381 Y385	P381-N383 PolarHBondContact O-N 2.9Å; N383-Y385 PolarHBondContact OD1-N 3.42Å
384	G	86.4	Confident	87.8	Confident	48 Å²	48	95.7 Å²	95.7	50%	0.495	52%	0.52	S	S	.	.	S	Bend	trans	87.6	0.3	-180	0	0	0	0	0	116.1	Y382	Y382-G384 VanDerWaalsContact C-N 3.28Å; Y382-G384 VanDerWaalsContact CE1-CA 3.45Å; Y382-G384 PolarHBondContact O-N 3.4Å
385	Y	88.9	Confident	87.9	Confident	181 Å²	181	91.6 Å²	91.6	71%	0.71	50%	0.501	S	S	*	.	S	Bend	trans	-105.9	145.8	178.5	-68.9	-80.7	0	0	0	112.4	Y382 N383 S391	Y382-Y385 WeakPolarHBondContact CE2-O 3.35Å; Y382-Y385 PolarHBondContact OH-N 2.79Å; Y382-Y385 PolarHBondContact OH-O 3.33Å; N383-Y385 PolarHBondContact OD1-N 3.42Å; Y385-S391 PolarHBondContact O-OG 2.78Å
386	G	86.8	Confident	88	Confident	61 Å²	61	93 Å²	93	63%	0.629	50%	0.495	S	S	*	.	S	Bend	trans	68.5	-150.9	179.4	0	0	0	0	0	113.3	Y382	Y382-G386 PolarHBondContact OH-O 3.5Å
387	T	87.1	Confident	88.1	Confident	78 Å²	78	86.6 Å²	86.6	48%	0.479	47%	0.473	S	S	.	.			trans	-100	157.6	167.7	67.6	0	0	0	0	110.1	E389 D390 S391	T387-E389 VanDerWaalsContact C-N 3.28Å; T387-E389 PolarHBondContact O-N 3.45Å; T387-D390 PolarHBondContact O-N 3.03Å; T387-D390 WeakPolarHBondContact OG1-CB 3.42Å; T387-D390 PolarHBondContact OG1-N 2.9Å; T387-S391 WeakPolarHBondContact O-CB 3.43Å; T387-S391 PolarHBondContact O-N 3.08Å; T387-S391 PolarHBondContact O-OG 3.15Å
388	I	88.6	Confident	88.2	Confident	27 Å²	27	86.3 Å²	86.3	14%	0.138	47%	0.472	C	S	.	.	H	α-helix	trans	-61.2	-41.7	178.1	-66.5	157.7	0	0	0	110.4	Y382 D390 L392 L477 P480	Y382-I388 HydrophobicContact CD1-CD1 4.43Å; Y382-I388 HydrophobicContact CD1-CG1 3.71Å; Y382-I388 HydrophobicContact CD2-CG1 4.04Å; Y382-I388 HydrophobicContact CE1-CG1 3.79Å; Y382-I388 HydrophobicContact CE2-CG1 4.11Å; Y382-I388 HydrophobicContact CG-CG1 3.83Å; I388-D390 PolarHBondContact O-N 2.96Å; I388-L392 WeakPolarHBondContact O-CB 3.33Å; I388-L392 PolarHBondContact O-N 2.82Å; I388-L477 WeakPolarHBondContact CD1-O 3.39Å; I388-P480 HydrophobicContact CD1-CB 4.15Å; I388-P480 HydrophobicContact CD1-CG 3.54Å
389	E	88.4	Confident	88.5	Confident	84 Å²	84	83.3 Å²	83.3	39%	0.393	46%	0.46	S	S	.	.	H	α-helix	trans	-61.2	-43.1	176.9	-66.8	166.6	-171.2	0	0	111.9	T387 V393 P403 R469	T387-E389 VanDerWaalsContact C-N 3.28Å; T387-E389 PolarHBondContact O-N 3.45Å; E389-V393 WeakPolarHBondContact O-CG2 3Å; E389-V393 PolarHBondContact O-N 2.97Å; E389-P403 HydrophobicContact CB-CB 4.28Å; E389-R469 IonicContact OE1-CZ 2.82Å; E389-R469 IonicContact OE1-NH1 3.79Å; E389-R469 PolarHBondContact OE1-NH1 2.72Å; E389-R469 IonicContact OE2-NH1 3.93Å
390	D	89.2	Confident	88.6	Confident	77 Å²	77	83.7 Å²	83.7	41%	0.412	46%	0.463	S	S	.	.	H	α-helix	trans	-69.4	-46.5	179.7	-173.1	57.2	0	0	0	111.9	T387 I388 L392 V393 S394	T387-D390 PolarHBondContact O-N 3.03Å; T387-D390 WeakPolarHBondContact OG1-CB 3.42Å; T387-D390 PolarHBondContact OG1-N 2.9Å; I388-D390 PolarHBondContact O-N 2.96Å; D390-L392 VanDerWaalsContact C-N 3.29Å; D390-L392 PolarHBondContact O-N 3.35Å; D390-V393 WeakPolarHBondContact O-CB 3.12Å; D390-V393 PolarHBondContact O-N 2.86Å; D390-V393 VanDerWaalsContact O-N 3.1Å; D390-S394 PolarHBondContact O-N 3.16Å
391	S	89.5	Confident	88.7	Confident	24 Å²	24	86.9 Å²	86.9	17%	0.168	47%	0.469	C	S	.	.	H	α-helix	trans	-63.6	-34.6	176.8	-73.5	0	0	0	0	113	Y382 Y385 T387 V393 S394 T395	Y382-S391 WeakPolarHBondContact CE2-OG 3.48Å; Y385-S391 PolarHBondContact O-OG 2.78Å; T387-S391 WeakPolarHBondContact O-CB 3.43Å; T387-S391 PolarHBondContact O-N 3.08Å; T387-S391 PolarHBondContact O-OG 3.15Å; S391-V393 VanDerWaalsContact C-N 3.29Å; S391-V393 PolarHBondContact O-N 2.9Å; S391-S394 WeakPolarHBondContact O-CB 3.43Å; S391-S394 PolarHBondContact O-N 3.41Å; S391-S394 VanDerWaalsContact O-N 3.15Å; S391-T395 PolarHBondContact O-N 2.95Å
392	L	88.8	Confident	88.8	Confident	57 Å²	57	87.6 Å²	87.6	30%	0.298	47%	0.474	S	S	.	.	H	α-helix	trans	-66.7	-30.6	176	175.9	144.6	0	0	0	111.9	I388 D390 S394 T395 K396	I388-L392 WeakPolarHBondContact O-CB 3.33Å; I388-L392 PolarHBondContact O-N 2.82Å; D390-L392 VanDerWaalsContact C-N 3.29Å; D390-L392 PolarHBondContact O-N 3.35Å; L392-S394 VanDerWaalsContact C-N 3.35Å; L392-T395 PolarHBondContact O-N 3.25Å; L392-K396 HydrophobicContact CD2-CD 3.7Å; L392-K396 HydrophobicContact CD2-CG 4.43Å; L392-K396 VanDerWaalsContact CD2-NZ 3.3Å; L392-K396 HydrophobicContact CG-CD 4.46Å; L392-K396 WeakPolarHBondContact O-CG 3.07Å; L392-K396 PolarHBondContact O-N 3.17Å; L392-K396 VanDerWaalsContact O-N 3.1Å
393	V	90.2	Very high	88.9	Confident	24 Å²	24	87.5 Å²	87.5	15%	0.145	48%	0.479	C	S	.	.	H	α-helix	trans	-65.2	-40.5	171.2	-179.5	0	0	0	0	111.3	E389 D390 S391 T395 K396 S397 K401	E389-V393 WeakPolarHBondContact O-CG2 3Å; E389-V393 PolarHBondContact O-N 2.97Å; D390-V393 WeakPolarHBondContact O-CB 3.12Å; D390-V393 PolarHBondContact O-N 2.86Å; D390-V393 VanDerWaalsContact O-N 3.1Å; S391-V393 VanDerWaalsContact C-N 3.29Å; S391-V393 PolarHBondContact O-N 2.9Å; V393-T395 PolarHBondContact O-N 3.03Å; V393-K396 PolarHBondContact O-N 2.88Å; V393-S397 PolarHBondContact O-N 2.96Å; V393-K401 HydrophobicContact CG1-CB 4.41Å; V393-K401 VanDerWaalsContact CG1-O 3.26Å; V393-K401 WeakPolarHBondContact CG1-O 3.41Å
394	S	88.5	Confident	89	Confident	73 Å²	73	92.1 Å²	92.1	51%	0.51	49%	0.494	S	S	.	.	H	α-helix	trans	-59.8	-29.2	176.3	-172.9	0	0	0	0	113	D390 S391 L392 L400	D390-S394 PolarHBondContact O-N 3.16Å; S391-S394 WeakPolarHBondContact O-CB 3.43Å; S391-S394 PolarHBondContact O-N 3.41Å; S391-S394 VanDerWaalsContact O-N 3.15Å; L392-S394 VanDerWaalsContact C-N 3.35Å; S394-L400 VanDerWaalsContact CA-CD2 3.49Å
395	T	87	Confident	89	Confident	69 Å²	69	93.1 Å²	93.1	42%	0.423	49%	0.49	S	S	.	.	H	α-helix	trans	-77.3	-39.2	173.9	-57.1	0	0	0	0	111.5	I379 P380 S391 L392 V393	I379-T395 HydrophobicContact CG2-CG2 4.23Å; P380-T395 HydrophobicContact CG-CG2 3.96Å; S391-T395 PolarHBondContact O-N 2.95Å; L392-T395 PolarHBondContact O-N 3.25Å; V393-T395 PolarHBondContact O-N 3.03Å
396	K	87.8	Confident	89.1	Confident	149 Å²	149	89 Å²	89	65%	0.648	48%	0.481	S	S	*	.	H	α-helix	trans	-75.4	-32.3	-174	-74.4	-178.5	178.4	-179.8	0	114	L392 V393	L392-K396 HydrophobicContact CD2-CD 3.7Å; L392-K396 HydrophobicContact CD2-CG 4.43Å; L392-K396 VanDerWaalsContact CD2-NZ 3.3Å; L392-K396 HydrophobicContact CG-CD 4.46Å; L392-K396 WeakPolarHBondContact O-CG 3.07Å; L392-K396 PolarHBondContact O-N 3.17Å; L392-K396 VanDerWaalsContact O-N 3.1Å; V393-K396 PolarHBondContact O-N 2.88Å
397	S	87.6	Confident	89.3	Confident	44 Å²	44	92.7 Å²	92.7	31%	0.308	48%	0.479	S	S	.	.			trans	-143.7	138.3	-172.9	174.1	0	0	0	0	111	V393 I399	V393-S397 PolarHBondContact O-N 2.96Å; S397-I399 PolarHBondContact OG-N 2.99Å; S397-I399 PolarHBondContact OG-O 3.36Å
398	F	88.5	Confident	89.5	Confident	204 Å²	204	91.9 Å²	91.9	90%	0.895	48%	0.481	S	S	*	.	S	Bend	trans	-64.5	-41.7	173.4	177.6	-101.7	0	0	0	112.1	L400	F398-L400 PolarHBondContact O-N 3.49Å
399	I	92.8	Very high	89.7	Confident	119 Å²	119	93.2 Å²	93.2	61%	0.61	49%	0.485	S	S	*	.	S	Bend	trans	-83.3	111.9	173.1	-59.2	174.6	0	0	0	107.1	S397 K401	S397-I399 PolarHBondContact OG-N 2.99Å; S397-I399 PolarHBondContact OG-O 3.36Å; I399-K401 PolarHBondContact O-N 2.98Å
400	L	90.3	Very high	89.8	Confident	117 Å²	117	91.9 Å²	91.9	61%	0.613	48%	0.479	S	S	*	.			trans	-62.2	126.9	177	-59.3	-179.9	0	0	0	109.4	S394 F398	S394-L400 VanDerWaalsContact CA-CD2 3.49Å; F398-L400 PolarHBondContact O-N 3.49Å
401	K	90.9	Very high	90	Very high	139 Å²	139	93.4 Å²	93.4	60%	0.604	49%	0.491	S	S	*	.			trans	-117.5	139	171.9	-67.6	-179.1	-178.2	177.1	0	107.3	V393 I399	V393-K401 HydrophobicContact CG1-CB 4.41Å; V393-K401 VanDerWaalsContact CG1-O 3.26Å; V393-K401 WeakPolarHBondContact CG1-O 3.41Å; I399-K401 PolarHBondContact O-N 2.98Å
402	P	91	Very high	90.1	Very high	111 Å²	111	97.1 Å²	97.1	72%	0.721	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-58.9	140.1	173.7	25.1	-32.9	0	0	0	109.4	K404	P402-K404 PolarHBondContact O-N 3.4Å
403	P	90.5	Very high	90.3	Very high	43 Å²	43	96.6 Å²	96.6	28%	0.279	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-58	137.2	174.6	24.9	-32.9	0	0	0	109.3	E389 V405	E389-P403 HydrophobicContact CB-CB 4.28Å; P403-V405 PolarHBondContact O-N 3.33Å
404	K	89.7	Confident	90.3	Very high	206 Å²	206	98.5 Å²	98.5	90%	0.896	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-76.1	123.9	178	-67.9	-175.7	178.3	-176.3	0	108.7	P402	P402-K404 PolarHBondContact O-N 3.4Å
405	V	87.9	Confident	90.4	Very high	68 Å²	68	103.9 Å²	103.9	41%	0.412	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-84.3	151.1	172	-162	0	0	0	0	109	P403 F407 Q410	P403-V405 PolarHBondContact O-N 3.33Å; V405-F407 VanDerWaalsContact C-N 3.28Å; V405-F407 VanDerWaalsContact O-CD2 3.28Å; V405-F407 WeakPolarHBondContact O-CD2 3.41Å; V405-F407 PolarHBondContact O-N 3.09Å; V405-Q410 HydrophobicContact CG1-CG 4.17Å; V405-Q410 VanDerWaalsContact CG1-NE2 3.35Å
406	D	90.5	Very high	90.7	Very high	96 Å²	96	103.9 Å²	103.9	51%	0.513	53%	0.533	S	S	.	.			trans	-72.8	85.7	171.3	-172.9	-10.6	0	0	0	109.8	A408 K409 Q410	D406-A408 PolarHBondContact O-N 3.36Å; D406-A408 PolarHBondContact OD1-N 2.81Å; D406-K409 HydrophobicContact CB-CB 3.98Å; D406-K409 VanDerWaalsContact CG-CB 3.47Å; D406-K409 PolarHBondContact O-N 3Å; D406-K409 PolarHBondContact OD1-N 3.03Å; D406-K409 VanDerWaalsContact OD1-N 3.12Å; D406-K409 WeakPolarHBondContact OD2-CB 3.4Å; D406-Q410 PolarHBondContact O-N 3.42Å
407	F	90.8	Very high	91	Very high	137 Å²	137	97.9 Å²	97.9	60%	0.601	51%	0.509	S	S	*	.	H	α-helix	trans	-60.8	-31	-179.4	-73.5	-76.6	0	0	0	112.7	V405 Q410 V411	V405-F407 VanDerWaalsContact C-N 3.28Å; V405-F407 VanDerWaalsContact O-CD2 3.28Å; V405-F407 WeakPolarHBondContact O-CD2 3.41Å; V405-F407 PolarHBondContact O-N 3.09Å; F407-Q410 PolarHBondContact O-N 2.82Å; F407-V411 VanDerWaalsContact O-CG2 3.26Å; F407-V411 WeakPolarHBondContact O-CG2 3.26Å; F407-V411 PolarHBondContact O-N 3.25Å
408	A	91.7	Very high	91.4	Very high	61 Å²	61	95.8 Å²	95.8	50%	0.504	49%	0.494	S	S	.	.	H	α-helix	trans	-66	-48.4	178.5	0	0	0	0	0	109.8	D406 Q410 V411 D412	D406-A408 PolarHBondContact O-N 3.36Å; D406-A408 PolarHBondContact OD1-N 2.81Å; A408-Q410 VanDerWaalsContact C-N 3.33Å; A408-Q410 PolarHBondContact O-N 2.83Å; A408-V411 PolarHBondContact O-N 3.21Å; A408-D412 WeakPolarHBondContact O-CB 3.42Å; A408-D412 PolarHBondContact O-N 2.85Å
409	K	92.5	Very high	91.8	Very high	55 Å²	55	92 Å²	92	24%	0.239	47%	0.474	C	S	.	.	H	α-helix	trans	-58.8	-43.7	173.4	-176	174.8	177.4	170.6	0	112.1	D406 V411 Y413 L442 D445	D406-K409 HydrophobicContact CB-CB 3.98Å; D406-K409 VanDerWaalsContact CG-CB 3.47Å; D406-K409 PolarHBondContact O-N 3Å; D406-K409 PolarHBondContact OD1-N 3.03Å; D406-K409 VanDerWaalsContact OD1-N 3.12Å; D406-K409 WeakPolarHBondContact OD2-CB 3.4Å; K409-V411 VanDerWaalsContact C-N 3.33Å; K409-V411 PolarHBondContact O-N 2.92Å; K409-Y413 HydrophobicContact CB-CD2 4.47Å; K409-Y413 HydrophobicContact CG-CD2 3.83Å; K409-Y413 HydrophobicContact CG-CE2 4.39Å; K409-Y413 WeakPolarHBondContact O-CB 3.34Å; K409-Y413 WeakPolarHBondContact O-CD2 3.21Å; K409-Y413 PolarHBondContact O-N 2.83Å; K409-L442 WeakPolarHBondContact CE-O 3.22Å; K409-D445 IonicContact NZ-OD1 3.61Å; K409-D445 PolarHBondContact NZ-OD1 3.49Å; K409-D445 IonicContact NZ-OD2 3.71Å; K409-D445 PolarHBondContact NZ-OD2 2.78Å
410	Q	91	Very high	91.9	Very high	56 Å²	56	86.4 Å²	86.4	26%	0.262	45%	0.445	S	S	.	.	H	α-helix	trans	-60.3	-41.6	177.7	-75.1	-169.6	-30.4	0	0	112.7	V405 D406 F407 A408 A414 D444	V405-Q410 HydrophobicContact CG1-CG 4.17Å; V405-Q410 VanDerWaalsContact CG1-NE2 3.35Å; D406-Q410 PolarHBondContact O-N 3.42Å; F407-Q410 PolarHBondContact O-N 2.82Å; A408-Q410 VanDerWaalsContact C-N 3.33Å; A408-Q410 PolarHBondContact O-N 2.83Å; Q410-A414 WeakPolarHBondContact O-CA 3.47Å; Q410-A414 WeakPolarHBondContact O-CB 3.49Å; Q410-A414 PolarHBondContact O-N 2.9Å; Q410-D444 PolarHBondContact NE2-OD1 3.25Å
411	V	92.7	Very high	92.2	Very high	109 Å²	109	83.9 Å²	83.9	66%	0.661	43%	0.43	S	S	*	.	H	α-helix	trans	-71.4	-50.2	-179.7	172.1	0	0	0	0	111.2	F407 A408 K409 Y413	F407-V411 VanDerWaalsContact O-CG2 3.26Å; F407-V411 WeakPolarHBondContact O-CG2 3.26Å; F407-V411 PolarHBondContact O-N 3.25Å; A408-V411 PolarHBondContact O-N 3.21Å; K409-V411 VanDerWaalsContact C-N 3.33Å; K409-V411 PolarHBondContact O-N 2.92Å; V411-Y413 VanDerWaalsContact C-N 3.28Å; V411-Y413 PolarHBondContact O-N 2.84Å
412	D	91.7	Very high	92.4	Very high	103 Å²	103	77.2 Å²	77.2	55%	0.551	40%	0.401	S	S	*	.	H	α-helix	trans	-69.6	-26.2	-174	-69.8	-18	0	0	0	113.3	A408 K416	A408-D412 WeakPolarHBondContact O-CB 3.42Å; A408-D412 PolarHBondContact O-N 2.85Å; D412-K416 WeakPolarHBondContact O-CE 3.45Å; D412-K416 PolarHBondContact O-NZ 3.49Å
413	Y	92.8	Very high	92.6	Very high	45 Å²	45	76.7 Å²	76.7	18%	0.176	39%	0.385	C	S	.	.	H	α-helix	trans	-115	7.9	-177.1	-59.5	-83.3	0	0	0	114.1	K409 V411 Q415 K416 L442 F513	K409-Y413 HydrophobicContact CB-CD2 4.47Å; K409-Y413 HydrophobicContact CG-CD2 3.83Å; K409-Y413 HydrophobicContact CG-CE2 4.39Å; K409-Y413 WeakPolarHBondContact O-CB 3.34Å; K409-Y413 WeakPolarHBondContact O-CD2 3.21Å; K409-Y413 PolarHBondContact O-N 2.83Å; V411-Y413 VanDerWaalsContact C-N 3.28Å; V411-Y413 PolarHBondContact O-N 2.84Å; Y413-Q415 PolarHBondContact O-N 2.71Å; Y413-K416 HydrophobicContact CD1-CB 4.36Å; Y413-K416 HydrophobicContact CD1-CD 3.51Å; Y413-K416 HydrophobicContact CD1-CG 4.48Å; Y413-K416 HydrophobicContact CE1-CD 4.1Å; Y413-K416 HydrophobicContact CG-CD 4.35Å; Y413-K416 PolarHBondContact O-N 2.79Å; Y413-L442 HydrophobicContact CD1-CB 3.91Å; Y413-L442 HydrophobicContact CD1-CD1 4.09Å; Y413-L442 HydrophobicContact CG-CB 4.05Å; Y413-F513 HydrophobicContact CD1-CE2 4.35Å; Y413-F513 HydrophobicContact CD1-CZ 4.37Å; Y413-F513 AromaticContact CE1-CE2 3.98Å; Y413-F513 HydrophobicContact CE1-CE2 3.98Å; Y413-F513 AromaticContact CE1-CZ 3.89Å; Y413-F513 HydrophobicContact CE1-CZ 3.89Å
414	A	90	Very high	92.7	Very high	65 Å²	65	75.6 Å²	75.6	54%	0.537	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.3	-41.9	-175.3	0	0	0	0	0	114.5	Q410	Q410-A414 WeakPolarHBondContact O-CA 3.47Å; Q410-A414 WeakPolarHBondContact O-CB 3.49Å; Q410-A414 PolarHBondContact O-N 2.9Å
415	Q	90.2	Very high	92.9	Very high	186 Å²	186	68.6 Å²	68.6	87%	0.869	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	0.2	-176.9	-64.3	-175.5	-14.4	0	0	113.4	Y413	Y413-Q415 PolarHBondContact O-N 2.71Å
416	K	93.1	Very high	92.9	Very high	69 Å²	69	67.6 Å²	67.6	30%	0.3	35%	0.345	S	S	.	.			trans	-91.3	112.1	-175.2	-58.6	-178.5	176.9	151.3	0	109.4	D412 Y413 L442 Y509 F513	D412-K416 WeakPolarHBondContact O-CE 3.45Å; D412-K416 PolarHBondContact O-NZ 3.49Å; Y413-K416 HydrophobicContact CD1-CB 4.36Å; Y413-K416 HydrophobicContact CD1-CD 3.51Å; Y413-K416 HydrophobicContact CD1-CG 4.48Å; Y413-K416 HydrophobicContact CE1-CD 4.1Å; Y413-K416 HydrophobicContact CG-CD 4.35Å; Y413-K416 PolarHBondContact O-N 2.79Å; K416-L442 HydrophobicContact CB-CB 4.43Å; K416-L442 HydrophobicContact CB-CD1 3.74Å; K416-L442 WeakPolarHBondContact O-CB 3.22Å; K416-L442 PolarHBondContact O-N 3.42Å; K416-Y509 WeakPolarHBondContact CG-OH 3.41Å; K416-F513 HydrophobicContact CD-CE2 4.04Å
417	V	95.4	Very high	92.8	Very high	23 Å²	23	73.4 Å²	73.4	14%	0.139	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	124.6	-179	-176.8	0	0	0	0	108.7	R419 Y440 H441	V417-R419 HydrophobicContact CG1-CG 4.3Å; V417-Y440 WeakPolarHBondContact CA-O 3.34Å; V417-H441 WeakPolarHBondContact CG2-ND1 3.44Å
418	L	95.4	Very high	92.7	Very high	0 Å²	0	75.2 Å²	75.2	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	121.9	176.6	-52.3	179	0	0	0	109.2	Y420 S439 Y440 L442 P485 Y509 V510 F513 F514	L418-Y420 HydrophobicContact CB-CE2 3.69Å; L418-S439 CarbonylContact O-C 3.58Å; L418-S439 WeakPolarHBondContact O-CA 3.36Å; L418-Y440 PolarHBondContact N-O 2.63Å; L418-Y440 PolarHBondContact O-N 3.22Å; L418-L442 HydrophobicContact CD1-CD1 4.19Å; L418-L442 HydrophobicContact CD1-CD2 3.99Å; L418-L442 HydrophobicContact CD1-CG 4.25Å; L418-L442 HydrophobicContact CD2-CD1 3.95Å; L418-L442 HydrophobicContact CG-CD1 3.85Å; L418-L442 HydrophobicContact CG-CD2 4.4Å; L418-L442 HydrophobicContact CG-CG 4.1Å; L418-P485 HydrophobicContact CD1-CB 4.06Å; L418-P485 HydrophobicContact CD1-CG 4.48Å; L418-Y509 HydrophobicContact CD2-CD1 4.49Å; L418-Y509 HydrophobicContact CD2-CE1 4.25Å; L418-V510 HydrophobicContact CB-CG1 4.38Å; L418-V510 HydrophobicContact CB-CG2 3.74Å; L418-V510 HydrophobicContact CD2-CB 4.33Å; L418-V510 HydrophobicContact CD2-CG1 4.25Å; L418-V510 HydrophobicContact CD2-CG2 3.97Å; L418-V510 HydrophobicContact CG-CG2 4.45Å; L418-F513 HydrophobicContact CD1-CD1 4.24Å; L418-F513 HydrophobicContact CD1-CE1 4.36Å; L418-F513 HydrophobicContact CD2-CB 4.01Å; L418-F513 HydrophobicContact CD2-CD1 3.65Å; L418-F513 HydrophobicContact CD2-CE1 4.32Å; L418-F513 HydrophobicContact CD2-CG 3.83Å; L418-F514 HydrophobicContact CD1-CE2 4.21Å; L418-F514 HydrophobicContact CD1-CZ 4.28Å
419	R	96.3	Very high	92.4	Very high	124 Å²	124	77.7 Å²	77.7	47%	0.468	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	132.4	-176.3	-61.4	-176	-174	121.3	-0.8	110.7	V417 I437 I438 D507 V510	V417-R419 HydrophobicContact CG1-CG 4.3Å; R419-I437 HydrophobicContact CB-CG2 4.31Å; R419-I438 CarbonylContact C-O 3.54Å; R419-I438 WeakPolarHBondContact CA-O 3.29Å; R419-D507 HydrophobicContact CB-CB 3.97Å; R419-D507 IonicContact NH1-OD2 3.49Å; R419-D507 VanDerWaalsContact O-CB 3.32Å; R419-D507 WeakPolarHBondContact O-CB 3.49Å; R419-D507 PolarHBondContact O-N 3.06Å; R419-V510 VanDerWaalsContact N-CG2 3.3Å; R419-V510 WeakPolarHBondContact O-CG2 3.29Å
420	Y	96.2	Very high	92.1	Very high	2 Å²	2	81.4 Å²	81.4	1%	0.008	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	137.8	-178.7	-54.3	-87.6	0	0	0	109	L418 I437 I438 F488 I503 V506 V510	L418-Y420 HydrophobicContact CB-CE2 3.69Å; Y420-I437 CarbonylContact O-C 3.56Å; Y420-I437 VanDerWaalsContact O-CA 3.3Å; Y420-I437 WeakPolarHBondContact O-CA 3.28Å; Y420-I438 PolarHBondContact N-O 2.68Å; Y420-I438 PolarHBondContact O-N 2.98Å; Y420-F488 HydrophobicContact CD1-CB 4.26Å; Y420-F488 HydrophobicContact CD2-CB 4.39Å; Y420-F488 HydrophobicContact CD2-CD1 4.28Å; Y420-F488 HydrophobicContact CD2-CG 4.38Å; Y420-F488 HydrophobicContact CE1-CB 3.78Å; Y420-F488 HydrophobicContact CE2-CB 3.92Å; Y420-F488 HydrophobicContact CE2-CD1 4.37Å; Y420-F488 HydrophobicContact CE2-CG 4.03Å; Y420-I503 HydrophobicContact CD1-CG2 4.27Å; Y420-V506 HydrophobicContact CD1-CB 4.33Å; Y420-V506 HydrophobicContact CD1-CG1 3.9Å; Y420-V506 HydrophobicContact CD1-CG2 3.84Å; Y420-V506 HydrophobicContact CE1-CG1 3.92Å; Y420-V506 HydrophobicContact CE1-CG2 4.32Å; Y420-V510 HydrophobicContact CE1-CG1 3.76Å
421	E	95.4	Very high	92	Very high	63 Å²	63	79.5 Å²	79.5	29%	0.294	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	135.4	166.1	-164.2	-175.2	176.1	0	0	108.7	R435 F436 T504 D505	E421-R435 WeakPolarHBondContact OE1-CD 3.36Å; E421-R435 IonicContact OE1-NE 3.32Å; E421-F436 CarbonylContact C-O 3.58Å; E421-F436 WeakPolarHBondContact CA-O 3.29Å; E421-T504 PolarHBondContact O-N 2.96Å; E421-T504 PolarHBondContact O-OG1 3.01Å; E421-D505 HydrophobicContact CB-CB 3.81Å; E421-D505 PolarHBondContact N-O 3.45Å; E421-D505 PolarHBondContact O-N 3.06Å; E421-D505 WeakPolarHBondContact OE2-CB 3.4Å
422	A	95.9	Very high	91.7	Very high	0 Å²	0	77.2 Å²	77.2	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	157.7	178.6	0	0	0	0	0	111.4	F436 I438 F501 I502 I503	A422-F436 PolarHBondContact N-O 2.97Å; A422-F436 PolarHBondContact O-N 3.43Å; A422-I438 HydrophobicContact CB-CD1 3.63Å; A422-I438 HydrophobicContact CB-CG1 3.9Å; A422-F501 HydrophobicContact CB-CB 4.19Å; A422-F501 HydrophobicContact CB-CD1 4.43Å; A422-I502 CarbonylContact C-O 3.57Å; A422-I502 WeakPolarHBondContact CA-O 3.39Å; A422-I502 WeakPolarHBondContact CB-O 3.45Å; A422-I503 HydrophobicContact CB-CD1 4.07Å
