A0A3Q0KKY8_SCHMA Loading...

Kinase

AlphaFold DB , UniProt , Accession A0A3Q0KKY8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 405 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.7	Very low	36.9	Very low	236 Å²	236	143 Å²	143	100%	1.163	75%	0.754	S	S	*	*				0	95.3	0	-97.6	-179.9	159.4	0	0	108.1
2	I	35.7	Very low	38.7	Very low	174 Å²	174	137.2 Å²	137.2	89%	0.892	72%	0.723	S	S	*	*			trans	-119	111.1	158.9	-65.5	177.8	0	0	0	104.4
3	V	35.7	Very low	40.2	Very low	117 Å²	117	132.1 Å²	132.1	71%	0.709	69%	0.693	S	S	*	*			trans	-72.7	133.8	-179	173.1	0	0	0	0	107.8	Q5	V3-Q5 PolarHBondContact O-N 3.37Å
4	N	32.1	Very low	41.7	Very low	165 Å²	165	126.6 Å²	126.6	88%	0.882	67%	0.668	S	S	*	*			trans	-47.1	104.7	168.8	-77.7	-28	0	0	0	111.3
5	Q	32.5	Very low	43.2	Very low	177 Å²	177	125 Å²	125	83%	0.827	66%	0.66	S	S	*	*			trans	-114.6	118.6	155.9	-95.1	178	-14.4	0	0	107.6	V3 C7	V3-Q5 PolarHBondContact O-N 3.37Å; Q5-C7 PolarHBondContact O-N 3.19Å; Q5-C7 VanDerWaalsContact O-N 3.13Å
6	K	29.9	Very low	45	Very low	227 Å²	227	124.2 Å²	124.2	99%	0.987	65%	0.649	S	S	*	*			trans	-53.1	113.9	167.7	-83.9	176	168.8	179.2	0	108.1
7	C	33.8	Very low	46.5	Very low	79 Å²	79	122 Å²	122	53%	0.534	64%	0.638	S	S	.	*			trans	-102.6	136.4	178.1	-139.7	0	0	0	0	109.7	Q5 D12	Q5-C7 PolarHBondContact O-N 3.19Å; Q5-C7 VanDerWaalsContact O-N 3.13Å; C7-D12 HydrophobicContact CB-CB 3.97Å; C7-D12 VanDerWaalsContact CB-OD2 3.25Å; C7-D12 WeakPolarHBondContact CB-OD2 3.49Å; C7-D12 PolarHBondContact SG-OD1 2.97Å
8	D	35.4	Very low	48	Very low	147 Å²	147	119.4 Å²	119.4	79%	0.786	63%	0.625	S	S	*	*			trans	-59.7	129.9	179.2	-81.3	-44.5	0	0	0	112	T10	D8-T10 PolarHBondContact O-N 3.01Å
9	S	48.7	Very low	49.7	Very low	77 Å²	77	121.1 Å²	121.1	54%	0.538	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.7	27.2	-147.2	66.9	0	0	0	0	117.9
10	T	45.3	Very low	51.4	Low	53 Å²	53	115.9 Å²	115.9	33%	0.325	60%	0.596	S	S	.	*	T	Hydrogen-bonded Turn	trans	-139.8	-45.7	177	48.9	0	0	0	0	113.7	D8 D12 T14 Y307	D8-T10 PolarHBondContact O-N 3.01Å; T10-D12 VanDerWaalsContact C-N 3.3Å; T10-T14 PolarHBondContact O-N 2.65Å; T10-T14 PolarHBondContact O-OG1 3.16Å; T10-Y307 HydrophobicContact CG2-CD1 3.63Å; T10-Y307 HydrophobicContact CG2-CD2 3.05Å; T10-Y307 HydrophobicContact CG2-CE1 4.09Å; T10-Y307 HydrophobicContact CG2-CE2 3.56Å; T10-Y307 HydrophobicContact CG2-CG 3.09Å
11	N	45.9	Very low	52.9	Low	121 Å²	121	111.4 Å²	111.4	65%	0.647	57%	0.573	S	S	*	*	H	α-helix	trans	-66.9	-35	174	-84.4	-6.1	0	0	0	111.5	N15	N11-N15 VanDerWaalsContact O-CB 3.26Å; N11-N15 WeakPolarHBondContact O-CB 3.4Å; N11-N15 PolarHBondContact O-N 3.49Å; N11-N15 PolarHBondContact O-ND2 2.94Å; N11-N15 VanDerWaalsContact O-ND2 3.1Å
12	D	59.3	Low	55.3	Low	73 Å²	73	107 Å²	107	39%	0.39	55%	0.549	S	S	.	.	H	α-helix	trans	-67.2	-41.7	-178.7	-162.4	43.3	0	0	0	112.1	C7 T10 K16	C7-D12 HydrophobicContact CB-CB 3.97Å; C7-D12 VanDerWaalsContact CB-OD2 3.25Å; C7-D12 WeakPolarHBondContact CB-OD2 3.49Å; C7-D12 PolarHBondContact SG-OD1 2.97Å; T10-D12 VanDerWaalsContact C-N 3.3Å; D12-K16 WeakPolarHBondContact O-CB 3.4Å; D12-K16 PolarHBondContact O-N 3.39Å