423	R	94.2	Very high	91.5	Very high	100 Å²	100	75.1 Å²	75.1	38%	0.377	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	156.8	168.7	68.6	-175.5	179.3	97.9	-2	109.9	F501 I502 T504	R423-F501 WeakPolarHBondContact O-CA 3.44Å; R423-I502 HydrophobicContact CG-CB 4.23Å; R423-I502 PolarHBondContact N-O 2.53Å; R423-I502 PolarHBondContact O-N 3.23Å; R423-T504 HydrophobicContact CB-CG2 4.23Å; R423-T504 HydrophobicContact CG-CG2 3.68Å
424	L	94	Very high	91.5	Very high	20 Å²	20	74.4 Å²	74.4	11%	0.105	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	136.7	173.5	-75.9	165.3	0	0	0	110.8	S426 D431 F436 F501	L424-S426 PolarHBondContact O-N 3.12Å; L424-S426 VanDerWaalsContact O-N 3.12Å; L424-D431 HydrophobicContact CB-CB 4.48Å; L424-D431 HydrophobicContact CD1-CB 4.23Å; L424-F436 HydrophobicContact CB-CE2 4.39Å; L424-F436 HydrophobicContact CD1-CE2 3.54Å; L424-F436 HydrophobicContact CD1-CZ 3.48Å; L424-F436 VanDerWaalsContact CD1-CZ 3.48Å; L424-F436 HydrophobicContact CD2-CE2 4.48Å; L424-F436 HydrophobicContact CG-CD2 4.2Å; L424-F436 HydrophobicContact CG-CE2 3.46Å; L424-F436 VanDerWaalsContact CG-CE2 3.46Å; L424-F436 HydrophobicContact CG-CZ 3.85Å; L424-F501 HydrophobicContact CD2-CD1 3.9Å; L424-F501 HydrophobicContact CD2-CE1 3.4Å; L424-F501 VanDerWaalsContact CD2-CE1 3.4Å; L424-F501 HydrophobicContact CD2-CE2 4.4Å; L424-F501 HydrophobicContact CD2-CZ 3.69Å; L424-F501 HydrophobicContact CG-CD1 4.4Å; L424-F501 HydrophobicContact CG-CE1 4Å
425	D	92.5	Very high	91.6	Very high	58 Å²	58	75.7 Å²	75.7	31%	0.31	36%	0.364	S	S	.	.			trans	-83.1	67.5	165	-164.4	18.2	0	0	0	108.6	K493 R500 I502	D425-K493 IonicContact OD1-NZ 2.81Å; D425-K493 WeakPolarHBondContact OD2-CE 3.4Å; D425-K493 IonicContact OD2-NZ 3.31Å; D425-K493 PolarHBondContact OD2-NZ 2.89Å; D425-R500 HydrophobicContact CB-CB 3.92Å; D425-R500 PolarHBondContact N-O 2.9Å; D425-I502 HydrophobicContact CB-CD1 3.78Å; D425-I502 HydrophobicContact CB-CG1 4.04Å
426	S	88.8	Confident	91.9	Very high	48 Å²	48	66.9 Å²	66.9	34%	0.336	32%	0.323	S	S	.	.			trans	-112.8	144.2	-177.1	179.8	0	0	0	0	110.7	L424 R428 D431	L424-S426 PolarHBondContact O-N 3.12Å; L424-S426 VanDerWaalsContact O-N 3.12Å; S426-R428 PolarHBondContact O-N 3Å; S426-R428 PolarHBondContact OG-N 2.76Å; S426-D431 WeakPolarHBondContact CB-OD2 3.43Å; S426-D431 PolarHBondContact OG-OD2 2.97Å
427	F	88.2	Confident	92.1	Very high	217 Å²	217	66.2 Å²	66.2	95%	0.952	32%	0.322	S	S	*	.	S	Bend	trans	-75.9	-12.1	172.2	-63.7	-78.6	0	0	0	112.9
428	R	88.4	Confident	92.1	Very high	175 Å²	175	65.1 Å²	65.1	66%	0.66	32%	0.315	S	S	*	.			trans	-80	125.5	-177.2	-62.8	-179.7	179.4	179.1	0.2	109.9	S426 E430 D431	S426-R428 PolarHBondContact O-N 3Å; S426-R428 PolarHBondContact OG-N 2.76Å; R428-E430 PolarHBondContact O-N 3.49Å; R428-D431 PolarHBondContact O-N 2.94Å; R428-D431 VanDerWaalsContact O-N 3.13Å
429	P	86.5	Confident	92.2	Very high	113 Å²	113	65.8 Å²	65.8	73%	0.734	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-64	-28.4	-178.7	25.1	-33.7	0	0	0	112.7	D431 A432	P429-D431 VanDerWaalsContact C-N 3.29Å; P429-D431 PolarHBondContact O-N 2.8Å; P429-A432 VanDerWaalsContact O-CB 3.28Å; P429-A432 WeakPolarHBondContact O-CB 3.31Å; P429-A432 PolarHBondContact O-N 3.33Å
430	E	85.7	Confident	92.2	Very high	133 Å²	133	60 Å²	60	62%	0.621	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-61.7	-37.3	176.6	-62.4	172	-166.5	0	0	112	R428 A432 S433 F459	R428-E430 PolarHBondContact O-N 3.49Å; E430-A432 VanDerWaalsContact C-N 3.26Å; E430-A432 PolarHBondContact O-N 3.16Å; E430-S433 PolarHBondContact O-OG 3.13Å; E430-F459 HydrophobicContact CB-CE2 4.3Å; E430-F459 HydrophobicContact CB-CZ 4.2Å
431	D	89.1	Confident	92.2	Very high	16 Å²	16	60.8 Å²	60.8	9%	0.086	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-72.6	-18.8	-179.8	-70.2	-37.1	0	0	0	112.8	L424 S426 R428 P429 S433 R434	L424-D431 HydrophobicContact CB-CB 4.48Å; L424-D431 HydrophobicContact CD1-CB 4.23Å; S426-D431 WeakPolarHBondContact CB-OD2 3.43Å; S426-D431 PolarHBondContact OG-OD2 2.97Å; R428-D431 PolarHBondContact O-N 2.94Å; R428-D431 VanDerWaalsContact O-N 3.13Å; P429-D431 VanDerWaalsContact C-N 3.29Å; P429-D431 PolarHBondContact O-N 2.8Å; D431-S433 PolarHBondContact O-N 3.43Å; D431-R434 WeakPolarHBondContact O-CB 3.3Å; D431-R434 PolarHBondContact O-N 3.19Å; D431-R434 VanDerWaalsContact OD1-CD 3.28Å; D431-R434 WeakPolarHBondContact OD1-CD 3.4Å; D431-R434 IonicContact OD1-CZ 2.79Å; D431-R434 IonicContact OD1-NE 2.91Å; D431-R434 IonicContact OD1-NH1 3.19Å; D431-R434 PolarHBondContact OD1-NH1 2.88Å
432	A	86.7	Confident	92.1	Very high	62 Å²	62	58.3 Å²	58.3	51%	0.512	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-63.6	-29.3	-176.1	0	0	0	0	0	113.1	P429 E430	P429-A432 VanDerWaalsContact O-CB 3.28Å; P429-A432 WeakPolarHBondContact O-CB 3.31Å; P429-A432 PolarHBondContact O-N 3.33Å; E430-A432 VanDerWaalsContact C-N 3.26Å; E430-A432 PolarHBondContact O-N 3.16Å
433	S	87.2	Confident	92	Very high	58 Å²	58	59 Å²	59	41%	0.406	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-81.8	-17.2	177.2	69	0	0	0	0	113.7	E430 D431 I454	E430-S433 PolarHBondContact O-OG 3.13Å; D431-S433 PolarHBondContact O-N 3.43Å; S433-I454 WeakPolarHBondContact O-CD1 3.28Å
434	R	92.2	Very high	91.9	Very high	31 Å²	31	56.7 Å²	56.7	12%	0.117	29%	0.292	C	S	.	.			trans	-75.8	131.1	-174.3	-60.9	172.2	69.8	-169.1	0.2	110.2	D431 F436 E451 F459	D431-R434 WeakPolarHBondContact O-CB 3.3Å; D431-R434 PolarHBondContact O-N 3.19Å; D431-R434 VanDerWaalsContact OD1-CD 3.28Å; D431-R434 WeakPolarHBondContact OD1-CD 3.4Å; D431-R434 IonicContact OD1-CZ 2.79Å; D431-R434 IonicContact OD1-NE 2.91Å; D431-R434 IonicContact OD1-NH1 3.19Å; D431-R434 PolarHBondContact OD1-NH1 2.88Å; R434-F436 HydrophobicContact CB-CE2 3.63Å; R434-F436 HydrophobicContact CB-CZ 3.88Å; R434-E451 IonicContact CZ-OE1 2.82Å; R434-E451 IonicContact CZ-OE2 2.65Å; R434-E451 IonicContact NE-OE1 3.17Å; R434-E451 PolarHBondContact NE-OE1 3.3Å; R434-E451 IonicContact NE-OE2 2.63Å; R434-E451 IonicContact NH2-OE1 2.79Å; R434-E451 PolarHBondContact NH2-OE1 2.84Å; R434-E451 IonicContact NH2-OE2 3.89Å; R434-E451 PolarHBondContact NH2-OE2 3.06Å; R434-F459 HydrophobicContact CG-CD2 3.87Å; R434-F459 HydrophobicContact CG-CE2 4.13Å; R434-F459 HydrophobicContact CG-CG 4.31Å
435	R	93	Very high	91.8	Very high	92 Å²	92	57.9 Å²	57.9	35%	0.347	30%	0.298	S	S	.	.			trans	-116.9	134.7	179.9	-59.7	-61.6	-177.7	165	-0.7	109.7	E421 E451 T452 I454	E421-R435 WeakPolarHBondContact OE1-CD 3.36Å; E421-R435 IonicContact OE1-NE 3.32Å; R435-E451 WeakPolarHBondContact O-CA 3.46Å; R435-T452 WeakPolarHBondContact CB-OG1 3.42Å; R435-T452 PolarHBondContact O-N 3.41Å; R435-T452 PolarHBondContact O-OG1 2.85Å; R435-I454 HydrophobicContact CG-CD1 4.37Å
436	F	96.1	Very high	91.9	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	142.9	-177.3	-58.6	-91	0	0	0	109.3	E421 A422 L424 R434 I449 F450 E451 F464 F501	E421-F436 CarbonylContact C-O 3.58Å; E421-F436 WeakPolarHBondContact CA-O 3.29Å; A422-F436 PolarHBondContact N-O 2.97Å; A422-F436 PolarHBondContact O-N 3.43Å; L424-F436 HydrophobicContact CB-CE2 4.39Å; L424-F436 HydrophobicContact CD1-CE2 3.54Å; L424-F436 HydrophobicContact CD1-CZ 3.48Å; L424-F436 VanDerWaalsContact CD1-CZ 3.48Å; L424-F436 HydrophobicContact CD2-CE2 4.48Å; L424-F436 HydrophobicContact CG-CD2 4.2Å; L424-F436 HydrophobicContact CG-CE2 3.46Å; L424-F436 VanDerWaalsContact CG-CE2 3.46Å; L424-F436 HydrophobicContact CG-CZ 3.85Å; R434-F436 HydrophobicContact CB-CE2 3.63Å; R434-F436 HydrophobicContact CB-CZ 3.88Å; F436-I449 HydrophobicContact CB-CG2 3.89Å; F436-I449 HydrophobicContact CD1-CG2 3.97Å; F436-I449 HydrophobicContact CG-CG2 4.31Å; F436-F450 CarbonylContact C-O 3.55Å; F436-F450 WeakPolarHBondContact CA-O 3.32Å; F436-E451 HydrophobicContact CD1-CB 3.79Å; F436-E451 HydrophobicContact CD1-CG 4.05Å; F436-E451 HydrophobicContact CE1-CB 3.72Å; F436-E451 HydrophobicContact CE1-CG 3.69Å; F436-E451 HydrophobicContact CZ-CG 4.17Å; F436-F464 HydrophobicContact CD1-CB 4.29Å; F436-F464 HydrophobicContact CD1-CD2 4.28Å; F436-F464 HydrophobicContact CD1-CG 4.25Å; F436-F464 HydrophobicContact CE1-CB 4.37Å; F436-F464 AromaticContact CE1-CD2 3.59Å; F436-F464 HydrophobicContact CE1-CD2 3.59Å; F436-F464 HydrophobicContact CE1-CE2 4.04Å; F436-F464 HydrophobicContact CE1-CG 4.01Å; F436-F464 HydrophobicContact CZ-CD2 4.48Å; F436-F501 HydrophobicContact CB-CD1 4.46Å; F436-F501 HydrophobicContact CB-CE1 4.28Å; F436-F501 HydrophobicContact CD1-CE1 4.09Å; F436-F501 HydrophobicContact CD2-CD1 4.3Å; F436-F501 AromaticContact CD2-CE1 3.98Å; F436-F501 HydrophobicContact CD2-CE1 3.98Å; F436-F501 HydrophobicContact CE1-CE1 4.46Å; F436-F501 HydrophobicContact CE2-CE1 4.38Å; F436-F501 HydrophobicContact CG-CD1 4.34Å; F436-F501 AromaticContact CG-CE1 3.83Å; F436-F501 HydrophobicContact CG-CE1 3.83Å
437	I	96.6	Very high	92.3	Very high	55 Å²	55	55.5 Å²	55.5	28%	0.282	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	111.2	170.9	-59.6	173	0	0	0	106.6	R419 Y420 I449 F450 T452	R419-I437 HydrophobicContact CB-CG2 4.31Å; Y420-I437 CarbonylContact O-C 3.56Å; Y420-I437 VanDerWaalsContact O-CA 3.3Å; Y420-I437 WeakPolarHBondContact O-CA 3.28Å; I437-I449 WeakPolarHBondContact O-CA 3.49Å; I437-F450 PolarHBondContact N-O 2.84Å; I437-F450 PolarHBondContact O-N 2.84Å; I437-T452 HydrophobicContact CD1-CG2 3.55Å; I437-T452 HydrophobicContact CG1-CG2 3.87Å
438	I	96.7	Very high	92.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	118.5	172.4	-56.9	-175.5	0	0	0	107.2	R419 Y420 A422 I447 I449 F488 I496 F501 I503	R419-I438 CarbonylContact C-O 3.54Å; R419-I438 WeakPolarHBondContact CA-O 3.29Å; Y420-I438 PolarHBondContact N-O 2.68Å; Y420-I438 PolarHBondContact O-N 2.98Å; A422-I438 HydrophobicContact CB-CD1 3.63Å; A422-I438 HydrophobicContact CB-CG1 3.9Å; I438-I447 HydrophobicContact CG2-CG2 3.65Å; I438-I449 HydrophobicContact CG1-CG1 4.25Å; I438-I449 HydrophobicContact CG1-CG2 4.37Å; I438-F488 HydrophobicContact CG2-CE1 3.96Å; I438-I496 HydrophobicContact CD1-CD1 4.42Å; I438-F501 HydrophobicContact CD1-CB 3.86Å; I438-F501 HydrophobicContact CD1-CG 4.1Å; I438-I503 HydrophobicContact CD1-CD1 3.8Å
439	S	96.6	Very high	93.1	Very high	15 Å²	15	38 Å²	38	11%	0.105	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	115.6	177.3	-59.2	0	0	0	0	109.6	L418 I447 S448	L418-S439 CarbonylContact O-C 3.58Å; L418-S439 WeakPolarHBondContact O-CA 3.36Å; S439-I447 WeakPolarHBondContact O-CA 2.95Å; S439-S448 PolarHBondContact N-O 3.5Å; S439-S448 PolarHBondContact O-N 3.34Å
440	Y	96.5	Very high	93.6	Very high	3 Å²	3	36.9 Å²	36.9	1%	0.012	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	118.1	173	-173	-81.7	0	0	0	109.6	V417 L418 L442 D445 I447 Y483 P485 F488	V417-Y440 WeakPolarHBondContact CA-O 3.34Å; L418-Y440 PolarHBondContact N-O 2.63Å; L418-Y440 PolarHBondContact O-N 3.22Å; Y440-L442 HydrophobicContact CD1-CD2 4.05Å; Y440-L442 HydrophobicContact CD1-CG 4.29Å; Y440-L442 HydrophobicContact CE1-CD2 3.91Å; Y440-L442 HydrophobicContact CE1-CG 4.48Å; Y440-D445 VanDerWaalsContact OH-CB 3.25Å; Y440-D445 WeakPolarHBondContact OH-CB 3.49Å; Y440-D445 VanDerWaalsContact OH-CG 3.24Å; Y440-D445 PolarHBondContact OH-OD1 2.95Å; Y440-I447 HydrophobicContact CD2-CD1 4.22Å; Y440-I447 HydrophobicContact CD2-CG1 3.65Å; Y440-I447 HydrophobicContact CE2-CD1 4.48Å; Y440-I447 HydrophobicContact CE2-CG1 4.21Å; Y440-Y483 WeakPolarHBondContact CE2-O 3.41Å; Y440-P485 HydrophobicContact CD1-CG 4.24Å; Y440-P485 HydrophobicContact CE1-CG 3.72Å; Y440-F488 HydrophobicContact CD2-CD2 4.34Å; Y440-F488 AromaticContact CD2-CE2 3.61Å; Y440-F488 HydrophobicContact CD2-CE2 3.61Å; Y440-F488 HydrophobicContact CD2-CZ 4.23Å; Y440-F488 HydrophobicContact CE2-CE2 4.14Å; Y440-F488 HydrophobicContact CG-CE2 4.47Å
441	H	95.9	Very high	94	Very high	18 Å²	18	31.3 Å²	31.3	8%	0.083	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	110.4	-178.4	-59.4	-86.4	0	0	0	109.3	V417 A443 D444 D445 M446 S448 R467	V417-H441 WeakPolarHBondContact CG2-ND1 3.44Å; H441-A443 PolarHBondContact O-N 2.76Å; H441-D444 PolarHBondContact O-N 2.75Å; H441-D445 WeakPolarHBondContact O-CA 3.43Å; H441-D445 PolarHBondContact O-N 3.29Å; H441-M446 PolarHBondContact CD2-O 2.87Å; H441-M446 PolarHBondContact N-O 2.81Å; H441-S448 PolarHBondContact NE2-OG 2.62Å; H441-R467 PolarHBondContact CE1-NE 2.87Å; H441-R467 PolarHBondContact CE1-NH2 3.39Å; H441-R467 PolarHBondContact ND1-NE 3.28Å; H441-R467 PolarHBondContact ND1-NH2 2.55Å; H441-R467 PolarHBondContact NE2-NE 3.42Å
442	L	93.7	Very high	94.2	Very high	11 Å²	11	32.6 Å²	32.6	6%	0.058	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-20.8	-173.3	-73.3	163.8	0	0	0	113.8	K409 Y413 K416 L418 Y440 P485 F513	K409-L442 WeakPolarHBondContact CE-O 3.22Å; Y413-L442 HydrophobicContact CD1-CB 3.91Å; Y413-L442 HydrophobicContact CD1-CD1 4.09Å; Y413-L442 HydrophobicContact CG-CB 4.05Å; K416-L442 HydrophobicContact CB-CB 4.43Å; K416-L442 HydrophobicContact CB-CD1 3.74Å; K416-L442 WeakPolarHBondContact O-CB 3.22Å; K416-L442 PolarHBondContact O-N 3.42Å; L418-L442 HydrophobicContact CD1-CD1 4.19Å; L418-L442 HydrophobicContact CD1-CD2 3.99Å; L418-L442 HydrophobicContact CD1-CG 4.25Å; L418-L442 HydrophobicContact CD2-CD1 3.95Å; L418-L442 HydrophobicContact CG-CD1 3.85Å; L418-L442 HydrophobicContact CG-CD2 4.4Å; L418-L442 HydrophobicContact CG-CG 4.1Å; Y440-L442 HydrophobicContact CD1-CD2 4.05Å; Y440-L442 HydrophobicContact CD1-CG 4.29Å; Y440-L442 HydrophobicContact CE1-CD2 3.91Å; Y440-L442 HydrophobicContact CE1-CG 4.48Å; L442-P485 HydrophobicContact CD2-CG 3.86Å; L442-F513 HydrophobicContact CD1-CD1 4.35Å; L442-F513 HydrophobicContact CD1-CD2 4.33Å; L442-F513 HydrophobicContact CD1-CE1 3.79Å; L442-F513 HydrophobicContact CD1-CE2 3.76Å; L442-F513 HydrophobicContact CD1-CZ 3.46Å; L442-F513 VanDerWaalsContact CD1-CZ 3.46Å; L442-F513 HydrophobicContact CD2-CE1 4.33Å; L442-F513 HydrophobicContact CD2-CZ 4.35Å
443	A	93.5	Very high	94.5	Very high	15 Å²	15	34.2 Å²	34.2	12%	0.124	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-41.7	178.8	0	0	0	0	0	113.5	H441	H441-A443 PolarHBondContact O-N 2.76Å
444	D	91.5	Very high	94.5	Very high	51 Å²	51	34.7 Å²	34.7	27%	0.273	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.8	1.6	-169.9	-59.9	-40.2	0	0	0	114	Q410 H441 M446 R469	Q410-D444 PolarHBondContact NE2-OD1 3.25Å; H441-D444 PolarHBondContact O-N 2.75Å; D444-M446 HydrophobicContact CB-CE 4.44Å; D444-M446 HydrophobicContact CB-CG 4.08Å; D444-M446 PolarHBondContact O-N 2.75Å; D444-R469 PolarHBondContact O-NE 2.77Å
445	D	93.3	Very high	94.3	Very high	44 Å²	44	44.3 Å²	44.3	24%	0.235	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	31.4	-173.9	-58.6	-45.7	0	0	0	113.9	K409 Y440 H441	K409-D445 IonicContact NZ-OD1 3.61Å; K409-D445 PolarHBondContact NZ-OD1 3.49Å; K409-D445 IonicContact NZ-OD2 3.71Å; K409-D445 PolarHBondContact NZ-OD2 2.78Å; Y440-D445 VanDerWaalsContact OH-CB 3.25Å; Y440-D445 WeakPolarHBondContact OH-CB 3.49Å; Y440-D445 VanDerWaalsContact OH-CG 3.24Å; Y440-D445 PolarHBondContact OH-OD1 2.95Å; H441-D445 WeakPolarHBondContact O-CA 3.43Å; H441-D445 PolarHBondContact O-N 3.29Å
446	M	94.5	Very high	93.9	Very high	56 Å²	56	48.2 Å²	48.2	28%	0.276	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	147.9	177.4	-65.7	-168.2	-173.8	0	0	111.5	H441 D444 R467 S468 R469	H441-M446 PolarHBondContact CD2-O 2.87Å; H441-M446 PolarHBondContact N-O 2.81Å; D444-M446 HydrophobicContact CB-CE 4.44Å; D444-M446 HydrophobicContact CB-CG 4.08Å; D444-M446 PolarHBondContact O-N 2.75Å; M446-R467 HydrophobicContact CB-CB 4.34Å; M446-R467 HydrophobicContact SD-CB 4.23Å; M446-S468 WeakPolarHBondContact CA-O 3.29Å; M446-R469 HydrophobicContact CE-CG 4.49Å; M446-R469 HydrophobicContact CG-CG 3.89Å
447	I	96.2	Very high	93.3	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	138.1	177.1	-63.9	155.2	0	0	0	108.9	I438 S439 Y440 I449 R467 S468 V470 F488 I496	I438-I447 HydrophobicContact CG2-CG2 3.65Å; S439-I447 WeakPolarHBondContact O-CA 2.95Å; Y440-I447 HydrophobicContact CD2-CD1 4.22Å; Y440-I447 HydrophobicContact CD2-CG1 3.65Å; Y440-I447 HydrophobicContact CE2-CD1 4.48Å; Y440-I447 HydrophobicContact CE2-CG1 4.21Å; I447-I449 HydrophobicContact CG2-CG1 4.36Å; I447-R467 WeakPolarHBondContact O-CA 3.42Å; I447-S468 PolarHBondContact N-O 2.92Å; I447-S468 PolarHBondContact O-N 2.98Å; I447-V470 HydrophobicContact CB-CG2 4.14Å; I447-V470 HydrophobicContact CD1-CB 3.98Å; I447-V470 HydrophobicContact CD1-CG2 3.92Å; I447-F488 HydrophobicContact CD1-CE2 4.29Å; I447-F488 HydrophobicContact CD1-CZ 3.69Å; I447-F488 HydrophobicContact CG1-CZ 4.17Å; I447-I496 HydrophobicContact CG2-CD1 4.39Å
448	S	96.5	Very high	92.7	Very high	21 Å²	21	50.8 Å²	50.8	15%	0.147	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	141.8	169.2	59.9	0	0	0	0	110.1	S439 H441 L465	S439-S448 PolarHBondContact N-O 3.5Å; S439-S448 PolarHBondContact O-N 3.34Å; H441-S448 PolarHBondContact NE2-OG 2.62Å; S448-L465 CarbonylContact C-O 3.6Å; S448-L465 WeakPolarHBondContact CA-O 3.5Å
449	I	96.9	Very high	92.3	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.01	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.2	-177.3	-51.5	174.5	0	0	0	108.7	F436 I437 I438 I447 F464 L465 I496 F501	F436-I449 HydrophobicContact CB-CG2 3.89Å; F436-I449 HydrophobicContact CD1-CG2 3.97Å; F436-I449 HydrophobicContact CG-CG2 4.31Å; I437-I449 WeakPolarHBondContact O-CA 3.49Å; I438-I449 HydrophobicContact CG1-CG1 4.25Å; I438-I449 HydrophobicContact CG1-CG2 4.37Å; I447-I449 HydrophobicContact CG2-CG1 4.36Å; I449-F464 HydrophobicContact CB-CB 4.14Å; I449-F464 HydrophobicContact CB-CD1 4.35Å; I449-F464 HydrophobicContact CD1-CD1 4.33Å; I449-F464 HydrophobicContact CG2-CB 3.94Å; I449-F464 HydrophobicContact CG2-CD1 4.21Å; I449-F464 HydrophobicContact CG2-CG 4.35Å; I449-F464 PolarHBondContact O-N 3.07Å; I449-L465 HydrophobicContact CB-CB 3.86Å; I449-L465 HydrophobicContact CD1-CB 3.97Å; I449-L465 HydrophobicContact CD1-CD2 3.94Å; I449-L465 HydrophobicContact CG1-CB 3.87Å; I449-L465 HydrophobicContact CG1-CD2 4.18Å; I449-L465 PolarHBondContact N-O 3.2Å; I449-L465 PolarHBondContact O-N 3.4Å; I449-I496 HydrophobicContact CD1-CD1 3.58Å; I449-I496 HydrophobicContact CD1-CG2 4.21Å; I449-I496 HydrophobicContact CG1-CD1 4.42Å; I449-F501 HydrophobicContact CD1-CD2 4.24Å; I449-F501 HydrophobicContact CD1-CE2 3.66Å; I449-F501 HydrophobicContact CD1-CZ 3.85Å; I449-F501 HydrophobicContact CG2-CE1 4.39Å; I449-F501 HydrophobicContact CG2-CZ 4.44Å
450	F	96.7	Very high	91.6	Very high	91 Å²	91	58.7 Å²	58.7	40%	0.399	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	124	178.1	-172.5	-91	0	0	0	110.3	F436 I437 G462	F436-F450 CarbonylContact C-O 3.55Å; F436-F450 WeakPolarHBondContact CA-O 3.32Å; I437-F450 PolarHBondContact N-O 2.84Å; I437-F450 PolarHBondContact O-N 2.84Å; F450-G462 CarbonylContact C-O 3.52Å
451	E	95.5	Very high	91.3	Very high	16 Å²	16	59.6 Å²	59.6	8%	0.075	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	126.2	175.3	-173.2	172.7	176.7	0	0	110.2	R434 R435 F436 G462	R434-E451 IonicContact CZ-OE1 2.82Å; R434-E451 IonicContact CZ-OE2 2.65Å; R434-E451 IonicContact NE-OE1 3.17Å; R434-E451 PolarHBondContact NE-OE1 3.3Å; R434-E451 IonicContact NE-OE2 2.63Å; R434-E451 IonicContact NH2-OE1 2.79Å; R434-E451 PolarHBondContact NH2-OE1 2.84Å; R434-E451 IonicContact NH2-OE2 3.89Å; R434-E451 PolarHBondContact NH2-OE2 3.06Å; R435-E451 WeakPolarHBondContact O-CA 3.46Å; F436-E451 HydrophobicContact CD1-CB 3.79Å; F436-E451 HydrophobicContact CD1-CG 4.05Å; F436-E451 HydrophobicContact CE1-CB 3.72Å; F436-E451 HydrophobicContact CE1-CG 3.69Å; F436-E451 HydrophobicContact CZ-CG 4.17Å; E451-G462 PolarHBondContact N-O 2.85Å; E451-G462 PolarHBondContact O-N 3.47Å
452	T	93.4	Very high	91.1	Very high	43 Å²	43	59.9 Å²	59.9	26%	0.264	34%	0.342	S	S	.	.			trans	-76.1	131	-179.9	55.8	0	0	0	0	110.4	R435 I437 I454	R435-T452 WeakPolarHBondContact CB-OG1 3.42Å; R435-T452 PolarHBondContact O-N 3.41Å; R435-T452 PolarHBondContact O-OG1 2.85Å; I437-T452 HydrophobicContact CD1-CG2 3.55Å; I437-T452 HydrophobicContact CG1-CG2 3.87Å; T452-I454 PolarHBondContact O-N 2.98Å
453	P	92	Very high	91.2	Very high	95 Å²	95	63.8 Å²	63.8	62%	0.617	37%	0.367	S	S	*	.			trans	-72.7	115.6	-179.2	28.3	-33.4	0	0	0	110.4
454	I	88.3	Confident	91.2	Very high	69 Å²	69	66.9 Å²	66.9	35%	0.354	38%	0.377	S	S	.	.			trans	-101.4	126.8	176.5	-61.2	169.8	0	0	0	108.4	S433 R435 T452 N456 S457	S433-I454 WeakPolarHBondContact O-CD1 3.28Å; R435-I454 HydrophobicContact CG-CD1 4.37Å; T452-I454 PolarHBondContact O-N 2.98Å; I454-N456 PolarHBondContact O-N 2.97Å; I454-S457 PolarHBondContact O-N 3.42Å; I454-S457 PolarHBondContact O-OG 3.14Å
455	R	86.8	Confident	91.4	Very high	233 Å²	233	65.9 Å²	65.9	88%	0.879	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	136.2	177.6	-68.6	-172.9	176.4	-149.4	-0.3	110.1	S457	R455-S457 PolarHBondContact O-N 2.74Å
456	N	84.5	Confident	91.5	Very high	174 Å²	174	71.9 Å²	71.9	93%	0.93	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.9	17.9	177.6	-49	-33.7	0	0	0	115.6	I454	I454-N456 PolarHBondContact O-N 2.97Å
457	S	83.9	Confident	91.5	Very high	33 Å²	33	76.7 Å²	76.7	23%	0.231	41%	0.411	C	S	.	.	S	Bend	trans	-80.7	-19.8	175.7	66.9	0	0	0	0	114.1	I454 R455 F459	I454-S457 PolarHBondContact O-N 3.42Å; I454-S457 PolarHBondContact O-OG 3.14Å; R455-S457 PolarHBondContact O-N 2.74Å; S457-F459 WeakPolarHBondContact O-CD2 3.18Å; S457-F459 PolarHBondContact O-N 3.16Å; S457-F459 PolarHBondContact OG-N 3.41Å; S457-F459 PolarHBondContact OG-O 3.14Å
458	G	85	Confident	91.4	Very high	75 Å²	75	78 Å²	78	77%	0.773	42%	0.42	S	S	*	.	S	Bend	trans	82.5	-8.3	-171.3	0	0	0	0	0	114.5
459	F	86.3	Confident	91.1	Very high	56 Å²	56	80.7 Å²	80.7	25%	0.246	43%	0.427	C	S	.	.			trans	-103.2	123.1	177.5	-62.5	-77.7	0	0	0	110.5	E430 R434 S457 G461	E430-F459 HydrophobicContact CB-CE2 4.3Å; E430-F459 HydrophobicContact CB-CZ 4.2Å; R434-F459 HydrophobicContact CG-CD2 3.87Å; R434-F459 HydrophobicContact CG-CE2 4.13Å; R434-F459 HydrophobicContact CG-CG 4.31Å; S457-F459 WeakPolarHBondContact O-CD2 3.18Å; S457-F459 PolarHBondContact O-N 3.16Å; S457-F459 PolarHBondContact OG-N 3.41Å; S457-F459 PolarHBondContact OG-O 3.14Å; F459-G461 PolarHBondContact O-N 3.07Å
460	P	82.9	Confident	90.9	Very high	126 Å²	126	80.7 Å²	80.7	82%	0.818	43%	0.427	S	S	*	.			trans	-67.3	-5.3	-173.1	23.2	-32	0	0	0	115.7
461	G	89.6	Confident	90.7	Very high	22 Å²	22	79.6 Å²	79.6	23%	0.227	42%	0.424	C	S	.	.			trans	60.7	-179.6	-173.4	0	0	0	0	0	112.8	F459	F459-G461 PolarHBondContact O-N 3.07Å
462	G	93.2	Very high	90.6	Very high	23 Å²	23	81.6 Å²	81.6	24%	0.237	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	115.3	-166.1	177.2	0	0	0	0	0	114.3	F450 E451 F464	F450-G462 CarbonylContact C-O 3.52Å; E451-G462 PolarHBondContact N-O 2.85Å; E451-G462 PolarHBondContact O-N 3.47Å; G462-F464 PolarHBondContact O-N 2.88Å; G462-F464 VanDerWaalsContact O-N 3.1Å
463	T	94.8	Very high	90.3	Very high	94 Å²	94	83.9 Å²	83.9	58%	0.577	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	109.5	-175	-51.2	0	0	0	0	111.2	K466	T463-K466 HydrophobicContact CG2-CG 3.96Å
464	F	94.1	Very high	89.9	Confident	79 Å²	79	83.4 Å²	83.4	35%	0.346	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	-42.7	175.9	-171.6	-87.4	0	0	0	111.5	F436 I449 G462 F501	F436-F464 HydrophobicContact CD1-CB 4.29Å; F436-F464 HydrophobicContact CD1-CD2 4.28Å; F436-F464 HydrophobicContact CD1-CG 4.25Å; F436-F464 HydrophobicContact CE1-CB 4.37Å; F436-F464 AromaticContact CE1-CD2 3.59Å; F436-F464 HydrophobicContact CE1-CD2 3.59Å; F436-F464 HydrophobicContact CE1-CE2 4.04Å; F436-F464 HydrophobicContact CE1-CG 4.01Å; F436-F464 HydrophobicContact CZ-CD2 4.48Å; I449-F464 HydrophobicContact CB-CB 4.14Å; I449-F464 HydrophobicContact CB-CD1 4.35Å; I449-F464 HydrophobicContact CD1-CD1 4.33Å; I449-F464 HydrophobicContact CG2-CB 3.94Å; I449-F464 HydrophobicContact CG2-CD1 4.21Å; I449-F464 HydrophobicContact CG2-CG 4.35Å; I449-F464 PolarHBondContact O-N 3.07Å; G462-F464 PolarHBondContact O-N 2.88Å; G462-F464 VanDerWaalsContact O-N 3.1Å; F464-F501 AromaticContact CD1-CZ 3.95Å; F464-F501 HydrophobicContact CD1-CZ 3.95Å; F464-F501 HydrophobicContact CE1-CE2 4.31Å; F464-F501 AromaticContact CE1-CZ 3.58Å; F464-F501 HydrophobicContact CE1-CZ 3.58Å; F464-F501 HydrophobicContact CZ-CZ 4.15Å
465	L	95.4	Very high	89.7	Confident	30 Å²	30	81.8 Å²	81.8	16%	0.157	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	122.4	175	-179.8	63.4	0	0	0	109.9	S448 I449 V470 I496 F497	S448-L465 CarbonylContact C-O 3.6Å; S448-L465 WeakPolarHBondContact CA-O 3.5Å; I449-L465 HydrophobicContact CB-CB 3.86Å; I449-L465 HydrophobicContact CD1-CB 3.97Å; I449-L465 HydrophobicContact CD1-CD2 3.94Å; I449-L465 HydrophobicContact CG1-CB 3.87Å; I449-L465 HydrophobicContact CG1-CD2 4.18Å; I449-L465 PolarHBondContact N-O 3.2Å; I449-L465 PolarHBondContact O-N 3.4Å; L465-V470 HydrophobicContact CD2-CG2 4.35Å; L465-I496 HydrophobicContact CD2-CG2 3.49Å; L465-I496 VanDerWaalsContact CD2-CG2 3.49Å; L465-F497 HydrophobicContact CD1-CD2 4.07Å; L465-F497 HydrophobicContact CD1-CE2 3.87Å; L465-F497 HydrophobicContact CD2-CD2 4.21Å; L465-F497 HydrophobicContact CD2-CE2 4.04Å
466	K	95.4	Very high	89.5	Confident	171 Å²	171	74.8 Å²	74.8	74%	0.743	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	156.1	170	-68.7	-177.8	179.6	178.3	0	110.1	T463 S468	T463-K466 HydrophobicContact CG2-CG 3.96Å; K466-S468 PolarHBondContact O-N 2.86Å; K466-S468 PolarHBondContact O-OG 3.46Å
467	R	94.3	Very high	89.3	Confident	157 Å²	157	71.3 Å²	71.3	59%	0.592	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-45.2	114.8	177.7	-74.5	-179.9	167.5	164	-4.6	111	H441 M446 I447	H441-R467 PolarHBondContact CE1-NE 2.87Å; H441-R467 PolarHBondContact CE1-NH2 3.39Å; H441-R467 PolarHBondContact ND1-NE 3.28Å; H441-R467 PolarHBondContact ND1-NH2 2.55Å; H441-R467 PolarHBondContact NE2-NE 3.42Å; M446-R467 HydrophobicContact CB-CB 4.34Å; M446-R467 HydrophobicContact SD-CB 4.23Å; I447-R467 WeakPolarHBondContact O-CA 3.42Å
468	S	93.3	Very high	89	Confident	28 Å²	28	73.3 Å²	73.3	20%	0.196	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	153.2	179.5	51.9	0	0	0	0	110	M446 I447 K466	M446-S468 WeakPolarHBondContact CA-O 3.29Å; I447-S468 PolarHBondContact N-O 2.92Å; I447-S468 PolarHBondContact O-N 2.98Å; K466-S468 PolarHBondContact O-N 2.86Å; K466-S468 PolarHBondContact O-OG 3.46Å
469	R	91.6	Very high	88.9	Confident	77 Å²	77	75.6 Å²	75.6	29%	0.291	42%	0.423	S	S	.	.			trans	-80.6	130.2	170.9	-70.5	-170.5	177.5	166.4	-0.3	109	E389 D444 M446 Y482	E389-R469 IonicContact OE1-CZ 2.82Å; E389-R469 IonicContact OE1-NH1 3.79Å; E389-R469 PolarHBondContact OE1-NH1 2.72Å; E389-R469 IonicContact OE2-NH1 3.93Å; D444-R469 PolarHBondContact O-NE 2.77Å; M446-R469 HydrophobicContact CE-CG 4.49Å; M446-R469 HydrophobicContact CG-CG 3.89Å; R469-Y482 HydrophobicContact CB-CD1 3.74Å; R469-Y482 HydrophobicContact CB-CE1 3.71Å
470	V	92.8	Very high	88.9	Confident	2 Å²	2	74.3 Å²	74.3	1%	0.012	42%	0.419	C	S	.	.			trans	-110.3	126.3	-177	-173.5	0	0	0	0	109.4	I447 L465 Y482 Y483 I496 F497	I447-V470 HydrophobicContact CB-CG2 4.14Å; I447-V470 HydrophobicContact CD1-CB 3.98Å; I447-V470 HydrophobicContact CD1-CG2 3.92Å; L465-V470 HydrophobicContact CD2-CG2 4.35Å; V470-Y482 WeakPolarHBondContact O-CA 3.47Å; V470-Y483 HydrophobicContact CB-CD2 3.95Å; V470-Y483 HydrophobicContact CG1-CD2 3.71Å; V470-Y483 HydrophobicContact CG1-CE2 3.77Å; V470-Y483 PolarHBondContact O-N 2.87Å; V470-I496 HydrophobicContact CG1-CB 4.21Å; V470-I496 HydrophobicContact CG1-CG1 4.16Å; V470-I496 HydrophobicContact CG1-CG2 3.92Å; V470-I496 HydrophobicContact CG2-CG2 3.87Å; V470-F497 HydrophobicContact CG2-CE2 4.25Å
471	I	92.1	Very high	89.3	Confident	68 Å²	68	73 Å²	73	35%	0.349	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-85.6	137.2	-179.4	-60.9	173	0	0	0	109.1	S475 P480 Y482	I471-S475 WeakPolarHBondContact CG2-OG 3.25Å; I471-P480 HydrophobicContact CD1-CB 4.11Å; I471-P480 HydrophobicContact CG1-CB 4.21Å; I471-P480 HydrophobicContact CG2-CB 4.43Å; I471-Y482 HydrophobicContact CD1-CE1 4.32Å; I471-Y482 HydrophobicContact CG1-CD1 3.84Å; I471-Y482 HydrophobicContact CG1-CE1 3.55Å
472	K	92.3	Very high	89.5	Confident	59 Å²	59	75.4 Å²	75.4	26%	0.257	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-67.8	143.6	175.3	-65	-171	-170	-170.5	0	111	G474 S475 I481 Y482 Y483 D487	K472-G474 PolarHBondContact O-N 3.49Å; K472-S475 PolarHBondContact O-N 3.15Å; K472-S475 PolarHBondContact O-OG 2.98Å; K472-S475 VanDerWaalsContact O-OG 3.04Å; K472-I481 WeakPolarHBondContact CB-O 3.43Å; K472-I481 HydrophobicContact CD-CG2 3.86Å; K472-I481 HydrophobicContact CG-CG2 4.37Å; K472-I481 WeakPolarHBondContact CG-O 3.4Å; K472-I481 PolarHBondContact N-O 2.95Å; K472-Y482 WeakPolarHBondContact CE-O 3.28Å; K472-Y483 HydrophobicContact CD-CD1 4.47Å; K472-Y483 HydrophobicContact CG-CD1 3.92Å; K472-Y483 HydrophobicContact CG-CD2 4.15Å; K472-Y483 HydrophobicContact CG-CE1 4Å; K472-Y483 HydrophobicContact CG-CE2 4.23Å; K472-Y483 HydrophobicContact CG-CG 4.02Å; K472-D487 WeakPolarHBondContact CE-OD1 3.3Å; K472-D487 WeakPolarHBondContact CE-OD2 3.39Å; K472-D487 IonicContact NZ-OD1 2.95Å; K472-D487 PolarHBondContact NZ-OD1 2.91Å; K472-D487 IonicContact NZ-OD2 3.07Å; K472-D487 PolarHBondContact NZ-OD2 2.81Å
473	P	88.1	Confident	89.5	Confident	91 Å²	91	75 Å²	75	59%	0.591	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	130.6	173.7	26.4	-34.1	0	0	0	110	Y483 D495	P473-Y483 WeakPolarHBondContact CD-OH 3.25Å; P473-D495 HydrophobicContact CG-CB 4.22Å
474	G	83.4	Confident	89.4	Confident	85 Å²	85	71.3 Å²	71.3	88%	0.876	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.4	-3.1	177.9	0	0	0	0	0	116.2	K472	K472-G474 PolarHBondContact O-N 3.49Å
475	S	84.5	Confident	89.3	Confident	34 Å²	34	68.5 Å²	68.5	24%	0.238	37%	0.369	C	S	.	.			trans	-84.9	147.6	173.2	57.9	0	0	0	0	112.6	I471 K472 I481	I471-S475 WeakPolarHBondContact CG2-OG 3.25Å; K472-S475 PolarHBondContact O-N 3.15Å; K472-S475 PolarHBondContact O-OG 2.98Å; K472-S475 VanDerWaalsContact O-OG 3.04Å; S475-I481 PolarHBondContact OG-N 3.33Å
476	T	82.3	Confident	89.1	Confident	86 Å²	86	71.3 Å²	71.3	53%	0.528	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-80.4	149.2	176.9	49.9	0	0	0	0	110.9	D478 N479	T476-D478 PolarHBondContact O-N 3.4Å; T476-N479 CarbonylContact O-C 3.59Å; T476-N479 PolarHBondContact O-N 3Å
477	L	79.5	Confident	88.9	Confident	102 Å²	102	65.3 Å²	65.3	53%	0.534	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-33.5	-179	-159.3	77	0	0	0	112.9	Y382 I388	Y382-L477 HydrophobicContact CD1-CD2 3.63Å; Y382-L477 HydrophobicContact CD1-CG 3.86Å; Y382-L477 HydrophobicContact CE1-CD2 4.17Å; Y382-L477 HydrophobicContact CE1-CG 4.41Å; I388-L477 WeakPolarHBondContact CD1-O 3.39Å
478	D	77.2	Confident	88.8	Confident	74 Å²	74	57.8 Å²	57.8	40%	0.396	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-26.4	179.6	-61.4	-40.4	0	0	0	113.3	P381 Y382 T476	P381-D478 WeakPolarHBondContact CA-OD1 3.41Å; Y382-D478 WeakPolarHBondContact CB-OD1 3.38Å; Y382-D478 PolarHBondContact N-OD1 3.41Å; T476-D478 PolarHBondContact O-N 3.4Å
479	N	83.6	Confident	88.7	Confident	124 Å²	124	58.1 Å²	58.1	66%	0.663	33%	0.333	S	S	*	.	B	Isolated β-bridge	trans	-131.4	71.5	-179.9	-72.2	-37.2	0	0	0	109.8	T476 I481	T476-N479 CarbonylContact O-C 3.59Å; T476-N479 PolarHBondContact O-N 3Å; N479-I481 PolarHBondContact O-N 3.11Å
480	P	86.4	Confident	88.7	Confident	28 Å²	28	55.4 Å²	55.4	18%	0.182	32%	0.324	C	S	.	.			trans	-69.6	131.2	-178.3	32.1	-38.9	0	0	0	110.2	I388 I471 Y482	I388-P480 HydrophobicContact CD1-CB 4.15Å; I388-P480 HydrophobicContact CD1-CG 3.54Å; I471-P480 HydrophobicContact CD1-CB 4.11Å; I471-P480 HydrophobicContact CG1-CB 4.21Å; I471-P480 HydrophobicContact CG2-CB 4.43Å; P480-Y482 HydrophobicContact CB-CE1 4.37Å; P480-Y482 HydrophobicContact CB-CE2 4.02Å; P480-Y482 HydrophobicContact CG-CE2 3.78Å
481	I	91.8	Very high	88.6	Confident	100 Å²	100	60.9 Å²	60.9	51%	0.513	35%	0.354	S	S	.	.			trans	-103.2	114.6	170.8	-57	174.1	0	0	0	106.6	K472 S475 N479	K472-I481 WeakPolarHBondContact CB-O 3.43Å; K472-I481 HydrophobicContact CD-CG2 3.86Å; K472-I481 HydrophobicContact CG-CG2 4.37Å; K472-I481 WeakPolarHBondContact CG-O 3.4Å; K472-I481 PolarHBondContact N-O 2.95Å; S475-I481 PolarHBondContact OG-N 3.33Å; N479-I481 PolarHBondContact O-N 3.11Å
482	Y	92.7	Very high	88.6	Confident	71 Å²	71	58.5 Å²	58.5	28%	0.278	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-86.5	153.4	179.7	-59.9	-78	0	0	0	111.4	R469 V470 I471 K472 P480	R469-Y482 HydrophobicContact CB-CD1 3.74Å; R469-Y482 HydrophobicContact CB-CE1 3.71Å; V470-Y482 WeakPolarHBondContact O-CA 3.47Å; I471-Y482 HydrophobicContact CD1-CE1 4.32Å; I471-Y482 HydrophobicContact CG1-CD1 3.84Å; I471-Y482 HydrophobicContact CG1-CE1 3.55Å; K472-Y482 WeakPolarHBondContact CE-O 3.28Å; P480-Y482 HydrophobicContact CB-CE1 4.37Å; P480-Y482 HydrophobicContact CB-CE2 4.02Å; P480-Y482 HydrophobicContact CG-CE2 3.78Å
483	Y	94.1	Very high	88.7	Confident	15 Å²	15	61.7 Å²	61.7	6%	0.059	36%	0.357	C	S	.	.			trans	-63.6	137.2	169.6	-74.5	-80.6	0	0	0	110.7	Y440 V470 K472 P473 D487 I494 D495	Y440-Y483 WeakPolarHBondContact CE2-O 3.41Å; V470-Y483 HydrophobicContact CB-CD2 3.95Å; V470-Y483 HydrophobicContact CG1-CD2 3.71Å; V470-Y483 HydrophobicContact CG1-CE2 3.77Å; V470-Y483 PolarHBondContact O-N 2.87Å; K472-Y483 HydrophobicContact CD-CD1 4.47Å; K472-Y483 HydrophobicContact CG-CD1 3.92Å; K472-Y483 HydrophobicContact CG-CD2 4.15Å; K472-Y483 HydrophobicContact CG-CE1 4Å; K472-Y483 HydrophobicContact CG-CE2 4.23Å; K472-Y483 HydrophobicContact CG-CG 4.02Å; P473-Y483 WeakPolarHBondContact CD-OH 3.25Å; Y483-D487 WeakPolarHBondContact CA-OD2 3.48Å; Y483-D487 HydrophobicContact CD1-CB 3.76Å; Y483-D487 HydrophobicContact CE1-CB 4.47Å; Y483-I494 HydrophobicContact CD1-CD1 4.43Å; Y483-I494 HydrophobicContact CD1-CG2 4.17Å; Y483-I494 HydrophobicContact CD2-CG2 4.44Å; Y483-I494 HydrophobicContact CE1-CD1 4.2Å; Y483-I494 HydrophobicContact CE1-CG2 3.84Å; Y483-I494 HydrophobicContact CE2-CG2 4.12Å; Y483-I494 HydrophobicContact CG-CG2 4.44Å; Y483-D495 WeakPolarHBondContact CE2-O 3.18Å; Y483-D495 PolarHBondContact OH-N 3.42Å; Y483-D495 PolarHBondContact OH-O 2.98Å
484	G	92.5	Very high	89	Confident	17 Å²	17	57.5 Å²	57.5	18%	0.175	33%	0.33	C	S	.	.			trans	-118.6	177.6	173.6	0	0	0	0	0	111.9	I486 D487 F488	G484-I486 PolarHBondContact O-N 3.19Å; G484-I486 VanDerWaalsContact O-N 3.14Å; G484-D487 PolarHBondContact N-OD2 2.83Å; G484-D487 PolarHBondContact O-N 3Å; G484-D487 VanDerWaalsContact O-N 3.11Å; G484-F488 WeakPolarHBondContact O-CD2 3.3Å; G484-F488 WeakPolarHBondContact O-CE2 3.13Å
485	P	91.9	Very high	89.5	Confident	19 Å²	19	55 Å²	55	12%	0.123	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-59	-28.9	-179.7	-23	33.6	0	0	0	113.5	L418 Y440 L442 D487 F488 F514 F521	L418-P485 HydrophobicContact CD1-CB 4.06Å; L418-P485 HydrophobicContact CD1-CG 4.48Å; Y440-P485 HydrophobicContact CD1-CG 4.24Å; Y440-P485 HydrophobicContact CE1-CG 3.72Å; L442-P485 HydrophobicContact CD2-CG 3.86Å; P485-D487 PolarHBondContact O-N 2.88Å; P485-F488 PolarHBondContact O-N 3.12Å; P485-F514 HydrophobicContact CB-CE1 4.31Å; P485-F514 HydrophobicContact CB-CZ 3.97Å; P485-F521 HydrophobicContact CB-CE1 3.85Å; P485-F521 HydrophobicContact CB-CZ 4.33Å; P485-F521 HydrophobicContact CG-CE1 4.32Å
486	I	91.7	Very high	89.9	Confident	90 Å²	90	53.5 Å²	53.5	46%	0.462	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-63.9	-27.3	-179.6	-60.2	162.3	0	0	0	112	G484 F488 F521 P522	G484-I486 PolarHBondContact O-N 3.19Å; G484-I486 VanDerWaalsContact O-N 3.14Å; I486-F488 VanDerWaalsContact C-N 3.31Å; I486-F488 PolarHBondContact O-N 2.79Å; I486-F521 HydrophobicContact CG1-CD1 3.79Å; I486-F521 HydrophobicContact CG1-CE1 4.27Å; I486-P522 HydrophobicContact CG2-CG 4.15Å
487	D	91.6	Very high	90.3	Very high	44 Å²	44	56.3 Å²	56.3	24%	0.235	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-78.8	-15.9	-176.2	-58.9	-61.9	0	0	0	113	K472 Y483 G484 P485 S489 S492 I494	K472-D487 WeakPolarHBondContact CE-OD1 3.3Å; K472-D487 WeakPolarHBondContact CE-OD2 3.39Å; K472-D487 IonicContact NZ-OD1 2.95Å; K472-D487 PolarHBondContact NZ-OD1 2.91Å; K472-D487 IonicContact NZ-OD2 3.07Å; K472-D487 PolarHBondContact NZ-OD2 2.81Å; Y483-D487 WeakPolarHBondContact CA-OD2 3.48Å; Y483-D487 HydrophobicContact CD1-CB 3.76Å; Y483-D487 HydrophobicContact CE1-CB 4.47Å; G484-D487 PolarHBondContact N-OD2 2.83Å; G484-D487 PolarHBondContact O-N 3Å; G484-D487 VanDerWaalsContact O-N 3.11Å; P485-D487 PolarHBondContact O-N 2.88Å; D487-S489 PolarHBondContact O-N 3.38Å; D487-S492 PolarHBondContact O-OG 3.33Å; D487-I494 HydrophobicContact CB-CD1 4.48Å; D487-I494 WeakPolarHBondContact O-CD1 3.43Å
488	F	91.9	Very high	90.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.296	C	S	.	.			trans	-94.2	69.9	-174.6	-65.3	-84.6	0	0	0	112	Y420 I438 Y440 I447 G484 P485 I486 I494 I503	Y420-F488 HydrophobicContact CD1-CB 4.26Å; Y420-F488 HydrophobicContact CD2-CB 4.39Å; Y420-F488 HydrophobicContact CD2-CD1 4.28Å; Y420-F488 HydrophobicContact CD2-CG 4.38Å; Y420-F488 HydrophobicContact CE1-CB 3.78Å; Y420-F488 HydrophobicContact CE2-CB 3.92Å; Y420-F488 HydrophobicContact CE2-CD1 4.37Å; Y420-F488 HydrophobicContact CE2-CG 4.03Å; I438-F488 HydrophobicContact CG2-CE1 3.96Å; Y440-F488 HydrophobicContact CD2-CD2 4.34Å; Y440-F488 AromaticContact CD2-CE2 3.61Å; Y440-F488 HydrophobicContact CD2-CE2 3.61Å; Y440-F488 HydrophobicContact CD2-CZ 4.23Å; Y440-F488 HydrophobicContact CE2-CE2 4.14Å; Y440-F488 HydrophobicContact CG-CE2 4.47Å; I447-F488 HydrophobicContact CD1-CE2 4.29Å; I447-F488 HydrophobicContact CD1-CZ 3.69Å; I447-F488 HydrophobicContact CG1-CZ 4.17Å; G484-F488 WeakPolarHBondContact O-CD2 3.3Å; G484-F488 WeakPolarHBondContact O-CE2 3.13Å; P485-F488 PolarHBondContact O-N 3.12Å; I486-F488 VanDerWaalsContact C-N 3.31Å; I486-F488 PolarHBondContact O-N 2.79Å; F488-I494 HydrophobicContact CD1-CD1 4.05Å; F488-I494 HydrophobicContact CD1-CG1 3.96Å; F488-I494 HydrophobicContact CE1-CD1 4.11Å; F488-I494 HydrophobicContact CE1-CG1 3.84Å; F488-I494 HydrophobicContact CE1-CG2 4.08Å; F488-I494 HydrophobicContact CZ-CG2 4.39Å; F488-I503 HydrophobicContact CD1-CD1 4.06Å; F488-I503 HydrophobicContact CD1-CG1 4.42Å
489	S	90.5	Very high	91.5	Very high	34 Å²	34	53.4 Å²	53.4	24%	0.238	29%	0.292	C	S	.	.			trans	-92.2	164	169.8	69.8	0	0	0	0	111.9	D487 N491 S492 I503 L525	D487-S489 PolarHBondContact O-N 3.38Å; S489-N491 PolarHBondContact O-N 2.79Å; S489-S492 PolarHBondContact N-OG 2.76Å; S489-S492 WeakPolarHBondContact O-CB 3.4Å; S489-S492 PolarHBondContact O-N 3.34Å; S489-S492 VanDerWaalsContact O-N 3.08Å; S489-S492 PolarHBondContact O-OG 2.95Å; S489-S492 WeakPolarHBondContact OG-CB 3.37Å; S489-I503 WeakPolarHBondContact O-CB 3.43Å; S489-L525 VanDerWaalsContact CB-CD1 3.46Å
490	I	91.5	Very high	92	Very high	20 Å²	20	54.1 Å²	54.1	10%	0.103	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	136.1	177	-64.7	172.8	0	0	0	109	S492 V506 L529 H532	I490-S492 PolarHBondContact O-N 2.66Å; I490-V506 HydrophobicContact CD1-CG2 3.97Å; I490-V506 HydrophobicContact CG1-CG2 3.68Å; I490-L529 HydrophobicContact CD1-CD2 3.79Å; I490-L529 HydrophobicContact CG1-CD2 3.87Å; I490-H532 HydrophobicContact CD1-CB 3.11Å
491	N	91.8	Very high	92.4	Very high	118 Å²	118	52.8 Å²	52.8	63%	0.631	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	6	-170.1	-55	-53.5	0	0	0	115.7	S489 I503	S489-N491 PolarHBondContact O-N 2.79Å; N491-I503 WeakPolarHBondContact CA-O 3.31Å; N491-I503 PolarHBondContact N-O 3.19Å
492	S	92	Very high	92.6	Very high	17 Å²	17	48.6 Å²	48.6	12%	0.119	26%	0.256	C	S	.	.			trans	-63.2	143.6	170.6	63	0	0	0	0	111.3	D487 S489 I490 I502 I503	D487-S492 PolarHBondContact O-OG 3.33Å; S489-S492 PolarHBondContact N-OG 2.76Å; S489-S492 WeakPolarHBondContact O-CB 3.4Å; S489-S492 PolarHBondContact O-N 3.34Å; S489-S492 VanDerWaalsContact O-N 3.08Å; S489-S492 PolarHBondContact O-OG 2.95Å; S489-S492 WeakPolarHBondContact OG-CB 3.37Å; I490-S492 PolarHBondContact O-N 2.66Å; S492-I502 WeakPolarHBondContact O-CA 3.41Å; S492-I503 PolarHBondContact O-N 2.85Å; S492-I503 VanDerWaalsContact O-N 3.12Å; S492-I503 VanDerWaalsContact OG-CG1 3.32Å; S492-I503 WeakPolarHBondContact OG-CG1 3.4Å
493	K	93.8	Very high	92.8	Very high	127 Å²	127	45.2 Å²	45.2	55%	0.552	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99	111	174.5	-66.7	-169.8	178.7	-155.1	0	109.5	D425 F501 I502	D425-K493 IonicContact OD1-NZ 2.81Å; D425-K493 WeakPolarHBondContact OD2-CE 3.4Å; D425-K493 IonicContact OD2-NZ 3.31Å; D425-K493 PolarHBondContact OD2-NZ 2.89Å; K493-F501 CarbonylContact C-O 3.55Å; K493-F501 WeakPolarHBondContact CA-O 3.4Å; K493-I502 HydrophobicContact CG-CG1 4.03Å
494	I	94.3	Very high	92.7	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.015	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	117.6	178.8	-48	-62.7	0	0	0	108.5	Y483 D487 F488 I496 R500 F501 I503	Y483-I494 HydrophobicContact CD1-CD1 4.43Å; Y483-I494 HydrophobicContact CD1-CG2 4.17Å; Y483-I494 HydrophobicContact CD2-CG2 4.44Å; Y483-I494 HydrophobicContact CE1-CD1 4.2Å; Y483-I494 HydrophobicContact CE1-CG2 3.84Å; Y483-I494 HydrophobicContact CE2-CG2 4.12Å; Y483-I494 HydrophobicContact CG-CG2 4.44Å; D487-I494 HydrophobicContact CB-CD1 4.48Å; D487-I494 WeakPolarHBondContact O-CD1 3.43Å; F488-I494 HydrophobicContact CD1-CD1 4.05Å; F488-I494 HydrophobicContact CD1-CG1 3.96Å; F488-I494 HydrophobicContact CE1-CD1 4.11Å; F488-I494 HydrophobicContact CE1-CG1 3.84Å; F488-I494 HydrophobicContact CE1-CG2 4.08Å; F488-I494 HydrophobicContact CZ-CG2 4.39Å; I494-I496 HydrophobicContact CB-CG1 4.5Å; I494-I496 HydrophobicContact CG2-CD1 3.82Å; I494-I496 HydrophobicContact CG2-CG1 3.65Å; I494-R500 WeakPolarHBondContact O-CA 3.42Å; I494-F501 PolarHBondContact N-O 3.39Å; I494-F501 PolarHBondContact O-N 3.41Å; I494-I503 HydrophobicContact CG1-CD1 4.27Å; I494-I503 HydrophobicContact CG1-CG1 4.23Å
495	D	94.1	Very high	92.8	Very high	33 Å²	33	46.3 Å²	46.3	18%	0.176	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	114.5	174.7	-161.3	-35.9	0	0	0	109.6	P473 Y483 G498 R500	P473-D495 HydrophobicContact CG-CB 4.22Å; Y483-D495 WeakPolarHBondContact CE2-O 3.18Å; Y483-D495 PolarHBondContact OH-N 3.42Å; Y483-D495 PolarHBondContact OH-O 2.98Å; D495-G498 VanDerWaalsContact OD1-CA 3.29Å; D495-G498 WeakPolarHBondContact OD1-CA 3.16Å; D495-G498 PolarHBondContact OD1-N 3.37Å; D495-R500 HydrophobicContact CB-CG 4.29Å; D495-R500 IonicContact OD2-NE 2.98Å; D495-R500 PolarHBondContact OD2-NE 3.14Å
496	I	93.8	Very high	92.8	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	108.9	-176.7	-54.3	-179.1	0	0	0	108.1	I438 I447 I449 L465 V470 I494 G498 T499 F501	I438-I496 HydrophobicContact CD1-CD1 4.42Å; I447-I496 HydrophobicContact CG2-CD1 4.39Å; I449-I496 HydrophobicContact CD1-CD1 3.58Å; I449-I496 HydrophobicContact CD1-CG2 4.21Å; I449-I496 HydrophobicContact CG1-CD1 4.42Å; L465-I496 HydrophobicContact CD2-CG2 3.49Å; L465-I496 VanDerWaalsContact CD2-CG2 3.49Å; V470-I496 HydrophobicContact CG1-CB 4.21Å; V470-I496 HydrophobicContact CG1-CG1 4.16Å; V470-I496 HydrophobicContact CG1-CG2 3.92Å; V470-I496 HydrophobicContact CG2-CG2 3.87Å; I494-I496 HydrophobicContact CB-CG1 4.5Å; I494-I496 HydrophobicContact CG2-CD1 3.82Å; I494-I496 HydrophobicContact CG2-CG1 3.65Å; I496-G498 PolarHBondContact O-N 3Å; I496-G498 VanDerWaalsContact O-N 3.12Å; I496-T499 PolarHBondContact N-O 3.14Å; I496-T499 PolarHBondContact O-N 3.2Å; I496-T499 PolarHBondContact O-OG1 3.06Å; I496-F501 HydrophobicContact CB-CD2 4.33Å; I496-F501 HydrophobicContact CB-CE2 4.24Å; I496-F501 HydrophobicContact CD1-CD2 4Å; I496-F501 HydrophobicContact CD1-CE2 4.36Å; I496-F501 HydrophobicContact CG1-CD2 4.24Å
497	F	90.5	Very high	92.8	Very high	145 Å²	145	44.3 Å²	44.3	64%	0.636	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.2	36.6	-178.6	-59.3	-66.9	0	0	0	113.9	L465 V470 T499	L465-F497 HydrophobicContact CD1-CD2 4.07Å; L465-F497 HydrophobicContact CD1-CE2 3.87Å; L465-F497 HydrophobicContact CD2-CD2 4.21Å; L465-F497 HydrophobicContact CD2-CE2 4.04Å; V470-F497 HydrophobicContact CG2-CE2 4.25Å; F497-T499 VanDerWaalsContact C-N 3.33Å
498	G	88.8	Confident	92.8	Very high	63 Å²	63	47.5 Å²	47.5	65%	0.649	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.1	-5.2	-179.7	0	0	0	0	0	114.7	D495 I496	D495-G498 VanDerWaalsContact OD1-CA 3.29Å; D495-G498 WeakPolarHBondContact OD1-CA 3.16Å; D495-G498 PolarHBondContact OD1-N 3.37Å; I496-G498 PolarHBondContact O-N 3Å; I496-G498 VanDerWaalsContact O-N 3.12Å
499	T	92.5	Very high	92.8	Very high	52 Å²	52	51.7 Å²	51.7	32%	0.319	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	126.8	172	55.9	0	0	0	0	110.3	I496 F497 F501	I496-T499 PolarHBondContact N-O 3.14Å; I496-T499 PolarHBondContact O-N 3.2Å; I496-T499 PolarHBondContact O-OG1 3.06Å; F497-T499 VanDerWaalsContact C-N 3.33Å; T499-F501 WeakPolarHBondContact OG1-CE2 3.19Å
500	R	94.3	Very high	92.9	Very high	139 Å²	139	50 Å²	50	53%	0.525	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	128.5	-176.7	-66.5	178.7	-174.8	168.8	2.9	110.7	D425 I494 D495	D425-R500 HydrophobicContact CB-CB 3.92Å; D425-R500 PolarHBondContact N-O 2.9Å; I494-R500 WeakPolarHBondContact O-CA 3.42Å; D495-R500 HydrophobicContact CB-CG 4.29Å; D495-R500 IonicContact OD2-NE 2.98Å; D495-R500 PolarHBondContact OD2-NE 3.14Å
501	F	95.5	Very high	92.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	138.1	176.8	-65.4	-87.6	0	0	0	109.9	A422 R423 L424 F436 I438 I449 F464 K493 I494 I496 T499	A422-F501 HydrophobicContact CB-CB 4.19Å; A422-F501 HydrophobicContact CB-CD1 4.43Å; R423-F501 WeakPolarHBondContact O-CA 3.44Å; L424-F501 HydrophobicContact CD2-CD1 3.9Å; L424-F501 HydrophobicContact CD2-CE1 3.4Å; L424-F501 VanDerWaalsContact CD2-CE1 3.4Å; L424-F501 HydrophobicContact CD2-CE2 4.4Å; L424-F501 HydrophobicContact CD2-CZ 3.69Å; L424-F501 HydrophobicContact CG-CD1 4.4Å; L424-F501 HydrophobicContact CG-CE1 4Å; F436-F501 HydrophobicContact CB-CD1 4.46Å; F436-F501 HydrophobicContact CB-CE1 4.28Å; F436-F501 HydrophobicContact CD1-CE1 4.09Å; F436-F501 HydrophobicContact CD2-CD1 4.3Å; F436-F501 AromaticContact CD2-CE1 3.98Å; F436-F501 HydrophobicContact CD2-CE1 3.98Å; F436-F501 HydrophobicContact CE1-CE1 4.46Å; F436-F501 HydrophobicContact CE2-CE1 4.38Å; F436-F501 HydrophobicContact CG-CD1 4.34Å; F436-F501 AromaticContact CG-CE1 3.83Å; F436-F501 HydrophobicContact CG-CE1 3.83Å; I438-F501 HydrophobicContact CD1-CB 3.86Å; I438-F501 HydrophobicContact CD1-CG 4.1Å; I449-F501 HydrophobicContact CD1-CD2 4.24Å; I449-F501 HydrophobicContact CD1-CE2 3.66Å; I449-F501 HydrophobicContact CD1-CZ 3.85Å; I449-F501 HydrophobicContact CG2-CE1 4.39Å; I449-F501 HydrophobicContact CG2-CZ 4.44Å; F464-F501 AromaticContact CD1-CZ 3.95Å; F464-F501 HydrophobicContact CD1-CZ 3.95Å; F464-F501 HydrophobicContact CE1-CE2 4.31Å; F464-F501 AromaticContact CE1-CZ 3.58Å; F464-F501 HydrophobicContact CE1-CZ 3.58Å; F464-F501 HydrophobicContact CZ-CZ 4.15Å; K493-F501 CarbonylContact C-O 3.55Å; K493-F501 WeakPolarHBondContact CA-O 3.4Å; I494-F501 PolarHBondContact N-O 3.39Å; I494-F501 PolarHBondContact O-N 3.41Å; I496-F501 HydrophobicContact CB-CD2 4.33Å; I496-F501 HydrophobicContact CB-CE2 4.24Å; I496-F501 HydrophobicContact CD1-CD2 4Å; I496-F501 HydrophobicContact CD1-CE2 4.36Å; I496-F501 HydrophobicContact CG1-CD2 4.24Å; T499-F501 WeakPolarHBondContact OG1-CE2 3.19Å
502	I	95.7	Very high	92.8	Very high	12 Å²	12	49.4 Å²	49.4	6%	0.062	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	122.4	170.5	-64.7	160.5	0	0	0	107.4	A422 R423 D425 S492 K493 T504	A422-I502 CarbonylContact C-O 3.57Å; A422-I502 WeakPolarHBondContact CA-O 3.39Å; A422-I502 WeakPolarHBondContact CB-O 3.45Å; R423-I502 HydrophobicContact CG-CB 4.23Å; R423-I502 PolarHBondContact N-O 2.53Å; R423-I502 PolarHBondContact O-N 3.23Å; D425-I502 HydrophobicContact CB-CD1 3.78Å; D425-I502 HydrophobicContact CB-CG1 4.04Å; S492-I502 WeakPolarHBondContact O-CA 3.41Å; K493-I502 HydrophobicContact CG-CG1 4.03Å; I502-T504 PolarHBondContact O-N 2.9Å
503	I	95.7	Very high	92.8	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	121.8	173.4	-54.5	-55.6	0	0	0	108.8	Y420 A422 I438 F488 S489 N491 S492 I494 V506	Y420-I503 HydrophobicContact CD1-CG2 4.27Å; A422-I503 HydrophobicContact CB-CD1 4.07Å; I438-I503 HydrophobicContact CD1-CD1 3.8Å; F488-I503 HydrophobicContact CD1-CD1 4.06Å; F488-I503 HydrophobicContact CD1-CG1 4.42Å; S489-I503 WeakPolarHBondContact O-CB 3.43Å; N491-I503 WeakPolarHBondContact CA-O 3.31Å; N491-I503 PolarHBondContact N-O 3.19Å; S492-I503 PolarHBondContact O-N 2.85Å; S492-I503 VanDerWaalsContact O-N 3.12Å; S492-I503 VanDerWaalsContact OG-CG1 3.32Å; S492-I503 WeakPolarHBondContact OG-CG1 3.4Å; I494-I503 HydrophobicContact CG1-CD1 4.27Å; I494-I503 HydrophobicContact CG1-CG1 4.23Å; I503-V506 HydrophobicContact CG2-CG2 4.37Å
504	T	93.3	Very high	92.7	Very high	26 Å²	26	43 Å²	43	16%	0.16	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	-33.9	-176.8	51.5	0	0	0	0	113.6	E421 R423 I502 H532	E421-T504 PolarHBondContact O-N 2.96Å; E421-T504 PolarHBondContact O-OG1 3.01Å; R423-T504 HydrophobicContact CB-CG2 4.23Å; R423-T504 HydrophobicContact CG-CG2 3.68Å; I502-T504 PolarHBondContact O-N 2.9Å; T504-H532 PolarHBondContact O-CE1 3.28Å; T504-H532 PolarHBondContact O-NE2 2.97Å
505	D	93.1	Very high	92.5	Very high	29 Å²	29	46.9 Å²	46.9	16%	0.155	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	165	-177.1	-162.7	-7.3	0	0	0	109.1	E421 H532 K536	E421-D505 HydrophobicContact CB-CB 3.81Å; E421-D505 PolarHBondContact N-O 3.45Å; E421-D505 PolarHBondContact O-N 3.06Å; E421-D505 WeakPolarHBondContact OE2-CB 3.4Å; D505-H532 IonicContact OD1-CD2 3.5Å; D505-H532 IonicContact OD1-NE2 2.66Å; D505-H532 PolarHBondContact OD1-NE2 2.85Å; D505-K536 VanDerWaalsContact CG-NZ 3.26Å; D505-K536 IonicContact OD1-NZ 3.98Å; D505-K536 PolarHBondContact OD1-NZ 2.88Å; D505-K536 WeakPolarHBondContact OD2-CE 3.36Å; D505-K536 IonicContact OD2-NZ 3.91Å; D505-K536 PolarHBondContact OD2-NZ 2.95Å
506	V	92.7	Very high	92.3	Very high	7 Å²	7	49.5 Å²	49.5	4%	0.042	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	140.9	-173.8	-176	0	0	0	0	109.7	Y420 I490 I503 V510 I511 L529	Y420-V506 HydrophobicContact CD1-CB 4.33Å; Y420-V506 HydrophobicContact CD1-CG1 3.9Å; Y420-V506 HydrophobicContact CD1-CG2 3.84Å; Y420-V506 HydrophobicContact CE1-CG1 3.92Å; Y420-V506 HydrophobicContact CE1-CG2 4.32Å; I490-V506 HydrophobicContact CD1-CG2 3.97Å; I490-V506 HydrophobicContact CG1-CG2 3.68Å; I503-V506 HydrophobicContact CG2-CG2 4.37Å; V506-V510 HydrophobicContact CG1-CB 3.48Å; V506-V510 VanDerWaalsContact CG1-CB 3.48Å; V506-V510 HydrophobicContact CG1-CG1 3.5Å; V506-V510 VanDerWaalsContact CG1-CG1 3.5Å; V506-V510 HydrophobicContact CG1-CG2 4.07Å; V506-I511 HydrophobicContact CG1-CG1 4.33Å; V506-L529 HydrophobicContact CB-CD2 4.2Å; V506-L529 HydrophobicContact CG1-CD2 4.16Å; V506-L529 HydrophobicContact CG2-CD2 3.64Å
507	D	92.4	Very high	92.1	Very high	60 Å²	60	51.1 Å²	51.1	32%	0.321	26%	0.263	S	S	.	.			trans	-67.7	143.6	176.2	-167.2	1.6	0	0	0	110.6	R419 Y509 V510	R419-D507 HydrophobicContact CB-CB 3.97Å; R419-D507 IonicContact NH1-OD2 3.49Å; R419-D507 VanDerWaalsContact O-CB 3.32Å; R419-D507 WeakPolarHBondContact O-CB 3.49Å; R419-D507 PolarHBondContact O-N 3.06Å; D507-Y509 PolarHBondContact O-N 3.24Å; D507-Y509 VanDerWaalsContact O-N 3.15Å; D507-V510 HydrophobicContact CB-CG2 4.18Å; D507-V510 WeakPolarHBondContact O-CB 3.42Å; D507-V510 PolarHBondContact O-N 2.78Å
508	E	90.2	Very high	91.9	Very high	110 Å²	110	48.1 Å²	48.1	51%	0.514	25%	0.251	S	S	.	.	H	α-helix	trans	-59.4	-32.4	-177.4	-168.2	-167.4	154.2	0	0	111.4	V510 I511 K512	E508-V510 VanDerWaalsContact C-N 3.28Å; E508-V510 PolarHBondContact O-N 3.48Å; E508-I511 PolarHBondContact O-N 2.56Å; E508-K512 PolarHBondContact O-N 3.04Å; E508-K512 VanDerWaalsContact O-N 3.17Å; E508-K512 WeakPolarHBondContact OE1-CE 3.2Å; E508-K512 IonicContact OE1-NZ 2.76Å; E508-K512 PolarHBondContact OE1-NZ 3.28Å
509	Y	92.6	Very high	91.9	Very high	88 Å²	88	54.5 Å²	54.5	35%	0.345	26%	0.264	S	S	.	.	H	α-helix	trans	-58.6	-38.3	174.6	175.9	-104.4	0	0	0	112.9	K416 L418 D507 K512 F513	K416-Y509 WeakPolarHBondContact CG-OH 3.41Å; L418-Y509 HydrophobicContact CD2-CD1 4.49Å; L418-Y509 HydrophobicContact CD2-CE1 4.25Å; D507-Y509 PolarHBondContact O-N 3.24Å; D507-Y509 VanDerWaalsContact O-N 3.15Å; Y509-K512 PolarHBondContact O-N 3.07Å; Y509-F513 WeakPolarHBondContact O-CB 3.33Å; Y509-F513 PolarHBondContact O-N 3.02Å
510	V	92.2	Very high	91.6	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-65.6	-43.9	-178.7	175.4	0	0	0	0	110.1	L418 R419 Y420 V506 D507 E508 K512 F513 F514	L418-V510 HydrophobicContact CB-CG1 4.38Å; L418-V510 HydrophobicContact CB-CG2 3.74Å; L418-V510 HydrophobicContact CD2-CB 4.33Å; L418-V510 HydrophobicContact CD2-CG1 4.25Å; L418-V510 HydrophobicContact CD2-CG2 3.97Å; L418-V510 HydrophobicContact CG-CG2 4.45Å; R419-V510 VanDerWaalsContact N-CG2 3.3Å; R419-V510 WeakPolarHBondContact O-CG2 3.29Å; Y420-V510 HydrophobicContact CE1-CG1 3.76Å; V506-V510 HydrophobicContact CG1-CB 3.48Å; V506-V510 VanDerWaalsContact CG1-CB 3.48Å; V506-V510 HydrophobicContact CG1-CG1 3.5Å; V506-V510 VanDerWaalsContact CG1-CG1 3.5Å; V506-V510 HydrophobicContact CG1-CG2 4.07Å; D507-V510 HydrophobicContact CB-CG2 4.18Å; D507-V510 WeakPolarHBondContact O-CB 3.42Å; D507-V510 PolarHBondContact O-N 2.78Å; E508-V510 VanDerWaalsContact C-N 3.28Å; E508-V510 PolarHBondContact O-N 3.48Å; V510-K512 PolarHBondContact O-N 3.29Å; V510-F513 WeakPolarHBondContact O-CB 2.91Å; V510-F513 PolarHBondContact O-N 3.07Å; V510-F513 VanDerWaalsContact O-N 3.11Å; V510-F514 HydrophobicContact CG1-CD2 3.51Å; V510-F514 HydrophobicContact CG1-CE2 3.35Å; V510-F514 WeakPolarHBondContact O-CD2 3.16Å; V510-F514 PolarHBondContact O-N 3.41Å
511	I	90	Very high	91.2	Very high	13 Å²	13	52 Å²	52	7%	0.067	25%	0.254	C	S	.	.	H	α-helix	trans	-61	-49.2	178.8	-59.6	172	0	0	0	109.9	V506 E508 F513 F514 E515 L529 L533	V506-I511 HydrophobicContact CG1-CG1 4.33Å; E508-I511 PolarHBondContact O-N 2.56Å; I511-F513 PolarHBondContact O-N 3.02Å; I511-F514 PolarHBondContact O-N 3.38Å; I511-E515 WeakPolarHBondContact O-CG 3.34Å; I511-E515 PolarHBondContact O-N 3.05Å; I511-L529 HydrophobicContact CG1-CB 4.35Å; I511-L533 HydrophobicContact CD1-CB 4.05Å; I511-L533 HydrophobicContact CD1-CD1 3.51Å; I511-L533 HydrophobicContact CD1-CG 4.38Å; I511-L533 HydrophobicContact CG2-CD1 4.42Å
512	K	91.5	Very high	90.8	Very high	112 Å²	112	54.9 Å²	54.9	49%	0.487	27%	0.273	S	S	.	.	H	α-helix	trans	-59.1	-35.9	174.8	-68.9	176.9	-176.6	168.7	0	112.8	E508 Y509 V510 S516	E508-K512 PolarHBondContact O-N 3.04Å; E508-K512 VanDerWaalsContact O-N 3.17Å; E508-K512 WeakPolarHBondContact OE1-CE 3.2Å; E508-K512 IonicContact OE1-NZ 2.76Å; E508-K512 PolarHBondContact OE1-NZ 3.28Å; Y509-K512 PolarHBondContact O-N 3.07Å; V510-K512 PolarHBondContact O-N 3.29Å; K512-S516 WeakPolarHBondContact O-CB 3.25Å; K512-S516 PolarHBondContact O-N 3.07Å; K512-S516 PolarHBondContact O-OG 3Å
513	F	91.8	Very high	90.3	Very high	8 Å²	8	58.5 Å²	58.5	4%	0.035	29%	0.292	C	S	.	.	H	α-helix	trans	-67.7	-44.6	177.6	178.3	-92.7	0	0	0	111.9	Y413 K416 L418 L442 Y509 V510 I511 S516 N517 F521	Y413-F513 HydrophobicContact CD1-CE2 4.35Å; Y413-F513 HydrophobicContact CD1-CZ 4.37Å; Y413-F513 AromaticContact CE1-CE2 3.98Å; Y413-F513 HydrophobicContact CE1-CE2 3.98Å; Y413-F513 AromaticContact CE1-CZ 3.89Å; Y413-F513 HydrophobicContact CE1-CZ 3.89Å; K416-F513 HydrophobicContact CD-CE2 4.04Å; L418-F513 HydrophobicContact CD1-CD1 4.24Å; L418-F513 HydrophobicContact CD1-CE1 4.36Å; L418-F513 HydrophobicContact CD2-CB 4.01Å; L418-F513 HydrophobicContact CD2-CD1 3.65Å; L418-F513 HydrophobicContact CD2-CE1 4.32Å; L418-F513 HydrophobicContact CD2-CG 3.83Å; L442-F513 HydrophobicContact CD1-CD1 4.35Å; L442-F513 HydrophobicContact CD1-CD2 4.33Å; L442-F513 HydrophobicContact CD1-CE1 3.79Å; L442-F513 HydrophobicContact CD1-CE2 3.76Å; L442-F513 HydrophobicContact CD1-CZ 3.46Å; L442-F513 VanDerWaalsContact CD1-CZ 3.46Å; L442-F513 HydrophobicContact CD2-CE1 4.33Å; L442-F513 HydrophobicContact CD2-CZ 4.35Å; Y509-F513 WeakPolarHBondContact O-CB 3.33Å; Y509-F513 PolarHBondContact O-N 3.02Å; V510-F513 WeakPolarHBondContact O-CB 2.91Å; V510-F513 PolarHBondContact O-N 3.07Å; V510-F513 VanDerWaalsContact O-N 3.11Å; I511-F513 PolarHBondContact O-N 3.02Å; F513-S516 PolarHBondContact O-N 3.49Å; F513-S516 PolarHBondContact O-OG 3.26Å; F513-N517 VanDerWaalsContact CE2-ND2 3.34Å; F513-N517 WeakPolarHBondContact CE2-ND2 3.08Å; F513-N517 PolarHBondContact O-N 3.4Å; F513-N517 VanDerWaalsContact O-N 3.13Å; F513-N517 PolarHBondContact O-ND2 2.81Å; F513-F521 AromaticContact CE1-CE2 4Å; F513-F521 HydrophobicContact CE1-CE2 4Å; F513-F521 HydrophobicContact CE1-CZ 4.05Å
514	F	91.4	Very high	89.9	Confident	2 Å²	2	65.8 Å²	65.8	1%	0.009	33%	0.326	C	S	.	.	H	α-helix	trans	-65.8	-38.5	175.1	-79.9	-75.9	0	0	0	112	L418 P485 V510 I511 N517 H518 F521 L525 L526 L529	L418-F514 HydrophobicContact CD1-CE2 4.21Å; L418-F514 HydrophobicContact CD1-CZ 4.28Å; P485-F514 HydrophobicContact CB-CE1 4.31Å; P485-F514 HydrophobicContact CB-CZ 3.97Å; V510-F514 HydrophobicContact CG1-CD2 3.51Å; V510-F514 HydrophobicContact CG1-CE2 3.35Å; V510-F514 WeakPolarHBondContact O-CD2 3.16Å; V510-F514 PolarHBondContact O-N 3.41Å; I511-F514 PolarHBondContact O-N 3.38Å; F514-N517 CarbonylContact O-C 3.5Å; F514-N517 PolarHBondContact O-N 2.91Å; F514-H518 WeakPolarHBondContact O-CA 3.31Å; F514-H518 PolarHBondContact O-N 3.41Å; F514-F521 HydrophobicContact CD1-CB 3.95Å; F514-F521 AromaticContact CD1-CD1 3.97Å; F514-F521 HydrophobicContact CD1-CD1 3.97Å; F514-F521 AromaticContact CD1-CD2 3.33Å; F514-F521 HydrophobicContact CD1-CD2 3.33Å; F514-F521 HydrophobicContact CD1-CE1 4.33Å; F514-F521 AromaticContact CD1-CE2 3.73Å; F514-F521 HydrophobicContact CD1-CE2 3.73Å; F514-F521 AromaticContact CD1-CG 3.46Å; F514-F521 HydrophobicContact CD1-CG 3.46Å; F514-F521 VanDerWaalsContact CD1-CG 3.46Å; F514-F521 HydrophobicContact CD1-CZ 4.21Å; F514-F521 HydrophobicContact CE1-CB 4.23Å; F514-F521 AromaticContact CE1-CD1 3.54Å; F514-F521 HydrophobicContact CE1-CD1 3.54Å; F514-F521 AromaticContact CE1-CD2 3.75Å; F514-F521 HydrophobicContact CE1-CD2 3.75Å; F514-F521 AromaticContact CE1-CE1 3.72Å; F514-F521 HydrophobicContact CE1-CE1 3.72Å; F514-F521 AromaticContact CE1-CE2 3.91Å; F514-F521 HydrophobicContact CE1-CE2 3.91Å; F514-F521 AromaticContact CE1-CG 3.55Å; F514-F521 HydrophobicContact CE1-CG 3.55Å; F514-F521 AromaticContact CE1-CZ 3.9Å; F514-F521 HydrophobicContact CE1-CZ 3.9Å; F514-F521 HydrophobicContact CG-CD2 4.41Å; F514-L525 HydrophobicContact CD1-CD2 3.98Å; F514-L525 HydrophobicContact CE1-CD2 3.45Å; F514-L525 VanDerWaalsContact CE1-CD2 3.45Å; F514-L525 HydrophobicContact CZ-CD2 3.89Å; F514-L526 HydrophobicContact CB-CD1 3.79Å; F514-L529 HydrophobicContact CB-CD1 4.43Å; F514-L529 HydrophobicContact CD2-CD1 3.66Å; F514-L529 HydrophobicContact CE2-CD1 4.11Å; F514-L529 HydrophobicContact CG-CD1 4.12Å
515	E	89.6	Confident	89.5	Confident	83 Å²	83	65.1 Å²	65.1	39%	0.388	32%	0.322	S	S	.	.	H	α-helix	trans	-64.7	-42.4	176.1	-72.3	-172.1	141.4	0	0	112.9	I511 N517 L526 R530	I511-E515 WeakPolarHBondContact O-CG 3.34Å; I511-E515 PolarHBondContact O-N 3.05Å; E515-N517 VanDerWaalsContact C-N 3.28Å; E515-N517 PolarHBondContact O-N 2.85Å; E515-L526 HydrophobicContact CG-CD1 3.75Å; E515-R530 IonicContact OE1-CZ 3.89Å; E515-R530 IonicContact OE1-NE 3.95Å; E515-R530 PolarHBondContact OE1-NE 3.49Å; E515-R530 IonicContact OE1-NH2 3.84Å; E515-R530 PolarHBondContact OE1-NH2 3.28Å
516	S	91.2	Very high	89.2	Confident	88 Å²	88	64.1 Å²	64.1	62%	0.615	32%	0.316	S	S	*	.	H	α-helix	trans	-70.5	-23.7	177.5	53.6	0	0	0	0	113.6	K512 F513	K512-S516 WeakPolarHBondContact O-CB 3.25Å; K512-S516 PolarHBondContact O-N 3.07Å; K512-S516 PolarHBondContact O-OG 3Å; F513-S516 PolarHBondContact O-N 3.49Å; F513-S516 PolarHBondContact O-OG 3.26Å
517	N	88.8	Confident	88.9	Confident	37 Å²	37	67.5 Å²	67.5	20%	0.198	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116	34.5	179	-59.3	-76	0	0	0	112.1	F513 F514 E515 E519 Q520 F521	F513-N517 VanDerWaalsContact CE2-ND2 3.34Å; F513-N517 WeakPolarHBondContact CE2-ND2 3.08Å; F513-N517 PolarHBondContact O-N 3.4Å; F513-N517 VanDerWaalsContact O-N 3.13Å; F513-N517 PolarHBondContact O-ND2 2.81Å; F514-N517 CarbonylContact O-C 3.5Å; F514-N517 PolarHBondContact O-N 2.91Å; E515-N517 VanDerWaalsContact C-N 3.28Å; E515-N517 PolarHBondContact O-N 2.85Å; N517-E519 PolarHBondContact O-N 3.26Å; N517-Q520 PolarHBondContact O-N 3.42Å; N517-F521 HydrophobicContact CB-CD2 4.31Å; N517-F521 HydrophobicContact CB-CE2 3.88Å; N517-F521 VanDerWaalsContact O-CD2 3.27Å; N517-F521 WeakPolarHBondContact O-CD2 3.34Å
518	H	87.2	Confident	88.7	Confident	82 Å²	82	68.4 Å²	68.4	38%	0.38	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-49.7	-36.9	-176.7	176.4	-61.5	0	0	0	113.2	F514 Q520 F521 D523 L526	F514-H518 WeakPolarHBondContact O-CA 3.31Å; F514-H518 PolarHBondContact O-N 3.41Å; H518-Q520 PolarHBondContact O-N 2.86Å; H518-Q520 VanDerWaalsContact O-N 3.15Å; H518-F521 PolarHBondContact O-N 3.02Å; H518-F521 VanDerWaalsContact O-O 3.07Å; H518-D523 IonicContact CE1-OD1 3.83Å; H518-D523 PolarHBondContact CE1-OD1 3.44Å; H518-D523 IonicContact ND1-OD1 3.86Å; H518-D523 IonicContact NE2-OD1 3.54Å; H518-D523 PolarHBondContact NE2-OD1 2.88Å; H518-L526 VanDerWaalsContact CD2-CD2 3.47Å; H518-L526 WeakPolarHBondContact CD2-CD2 3.48Å
519	E	88.6	Confident	88.5	Confident	197 Å²	197	63.1 Å²	63.1	92%	0.921	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-62.8	-21.2	-178.5	-61.6	-176.2	170.2	0	0	114.1	N517	N517-E519 PolarHBondContact O-N 3.26Å
520	Q	84.9	Confident	88.1	Confident	110 Å²	110	63.6 Å²	63.6	51%	0.514	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-92.9	-10.2	-176.2	-62.5	179.2	16	0	0	113.6	N517 H518	N517-Q520 PolarHBondContact O-N 3.42Å; H518-Q520 PolarHBondContact O-N 2.86Å; H518-Q520 VanDerWaalsContact O-N 3.15Å
521	F	86.8	Confident	87.8	Confident	27 Å²	27	69.4 Å²	69.4	12%	0.118	34%	0.343	C	S	.	.	S	Bend	trans	-130.6	150	-169.2	-57.2	-67.4	0	0	0	111.6	P485 I486 F513 F514 N517 H518	P485-F521 HydrophobicContact CB-CE1 3.85Å; P485-F521 HydrophobicContact CB-CZ 4.33Å; P485-F521 HydrophobicContact CG-CE1 4.32Å; I486-F521 HydrophobicContact CG1-CD1 3.79Å; I486-F521 HydrophobicContact CG1-CE1 4.27Å; F513-F521 AromaticContact CE1-CE2 4Å; F513-F521 HydrophobicContact CE1-CE2 4Å; F513-F521 HydrophobicContact CE1-CZ 4.05Å; F514-F521 HydrophobicContact CD1-CB 3.95Å; F514-F521 AromaticContact CD1-CD1 3.97Å; F514-F521 HydrophobicContact CD1-CD1 3.97Å; F514-F521 AromaticContact CD1-CD2 3.33Å; F514-F521 HydrophobicContact CD1-CD2 3.33Å; F514-F521 HydrophobicContact CD1-CE1 4.33Å; F514-F521 AromaticContact CD1-CE2 3.73Å; F514-F521 HydrophobicContact CD1-CE2 3.73Å; F514-F521 AromaticContact CD1-CG 3.46Å; F514-F521 HydrophobicContact CD1-CG 3.46Å; F514-F521 VanDerWaalsContact CD1-CG 3.46Å; F514-F521 HydrophobicContact CD1-CZ 4.21Å; F514-F521 HydrophobicContact CE1-CB 4.23Å; F514-F521 AromaticContact CE1-CD1 3.54Å; F514-F521 HydrophobicContact CE1-CD1 3.54Å; F514-F521 AromaticContact CE1-CD2 3.75Å; F514-F521 HydrophobicContact CE1-CD2 3.75Å; F514-F521 AromaticContact CE1-CE1 3.72Å; F514-F521 HydrophobicContact CE1-CE1 3.72Å; F514-F521 AromaticContact CE1-CE2 3.91Å; F514-F521 HydrophobicContact CE1-CE2 3.91Å; F514-F521 AromaticContact CE1-CG 3.55Å; F514-F521 HydrophobicContact CE1-CG 3.55Å; F514-F521 AromaticContact CE1-CZ 3.9Å; F514-F521 HydrophobicContact CE1-CZ 3.9Å; F514-F521 HydrophobicContact CG-CD2 4.41Å; N517-F521 HydrophobicContact CB-CD2 4.31Å; N517-F521 HydrophobicContact CB-CE2 3.88Å; N517-F521 VanDerWaalsContact O-CD2 3.27Å; N517-F521 WeakPolarHBondContact O-CD2 3.34Å; H518-F521 PolarHBondContact O-N 3.02Å; H518-F521 VanDerWaalsContact O-O 3.07Å
522	P	88.1	Confident	87.6	Confident	61 Å²	61	71 Å²	71	40%	0.396	35%	0.35	S	S	.	.			trans	-65.8	138.7	177.5	-19.4	31.7	0	0	0	112.7	I486 E524 L525 L526	I486-P522 HydrophobicContact CG2-CG 4.15Å; P522-E524 PolarHBondContact O-N 3.46Å; P522-L525 WeakPolarHBondContact O-CB 3.46Å; P522-L525 PolarHBondContact O-N 2.84Å; P522-L526 PolarHBondContact O-N 3.3Å
523	D	85.2	Confident	87.3	Confident	89 Å²	89	67.8 Å²	67.8	48%	0.476	34%	0.338	S	S	.	.	H	α-helix	trans	-57.9	-32.8	178.7	-59.9	-8.3	0	0	0	112.7	H518 L525 L526 N527	H518-D523 IonicContact CE1-OD1 3.83Å; H518-D523 PolarHBondContact CE1-OD1 3.44Å; H518-D523 IonicContact ND1-OD1 3.86Å; H518-D523 IonicContact NE2-OD1 3.54Å; H518-D523 PolarHBondContact NE2-OD1 2.88Å; D523-L525 VanDerWaalsContact C-N 3.29Å; D523-L525 PolarHBondContact O-N 3.21Å; D523-L526 PolarHBondContact O-N 3.3Å; D523-N527 VanDerWaalsContact O-CG 3.29Å; D523-N527 PolarHBondContact O-N 2.91Å; D523-N527 PolarHBondContact O-ND2 3.07Å
524	E	85.9	Confident	86.9	Confident	153 Å²	153	71.4 Å²	71.4	72%	0.715	36%	0.358	S	S	*	.	H	α-helix	trans	-58.1	-40.5	175.9	-65.1	-179.2	-178.8	0	0	112.1	P522 N528	P522-E524 PolarHBondContact O-N 3.46Å; E524-N528 PolarHBondContact O-N 3.16Å; E524-N528 VanDerWaalsContact O-N 3.1Å; E524-N528 PolarHBondContact O-ND2 3.03Å
525	L	86.2	Confident	86.6	Confident	11 Å²	11	75.6 Å²	75.6	6%	0.058	38%	0.38	C	S	.	.	H	α-helix	trans	-65.2	-44.8	178	-178	71.2	0	0	0	110	S489 F514 P522 D523 N528 L529	S489-L525 VanDerWaalsContact CB-CD1 3.46Å; F514-L525 HydrophobicContact CD1-CD2 3.98Å; F514-L525 HydrophobicContact CE1-CD2 3.45Å; F514-L525 VanDerWaalsContact CE1-CD2 3.45Å; F514-L525 HydrophobicContact CZ-CD2 3.89Å; P522-L525 WeakPolarHBondContact O-CB 3.46Å; P522-L525 PolarHBondContact O-N 2.84Å; D523-L525 VanDerWaalsContact C-N 3.29Å; D523-L525 PolarHBondContact O-N 3.21Å; L525-N528 PolarHBondContact O-N 3.15Å; L525-L529 HydrophobicContact CG-CD1 4.5Å; L525-L529 WeakPolarHBondContact O-CG 3.25Å; L525-L529 PolarHBondContact O-N 2.98Å; L525-L529 VanDerWaalsContact O-N 3.11Å
526	L	85.9	Confident	86.2	Confident	8 Å²	8	75.8 Å²	75.8	4%	0.042	38%	0.379	C	S	.	.	H	α-helix	trans	-65.4	-41.3	-178.7	-169.8	68.8	0	0	0	112	F514 E515 H518 P522 D523 L529 R530	F514-L526 HydrophobicContact CB-CD1 3.79Å; E515-L526 HydrophobicContact CG-CD1 3.75Å; H518-L526 VanDerWaalsContact CD2-CD2 3.47Å; H518-L526 WeakPolarHBondContact CD2-CD2 3.48Å; P522-L526 PolarHBondContact O-N 3.3Å; D523-L526 PolarHBondContact O-N 3.3Å; L526-L529 PolarHBondContact O-N 3.34Å; L526-R530 WeakPolarHBondContact O-CG 3.35Å; L526-R530 PolarHBondContact O-N 2.91Å
527	N	86.7	Confident	85.7	Confident	79 Å²	79	76.8 Å²	76.8	42%	0.422	38%	0.375	S	S	.	.	H	α-helix	trans	-64	-45.1	177.3	-69.7	-23.1	0	0	0	111.5	D523 L529 R530 E531	D523-N527 VanDerWaalsContact O-CG 3.29Å; D523-N527 PolarHBondContact O-N 2.91Å; D523-N527 PolarHBondContact O-ND2 3.07Å; N527-L529 VanDerWaalsContact C-N 3.27Å; N527-L529 PolarHBondContact O-N 3.19Å; N527-R530 PolarHBondContact O-N 2.83Å; N527-E531 WeakPolarHBondContact O-CG 3.45Å; N527-E531 PolarHBondContact O-N 3.36Å
528	N	87.7	Confident	85.3	Confident	78 Å²	78	79.6 Å²	79.6	42%	0.417	39%	0.39	S	S	.	.	H	α-helix	trans	-57.2	-40.1	174.7	-80.7	-60.1	0	0	0	112.2	E524 L525 H532	E524-N528 PolarHBondContact O-N 3.16Å; E524-N528 VanDerWaalsContact O-N 3.1Å; E524-N528 PolarHBondContact O-ND2 3.03Å; L525-N528 PolarHBondContact O-N 3.15Å; N528-H532 PolarHBondContact O-N 3.25Å
529	L	85.6	Confident	84.9	Confident	0 Å²	0	81.1 Å²	81.1	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-69	-41.3	177.3	-69	177.6	0	0	0	112.6	I490 V506 I511 F514 L525 L526 N527 H532 L533	I490-L529 HydrophobicContact CD1-CD2 3.79Å; I490-L529 HydrophobicContact CG1-CD2 3.87Å; V506-L529 HydrophobicContact CB-CD2 4.2Å; V506-L529 HydrophobicContact CG1-CD2 4.16Å; V506-L529 HydrophobicContact CG2-CD2 3.64Å; I511-L529 HydrophobicContact CG1-CB 4.35Å; F514-L529 HydrophobicContact CB-CD1 4.43Å; F514-L529 HydrophobicContact CD2-CD1 3.66Å; F514-L529 HydrophobicContact CE2-CD1 4.11Å; F514-L529 HydrophobicContact CG-CD1 4.12Å; L525-L529 HydrophobicContact CG-CD1 4.5Å; L525-L529 WeakPolarHBondContact O-CG 3.25Å; L525-L529 PolarHBondContact O-N 2.98Å; L525-L529 VanDerWaalsContact O-N 3.11Å; L526-L529 PolarHBondContact O-N 3.34Å; N527-L529 VanDerWaalsContact C-N 3.27Å; N527-L529 PolarHBondContact O-N 3.19Å; L529-H532 PolarHBondContact O-N 2.69Å; L529-L533 PolarHBondContact O-N 3.39Å
530	R	85.2	Confident	84.3	Confident	97 Å²	97	74.8 Å²	74.8	37%	0.366	37%	0.372	S	S	.	.	H	α-helix	trans	-65.4	-43.2	178.3	-77.6	175.9	170.6	166.2	-1.2	112.6	E515 L526 N527 H532 L533 N534	E515-R530 IonicContact OE1-CZ 3.89Å; E515-R530 IonicContact OE1-NE 3.95Å; E515-R530 PolarHBondContact OE1-NE 3.49Å; E515-R530 IonicContact OE1-NH2 3.84Å; E515-R530 PolarHBondContact OE1-NH2 3.28Å; L526-R530 WeakPolarHBondContact O-CG 3.35Å; L526-R530 PolarHBondContact O-N 2.91Å; N527-R530 PolarHBondContact O-N 2.83Å; R530-H532 VanDerWaalsContact C-N 3.29Å; R530-H532 PolarHBondContact O-N 3.03Å; R530-L533 PolarHBondContact O-N 3.34Å; R530-N534 PolarHBondContact O-N 3.47Å; R530-N534 VanDerWaalsContact O-N 3.08Å; R530-N534 PolarHBondContact O-ND2 2.89Å
531	E	85.9	Confident	83.9	Confident	122 Å²	122	73.6 Å²	73.6	57%	0.57	37%	0.368	S	S	*	.	H	α-helix	trans	-57.7	-44.1	177.1	-75	178.7	-179.1	0	0	111.2	N527 L533 N534 D535	N527-E531 WeakPolarHBondContact O-CG 3.45Å; N527-E531 PolarHBondContact O-N 3.36Å; E531-L533 PolarHBondContact O-N 3.13Å; E531-N534 PolarHBondContact O-N 3.35Å; E531-D535 PolarHBondContact O-N 2.65Å
532	H	85.2	Confident	83.4	Confident	46 Å²	46	76.9 Å²	76.9	21%	0.213	39%	0.39	C	S	.	.	H	α-helix	trans	-67.6	-34.5	178.4	-168.9	74.2	0	0	0	114	I490 T504 D505 N528 L529 R530 D535 K536	I490-H532 HydrophobicContact CD1-CB 3.11Å; T504-H532 PolarHBondContact O-CE1 3.28Å; T504-H532 PolarHBondContact O-NE2 2.97Å; D505-H532 IonicContact OD1-CD2 3.5Å; D505-H532 IonicContact OD1-NE2 2.66Å; D505-H532 PolarHBondContact OD1-NE2 2.85Å; N528-H532 PolarHBondContact O-N 3.25Å; L529-H532 PolarHBondContact O-N 2.69Å; R530-H532 VanDerWaalsContact C-N 3.29Å; R530-H532 PolarHBondContact O-N 3.03Å; H532-D535 PolarHBondContact O-N 2.76Å; H532-K536 WeakPolarHBondContact O-CB 3.39Å; H532-K536 PolarHBondContact O-N 3.45Å
533	L	84.9	Confident	82.5	Confident	45 Å²	45	79.9 Å²	79.9	24%	0.236	40%	0.397	C	S	.	.	H	α-helix	trans	-63.8	-44.9	174.7	-174.1	143.2	0	0	0	110.7	I511 L529 R530 E531 D535 K536 E537	I511-L533 HydrophobicContact CD1-CB 4.05Å; I511-L533 HydrophobicContact CD1-CD1 3.51Å; I511-L533 HydrophobicContact CD1-CG 4.38Å; I511-L533 HydrophobicContact CG2-CD1 4.42Å; L529-L533 PolarHBondContact O-N 3.39Å; R530-L533 PolarHBondContact O-N 3.34Å; E531-L533 PolarHBondContact O-N 3.13Å; L533-D535 VanDerWaalsContact C-N 3.34Å; L533-D535 PolarHBondContact O-N 3.44Å; L533-K536 PolarHBondContact O-N 3.45Å; L533-E537 HydrophobicContact CD2-CG 4.22Å; L533-E537 WeakPolarHBondContact CD2-OE1 3.35Å; L533-E537 WeakPolarHBondContact O-CG 3.49Å; L533-E537 PolarHBondContact O-N 2.98Å
534	N	84.6	Confident	81.5	Confident	85 Å²	85	81 Å²	81	46%	0.455	40%	0.399	S	S	.	.	H	α-helix	trans	-60.3	-43.8	175.5	-66.1	-21.2	0	0	0	111.5	R530 E531 K536 E537 N538	R530-N534 PolarHBondContact O-N 3.47Å; R530-N534 VanDerWaalsContact O-N 3.08Å; R530-N534 PolarHBondContact O-ND2 2.89Å; E531-N534 PolarHBondContact O-N 3.35Å; N534-K536 VanDerWaalsContact C-N 3.32Å; N534-K536 PolarHBondContact O-N 3.35Å; N534-E537 PolarHBondContact O-N 2.76Å; N534-N538 WeakPolarHBondContact O-CB 3.47Å; N534-N538 PolarHBondContact O-N 3.46Å; N534-N538 PolarHBondContact O-ND2 3.07Å; N534-N538 VanDerWaalsContact O-ND2 3.1Å
535	D	83.5	Confident	80.4	Confident	90 Å²	90	79.8 Å²	79.8	48%	0.481	39%	0.393	S	S	.	.	H	α-helix	trans	-61.3	-40.3	176.4	-77.1	-15.8	0	0	0	112.3	E531 H532 L533 N538 Q539	E531-D535 PolarHBondContact O-N 2.65Å; H532-D535 PolarHBondContact O-N 2.76Å; L533-D535 VanDerWaalsContact C-N 3.34Å; L533-D535 PolarHBondContact O-N 3.44Å; D535-N538 PolarHBondContact O-N 3.42Å; D535-Q539 VanDerWaalsContact O-CG 3.3Å; D535-Q539 WeakPolarHBondContact O-CG 3.48Å; D535-Q539 PolarHBondContact O-N 2.96Å
536	K	81.4	Confident	79	Confident	86 Å²	86	81.8 Å²	81.8	37%	0.374	41%	0.408	S	S	.	.	H	α-helix	trans	-69.3	-41	178.9	-173	174.1	178.7	172.4	0	112.3	D505 H532 L533 N534 Q539 T540	D505-K536 VanDerWaalsContact CG-NZ 3.26Å; D505-K536 IonicContact OD1-NZ 3.98Å; D505-K536 PolarHBondContact OD1-NZ 2.88Å; D505-K536 WeakPolarHBondContact OD2-CE 3.36Å; D505-K536 IonicContact OD2-NZ 3.91Å; D505-K536 PolarHBondContact OD2-NZ 2.95Å; H532-K536 WeakPolarHBondContact O-CB 3.39Å; H532-K536 PolarHBondContact O-N 3.45Å; L533-K536 PolarHBondContact O-N 3.45Å; N534-K536 VanDerWaalsContact C-N 3.32Å; N534-K536 PolarHBondContact O-N 3.35Å; K536-Q539 PolarHBondContact O-N 2.84Å; K536-T540 WeakPolarHBondContact O-CB 3.47Å; K536-T540 PolarHBondContact O-N 3.18Å; K536-T540 PolarHBondContact O-OG1 3.03Å
537	E	82.1	Confident	77.4	Confident	110 Å²	110	87 Å²	87	51%	0.514	43%	0.432	S	S	.	.	H	α-helix	trans	-61.3	-46.6	173.4	-73.1	-174.9	164.9	0	0	110.9	L533 N534 Q539 T540 I541	L533-E537 HydrophobicContact CD2-CG 4.22Å; L533-E537 WeakPolarHBondContact CD2-OE1 3.35Å; L533-E537 WeakPolarHBondContact O-CG 3.49Å; L533-E537 PolarHBondContact O-N 2.98Å; N534-E537 PolarHBondContact O-N 2.76Å; E537-Q539 PolarHBondContact O-N 3.16Å; E537-T540 PolarHBondContact O-N 3.47Å; E537-T540 VanDerWaalsContact O-N 3.14Å; E537-I541 WeakPolarHBondContact O-CG1 3.3Å; E537-I541 PolarHBondContact O-N 2.91Å
538	N	79.9	Confident	75.8	Confident	96 Å²	96	92.5 Å²	92.5	51%	0.513	45%	0.448	S	S	.	.	H	α-helix	trans	-58.1	-46.3	175.5	-72.8	-31.3	0	0	0	112.1	N534 D535 T540 I541 V542	N534-N538 WeakPolarHBondContact O-CB 3.47Å; N534-N538 PolarHBondContact O-N 3.46Å; N534-N538 PolarHBondContact O-ND2 3.07Å; N534-N538 VanDerWaalsContact O-ND2 3.1Å; D535-N538 PolarHBondContact O-N 3.42Å; N538-T540 VanDerWaalsContact C-N 3.31Å; N538-T540 PolarHBondContact O-N 3.05Å; N538-I541 PolarHBondContact O-N 2.75Å; N538-V542 WeakPolarHBondContact O-CG2 3.22Å; N538-V542 PolarHBondContact O-N 2.67Å; N538-V542 VanDerWaalsContact O-N 3.12Å
539	Q	78.8	Confident	74	Confident	114 Å²	114	97.8 Å²	97.8	53%	0.533	47%	0.468	S	S	.	.	H	α-helix	trans	-63.5	-35.7	176.5	-73.9	177.7	30.1	0	0	112.9	D535 K536 E537 V542 K543	D535-Q539 VanDerWaalsContact O-CG 3.3Å; D535-Q539 WeakPolarHBondContact O-CG 3.48Å; D535-Q539 PolarHBondContact O-N 2.96Å; K536-Q539 PolarHBondContact O-N 2.84Å; E537-Q539 PolarHBondContact O-N 3.16Å; Q539-V542 PolarHBondContact O-N 3.27Å; Q539-K543 WeakPolarHBondContact O-CB 3.31Å; Q539-K543 WeakPolarHBondContact O-CG 2.96Å; Q539-K543 PolarHBondContact O-N 2.77Å
540	T	76.9	Confident	72.4	Confident	64 Å²	64	104.1 Å²	104.1	39%	0.393	50%	0.501	S	S	.	.	H	α-helix	trans	-70.5	-40.8	-179.7	-54.4	0	0	0	0	111.2	K536 E537 N538 K543 Q544	K536-T540 WeakPolarHBondContact O-CB 3.47Å; K536-T540 PolarHBondContact O-N 3.18Å; K536-T540 PolarHBondContact O-OG1 3.03Å; E537-T540 PolarHBondContact O-N 3.47Å; E537-T540 VanDerWaalsContact O-N 3.14Å; N538-T540 VanDerWaalsContact C-N 3.31Å; N538-T540 PolarHBondContact O-N 3.05Å; T540-K543 PolarHBondContact O-N 2.84Å; T540-Q544 WeakPolarHBondContact O-CG 3.49Å; T540-Q544 PolarHBondContact O-N 3.48Å
541	I	76.3	Confident	70.4	Confident	85 Å²	85	105.3 Å²	105.3	44%	0.436	51%	0.514	S	S	.	.	H	α-helix	trans	-60.2	-46.7	173.8	-66.8	164.6	0	0	0	110.5	E537 N538 K543 Q544 Q545	E537-I541 WeakPolarHBondContact O-CG1 3.3Å; E537-I541 PolarHBondContact O-N 2.91Å; N538-I541 PolarHBondContact O-N 2.75Å; I541-K543 PolarHBondContact O-N 2.82Å; I541-Q544 PolarHBondContact O-N 3.16Å; I541-Q545 WeakPolarHBondContact O-CG 2.92Å; I541-Q545 PolarHBondContact O-N 2.85Å
542	V	75	Confident	68.3	Low	95 Å²	95	109.8 Å²	109.8	58%	0.576	53%	0.532	S	S	*	.	H	α-helix	trans	-62.3	-43.2	177.6	173.7	0	0	0	0	111.4	N538 Q539 Q545 S546	N538-V542 WeakPolarHBondContact O-CG2 3.22Å; N538-V542 PolarHBondContact O-N 2.67Å; N538-V542 VanDerWaalsContact O-N 3.12Å; Q539-V542 PolarHBondContact O-N 3.27Å; V542-Q545 PolarHBondContact O-N 2.91Å; V542-S546 PolarHBondContact O-N 3.18Å
543	K	69.9	Low	66.3	Low	125 Å²	125	111.7 Å²	111.7	54%	0.543	56%	0.564	S	S	.	*	H	α-helix	trans	-63.5	-43.5	176.6	-78.4	176.7	-175.9	171.1	0	112.3	Q539 T540 I541 S546 H547	Q539-K543 WeakPolarHBondContact O-CB 3.31Å; Q539-K543 WeakPolarHBondContact O-CG 2.96Å; Q539-K543 PolarHBondContact O-N 2.77Å; T540-K543 PolarHBondContact O-N 2.84Å; I541-K543 PolarHBondContact O-N 2.82Å; K543-S546 WeakPolarHBondContact CA-OG 3.46Å; K543-S546 PolarHBondContact O-N 3.47Å; K543-S546 PolarHBondContact O-OG 3.16Å; K543-H547 PolarHBondContact O-N 2.82Å
544	Q	64.2	Low	64.3	Low	111 Å²	111	112.1 Å²	112.1	52%	0.519	58%	0.579	S	S	.	*	H	α-helix	trans	-60.2	-47.9	176	-74.2	177.2	3	0	0	110.8	T540 I541 S546 H547 Y548	T540-Q544 WeakPolarHBondContact O-CG 3.49Å; T540-Q544 PolarHBondContact O-N 3.48Å; I541-Q544 PolarHBondContact O-N 3.16Å; Q544-S546 VanDerWaalsContact C-N 3.25Å; Q544-S546 PolarHBondContact O-N 3.05Å; Q544-H547 PolarHBondContact O-N 3.21Å; Q544-H547 VanDerWaalsContact O-N 3.14Å; Q544-Y548 WeakPolarHBondContact O-CD2 3.49Å; Q544-Y548 PolarHBondContact O-N 3.19Å; Q544-Y548 VanDerWaalsContact O-N 3.08Å
545	Q	61.9	Low	62.6	Low	128 Å²	128	116 Å²	116	60%	0.598	60%	0.6	S	S	*	*	H	α-helix	trans	-58.8	-35	175.8	-70.6	177.8	3.3	0	0	112.9	I541 V542	I541-Q545 WeakPolarHBondContact O-CG 2.92Å; I541-Q545 PolarHBondContact O-N 2.85Å; V542-Q545 PolarHBondContact O-N 2.91Å
546	S	57.4	Low	61.1	Low	53 Å²	53	116 Å²	116	37%	0.371	60%	0.599	S	S	.	*	H	α-helix	trans	-73.7	-36.9	175.2	75.3	0	0	0	0	113.6	V542 K543 Q544 K549	V542-S546 PolarHBondContact O-N 3.18Å; K543-S546 WeakPolarHBondContact CA-OG 3.46Å; K543-S546 PolarHBondContact O-N 3.47Å; K543-S546 PolarHBondContact O-OG 3.16Å; Q544-S546 VanDerWaalsContact C-N 3.25Å; Q544-S546 PolarHBondContact O-N 3.05Å; S546-K549 PolarHBondContact O-N 2.94Å; S546-K549 VanDerWaalsContact O-N 3.15Å
547	H	53.2	Low	59.8	Low	118 Å²	118	118.5 Å²	118.5	55%	0.546	62%	0.616	S	S	.	*	H	α-helix	trans	-71	-31.9	179.1	-97.3	-66.5	0	0	0	112.8	K543 Q544 K549 L550	K543-H547 PolarHBondContact O-N 2.82Å; Q544-H547 PolarHBondContact O-N 3.21Å; Q544-H547 VanDerWaalsContact O-N 3.14Å; H547-K549 PolarHBondContact O-N 3.42Å; H547-L550 PolarHBondContact O-N 3.28Å
548	Y	52.9	Low	58.5	Low	194 Å²	194	116.6 Å²	116.6	76%	0.761	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-22.6	171	-77.6	-71	0	0	0	112.9	Q544	Q544-Y548 WeakPolarHBondContact O-CD2 3.49Å; Q544-Y548 PolarHBondContact O-N 3.19Å; Q544-Y548 VanDerWaalsContact O-N 3.08Å
549	K	50.1	Low	57.6	Low	189 Å²	189	120.1 Å²	120.1	82%	0.822	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-8	176.2	-70.4	-174.9	175.4	-177.2	0	114.8	S546 H547	S546-K549 PolarHBondContact O-N 2.94Å; S546-K549 VanDerWaalsContact O-N 3.15Å; H547-K549 PolarHBondContact O-N 3.42Å
550	L	50.7	Low	56.7	Low	133 Å²	133	121.5 Å²	121.5	70%	0.696	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.9	-2	-169.3	-82	155.7	0	0	0	115.1	H547 K552	H547-L550 PolarHBondContact O-N 3.28Å; L550-K552 PolarHBondContact O-N 2.95Å
551	N	44.2	Very low	56.2	Low	122 Å²	122	125.3 Å²	125.3	65%	0.652	63%	0.631	S	S	*	*			trans	-78.3	95.3	179.6	-79.6	-18	0	0	0	112.3	G553	N551-G553 PolarHBondContact O-N 3.13Å
552	K	41.3	Very low	55.4	Low	217 Å²	217	129.8 Å²	129.8	94%	0.943	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53	111.8	165.5	-76.4	174.8	173.1	175.1	0	111.1	L550	L550-K552 PolarHBondContact O-N 2.95Å
553	G	43.9	Very low	55	Low	85 Å²	85	129 Å²	129	88%	0.876	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	127.6	-4.2	167.1	0	0	0	0	0	116.4	N551	N551-G553 PolarHBondContact O-N 3.13Å
554	G	43	Very low	55.3	Low	54 Å²	54	125.6 Å²	125.6	56%	0.557	66%	0.655	S	S	*	*	S	Bend	trans	-80.8	151.1	169.5	0	0	0	0	0	111.7	I556	G554-I556 PolarHBondContact O-N 3.24Å
555	N	47.6	Very low	55.7	Low	166 Å²	166	123.2 Å²	123.2	89%	0.888	65%	0.645	S	S	*	*			trans	-41.2	113.7	170.5	-102.7	-4.2	0	0	0	109.6	D557	N555-D557 PolarHBondContact O-N 3.41Å
556	I	52.2	Low	56.4	Low	91 Å²	91	121.3 Å²	121.3	47%	0.467	64%	0.639	S	S	.	*			trans	-74.8	111.8	174.5	-57.6	169.9	0	0	0	105.2	G554 F558	G554-I556 PolarHBondContact O-N 3.24Å; I556-F558 VanDerWaalsContact C-N 3.34Å; I556-F558 PolarHBondContact O-N 2.97Å
557	D	53.8	Low	57.2	Low	138 Å²	138	123.3 Å²	123.3	74%	0.738	65%	0.645	S	S	*	*			trans	-62.7	100.8	163.7	-98.1	-10.8	0	0	0	106.9	N555 K559	N555-D557 PolarHBondContact O-N 3.41Å; D557-K559 VanDerWaalsContact C-N 3.32Å; D557-K559 PolarHBondContact O-N 3.3Å
558	F	55.9	Low	58.4	Low	70 Å²	70	118.8 Å²	118.8	31%	0.307	63%	0.626	S	S	.	*			trans	-62.3	93	171.2	-78.1	-83.7	0	0	0	108.6	I556 I616 P617	I556-F558 VanDerWaalsContact C-N 3.34Å; I556-F558 PolarHBondContact O-N 2.97Å; F558-I616 HydrophobicContact CZ-CG2 4.11Å; F558-P617 HydrophobicContact CB-CG 4.3Å; F558-P617 HydrophobicContact CD2-CG 3.87Å; F558-P617 HydrophobicContact CE2-CG 4.39Å; F558-P617 HydrophobicContact CG-CG 4.1Å
559	K	61	Low	59.7	Low	171 Å²	171	109.6 Å²	109.6	74%	0.743	59%	0.59	S	S	*	*			trans	-93.7	103.3	166.9	-73.8	-173.4	-179.4	-179.7	0	108	D557 E561	D557-K559 VanDerWaalsContact C-N 3.32Å; D557-K559 PolarHBondContact O-N 3.3Å; K559-E561 PolarHBondContact O-N 3.36Å
560	R	59.6	Low	61.1	Low	142 Å²	142	103.6 Å²	103.6	54%	0.536	57%	0.567	S	S	.	*			trans	-70.3	118.9	174.4	-171.1	171.3	169	160.1	-2.5	109	D619 D621	R560-D619 IonicContact CZ-OD2 3.53Å; R560-D619 IonicContact NH1-OD2 3.18Å; R560-D619 PolarHBondContact NH1-OD2 2.58Å; R560-D621 IonicContact CZ-OD2 3.88Å; R560-D621 VanDerWaalsContact CZ-OD2 3.32Å; R560-D621 IonicContact NH1-OD1 2.95Å; R560-D621 PolarHBondContact NH1-OD1 3.03Å; R560-D621 IonicContact NH1-OD2 3.52Å; R560-D621 PolarHBondContact NH1-OD2 3.25Å; R560-D621 IonicContact NH2-OD2 2.76Å; R560-D621 PolarHBondContact NH2-OD2 3.36Å
561	E	66.1	Low	62.3	Low	145 Å²	145	101.6 Å²	101.6	68%	0.678	55%	0.554	S	S	*	*			trans	-94.8	149.1	167.8	-64.3	-169.3	172.1	0	0	109.7	K559 G563 D564	K559-E561 PolarHBondContact O-N 3.36Å; E561-G563 PolarHBondContact O-N 2.94Å; E561-D564 PolarHBondContact O-N 3.27Å
562	D	59.7	Low	64	Low	178 Å²	178	96 Å²	96	95%	0.952	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	114.3	-179.5	-79.1	-28.9	0	0	0	110.6
563	G	67.7	Low	65.8	Low	78 Å²	78	87.5 Å²	87.5	80%	0.804	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	109.7	-3.1	177.9	0	0	0	0	0	115.7	E561 I565	E561-G563 PolarHBondContact O-N 2.94Å; G563-I565 VanDerWaalsContact C-N 3.32Å; G563-I565 PolarHBondContact O-N 3.3Å
564	D	74.6	Confident	67.5	Low	55 Å²	55	87 Å²	87	29%	0.294	47%	0.466	S	S	.	.			trans	-90.3	28.2	-166.7	-151.3	21.1	0	0	0	115.8	E561 N566 D567 V568	E561-D564 PolarHBondContact O-N 3.27Å; D564-N566 VanDerWaalsContact C-N 3.27Å; D564-N566 PolarHBondContact O-N 2.98Å; D564-D567 PolarHBondContact O-N 2.91Å; D564-D567 WeakPolarHBondContact OD1-CB 3.42Å; D564-D567 VanDerWaalsContact OD1-CG 3.31Å; D564-V568 HydrophobicContact CB-CG2 4.47Å; D564-V568 VanDerWaalsContact O-CG2 3.29Å; D564-V568 WeakPolarHBondContact O-CG2 3.49Å; D564-V568 PolarHBondContact O-N 3.25Å; D564-V568 VanDerWaalsContact O-N 3.07Å
565	I	72.9	Confident	69.3	Low	60 Å²	60	86.4 Å²	86.4	31%	0.308	45%	0.449	S	S	.	.	H	α-helix	trans	-58.6	-39.2	-173.2	-61.3	173.3	0	0	0	111.5	G563 M569 E625	G563-I565 VanDerWaalsContact C-N 3.32Å; G563-I565 PolarHBondContact O-N 3.3Å; I565-M569 WeakPolarHBondContact O-CB 3.38Å; I565-M569 PolarHBondContact O-N 3.12Å; I565-E625 HydrophobicContact CG2-CB 4.45Å; I565-E625 HydrophobicContact CG2-CG 4.2Å
566	N	76.8	Confident	70.7	Confident	89 Å²	89	78.5 Å²	78.5	48%	0.476	41%	0.406	S	S	.	.	H	α-helix	trans	-71.7	-39.6	-178	-84.2	-51.3	0	0	0	113.3	D564 M569 N570	D564-N566 VanDerWaalsContact C-N 3.27Å; D564-N566 PolarHBondContact O-N 2.98Å; N566-M569 PolarHBondContact O-N 2.94Å; N566-N570 WeakPolarHBondContact O-CB 3.25Å; N566-N570 VanDerWaalsContact O-CG 3.28Å; N566-N570 PolarHBondContact O-N 2.89Å; N566-N570 PolarHBondContact O-ND2 2.77Å
567	D	75.4	Confident	72	Confident	95 Å²	95	75.7 Å²	75.7	51%	0.508	39%	0.391	S	S	.	.	H	α-helix	trans	-75	-40.3	-178.6	-63.5	-16.3	0	0	0	110.2	D564 M569 N570 E571	D564-D567 PolarHBondContact O-N 2.91Å; D564-D567 WeakPolarHBondContact OD1-CB 3.42Å; D564-D567 VanDerWaalsContact OD1-CG 3.31Å; D567-M569 VanDerWaalsContact C-N 3.35Å; D567-M569 PolarHBondContact O-N 3.08Å; D567-N570 PolarHBondContact O-N 2.98Å; D567-E571 PolarHBondContact O-N 2.94Å
568	V	78	Confident	73	Confident	22 Å²	22	74.1 Å²	74.1	13%	0.133	38%	0.377	C	S	.	.	H	α-helix	trans	-60.2	-44	170.7	-179.9	0	0	0	0	110.7	D564 N570 E571 V572 V622	D564-V568 HydrophobicContact CB-CG2 4.47Å; D564-V568 VanDerWaalsContact O-CG2 3.29Å; D564-V568 WeakPolarHBondContact O-CG2 3.49Å; D564-V568 PolarHBondContact O-N 3.25Å; D564-V568 VanDerWaalsContact O-N 3.07Å; V568-N570 PolarHBondContact O-N 3.01Å; V568-E571 PolarHBondContact O-N 3.01Å; V568-V572 HydrophobicContact CG1-CG2 4.39Å; V568-V572 VanDerWaalsContact O-CG2 3.28Å; V568-V572 WeakPolarHBondContact O-CG2 3.48Å; V568-V572 PolarHBondContact O-N 3.03Å; V568-V622 HydrophobicContact CB-CG2 4.49Å; V568-V622 HydrophobicContact CG1-CG1 4.31Å; V568-V622 HydrophobicContact CG1-CG2 3.89Å
569	M	78.7	Confident	73.9	Confident	1 Å²	1	71.2 Å²	71.2	1%	0.005	37%	0.365	C	S	.	.	H	α-helix	trans	-62.6	-39.2	175.9	-179.6	-93.1	-62.8	0	0	112.6	I565 N566 D567 V572 R573 V622 L626 K629 Y630	I565-M569 WeakPolarHBondContact O-CB 3.38Å; I565-M569 PolarHBondContact O-N 3.12Å; N566-M569 PolarHBondContact O-N 2.94Å; D567-M569 VanDerWaalsContact C-N 3.35Å; D567-M569 PolarHBondContact O-N 3.08Å; M569-V572 PolarHBondContact O-N 2.99Å; M569-R573 WeakPolarHBondContact O-CB 3.46Å; M569-R573 PolarHBondContact O-N 3.29Å; M569-V622 HydrophobicContact CB-CG1 3.97Å; M569-L626 HydrophobicContact CG-CB 4.42Å; M569-K629 HydrophobicContact CE-CD 3.84Å; M569-K629 HydrophobicContact SD-CD 4.34Å; M569-Y630 HydrophobicContact SD-CE2 4.42Å
570	N	79.4	Confident	74.5	Confident	64 Å²	64	64.4 Å²	64.4	34%	0.342	34%	0.339	S	S	.	.	H	α-helix	trans	-65.5	-40.5	174.2	-77.2	-32.5	0	0	0	111.8	N566 D567 V568 R573 V574	N566-N570 WeakPolarHBondContact O-CB 3.25Å; N566-N570 VanDerWaalsContact O-CG 3.28Å; N566-N570 PolarHBondContact O-N 2.89Å; N566-N570 PolarHBondContact O-ND2 2.77Å; D567-N570 PolarHBondContact O-N 2.98Å; V568-N570 PolarHBondContact O-N 3.01Å; N570-R573 WeakPolarHBondContact O-CB 3.43Å; N570-R573 PolarHBondContact O-N 2.7Å; N570-V574 VanDerWaalsContact O-CG2 3.28Å; N570-V574 WeakPolarHBondContact O-CG2 3.25Å; N570-V574 PolarHBondContact O-N 2.89Å
571	E	77.3	Confident	74.9	Confident	91 Å²	91	64.2 Å²	64.2	43%	0.425	35%	0.347	S	S	.	.	H	α-helix	trans	-64.6	-45.7	174.5	-74.8	-164.6	159	0	0	112.1	D567 V568 R573 V574 Q575	D567-E571 PolarHBondContact O-N 2.94Å; V568-E571 PolarHBondContact O-N 3.01Å; E571-R573 VanDerWaalsContact C-N 3.29Å; E571-R573 PolarHBondContact O-N 3.3Å; E571-V574 PolarHBondContact O-N 2.78Å; E571-V574 VanDerWaalsContact O-N 3.12Å; E571-Q575 VanDerWaalsContact O-CG 3.31Å; E571-Q575 WeakPolarHBondContact O-CG 3.48Å; E571-Q575 PolarHBondContact O-N 3.27Å
572	V	78.5	Confident	74.9	Confident	5 Å²	5	62.3 Å²	62.3	3%	0.03	35%	0.346	C	S	.	.	H	α-helix	trans	-57.9	-43.7	174.3	173.3	0	0	0	0	110.3	V568 M569 V574 Q575 L576 I616 V622 L626	V568-V572 HydrophobicContact CG1-CG2 4.39Å; V568-V572 VanDerWaalsContact O-CG2 3.28Å; V568-V572 WeakPolarHBondContact O-CG2 3.48Å; V568-V572 PolarHBondContact O-N 3.03Å; M569-V572 PolarHBondContact O-N 2.99Å; V572-V574 PolarHBondContact O-N 3.35Å; V572-Q575 PolarHBondContact O-N 2.93Å; V572-L576 HydrophobicContact CG1-CD1 3.84Å; V572-L576 HydrophobicContact CG1-CG 4.36Å; V572-L576 WeakPolarHBondContact O-CB 3.24Å; V572-L576 VanDerWaalsContact O-CG 3.31Å; V572-L576 WeakPolarHBondContact O-CG 3.4Å; V572-L576 PolarHBondContact O-N 3.03Å; V572-I616 HydrophobicContact CG2-CG2 3.9Å; V572-V622 HydrophobicContact CB-CG1 4.39Å; V572-V622 HydrophobicContact CG2-CG1 4Å; V572-L626 HydrophobicContact CG1-CD1 4.26Å
573	R	80.9	Confident	75	Confident	37 Å²	37	56 Å²	56	14%	0.14	31%	0.312	C	S	.	.	H	α-helix	trans	-59.2	-45.5	174	178.9	-179.8	-178.6	-142.8	-6.1	112	M569 N570 E571 Q575 L576 K577 Y630 F644 P648	M569-R573 WeakPolarHBondContact O-CB 3.46Å; M569-R573 PolarHBondContact O-N 3.29Å; N570-R573 WeakPolarHBondContact O-CB 3.43Å; N570-R573 PolarHBondContact O-N 2.7Å; E571-R573 VanDerWaalsContact C-N 3.29Å; E571-R573 PolarHBondContact O-N 3.3Å; R573-Q575 VanDerWaalsContact C-N 3.34Å; R573-L576 PolarHBondContact O-N 3.02Å; R573-K577 WeakPolarHBondContact O-CB 3.36Å; R573-K577 WeakPolarHBondContact O-CG 3.38Å; R573-K577 PolarHBondContact O-N 2.84Å; R573-Y630 WeakPolarHBondContact CD-OH 3.34Å; R573-Y630 VanDerWaalsContact CZ-OH 3.3Å; R573-Y630 PolarHBondContact NE-OH 2.98Å; R573-Y630 PolarHBondContact NH1-OH 3.37Å; R573-F644 HydrophobicContact CB-CE2 4.41Å; R573-F644 HydrophobicContact CB-CZ 4.35Å; R573-F644 HydrophobicContact CG-CE2 3.87Å; R573-F644 HydrophobicContact CG-CZ 3.98Å; R573-P648 PolarHBondContact NH2-O 3.26Å
574	V	79.6	Confident	74.6	Confident	74 Å²	74	62.4 Å²	62.4	45%	0.448	32%	0.318	S	S	.	.	H	α-helix	trans	-63.8	-40.9	178.6	168.3	0	0	0	0	111.1	N570 E571 V572 K577 K578	N570-V574 VanDerWaalsContact O-CG2 3.28Å; N570-V574 WeakPolarHBondContact O-CG2 3.25Å; N570-V574 PolarHBondContact O-N 2.89Å; E571-V574 PolarHBondContact O-N 2.78Å; E571-V574 VanDerWaalsContact O-N 3.12Å; V572-V574 PolarHBondContact O-N 3.35Å; V574-K577 PolarHBondContact O-N 2.77Å; V574-K578 WeakPolarHBondContact O-CG 3.47Å; V574-K578 PolarHBondContact O-N 3.07Å
575	Q	78.9	Confident	74.1	Confident	43 Å²	43	63.2 Å²	63.2	20%	0.201	33%	0.326	C	S	.	.	H	α-helix	trans	-70.1	-40.5	178.5	-64.8	-72.8	10.6	0	0	112.2	E571 V572 R573 K577 K578 M579 I614 I616	E571-Q575 VanDerWaalsContact O-CG 3.31Å; E571-Q575 WeakPolarHBondContact O-CG 3.48Å; E571-Q575 PolarHBondContact O-N 3.27Å; V572-Q575 PolarHBondContact O-N 2.93Å; R573-Q575 VanDerWaalsContact C-N 3.34Å; Q575-K577 VanDerWaalsContact C-N 3.35Å; Q575-K577 PolarHBondContact O-N 2.85Å; Q575-K578 WeakPolarHBondContact O-CB 3.4Å; Q575-K578 PolarHBondContact O-N 2.83Å; Q575-M579 PolarHBondContact O-N 3.17Å; Q575-I614 HydrophobicContact CB-CG2 4.36Å; Q575-I616 HydrophobicContact CB-CD1 3.35Å; Q575-I616 HydrophobicContact CB-CG1 4.29Å; Q575-I616 HydrophobicContact CG-CD1 4.02Å
576	L	78.2	Confident	74.2	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-61	-43.7	172	-70.8	167.3	0	0	0	110.6	V572 R573 K578 M579 S580 M610 I614 L626 F644 F645	V572-L576 HydrophobicContact CG1-CD1 3.84Å; V572-L576 HydrophobicContact CG1-CG 4.36Å; V572-L576 WeakPolarHBondContact O-CB 3.24Å; V572-L576 VanDerWaalsContact O-CG 3.31Å; V572-L576 WeakPolarHBondContact O-CG 3.4Å; V572-L576 PolarHBondContact O-N 3.03Å; R573-L576 PolarHBondContact O-N 3.02Å; L576-K578 VanDerWaalsContact C-N 3.34Å; L576-K578 PolarHBondContact O-N 2.84Å; L576-M579 WeakPolarHBondContact O-CA 3.49Å; L576-M579 WeakPolarHBondContact O-CB 3.33Å; L576-M579 PolarHBondContact O-N 3.24Å; L576-S580 PolarHBondContact O-N 3.37Å; L576-M610 HydrophobicContact CD2-CB 4.02Å; L576-M610 HydrophobicContact CD2-CE 3.91Å; L576-I614 HydrophobicContact CD2-CD1 3.72Å; L576-I614 HydrophobicContact CG-CD1 4.42Å; L576-L626 HydrophobicContact CD1-CD1 4.04Å; L576-F644 HydrophobicContact CB-CE1 4.11Å; L576-F644 HydrophobicContact CB-CZ 4.33Å; L576-F644 HydrophobicContact CD1-CE1 4.24Å; L576-F644 HydrophobicContact CD1-CZ 3.99Å; L576-F645 HydrophobicContact CB-CE1 4.36Å; L576-F645 WeakPolarHBondContact O-CE1 3.48Å
577	K	78.7	Confident	74.2	Confident	32 Å²	32	67.1 Å²	67.1	14%	0.139	33%	0.333	C	S	.	.	H	α-helix	trans	-60	-39.1	173.6	-79.9	-179.5	167.8	-175.4	0	113	R573 V574 Q575 M579 S580 I581 F645 Q647 P648	R573-K577 WeakPolarHBondContact O-CB 3.36Å; R573-K577 WeakPolarHBondContact O-CG 3.38Å; R573-K577 PolarHBondContact O-N 2.84Å; V574-K577 PolarHBondContact O-N 2.77Å; Q575-K577 VanDerWaalsContact C-N 3.35Å; Q575-K577 PolarHBondContact O-N 2.85Å; K577-M579 PolarHBondContact O-N 2.74Å; K577-S580 PolarHBondContact O-N 2.95Å; K577-S580 PolarHBondContact O-OG 3.43Å; K577-I581 WeakPolarHBondContact O-CG1 3.1Å; K577-I581 PolarHBondContact O-N 3.27Å; K577-F645 HydrophobicContact CG-CD1 4.28Å; K577-Q647 VanDerWaalsContact CE-O 3.27Å; K577-Q647 WeakPolarHBondContact CE-O 3.45Å; K577-Q647 PolarHBondContact NZ-O 2.95Å; K577-P648 PolarHBondContact NZ-O 2.76Å; K577-P648 VanDerWaalsContact NZ-O 3.13Å; K577-P648 PolarHBondContact NZ-OXT 2.94Å
578	K	75.2	Confident	74.3	Confident	105 Å²	105	66.1 Å²	66.1	46%	0.457	33%	0.328	S	S	.	.	H	α-helix	trans	-61	-36.9	173.4	-74	173.4	-174.3	170.7	0	111.2	V574 Q575 L576 S580 I581 T582	V574-K578 WeakPolarHBondContact O-CG 3.47Å; V574-K578 PolarHBondContact O-N 3.07Å; Q575-K578 WeakPolarHBondContact O-CB 3.4Å; Q575-K578 PolarHBondContact O-N 2.83Å; L576-K578 VanDerWaalsContact C-N 3.34Å; L576-K578 PolarHBondContact O-N 2.84Å; K578-S580 PolarHBondContact O-N 3.01Å; K578-I581 PolarHBondContact O-N 3.46Å; K578-T582 WeakPolarHBondContact O-CG2 3.24Å; K578-T582 PolarHBondContact O-N 2.97Å; K578-T582 PolarHBondContact O-OG1 3.43Å; K578-T582 VanDerWaalsContact O-OG1 3.08Å
579	M	75.5	Confident	74.5	Confident	8 Å²	8	68.8 Å²	68.8	4%	0.039	34%	0.342	C	S	.	.	H	α-helix	trans	-58.7	-45.4	175.5	-167.8	-169	-163.6	0	0	112.2	Q575 L576 K577 I581 T582 D583 M590 Y594 M610 K613 I614	Q575-M579 PolarHBondContact O-N 3.17Å; L576-M579 WeakPolarHBondContact O-CA 3.49Å; L576-M579 WeakPolarHBondContact O-CB 3.33Å; L576-M579 PolarHBondContact O-N 3.24Å; K577-M579 PolarHBondContact O-N 2.74Å; M579-I581 PolarHBondContact O-N 3.18Å; M579-T582 WeakPolarHBondContact CA-OG1 3.3Å; M579-T582 PolarHBondContact O-N 3.45Å; M579-T582 PolarHBondContact O-OG1 3.45Å; M579-D583 PolarHBondContact O-N 3.28Å; M579-M590 HydrophobicContact CG-CE 4.39Å; M579-M590 HydrophobicContact SD-CE 3.85Å; M579-Y594 HydrophobicContact CE-CE2 4.22Å; M579-Y594 WeakPolarHBondContact CE-OH 3.49Å; M579-M610 HydrophobicContact SD-CE 4.21Å; M579-K613 HydrophobicContact CE-CB 4.12Å; M579-K613 HydrophobicContact CE-CD 3.51Å; M579-K613 HydrophobicContact CE-CG 4.04Å; M579-I614 HydrophobicContact CB-CD1 3.68Å; M579-I614 HydrophobicContact CB-CG1 4.18Å; M579-I614 HydrophobicContact CE-CG1 4.27Å; M579-I614 HydrophobicContact CG-CD1 3.99Å; M579-I614 HydrophobicContact CG-CG1 4.09Å; M579-I614 HydrophobicContact SD-CD1 3.57Å; M579-I614 VanDerWaalsContact SD-CD1 3.57Å; M579-I614 HydrophobicContact SD-CG1 3.84Å
580	S	72.2	Confident	74.5	Confident	29 Å²	29	69.1 Å²	69.1	20%	0.203	34%	0.344	C	S	.	.	H	α-helix	trans	-68.4	-22.9	178.9	69	0	0	0	0	113.4	L576 K577 K578 F645	L576-S580 PolarHBondContact O-N 3.37Å; K577-S580 PolarHBondContact O-N 2.95Å; K577-S580 PolarHBondContact O-OG 3.43Å; K578-S580 PolarHBondContact O-N 3.01Å; S580-F645 VanDerWaalsContact CB-CD1 3.49Å; S580-F645 WeakPolarHBondContact OG-CD1 3.45Å
581	I	69.7	Low	74.7	Confident	137 Å²	137	66.6 Å²	66.6	70%	0.703	33%	0.33	S	S	*	.	H	α-helix	trans	-79.8	-35.9	172.6	-60.9	165.4	0	0	0	110.8	K577 K578 M579	K577-I581 WeakPolarHBondContact O-CG1 3.1Å; K577-I581 PolarHBondContact O-N 3.27Å; K578-I581 PolarHBondContact O-N 3.46Å; M579-I581 PolarHBondContact O-N 3.18Å
582	T	64.3	Low	74.9	Confident	106 Å²	106	68.1 Å²	68.1	65%	0.65	34%	0.34	S	S	*	.	H	α-helix	trans	-79.6	-37.6	-178.4	51.2	0	0	0	0	114.6	K578 M579 K584	K578-T582 WeakPolarHBondContact O-CG2 3.24Å; K578-T582 PolarHBondContact O-N 2.97Å; K578-T582 PolarHBondContact O-OG1 3.43Å; K578-T582 VanDerWaalsContact O-OG1 3.08Å; M579-T582 WeakPolarHBondContact CA-OG1 3.3Å; M579-T582 PolarHBondContact O-N 3.45Å; M579-T582 PolarHBondContact O-OG1 3.45Å; T582-K584 PolarHBondContact O-N 2.7Å
583	D	61.8	Low	75.1	Confident	45 Å²	45	73.1 Å²	73.1	24%	0.241	36%	0.361	C	S	.	.	S	Bend	trans	-79.4	107.7	172.8	-99.5	-22.4	0	0	0	107.5	M579 C585 K593 K613	M579-D583 PolarHBondContact O-N 3.28Å; D583-C585 PolarHBondContact O-N 3.45Å; D583-K593 IonicContact OD2-NZ 3.45Å; D583-K613 IonicContact OD1-NZ 3.95Å; D583-K613 IonicContact OD2-NZ 2.72Å; D583-K613 PolarHBondContact OD2-NZ 2.95Å
584	K	60.6	Low	75.1	Confident	213 Å²	213	71.8 Å²	71.8	93%	0.926	36%	0.356	S	S	*	.			trans	-64.7	23.6	-178.7	-69.9	-179.1	175.5	176.8	0	115.1	T582	T582-K584 PolarHBondContact O-N 2.7Å
585	C	64.3	Low	75.3	Confident	71 Å²	71	69 Å²	69	48%	0.48	34%	0.339	S	S	.	.	S	Bend	trans	-101.6	154.7	-177.1	-56.2	0	0	0	0	110.5	D583 D589	D583-C585 PolarHBondContact O-N 3.45Å; C585-D589 HydrophobicContact CB-CB 3.78Å
586	R	73.5	Confident	75.1	Confident	186 Å²	186	73.1 Å²	73.1	70%	0.702	36%	0.356	S	S	*	.			trans	-60.6	149.5	173.5	-67.3	174.2	86.1	135.5	1.7	108.6	D588 D589 M590	R586-D588 PolarHBondContact O-N 3.29Å; R586-D588 VanDerWaalsContact O-N 3.1Å; R586-D589 PolarHBondContact N-OD2 2.95Å; R586-D589 VanDerWaalsContact N-OD2 3.11Å; R586-D589 WeakPolarHBondContact O-CA 3.46Å; R586-D589 WeakPolarHBondContact O-CB 3.38Å; R586-D589 PolarHBondContact O-N 2.94Å; R586-M590 PolarHBondContact O-N 3.38Å; R586-M590 VanDerWaalsContact O-N 3.12Å
587	I	76.8	Confident	75.1	Confident	45 Å²	45	77.2 Å²	77.2	23%	0.231	38%	0.378	C	S	.	.	H	α-helix	trans	-54.2	-33.7	176.7	-61.8	166	0	0	0	110.4	D589 M590 F591 F641 F645 E646	I587-D589 PolarHBondContact O-N 2.69Å; I587-M590 WeakPolarHBondContact O-CB 3.28Å; I587-M590 PolarHBondContact O-N 3.11Å; I587-F591 PolarHBondContact O-N 3.11Å; I587-F641 HydrophobicContact CG2-CD1 3.94Å; I587-F641 HydrophobicContact CG2-CE1 4.16Å; I587-F645 HydrophobicContact CD1-CB 3.97Å; I587-F645 HydrophobicContact CG2-CD2 4.08Å; I587-E646 HydrophobicContact CD1-CG 4.19Å
588	D	78.3	Confident	75	Confident	75 Å²	75	86.5 Å²	86.5	40%	0.401	41%	0.412	S	S	.	.	H	α-helix	trans	-59.3	-41.8	173.3	-52.1	-31.9	0	0	0	112.9	R586 M590 F591 L592	R586-D588 PolarHBondContact O-N 3.29Å; R586-D588 VanDerWaalsContact O-N 3.1Å; D588-M590 VanDerWaalsContact C-N 3.33Å; D588-F591 WeakPolarHBondContact O-CB 3.34Å; D588-F591 PolarHBondContact O-N 3.03Å; D588-L592 WeakPolarHBondContact O-CG 3.45Å; D588-L592 PolarHBondContact O-N 3.39Å
589	D	81.3	Confident	75.1	Confident	78 Å²	78	90.1 Å²	90.1	42%	0.417	42%	0.423	S	S	.	.	H	α-helix	trans	-68	-36.6	176.6	-62.1	-35.3	0	0	0	111	C585 R586 I587 L592 K593	C585-D589 HydrophobicContact CB-CB 3.78Å; R586-D589 PolarHBondContact N-OD2 2.95Å; R586-D589 VanDerWaalsContact N-OD2 3.11Å; R586-D589 WeakPolarHBondContact O-CA 3.46Å; R586-D589 WeakPolarHBondContact O-CB 3.38Å; R586-D589 PolarHBondContact O-N 2.94Å; I587-D589 PolarHBondContact O-N 2.69Å; D589-L592 PolarHBondContact O-N 2.78Å; D589-K593 WeakPolarHBondContact O-CB 3.42Å; D589-K593 PolarHBondContact O-N 3.19Å
590	M	78.8	Confident	75.3	Confident	8 Å²	8	91.9 Å²	91.9	4%	0.039	44%	0.443	C	S	.	.	H	α-helix	trans	-65.7	-41.8	175.3	-174.2	172.8	162.3	0	0	110.7	M579 R586 I587 D588 K593 Y594 M610 F641 F645	M579-M590 HydrophobicContact CG-CE 4.39Å; M579-M590 HydrophobicContact SD-CE 3.85Å; R586-M590 PolarHBondContact O-N 3.38Å; R586-M590 VanDerWaalsContact O-N 3.12Å; I587-M590 WeakPolarHBondContact O-CB 3.28Å; I587-M590 PolarHBondContact O-N 3.11Å; D588-M590 VanDerWaalsContact C-N 3.33Å; M590-K593 PolarHBondContact O-N 2.81Å; M590-Y594 HydrophobicContact CG-CD2 4.21Å; M590-Y594 HydrophobicContact CG-CE2 4.09Å; M590-Y594 VanDerWaalsContact O-CD2 3.25Å; M590-Y594 WeakPolarHBondContact O-CD2 3.36Å; M590-Y594 PolarHBondContact O-N 2.85Å; M590-M610 HydrophobicContact CE-CE 3.18Å; M590-F641 HydrophobicContact CB-CE1 4.45Å; M590-F641 HydrophobicContact CE-CZ 4.21Å; M590-F641 HydrophobicContact CG-CE1 4.25Å; M590-F641 HydrophobicContact CG-CZ 4.28Å; M590-F645 HydrophobicContact CE-CE1 4.02Å; M590-F645 HydrophobicContact CE-CE2 4.02Å; M590-F645 HydrophobicContact CE-CZ 3.43Å; M590-F645 VanDerWaalsContact CE-CZ 3.43Å; M590-F645 HydrophobicContact SD-CZ 4.37Å
591	F	83.7	Confident	75.9	Confident	11 Å²	11	92 Å²	92	5%	0.048	44%	0.444	C	S	.	.	H	α-helix	trans	-60.7	-46.5	173.4	-175.5	-92.9	0	0	0	111.7	I587 D588 K593 Y594 N595 I602 L638 F641	I587-F591 PolarHBondContact O-N 3.11Å; D588-F591 WeakPolarHBondContact O-CB 3.34Å; D588-F591 PolarHBondContact O-N 3.03Å; F591-K593 VanDerWaalsContact C-N 3.29Å; F591-K593 PolarHBondContact O-N 2.91Å; F591-Y594 PolarHBondContact O-N 3.42Å; F591-N595 HydrophobicContact CD1-CB 4.45Å; F591-N595 HydrophobicContact CE1-CB 4.31Å; F591-N595 VanDerWaalsContact CE1-ND2 3.31Å; F591-N595 WeakPolarHBondContact CE1-ND2 3.47Å; F591-N595 WeakPolarHBondContact O-CB 3.4Å; F591-N595 PolarHBondContact O-N 2.68Å; F591-I602 HydrophobicContact CD2-CD1 3.31Å; F591-I602 HydrophobicContact CD2-CG1 3.82Å; F591-I602 HydrophobicContact CE2-CB 4.39Å; F591-I602 HydrophobicContact CE2-CD1 3.67Å; F591-I602 HydrophobicContact CE2-CG1 3.65Å; F591-I602 HydrophobicContact CG-CD1 4.13Å; F591-I602 HydrophobicContact CZ-CG1 4.4Å; F591-L638 HydrophobicContact CB-CD1 3.59Å; F591-L638 HydrophobicContact CD1-CB 4.26Å; F591-L638 HydrophobicContact CD1-CD1 3.57Å; F591-L638 HydrophobicContact CD1-CG 4.44Å; F591-L638 HydrophobicContact CD2-CB 4.46Å; F591-L638 HydrophobicContact CD2-CD1 3.95Å; F591-L638 HydrophobicContact CE1-CB 3.97Å; F591-L638 HydrophobicContact CE1-CD1 4.18Å; F591-L638 HydrophobicContact CE2-CB 4.22Å; F591-L638 HydrophobicContact CG-CB 4.48Å; F591-L638 HydrophobicContact CG-CD1 3.43Å; F591-L638 VanDerWaalsContact CG-CD1 3.43Å; F591-L638 HydrophobicContact CZ-CB 3.96Å; F591-F641 HydrophobicContact CB-CD1 3.87Å; F591-F641 HydrophobicContact CB-CE1 3.99Å; F591-F641 HydrophobicContact CD2-CB 3.73Å; F591-F641 AromaticContact CD2-CD1 3.7Å; F591-F641 HydrophobicContact CD2-CD1 3.7Å; F591-F641 HydrophobicContact CD2-CD2 4.44Å; F591-F641 HydrophobicContact CD2-CE1 4.33Å; F591-F641 AromaticContact CD2-CG 3.73Å; F591-F641 HydrophobicContact CD2-CG 3.73Å; F591-F641 HydrophobicContact CE2-CB 4.09Å; F591-F641 HydrophobicContact CE2-CG 4.44Å; F591-F641 HydrophobicContact CG-CD1 4.29Å
592	L	83.1	Confident	76.6	Confident	123 Å²	123	85.5 Å²	85.5	64%	0.644	41%	0.41	S	S	*	.	H	α-helix	trans	-62.7	-33.6	177.5	-74.8	163.6	0	0	0	112.9	D588 D589	D588-L592 WeakPolarHBondContact O-CG 3.45Å; D588-L592 PolarHBondContact O-N 3.39Å; D589-L592 PolarHBondContact O-N 2.78Å
593	K	82.3	Confident	77.6	Confident	109 Å²	109	82 Å²	82	47%	0.474	39%	0.388	S	S	.	.	H	α-helix	trans	-68.8	-36.5	179.5	-174.7	174.6	-178.2	169.8	0	113.1	D583 D589 M590 F591	D583-K593 IonicContact OD2-NZ 3.45Å; D589-K593 WeakPolarHBondContact O-CB 3.42Å; D589-K593 PolarHBondContact O-N 3.19Å; M590-K593 PolarHBondContact O-N 2.81Å; F591-K593 VanDerWaalsContact C-N 3.29Å; F591-K593 PolarHBondContact O-N 2.91Å
594	Y	81.4	Confident	78.8	Confident	10 Å²	10	81.7 Å²	81.7	4%	0.039	39%	0.385	C	S	.	.	H	α-helix	trans	-95.9	-19.2	-179.4	-67.1	-71.9	0	0	0	113.5	M579 M590 F591 K596 N606 M610 K613	M579-Y594 HydrophobicContact CE-CE2 4.22Å; M579-Y594 WeakPolarHBondContact CE-OH 3.49Å; M590-Y594 HydrophobicContact CG-CD2 4.21Å; M590-Y594 HydrophobicContact CG-CE2 4.09Å; M590-Y594 VanDerWaalsContact O-CD2 3.25Å; M590-Y594 WeakPolarHBondContact O-CD2 3.36Å; M590-Y594 PolarHBondContact O-N 2.85Å; F591-Y594 PolarHBondContact O-N 3.42Å; Y594-K596 PolarHBondContact O-N 3.25Å; Y594-N606 PolarHBondContact O-OD1 3.21Å; Y594-M610 HydrophobicContact CD1-CG 3.54Å; Y594-M610 HydrophobicContact CD2-CE 4.37Å; Y594-M610 HydrophobicContact CD2-CG 3.7Å; Y594-M610 HydrophobicContact CD2-SD 3.95Å; Y594-M610 HydrophobicContact CE1-CG 3.66Å; Y594-M610 HydrophobicContact CE2-CE 4.42Å; Y594-M610 HydrophobicContact CE2-CG 3.82Å; Y594-M610 HydrophobicContact CE2-SD 4.42Å; Y594-M610 HydrophobicContact CG-CG 3.59Å; Y594-M610 HydrophobicContact CG-SD 4.07Å; Y594-K613 VanDerWaalsContact OH-CD 3.32Å; Y594-K613 WeakPolarHBondContact OH-CD 3.24Å
595	N	83.1	Confident	79.9	Confident	14 Å²	14	78 Å²	78	8%	0.075	37%	0.371	C	S	.	.			trans	-79.4	61.5	172.8	-168.7	-8	0	0	0	111.8	F591 D597 R598 R599 G600 C601	F591-N595 HydrophobicContact CD1-CB 4.45Å; F591-N595 HydrophobicContact CE1-CB 4.31Å; F591-N595 VanDerWaalsContact CE1-ND2 3.31Å; F591-N595 WeakPolarHBondContact CE1-ND2 3.47Å; F591-N595 WeakPolarHBondContact O-CB 3.4Å; F591-N595 PolarHBondContact O-N 2.68Å; N595-D597 PolarHBondContact O-N 2.68Å; N595-R598 PolarHBondContact O-N 2.9Å; N595-R598 VanDerWaalsContact O-N 3.16Å; N595-R598 PolarHBondContact OD1-N 3.36Å; N595-R599 PolarHBondContact OD1-N 2.76Å; N595-G600 WeakPolarHBondContact ND2-CA 3.5Å; N595-G600 PolarHBondContact ND2-N 3.25Å; N595-C601 PolarHBondContact ND2-N 3.19Å
596	K	75.2	Confident	80.9	Confident	130 Å²	130	75.1 Å²	75.1	57%	0.565	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-32.4	-177.7	-71.6	173.5	176.3	166.2	0	112.5	Y594 R598 D609	Y594-K596 PolarHBondContact O-N 3.25Å; K596-R598 VanDerWaalsContact C-N 3.31Å; K596-R598 PolarHBondContact O-N 2.93Å; K596-D609 IonicContact NZ-OD2 2.77Å; K596-D609 PolarHBondContact NZ-OD2 3.08Å
597	D	77.8	Confident	81.4	Confident	86 Å²	86	66.4 Å²	66.4	46%	0.46	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-5.5	-177.1	-72	2.7	0	0	0	114.2	N595 R599	N595-D597 PolarHBondContact O-N 2.68Å; D597-R599 HydrophobicContact CB-CG 3.96Å; D597-R599 PolarHBondContact O-N 3.21Å
598	R	75.9	Confident	81.9	Confident	228 Å²	228	66.6 Å²	66.6	86%	0.86	32%	0.318	S	S	*	.			trans	52.6	27.5	-177.9	-57.4	-175.8	179	-172.1	-0.6	113.9	N595 K596 G600	N595-R598 PolarHBondContact O-N 2.9Å; N595-R598 VanDerWaalsContact O-N 3.16Å; N595-R598 PolarHBondContact OD1-N 3.36Å; K596-R598 VanDerWaalsContact C-N 3.31Å; K596-R598 PolarHBondContact O-N 2.93Å; R598-G600 PolarHBondContact O-N 3.49Å
599	R	78.5	Confident	82.1	Confident	181 Å²	181	65.5 Å²	65.5	68%	0.683	31%	0.312	S	S	*	.	S	Bend	trans	-81.2	0.1	179.9	-70.7	178.8	179.5	-160.1	0.2	113.5	N595 D597 C601	N595-R599 PolarHBondContact OD1-N 2.76Å; D597-R599 HydrophobicContact CB-CG 3.96Å; D597-R599 PolarHBondContact O-N 3.21Å; R599-C601 PolarHBondContact O-N 2.83Å; R599-C601 PolarHBondContact O-SG 2.81Å
600	G	79.7	Confident	82.2	Confident	44 Å²	44	61.8 Å²	61.8	45%	0.454	29%	0.292	S	S	.	.	S	Bend	trans	74	9.7	-177.7	0	0	0	0	0	114.7	N595 R598	N595-G600 WeakPolarHBondContact ND2-CA 3.5Å; N595-G600 PolarHBondContact ND2-N 3.25Å; R598-G600 PolarHBondContact O-N 3.49Å
601	C	84.7	Confident	82.4	Confident	33 Å²	33	61.5 Å²	61.5	22%	0.223	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	151.7	178.8	15	0	0	0	0	111.7	N595 R599 K635 M636	N595-C601 PolarHBondContact ND2-N 3.19Å; R599-C601 PolarHBondContact O-N 2.83Å; R599-C601 PolarHBondContact O-SG 2.81Å; C601-K635 HydrophobicContact CB-CB 4.03Å; C601-K635 HydrophobicContact CB-CD 4.33Å; C601-M636 CarbonylContact C-O 3.47Å; C601-M636 VanDerWaalsContact CA-O 3.27Å; C601-M636 WeakPolarHBondContact CA-O 3.42Å
602	I	84.7	Confident	82.4	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	128.3	170	-72.9	174.4	0	0	0	107.9	F591 N606 L607 K635 M636 F641	F591-I602 HydrophobicContact CD2-CD1 3.31Å; F591-I602 HydrophobicContact CD2-CG1 3.82Å; F591-I602 HydrophobicContact CE2-CB 4.39Å; F591-I602 HydrophobicContact CE2-CD1 3.67Å; F591-I602 HydrophobicContact CE2-CG1 3.65Å; F591-I602 HydrophobicContact CG-CD1 4.13Å; F591-I602 HydrophobicContact CZ-CG1 4.4Å; I602-N606 HydrophobicContact CB-CB 4.45Å; I602-N606 HydrophobicContact CG2-CB 3.82Å; I602-L607 HydrophobicContact CG2-CD2 4.29Å; I602-L607 HydrophobicContact CG2-CG 4.08Å; I602-K635 CarbonylContact O-C 3.57Å; I602-K635 WeakPolarHBondContact O-CA 3.36Å; I602-M636 PolarHBondContact N-O 3.14Å; I602-M636 PolarHBondContact O-N 2.85Å; I602-F641 HydrophobicContact CD1-CD1 4.21Å; I602-F641 HydrophobicContact CD1-CD2 3.41Å; I602-F641 VanDerWaalsContact CD1-CD2 3.41Å; I602-F641 HydrophobicContact CD1-CE1 4.08Å; I602-F641 HydrophobicContact CD1-CE2 3.25Å; I602-F641 HydrophobicContact CD1-CG 3.86Å; I602-F641 HydrophobicContact CD1-CZ 3.58Å
603	D	84.7	Confident	82.3	Confident	33 Å²	33	66.1 Å²	66.1	18%	0.176	31%	0.305	C	S	.	.			trans	-111.6	-175	179.4	58.7	13.6	0	0	0	110.5	E605 N606 L607 K635	D603-E605 PolarHBondContact O-N 2.81Å; D603-E605 PolarHBondContact OD1-N 2.89Å; D603-N606 PolarHBondContact O-N 3.47Å; D603-N606 WeakPolarHBondContact OD1-CB 3.43Å; D603-N606 PolarHBondContact OD1-N 2.84Å; D603-N606 PolarHBondContact OD1-ND2 3.05Å; D603-L607 PolarHBondContact O-N 3.05Å; D603-K635 HydrophobicContact CB-CG 4.4Å
604	I	86.1	Confident	82	Confident	37 Å²	37	62.9 Å²	62.9	19%	0.19	29%	0.293	C	S	.	.	H	α-helix	trans	-61.6	-32.4	-179.6	-160	170.7	0	0	0	112.6	L607 K608 E620 L623 K624 L627	I604-L607 PolarHBondContact O-N 2.96Å; I604-K608 VanDerWaalsContact O-CG 3.27Å; I604-K608 WeakPolarHBondContact O-CG 3.06Å; I604-K608 PolarHBondContact O-N 3.45Å; I604-E620 HydrophobicContact CD1-CG 4.48Å; I604-L623 HydrophobicContact CD1-CB 4.3Å; I604-L623 HydrophobicContact CG1-CB 4Å; I604-L623 HydrophobicContact CG1-CD1 4.49Å; I604-K624 HydrophobicContact CD1-CD 4.4Å; I604-K624 HydrophobicContact CD1-CG 3.68Å; I604-L627 HydrophobicContact CB-CD1 3.84Å; I604-L627 HydrophobicContact CG1-CD1 4.27Å
605	E	84.6	Confident	81.9	Confident	135 Å²	135	70.2 Å²	70.2	63%	0.631	33%	0.327	S	S	*	.	H	α-helix	trans	-69.4	-42.8	179.2	-65.7	-171.1	178.9	0	0	111	D603 K608 D609	D603-E605 PolarHBondContact O-N 2.81Å; D603-E605 PolarHBondContact OD1-N 2.89Å; E605-K608 WeakPolarHBondContact O-CB 3.35Å; E605-K608 PolarHBondContact O-N 3.48Å; E605-D609 PolarHBondContact O-N 3.08Å
606	N	85.2	Confident	81.5	Confident	12 Å²	12	69.9 Å²	69.9	6%	0.064	33%	0.325	C	S	.	.	H	α-helix	trans	-63.3	-40.3	174.5	-67.2	-35.1	0	0	0	111.7	Y594 I602 D603 D609 M610	Y594-N606 PolarHBondContact O-OD1 3.21Å; I602-N606 HydrophobicContact CB-CB 4.45Å; I602-N606 HydrophobicContact CG2-CB 3.82Å; D603-N606 PolarHBondContact O-N 3.47Å; D603-N606 WeakPolarHBondContact OD1-CB 3.43Å; D603-N606 PolarHBondContact OD1-N 2.84Å; D603-N606 PolarHBondContact OD1-ND2 3.05Å; N606-D609 WeakPolarHBondContact O-CB 3.39Å; N606-D609 PolarHBondContact O-N 3.01Å; N606-M610 WeakPolarHBondContact O-CG 3.46Å; N606-M610 PolarHBondContact O-N 3.47Å; N606-M610 VanDerWaalsContact O-N 3.14Å
607	L	84.1	Confident	81.4	Confident	2 Å²	2	66.3 Å²	66.3	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-65.3	-40.1	173.5	-76.9	178.2	0	0	0	112.9	I602 D603 I604 D609 M610 C611 L623 L626 L627	I602-L607 HydrophobicContact CG2-CD2 4.29Å; I602-L607 HydrophobicContact CG2-CG 4.08Å; D603-L607 PolarHBondContact O-N 3.05Å; I604-L607 PolarHBondContact O-N 2.96Å; L607-D609 VanDerWaalsContact C-N 3.25Å; L607-D609 PolarHBondContact O-N 3.38Å; L607-M610 HydrophobicContact CD2-SD 4.06Å; L607-M610 WeakPolarHBondContact O-CB 3.27Å; L607-M610 PolarHBondContact O-N 3.38Å; L607-M610 VanDerWaalsContact O-N 3.14Å; L607-C611 PolarHBondContact O-N 3.33Å; L607-C611 PolarHBondContact O-SG 2.73Å; L607-L623 HydrophobicContact CB-CD1 4.43Å; L607-L623 HydrophobicContact CB-CD2 4.18Å; L607-L623 HydrophobicContact CD1-CD2 4.46Å; L607-L626 HydrophobicContact CD1-CD2 4.15Å; L607-L627 HydrophobicContact CD1-CD1 3.97Å; L607-L627 HydrophobicContact CD1-CD2 3.61Å; L607-L627 HydrophobicContact CD1-CG 3.59Å
608	K	86	Confident	81.1	Confident	50 Å²	50	64.9 Å²	64.9	22%	0.217	31%	0.311	C	S	.	.	H	α-helix	trans	-59.1	-38.7	173.7	-75.6	179.7	177.2	178.3	0	111.5	I604 E605 M610 C611 K612 P618 E620 L623	I604-K608 VanDerWaalsContact O-CG 3.27Å; I604-K608 WeakPolarHBondContact O-CG 3.06Å; I604-K608 PolarHBondContact O-N 3.45Å; E605-K608 WeakPolarHBondContact O-CB 3.35Å; E605-K608 PolarHBondContact O-N 3.48Å; K608-M610 VanDerWaalsContact C-N 3.35Å; K608-C611 PolarHBondContact O-N 3.18Å; K608-K612 WeakPolarHBondContact O-CG 3.45Å; K608-K612 PolarHBondContact O-N 3.26Å; K608-P618 HydrophobicContact CB-CB 4.3Å; K608-P618 HydrophobicContact CG-CB 4.01Å; K608-E620 IonicContact NZ-OE1 3.78Å; K608-E620 PolarHBondContact NZ-OE1 2.84Å; K608-L623 HydrophobicContact CB-CD1 4.48Å; K608-L623 HydrophobicContact CG-CD1 3.59Å
609	D	84.4	Confident	81.3	Confident	51 Å²	51	56.5 Å²	56.5	27%	0.273	28%	0.283	S	S	.	.	H	α-helix	trans	-66.1	-37.4	176.7	-154.9	32.3	0	0	0	111.8	K596 E605 N606 L607 K613	K596-D609 IonicContact NZ-OD2 2.77Å; K596-D609 PolarHBondContact NZ-OD2 3.08Å; E605-D609 PolarHBondContact O-N 3.08Å; N606-D609 WeakPolarHBondContact O-CB 3.39Å; N606-D609 PolarHBondContact O-N 3.01Å; L607-D609 VanDerWaalsContact C-N 3.25Å; L607-D609 PolarHBondContact O-N 3.38Å; D609-K613 PolarHBondContact O-N 3.04Å
610	M	82.7	Confident	81.5	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-64.5	-46.6	172.4	-64.8	176	67	0	0	112.2	L576 M579 M590 Y594 N606 L607 K608 K612 K613 I614 F641 F645	L576-M610 HydrophobicContact CD2-CB 4.02Å; L576-M610 HydrophobicContact CD2-CE 3.91Å; M579-M610 HydrophobicContact SD-CE 4.21Å; M590-M610 HydrophobicContact CE-CE 3.18Å; Y594-M610 HydrophobicContact CD1-CG 3.54Å; Y594-M610 HydrophobicContact CD2-CE 4.37Å; Y594-M610 HydrophobicContact CD2-CG 3.7Å; Y594-M610 HydrophobicContact CD2-SD 3.95Å; Y594-M610 HydrophobicContact CE1-CG 3.66Å; Y594-M610 HydrophobicContact CE2-CE 4.42Å; Y594-M610 HydrophobicContact CE2-CG 3.82Å; Y594-M610 HydrophobicContact CE2-SD 4.42Å; Y594-M610 HydrophobicContact CG-CG 3.59Å; Y594-M610 HydrophobicContact CG-SD 4.07Å; N606-M610 WeakPolarHBondContact O-CG 3.46Å; N606-M610 PolarHBondContact O-N 3.47Å; N606-M610 VanDerWaalsContact O-N 3.14Å; L607-M610 HydrophobicContact CD2-SD 4.06Å; L607-M610 WeakPolarHBondContact O-CB 3.27Å; L607-M610 PolarHBondContact O-N 3.38Å; L607-M610 VanDerWaalsContact O-N 3.14Å; K608-M610 VanDerWaalsContact C-N 3.35Å; M610-K612 VanDerWaalsContact C-N 3.32Å; M610-K612 PolarHBondContact O-N 2.88Å; M610-K613 PolarHBondContact O-N 2.71Å; M610-K613 VanDerWaalsContact O-N 3.15Å; M610-I614 PolarHBondContact O-N 2.97Å; M610-F641 HydrophobicContact CE-CE2 4.18Å; M610-F641 HydrophobicContact CE-CZ 4.01Å; M610-F641 HydrophobicContact SD-CE2 4.11Å; M610-F641 HydrophobicContact SD-CZ 4.23Å; M610-F645 HydrophobicContact CE-CZ 4.21Å
611	C	83.7	Confident	81.7	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.007	26%	0.263	C	S	.	.	H	α-helix	trans	-60.2	-40.1	177.4	-71.6	0	0	0	0	112.2	L607 K608 K613 I614 H615 I616 P618	L607-C611 PolarHBondContact O-N 3.33Å; L607-C611 PolarHBondContact O-SG 2.73Å; K608-C611 PolarHBondContact O-N 3.18Å; C611-K613 VanDerWaalsContact C-N 3.3Å; C611-K613 PolarHBondContact O-N 2.9Å; C611-I614 PolarHBondContact O-N 3.1Å; C611-H615 PolarHBondContact O-N 2.81Å; C611-I616 HydrophobicContact CB-CB 4.28Å; C611-I616 PolarHBondContact O-N 2.83Å; C611-P618 HydrophobicContact CB-CB 4.4Å
612	K	83	Confident	81.6	Confident	135 Å²	135	51.3 Å²	51.3	59%	0.587	25%	0.253	S	S	*	.	H	α-helix	trans	-58.6	-39.5	174.9	-78.1	176	-177.7	177.1	0	112.6	K608 M610 I614 H615	K608-K612 WeakPolarHBondContact O-CG 3.45Å; K608-K612 PolarHBondContact O-N 3.26Å; M610-K612 VanDerWaalsContact C-N 3.32Å; M610-K612 PolarHBondContact O-N 2.88Å; K612-I614 VanDerWaalsContact C-N 3.3Å; K612-I614 PolarHBondContact O-N 3.41Å; K612-H615 PolarHBondContact O-N 3.01Å
613	K	80.1	Confident	81.6	Confident	96 Å²	96	51.4 Å²	51.4	42%	0.417	25%	0.254	S	S	.	.	H	α-helix	trans	-69.9	-25.9	179.9	-170.4	175	165.9	-147.2	0	113.1	M579 D583 Y594 D609 M610 C611	M579-K613 HydrophobicContact CE-CB 4.12Å; M579-K613 HydrophobicContact CE-CD 3.51Å; M579-K613 HydrophobicContact CE-CG 4.04Å; D583-K613 IonicContact OD1-NZ 3.95Å; D583-K613 IonicContact OD2-NZ 2.72Å; D583-K613 PolarHBondContact OD2-NZ 2.95Å; Y594-K613 VanDerWaalsContact OH-CD 3.32Å; Y594-K613 WeakPolarHBondContact OH-CD 3.24Å; D609-K613 PolarHBondContact O-N 3.04Å; M610-K613 PolarHBondContact O-N 2.71Å; M610-K613 VanDerWaalsContact O-N 3.15Å; C611-K613 VanDerWaalsContact C-N 3.3Å; C611-K613 PolarHBondContact O-N 2.9Å
614	I	77	Confident	81.6	Confident	41 Å²	41	54.6 Å²	54.6	21%	0.21	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	4.6	-179.6	-46.1	162.4	0	0	0	111.6	Q575 L576 M579 M610 C611 K612 I616	Q575-I614 HydrophobicContact CB-CG2 4.36Å; L576-I614 HydrophobicContact CD2-CD1 3.72Å; L576-I614 HydrophobicContact CG-CD1 4.42Å; M579-I614 HydrophobicContact CB-CD1 3.68Å; M579-I614 HydrophobicContact CB-CG1 4.18Å; M579-I614 HydrophobicContact CE-CG1 4.27Å; M579-I614 HydrophobicContact CG-CD1 3.99Å; M579-I614 HydrophobicContact CG-CG1 4.09Å; M579-I614 HydrophobicContact SD-CD1 3.57Å; M579-I614 VanDerWaalsContact SD-CD1 3.57Å; M579-I614 HydrophobicContact SD-CG1 3.84Å; M610-I614 PolarHBondContact O-N 2.97Å; C611-I614 PolarHBondContact O-N 3.1Å; K612-I614 VanDerWaalsContact C-N 3.3Å; K612-I614 PolarHBondContact O-N 3.41Å; I614-I616 VanDerWaalsContact C-N 3.29Å; I614-I616 HydrophobicContact CB-CD1 3.92Å; I614-I616 HydrophobicContact CB-CG1 4.05Å; I614-I616 HydrophobicContact CD1-CD1 4.18Å; I614-I616 HydrophobicContact CG2-CD1 3.9Å; I614-I616 HydrophobicContact CG2-CG1 4.07Å; I614-I616 PolarHBondContact O-N 3.26Å
615	H	78.1	Confident	81.4	Confident	165 Å²	165	56.8 Å²	56.8	76%	0.764	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	37.6	-175.4	-57.1	-70.6	0	0	0	113.9	C611 K612	C611-H615 PolarHBondContact O-N 2.81Å; K612-H615 PolarHBondContact O-N 3.01Å
616	I	75.1	Confident	81.4	Confident	7 Å²	7	50.4 Å²	50.4	4%	0.036	25%	0.246	C	C	.	.			trans	-99.7	135.4	173.8	-57.1	169	0	0	0	108.5	F558 V572 Q575 C611 I614 P618	F558-I616 HydrophobicContact CZ-CG2 4.11Å; V572-I616 HydrophobicContact CG2-CG2 3.9Å; Q575-I616 HydrophobicContact CB-CD1 3.35Å; Q575-I616 HydrophobicContact CB-CG1 4.29Å; Q575-I616 HydrophobicContact CG-CD1 4.02Å; C611-I616 HydrophobicContact CB-CB 4.28Å; C611-I616 PolarHBondContact O-N 2.83Å; I614-I616 VanDerWaalsContact C-N 3.29Å; I614-I616 HydrophobicContact CB-CD1 3.92Å; I614-I616 HydrophobicContact CB-CG1 4.05Å; I614-I616 HydrophobicContact CD1-CD1 4.18Å; I614-I616 HydrophobicContact CG2-CD1 3.9Å; I614-I616 HydrophobicContact CG2-CG1 4.07Å; I614-I616 PolarHBondContact O-N 3.26Å; I616-P618 WeakPolarHBondContact O-CD 3.48Å
617	P	74	Confident	81.4	Confident	55 Å²	55	50 Å²	50	36%	0.357	24%	0.244	S	C	.	.			trans	-54.9	124.2	172.4	-22.5	32.4	0	0	0	111.2	F558 D619	F558-P617 HydrophobicContact CB-CG 4.3Å; F558-P617 HydrophobicContact CD2-CG 3.87Å; F558-P617 HydrophobicContact CE2-CG 4.39Å; F558-P617 HydrophobicContact CG-CG 4.1Å; P617-D619 PolarHBondContact O-N 3.2Å
618	P	70.4	Confident	81.5	Confident	55 Å²	55	55.7 Å²	55.7	36%	0.357	27%	0.274	S	S	.	.			trans	-81	62.1	-178.2	33.4	-34.9	0	0	0	111.6	K608 C611 I616 E620	K608-P618 HydrophobicContact CB-CB 4.3Å; K608-P618 HydrophobicContact CG-CB 4.01Å; C611-P618 HydrophobicContact CB-CB 4.4Å; I616-P618 WeakPolarHBondContact O-CD 3.48Å; P618-E620 PolarHBondContact O-N 2.84Å
619	D	80.4	Confident	81.4	Confident	53 Å²	53	58.8 Å²	58.8	28%	0.283	29%	0.288	S	S	.	.			trans	-65.6	115.8	179.7	-84	17.1	0	0	0	110.4	R560 P617 D621 V622 L623	R560-D619 IonicContact CZ-OD2 3.53Å; R560-D619 IonicContact NH1-OD2 3.18Å; R560-D619 PolarHBondContact NH1-OD2 2.58Å; P617-D619 PolarHBondContact O-N 3.2Å; D619-D621 VanDerWaalsContact C-N 3.34Å; D619-D621 PolarHBondContact O-N 3.11Å; D619-V622 HydrophobicContact CB-CB 4.19Å; D619-V622 HydrophobicContact CB-CG2 3.88Å; D619-V622 PolarHBondContact O-N 3.43Å; D619-L623 WeakPolarHBondContact O-CG 3.49Å; D619-L623 PolarHBondContact O-N 3Å; D619-L623 VanDerWaalsContact O-N 3.11Å
620	E	82	Confident	81.4	Confident	92 Å²	92	57.9 Å²	57.9	43%	0.43	28%	0.28	S	S	.	.	H	α-helix	trans	-64.3	-35.4	-172.1	-83.9	-160.6	-176.6	0	0	114.1	I604 K608 P618 K624	I604-E620 HydrophobicContact CD1-CG 4.48Å; K608-E620 IonicContact NZ-OE1 3.78Å; K608-E620 PolarHBondContact NZ-OE1 2.84Å; P618-E620 PolarHBondContact O-N 2.84Å; E620-K624 WeakPolarHBondContact O-CB 3.29Å; E620-K624 WeakPolarHBondContact O-CG 3.42Å; E620-K624 PolarHBondContact O-N 2.87Å; E620-K624 IonicContact OE2-NZ 3.09Å; E620-K624 PolarHBondContact OE2-NZ 2.94Å; E620-K624 VanDerWaalsContact OE2-NZ 3.09Å
621	D	84.4	Confident	81.3	Confident	53 Å²	53	58.7 Å²	58.7	28%	0.283	29%	0.289	S	S	.	.	H	α-helix	trans	-66.4	-45.9	177.7	49.4	-9.2	0	0	0	111.3	R560 D619 L623 K624 E625	R560-D621 IonicContact CZ-OD2 3.88Å; R560-D621 VanDerWaalsContact CZ-OD2 3.32Å; R560-D621 IonicContact NH1-OD1 2.95Å; R560-D621 PolarHBondContact NH1-OD1 3.03Å; R560-D621 IonicContact NH1-OD2 3.52Å; R560-D621 PolarHBondContact NH1-OD2 3.25Å; R560-D621 IonicContact NH2-OD2 2.76Å; R560-D621 PolarHBondContact NH2-OD2 3.36Å; D619-D621 VanDerWaalsContact C-N 3.34Å; D619-D621 PolarHBondContact O-N 3.11Å; D621-L623 VanDerWaalsContact C-N 3.33Å; D621-L623 PolarHBondContact O-N 3.36Å; D621-K624 PolarHBondContact O-N 3.37Å; D621-E625 PolarHBondContact O-N 3.39Å
622	V	83	Confident	81.2	Confident	4 Å²	4	61.8 Å²	61.8	2%	0.024	31%	0.311	C	S	.	.	H	α-helix	trans	-61.5	-41.5	175.9	-178.5	0	0	0	0	111.5	V568 M569 V572 D619 L626	V568-V622 HydrophobicContact CB-CG2 4.49Å; V568-V622 HydrophobicContact CG1-CG1 4.31Å; V568-V622 HydrophobicContact CG1-CG2 3.89Å; M569-V622 HydrophobicContact CB-CG1 3.97Å; V572-V622 HydrophobicContact CB-CG1 4.39Å; V572-V622 HydrophobicContact CG2-CG1 4Å; D619-V622 HydrophobicContact CB-CB 4.19Å; D619-V622 HydrophobicContact CB-CG2 3.88Å; D619-V622 PolarHBondContact O-N 3.43Å; V622-L626 WeakPolarHBondContact O-CB 3.39Å; V622-L626 PolarHBondContact O-N 3.46Å
623	L	83.6	Confident	81.1	Confident	2 Å²	2	64.5 Å²	64.5	1%	0.01	33%	0.325	C	S	.	.	H	α-helix	trans	-72	-33.6	179.1	-66.5	179	0	0	0	113	I604 L607 K608 D619 D621 L626 L627	I604-L623 HydrophobicContact CD1-CB 4.3Å; I604-L623 HydrophobicContact CG1-CB 4Å; I604-L623 HydrophobicContact CG1-CD1 4.49Å; L607-L623 HydrophobicContact CB-CD1 4.43Å; L607-L623 HydrophobicContact CB-CD2 4.18Å; L607-L623 HydrophobicContact CD1-CD2 4.46Å; K608-L623 HydrophobicContact CB-CD1 4.48Å; K608-L623 HydrophobicContact CG-CD1 3.59Å; D619-L623 WeakPolarHBondContact O-CG 3.49Å; D619-L623 PolarHBondContact O-N 3Å; D619-L623 VanDerWaalsContact O-N 3.11Å; D621-L623 VanDerWaalsContact C-N 3.33Å; D621-L623 PolarHBondContact O-N 3.36Å; L623-L626 PolarHBondContact O-N 3.2Å; L623-L627 WeakPolarHBondContact O-CG 3.49Å; L623-L627 PolarHBondContact O-N 3.07Å
624	K	84.6	Confident	81.1	Confident	100 Å²	100	61.3 Å²	61.3	44%	0.435	32%	0.32	S	S	.	.	H	α-helix	trans	-65.2	-47.2	171.9	-77.5	169.8	-169.8	159.7	0	110.9	I604 E620 D621 L626 L627 D628	I604-K624 HydrophobicContact CD1-CD 4.4Å; I604-K624 HydrophobicContact CD1-CG 3.68Å; E620-K624 WeakPolarHBondContact O-CB 3.29Å; E620-K624 WeakPolarHBondContact O-CG 3.42Å; E620-K624 PolarHBondContact O-N 2.87Å; E620-K624 IonicContact OE2-NZ 3.09Å; E620-K624 PolarHBondContact OE2-NZ 2.94Å; E620-K624 VanDerWaalsContact OE2-NZ 3.09Å; D621-K624 PolarHBondContact O-N 3.37Å; K624-L626 PolarHBondContact O-N 3.45Å; K624-L627 PolarHBondContact O-N 3.05Å; K624-L627 VanDerWaalsContact O-N 3.11Å; K624-D628 WeakPolarHBondContact O-CB 3.26Å; K624-D628 PolarHBondContact O-N 3.34Å
625	E	83.5	Confident	81.5	Confident	83 Å²	83	63.8 Å²	63.8	39%	0.388	33%	0.329	S	S	.	.	H	α-helix	trans	-58.1	-38.7	176.4	-156.6	95	-174.3	0	0	111.5	I565 D621 D628 K629	I565-E625 HydrophobicContact CG2-CB 4.45Å; I565-E625 HydrophobicContact CG2-CG 4.2Å; D621-E625 PolarHBondContact O-N 3.39Å; E625-D628 PolarHBondContact O-N 2.78Å; E625-K629 VanDerWaalsContact O-CB 3.3Å; E625-K629 WeakPolarHBondContact O-CB 3.43Å; E625-K629 PolarHBondContact O-N 2.88Å
626	L	84.5	Confident	81.8	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-66	-44	176.2	-167.4	155.5	0	0	0	111.7	M569 V572 L576 L607 V622 L623 K624 K629 Y630 M636 F644	M569-L626 HydrophobicContact CG-CB 4.42Å; V572-L626 HydrophobicContact CG1-CD1 4.26Å; L576-L626 HydrophobicContact CD1-CD1 4.04Å; L607-L626 HydrophobicContact CD1-CD2 4.15Å; V622-L626 WeakPolarHBondContact O-CB 3.39Å; V622-L626 PolarHBondContact O-N 3.46Å; L623-L626 PolarHBondContact O-N 3.2Å; K624-L626 PolarHBondContact O-N 3.45Å; L626-K629 PolarHBondContact O-N 2.89Å; L626-Y630 HydrophobicContact CD2-CD2 4.35Å; L626-Y630 HydrophobicContact CG-CD2 4.2Å; L626-Y630 WeakPolarHBondContact O-CD2 3.4Å; L626-Y630 PolarHBondContact O-N 3.06Å; L626-M636 HydrophobicContact CD2-SD 4.38Å; L626-F644 HydrophobicContact CD1-CE2 4.1Å; L626-F644 HydrophobicContact CD1-CZ 4.07Å; L626-F644 HydrophobicContact CD2-CD2 4.42Å; L626-F644 HydrophobicContact CD2-CE2 3.85Å; L626-F644 HydrophobicContact CD2-CZ 4.17Å; L626-F644 HydrophobicContact CG-CE2 4.06Å; L626-F644 HydrophobicContact CG-CZ 4.45Å
627	L	85.7	Confident	82.3	Confident	4 Å²	4	57.7 Å²	57.7	2%	0.021	31%	0.306	C	S	.	.	H	α-helix	trans	-66.9	-35.6	176.1	-74.4	167.8	0	0	0	112.4	I604 L607 L623 K624 K629 G631 M636	I604-L627 HydrophobicContact CB-CD1 3.84Å; I604-L627 HydrophobicContact CG1-CD1 4.27Å; L607-L627 HydrophobicContact CD1-CD1 3.97Å; L607-L627 HydrophobicContact CD1-CD2 3.61Å; L607-L627 HydrophobicContact CD1-CG 3.59Å; L623-L627 WeakPolarHBondContact O-CG 3.49Å; L623-L627 PolarHBondContact O-N 3.07Å; K624-L627 PolarHBondContact O-N 3.05Å; K624-L627 VanDerWaalsContact O-N 3.11Å; L627-K629 VanDerWaalsContact C-N 3.35Å; L627-G631 CarbonylContact O-C 3.59Å; L627-G631 WeakPolarHBondContact O-CA 3.42Å; L627-G631 PolarHBondContact O-N 3.2Å; L627-M636 HydrophobicContact CD2-CG 3.77Å; L627-M636 HydrophobicContact CD2-SD 4.08Å
628	D	84.6	Confident	82.8	Confident	122 Å²	122	58.7 Å²	58.7	65%	0.652	31%	0.308	S	S	*	.	H	α-helix	trans	-70.6	-32.5	176.4	-74.8	-13.7	0	0	0	111.8	K624 E625	K624-D628 WeakPolarHBondContact O-CB 3.26Å; K624-D628 PolarHBondContact O-N 3.34Å; E625-D628 PolarHBondContact O-N 2.78Å
629	K	83.9	Confident	83.5	Confident	115 Å²	115	63 Å²	63	50%	0.5	32%	0.324	S	S	.	.	H	α-helix	trans	-81	-35.2	179.9	-168.2	169.7	-175.7	171.6	0	114.1	M569 E625 L626 L627	M569-K629 HydrophobicContact CE-CD 3.84Å; M569-K629 HydrophobicContact SD-CD 4.34Å; E625-K629 VanDerWaalsContact O-CB 3.3Å; E625-K629 WeakPolarHBondContact O-CB 3.43Å; E625-K629 PolarHBondContact O-N 2.88Å; L626-K629 PolarHBondContact O-N 2.89Å; L627-K629 VanDerWaalsContact C-N 3.35Å
630	Y	84.1	Confident	83.8	Confident	31 Å²	31	62.5 Å²	62.5	12%	0.122	32%	0.319	C	S	.	.	H	α-helix	trans	-118.7	-9.3	-173.2	-60.3	-78.8	0	0	0	114.8	M569 R573 L626 Q640 F644	M569-Y630 HydrophobicContact SD-CE2 4.42Å; R573-Y630 WeakPolarHBondContact CD-OH 3.34Å; R573-Y630 VanDerWaalsContact CZ-OH 3.3Å; R573-Y630 PolarHBondContact NE-OH 2.98Å; R573-Y630 PolarHBondContact NH1-OH 3.37Å; L626-Y630 HydrophobicContact CD2-CD2 4.35Å; L626-Y630 HydrophobicContact CG-CD2 4.2Å; L626-Y630 WeakPolarHBondContact O-CD2 3.4Å; L626-Y630 PolarHBondContact O-N 3.06Å; Y630-Q640 WeakPolarHBondContact O-CB 3.43Å; Y630-F644 AromaticContact CD1-CD2 3.95Å; Y630-F644 HydrophobicContact CD1-CD2 3.95Å; Y630-F644 AromaticContact CD2-CD2 3.63Å; Y630-F644 HydrophobicContact CD2-CD2 3.63Å; Y630-F644 AromaticContact CD2-CE2 3.83Å; Y630-F644 HydrophobicContact CD2-CE2 3.83Å; Y630-F644 HydrophobicContact CE1-CD2 4.32Å; Y630-F644 HydrophobicContact CE2-CD2 4.03Å; Y630-F644 AromaticContact CE2-CE2 3.96Å; Y630-F644 HydrophobicContact CE2-CE2 3.96Å; Y630-F644 AromaticContact CG-CD2 3.6Å; Y630-F644 HydrophobicContact CG-CD2 3.6Å; Y630-F644 HydrophobicContact CG-CE2 4.28Å
631	G	82.1	Confident	83.9	Confident	18 Å²	18	58.2 Å²	58.2	19%	0.186	30%	0.299	C	S	.	.	S	Bend	trans	-112.7	-164.6	179.1	0	0	0	0	0	113.3	L627 K635	L627-G631 CarbonylContact O-C 3.59Å; L627-G631 WeakPolarHBondContact O-CA 3.42Å; L627-G631 PolarHBondContact O-N 3.2Å; G631-K635 CarbonylContact C-O 3.59Å; G631-K635 VanDerWaalsContact CA-O 3.28Å; G631-K635 WeakPolarHBondContact CA-O 3.45Å
632	S	80.7	Confident	83.8	Confident	66 Å²	66	56.2 Å²	56.2	46%	0.462	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-143.4	135.1	172.8	50	0	0	0	0	108.8	G634 K635 Q640	S632-G634 VanDerWaalsContact C-N 3.3Å; S632-G634 PolarHBondContact O-N 2.78Å; S632-K635 PolarHBondContact N-O 3.38Å; S632-K635 PolarHBondContact O-N 2.72Å; S632-Q640 PolarHBondContact OG-NE2 2.83Å
633	E	80.9	Confident	83.8	Confident	192 Å²	192	63.4 Å²	63.4	90%	0.897	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	38.5	-178.9	-55.8	-176.3	169.6	0	0	114	K635	E633-K635 PolarHBondContact O-N 3.08Å
634	G	79.8	Confident	83.8	Confident	30 Å²	30	63.5 Å²	63.5	31%	0.309	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.5	19.2	179.9	0	0	0	0	0	114.3	S632	S632-G634 VanDerWaalsContact C-N 3.3Å; S632-G634 PolarHBondContact O-N 2.78Å
635	K	85.3	Confident	83.5	Confident	92 Å²	92	59.6 Å²	59.6	40%	0.4	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-140.1	153.9	-178.7	-64.4	175.4	-172.3	166.1	0	110.7	C601 I602 D603 G631 S632 E633	C601-K635 HydrophobicContact CB-CB 4.03Å; C601-K635 HydrophobicContact CB-CD 4.33Å; I602-K635 CarbonylContact O-C 3.57Å; I602-K635 WeakPolarHBondContact O-CA 3.36Å; D603-K635 HydrophobicContact CB-CG 4.4Å; G631-K635 CarbonylContact C-O 3.59Å; G631-K635 VanDerWaalsContact CA-O 3.28Å; G631-K635 WeakPolarHBondContact CA-O 3.45Å; S632-K635 PolarHBondContact N-O 3.38Å; S632-K635 PolarHBondContact O-N 2.72Å; E633-K635 PolarHBondContact O-N 3.08Å
636	M	84.5	Confident	83.1	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	120.6	173	-68	176	76.8	0	0	110.4	C601 I602 L626 L627 Q640 F641 F644	C601-M636 CarbonylContact C-O 3.47Å; C601-M636 VanDerWaalsContact CA-O 3.27Å; C601-M636 WeakPolarHBondContact CA-O 3.42Å; I602-M636 PolarHBondContact N-O 3.14Å; I602-M636 PolarHBondContact O-N 2.85Å; L626-M636 HydrophobicContact CD2-SD 4.38Å; L627-M636 HydrophobicContact CD2-CG 3.77Å; L627-M636 HydrophobicContact CD2-SD 4.08Å; M636-Q640 HydrophobicContact CB-CB 4.28Å; M636-Q640 HydrophobicContact CE-CB 4.46Å; M636-Q640 WeakPolarHBondContact CE-O 3.46Å; M636-F641 HydrophobicContact CE-CB 4.42Å; M636-F641 HydrophobicContact CE-CD2 4.36Å; M636-F644 HydrophobicContact CE-CB 3.51Å; M636-F644 HydrophobicContact CE-CD2 4.44Å; M636-F644 HydrophobicContact CE-CG 3.97Å
637	S	86.9	Confident	82.4	Confident	44 Å²	44	66.8 Å²	66.8	31%	0.308	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	165.4	165.9	60.4	0	0	0	0	111.3	E639 Q640 F641	S637-E639 VanDerWaalsContact C-N 3.25Å; S637-E639 PolarHBondContact O-N 3.18Å; S637-Q640 PolarHBondContact O-N 2.89Å; S637-Q640 VanDerWaalsContact O-N 3.15Å; S637-Q640 WeakPolarHBondContact OG-CG 3.47Å; S637-Q640 PolarHBondContact OG-N 3.08Å; S637-Q640 PolarHBondContact OG-OE1 3.3Å; S637-F641 WeakPolarHBondContact O-CB 3.43Å; S637-F641 PolarHBondContact O-N 3.16Å
638	L	84.3	Confident	81.1	Confident	75 Å²	75	74.6 Å²	74.6	39%	0.393	39%	0.386	S	S	.	.	H	α-helix	trans	-54.2	-41.8	176.6	177.2	65	0	0	0	112.1	F591 F641 G642	F591-L638 HydrophobicContact CB-CD1 3.59Å; F591-L638 HydrophobicContact CD1-CB 4.26Å; F591-L638 HydrophobicContact CD1-CD1 3.57Å; F591-L638 HydrophobicContact CD1-CG 4.44Å; F591-L638 HydrophobicContact CD2-CB 4.46Å; F591-L638 HydrophobicContact CD2-CD1 3.95Å; F591-L638 HydrophobicContact CE1-CB 3.97Å; F591-L638 HydrophobicContact CE1-CD1 4.18Å; F591-L638 HydrophobicContact CE2-CB 4.22Å; F591-L638 HydrophobicContact CG-CB 4.48Å; F591-L638 HydrophobicContact CG-CD1 3.43Å; F591-L638 VanDerWaalsContact CG-CD1 3.43Å; F591-L638 HydrophobicContact CZ-CB 3.96Å; L638-F641 PolarHBondContact O-N 3.25Å; L638-G642 PolarHBondContact O-N 3.27Å
639	E	84.2	Confident	80.9	Confident	147 Å²	147	72.3 Å²	72.3	69%	0.687	37%	0.373	S	S	*	.	H	α-helix	trans	-65.8	-42	177.9	-66.6	-174.2	175.7	0	0	112.5	S637 G642 R643	S637-E639 VanDerWaalsContact C-N 3.25Å; S637-E639 PolarHBondContact O-N 3.18Å; E639-G642 PolarHBondContact O-N 3.16Å; E639-R643 WeakPolarHBondContact O-CG 3.4Å; E639-R643 PolarHBondContact O-N 2.58Å
640	Q	86.3	Confident	80.8	Confident	42 Å²	42	70 Å²	70	20%	0.196	37%	0.366	C	S	.	.	H	α-helix	trans	-66.1	-40	176.2	-77.4	163.8	-27.8	0	0	111.6	Y630 S632 M636 S637 R643 F644	Y630-Q640 WeakPolarHBondContact O-CB 3.43Å; S632-Q640 PolarHBondContact OG-NE2 2.83Å; M636-Q640 HydrophobicContact CB-CB 4.28Å; M636-Q640 HydrophobicContact CE-CB 4.46Å; M636-Q640 WeakPolarHBondContact CE-O 3.46Å; S637-Q640 PolarHBondContact O-N 2.89Å; S637-Q640 VanDerWaalsContact O-N 3.15Å; S637-Q640 WeakPolarHBondContact OG-CG 3.47Å; S637-Q640 PolarHBondContact OG-N 3.08Å; S637-Q640 PolarHBondContact OG-OE1 3.3Å; Q640-R643 PolarHBondContact O-N 2.94Å; Q640-F644 PolarHBondContact O-N 3.12Å
641	F	85.2	Confident	80.6	Confident	1 Å²	1	72.2 Å²	72.2	0%	0.004	38%	0.379	C	S	.	.	H	α-helix	trans	-64.7	-43.5	175.7	-169.2	-103.7	0	0	0	111.7	I587 M590 F591 I602 M610 M636 S637 L638 F644 F645	I587-F641 HydrophobicContact CG2-CD1 3.94Å; I587-F641 HydrophobicContact CG2-CE1 4.16Å; M590-F641 HydrophobicContact CB-CE1 4.45Å; M590-F641 HydrophobicContact CE-CZ 4.21Å; M590-F641 HydrophobicContact CG-CE1 4.25Å; M590-F641 HydrophobicContact CG-CZ 4.28Å; F591-F641 HydrophobicContact CB-CD1 3.87Å; F591-F641 HydrophobicContact CB-CE1 3.99Å; F591-F641 HydrophobicContact CD2-CB 3.73Å; F591-F641 AromaticContact CD2-CD1 3.7Å; F591-F641 HydrophobicContact CD2-CD1 3.7Å; F591-F641 HydrophobicContact CD2-CD2 4.44Å; F591-F641 HydrophobicContact CD2-CE1 4.33Å; F591-F641 AromaticContact CD2-CG 3.73Å; F591-F641 HydrophobicContact CD2-CG 3.73Å; F591-F641 HydrophobicContact CE2-CB 4.09Å; F591-F641 HydrophobicContact CE2-CG 4.44Å; F591-F641 HydrophobicContact CG-CD1 4.29Å; I602-F641 HydrophobicContact CD1-CD1 4.21Å; I602-F641 HydrophobicContact CD1-CD2 3.41Å; I602-F641 VanDerWaalsContact CD1-CD2 3.41Å; I602-F641 HydrophobicContact CD1-CE1 4.08Å; I602-F641 HydrophobicContact CD1-CE2 3.25Å; I602-F641 HydrophobicContact CD1-CG 3.86Å; I602-F641 HydrophobicContact CD1-CZ 3.58Å; M610-F641 HydrophobicContact CE-CE2 4.18Å; M610-F641 HydrophobicContact CE-CZ 4.01Å; M610-F641 HydrophobicContact SD-CE2 4.11Å; M610-F641 HydrophobicContact SD-CZ 4.23Å; M636-F641 HydrophobicContact CE-CB 4.42Å; M636-F641 HydrophobicContact CE-CD2 4.36Å; S637-F641 WeakPolarHBondContact O-CB 3.43Å; S637-F641 PolarHBondContact O-N 3.16Å; L638-F641 PolarHBondContact O-N 3.25Å; F641-F644 WeakPolarHBondContact O-CB 3.48Å; F641-F644 PolarHBondContact O-N 3.4Å; F641-F645 HydrophobicContact CD1-CD2 4.22Å; F641-F645 AromaticContact CD1-CE2 4Å; F641-F645 HydrophobicContact CD1-CE2 4Å; F641-F645 HydrophobicContact CD2-CE2 4.02Å; F641-F645 HydrophobicContact CE1-CD2 4.12Å; F641-F645 AromaticContact CE1-CE2 3.58Å; F641-F645 HydrophobicContact CE1-CE2 3.58Å; F641-F645 AromaticContact CE2-CE2 3.61Å; F641-F645 HydrophobicContact CE2-CE2 3.61Å; F641-F645 HydrophobicContact CE2-CZ 4.3Å; F641-F645 HydrophobicContact CG-CE2 4.24Å; F641-F645 HydrophobicContact CZ-CD2 4.36Å; F641-F645 AromaticContact CZ-CE2 3.4Å; F641-F645 HydrophobicContact CZ-CE2 3.4Å; F641-F645 HydrophobicContact CZ-CZ 4.1Å; F641-F645 VanDerWaalsContact O-CD2 3.25Å; F641-F645 WeakPolarHBondContact O-CD2 3.28Å; F641-F645 PolarHBondContact O-N 3.16Å
642	G	81.8	Confident	80.5	Confident	11 Å²	11	75.4 Å²	75.4	11%	0.113	39%	0.391	C	S	.	.	H	α-helix	trans	-55.4	-52.4	171	0	0	0	0	0	112.2	L638 E639 F644 F645 E646	L638-G642 PolarHBondContact O-N 3.27Å; E639-G642 PolarHBondContact O-N 3.16Å; G642-F644 VanDerWaalsContact C-N 3.3Å; G642-F644 PolarHBondContact O-N 3.21Å; G642-F645 PolarHBondContact O-N 2.94Å; G642-F645 VanDerWaalsContact O-N 3.15Å; G642-E646 WeakPolarHBondContact O-CB 3.48Å; G642-E646 WeakPolarHBondContact O-CG 3.24Å; G642-E646 PolarHBondContact O-N 2.86Å
643	R	83	Confident	80.5	Confident	156 Å²	156	75.9 Å²	75.9	59%	0.589	39%	0.386	S	S	*	.	H	α-helix	trans	-59.5	-35.9	178.8	-75.1	-178.3	-178.3	172.6	5.3	113.7	E639 Q640 F645 E646 Q647	E639-R643 WeakPolarHBondContact O-CG 3.4Å; E639-R643 PolarHBondContact O-N 2.58Å; Q640-R643 PolarHBondContact O-N 2.94Å; R643-F645 VanDerWaalsContact C-N 3.29Å; R643-F645 PolarHBondContact O-N 3.23Å; R643-E646 PolarHBondContact O-N 3Å; R643-Q647 WeakPolarHBondContact O-CB 3.45Å; R643-Q647 WeakPolarHBondContact O-CG 3.39Å; R643-Q647 PolarHBondContact O-N 3.19Å
644	F	83.2	Confident	80.5	Confident	3 Å²	3	68.2 Å²	68.2	1%	0.013	35%	0.352	C	S	.	.	H	α-helix	trans	-60.3	-38.2	178	170.7	-100.4	0	0	0	112.7	R573 L576 L626 Y630 M636 Q640 F641 G642	R573-F644 HydrophobicContact CB-CE2 4.41Å; R573-F644 HydrophobicContact CB-CZ 4.35Å; R573-F644 HydrophobicContact CG-CE2 3.87Å; R573-F644 HydrophobicContact CG-CZ 3.98Å; L576-F644 HydrophobicContact CB-CE1 4.11Å; L576-F644 HydrophobicContact CB-CZ 4.33Å; L576-F644 HydrophobicContact CD1-CE1 4.24Å; L576-F644 HydrophobicContact CD1-CZ 3.99Å; L626-F644 HydrophobicContact CD1-CE2 4.1Å; L626-F644 HydrophobicContact CD1-CZ 4.07Å; L626-F644 HydrophobicContact CD2-CD2 4.42Å; L626-F644 HydrophobicContact CD2-CE2 3.85Å; L626-F644 HydrophobicContact CD2-CZ 4.17Å; L626-F644 HydrophobicContact CG-CE2 4.06Å; L626-F644 HydrophobicContact CG-CZ 4.45Å; Y630-F644 AromaticContact CD1-CD2 3.95Å; Y630-F644 HydrophobicContact CD1-CD2 3.95Å; Y630-F644 AromaticContact CD2-CD2 3.63Å; Y630-F644 HydrophobicContact CD2-CD2 3.63Å; Y630-F644 AromaticContact CD2-CE2 3.83Å; Y630-F644 HydrophobicContact CD2-CE2 3.83Å; Y630-F644 HydrophobicContact CE1-CD2 4.32Å; Y630-F644 HydrophobicContact CE2-CD2 4.03Å; Y630-F644 AromaticContact CE2-CE2 3.96Å; Y630-F644 HydrophobicContact CE2-CE2 3.96Å; Y630-F644 AromaticContact CG-CD2 3.6Å; Y630-F644 HydrophobicContact CG-CD2 3.6Å; Y630-F644 HydrophobicContact CG-CE2 4.28Å; M636-F644 HydrophobicContact CE-CB 3.51Å; M636-F644 HydrophobicContact CE-CD2 4.44Å; M636-F644 HydrophobicContact CE-CG 3.97Å; Q640-F644 PolarHBondContact O-N 3.12Å; F641-F644 WeakPolarHBondContact O-CB 3.48Å; F641-F644 PolarHBondContact O-N 3.4Å; G642-F644 VanDerWaalsContact C-N 3.3Å; G642-F644 PolarHBondContact O-N 3.21Å
645	F	80	Confident	80.5	Confident	18 Å²	18	70.9 Å²	70.9	8%	0.079	36%	0.355	C	S	.	.	H	α-helix	trans	-83.8	-30.8	176.5	-71.1	-71	0	0	0	113.6	L576 K577 S580 I587 M590 M610 F641 G642 R643	L576-F645 HydrophobicContact CB-CE1 4.36Å; L576-F645 WeakPolarHBondContact O-CE1 3.48Å; K577-F645 HydrophobicContact CG-CD1 4.28Å; S580-F645 VanDerWaalsContact CB-CD1 3.49Å; S580-F645 WeakPolarHBondContact OG-CD1 3.45Å; I587-F645 HydrophobicContact CD1-CB 3.97Å; I587-F645 HydrophobicContact CG2-CD2 4.08Å; M590-F645 HydrophobicContact CE-CE1 4.02Å; M590-F645 HydrophobicContact CE-CE2 4.02Å; M590-F645 HydrophobicContact CE-CZ 3.43Å; M590-F645 VanDerWaalsContact CE-CZ 3.43Å; M590-F645 HydrophobicContact SD-CZ 4.37Å; M610-F645 HydrophobicContact CE-CZ 4.21Å; F641-F645 HydrophobicContact CD1-CD2 4.22Å; F641-F645 AromaticContact CD1-CE2 4Å; F641-F645 HydrophobicContact CD1-CE2 4Å; F641-F645 HydrophobicContact CD2-CE2 4.02Å; F641-F645 HydrophobicContact CE1-CD2 4.12Å; F641-F645 AromaticContact CE1-CE2 3.58Å; F641-F645 HydrophobicContact CE1-CE2 3.58Å; F641-F645 AromaticContact CE2-CE2 3.61Å; F641-F645 HydrophobicContact CE2-CE2 3.61Å; F641-F645 HydrophobicContact CE2-CZ 4.3Å; F641-F645 HydrophobicContact CG-CE2 4.24Å; F641-F645 HydrophobicContact CZ-CD2 4.36Å; F641-F645 AromaticContact CZ-CE2 3.4Å; F641-F645 HydrophobicContact CZ-CE2 3.4Å; F641-F645 HydrophobicContact CZ-CZ 4.1Å; F641-F645 VanDerWaalsContact O-CD2 3.25Å; F641-F645 WeakPolarHBondContact O-CD2 3.28Å; F641-F645 PolarHBondContact O-N 3.16Å; G642-F645 PolarHBondContact O-N 2.94Å; G642-F645 VanDerWaalsContact O-N 3.15Å; R643-F645 VanDerWaalsContact C-N 3.29Å; R643-F645 PolarHBondContact O-N 3.23Å
646	E	75	Confident	80.1	Confident	144 Å²	144	69.3 Å²	69.3	67%	0.673	35%	0.352	S	S	*	.	H	α-helix	trans	-81.6	-24.7	-177.4	-71.9	178.2	172.3	0	0	114.3	I587 G642 R643	I587-E646 HydrophobicContact CD1-CG 4.19Å; G642-E646 WeakPolarHBondContact O-CB 3.48Å; G642-E646 WeakPolarHBondContact O-CG 3.24Å; G642-E646 PolarHBondContact O-N 2.86Å; R643-E646 PolarHBondContact O-N 3Å
647	Q	69	Low	79.8	Confident	91 Å²	91	75 Å²	75	43%	0.425	38%	0.381	S	S	.	.			trans	-66.4	138.3	176.6	-80.9	-176.8	-4.9	0	0	111.3	K577 R643	K577-Q647 VanDerWaalsContact CE-O 3.27Å; K577-Q647 WeakPolarHBondContact CE-O 3.45Å; K577-Q647 PolarHBondContact NZ-O 2.95Å; R643-Q647 WeakPolarHBondContact O-CB 3.45Å; R643-Q647 WeakPolarHBondContact O-CG 3.39Å; R643-Q647 PolarHBondContact O-N 3.19Å
648	P	58.6	Low	79.1	Confident	168 Å²	168	77.8 Å²	77.8	100%	1.091	39%	0.388	S	S	*	.			trans	-53.7	0	177.8	19.6	-29.4	0	0	0	113.2	R573 K577	R573-P648 PolarHBondContact NH2-O 3.26Å; K577-P648 PolarHBondContact NZ-O 2.76Å; K577-P648 VanDerWaalsContact NZ-O 3.13Å; K577-P648 PolarHBondContact NZ-OXT 2.94Å

Retrieved 648 of 648 residues in 921.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).