13	E	57.5	Low	57.6	Low	71 Å²	71	101.9 Å²	101.9	33%	0.332	53%	0.529	S	S	.	.	H	α-helix	trans	-69.4	-41.8	-180	-64.6	-165.9	160.2	0	0	112.6	K16 L17 Y67	E13-K16 PolarHBondContact O-N 3Å; E13-L17 WeakPolarHBondContact O-CB 3.45Å; E13-L17 PolarHBondContact O-N 3.36Å; E13-Y67 WeakPolarHBondContact OE1-CE2 3.47Å
14	T	60.9	Low	60.3	Low	56 Å²	56	96.7 Å²	96.7	34%	0.344	50%	0.498	S	S	.	.	H	α-helix	trans	-65.8	-43.9	177.8	-54.2	0	0	0	0	110.9	T10 K16 L17 N18	T10-T14 PolarHBondContact O-N 2.65Å; T10-T14 PolarHBondContact O-OG1 3.16Å; T14-K16 VanDerWaalsContact C-N 3.35Å; T14-L17 PolarHBondContact O-N 3.48Å; T14-N18 WeakPolarHBondContact O-CB 3.27Å; T14-N18 VanDerWaalsContact O-CG 3.32Å; T14-N18 PolarHBondContact O-N 3.45Å; T14-N18 PolarHBondContact O-ND2 3.19Å
15	N	65.1	Low	63.3	Low	102 Å²	102	91.9 Å²	91.9	55%	0.545	48%	0.477	S	S	.	.	H	α-helix	trans	-64.4	-40.7	176	-72.4	-22.4	0	0	0	111.6	N11 N18 Y19	N11-N15 VanDerWaalsContact O-CB 3.26Å; N11-N15 WeakPolarHBondContact O-CB 3.4Å; N11-N15 PolarHBondContact O-N 3.49Å; N11-N15 PolarHBondContact O-ND2 2.94Å; N11-N15 VanDerWaalsContact O-ND2 3.1Å; N15-N18 PolarHBondContact O-N 3.19Å; N15-Y19 VanDerWaalsContact O-CB 3.29Å; N15-Y19 WeakPolarHBondContact O-CB 3.25Å; N15-Y19 PolarHBondContact O-N 3.29Å
16	K	71.2	Confident	66.4	Low	112 Å²	112	88.2 Å²	88.2	49%	0.487	46%	0.463	S	S	.	.	H	α-helix	trans	-62.5	-45.1	175.9	-169.7	173.2	-176.3	178.8	0	111	D12 E13 T14 Y19 L20	D12-K16 WeakPolarHBondContact O-CB 3.4Å; D12-K16 PolarHBondContact O-N 3.39Å; E13-K16 PolarHBondContact O-N 3Å; T14-K16 VanDerWaalsContact C-N 3.35Å; K16-Y19 PolarHBondContact O-N 3.42Å; K16-L20 VanDerWaalsContact O-CG 3.23Å; K16-L20 WeakPolarHBondContact O-CG 3.29Å; K16-L20 PolarHBondContact O-N 2.87Å
17	L	70.1	Confident	69.5	Low	87 Å²	87	78.6 Å²	78.6	46%	0.455	42%	0.422	S	S	.	.	H	α-helix	trans	-64.8	-44.1	178.6	-169.7	66.7	0	0	0	112.1	E13 T14 Y19 L20 F21 L112	E13-L17 WeakPolarHBondContact O-CB 3.45Å; E13-L17 PolarHBondContact O-N 3.36Å; T14-L17 PolarHBondContact O-N 3.48Å; L17-Y19 VanDerWaalsContact C-N 3.35Å; L17-Y19 PolarHBondContact O-N 3.46Å; L17-L20 WeakPolarHBondContact O-CB 3.15Å; L17-L20 PolarHBondContact O-N 3.05Å; L17-F21 HydrophobicContact CD1-CD2 4.47Å; L17-F21 HydrophobicContact CD1-CE2 4.06Å; L17-F21 HydrophobicContact CD2-CE2 4.25Å; L17-F21 HydrophobicContact CG-CD2 4.08Å; L17-F21 HydrophobicContact CG-CE2 3.83Å; L17-F21 VanDerWaalsContact O-CD2 3.27Å; L17-F21 WeakPolarHBondContact O-CD2 3.14Å; L17-F21 PolarHBondContact O-N 2.72Å; L17-L112 HydrophobicContact CD1-CD1 3.93Å
18	N	73.9	Confident	72.4	Confident	75 Å²	75	75.8 Å²	75.8	40%	0.401	40%	0.403	S	S	.	.	H	α-helix	trans	-60.5	-44.7	175.4	-72.5	-20	0	0	0	111.5	T14 N15 L20 F21 E22	T14-N18 WeakPolarHBondContact O-CB 3.27Å; T14-N18 VanDerWaalsContact O-CG 3.32Å; T14-N18 PolarHBondContact O-N 3.45Å; T14-N18 PolarHBondContact O-ND2 3.19Å; N15-N18 PolarHBondContact O-N 3.19Å; N18-L20 VanDerWaalsContact C-N 3.3Å; N18-L20 PolarHBondContact O-N 3.36Å; N18-F21 PolarHBondContact O-N 2.88Å; N18-F21 VanDerWaalsContact O-N 3.14Å; N18-E22 WeakPolarHBondContact O-CG 3.39Å; N18-E22 PolarHBondContact O-N 2.91Å
19	Y	80.8	Confident	75.2	Confident	151 Å²	151	75.1 Å²	75.1	59%	0.592	41%	0.409	S	S	*	.	H	α-helix	trans	-59.4	-40.6	175	177.2	-97.2	0	0	0	112.4	N15 K16 L17 E22 S23	N15-Y19 VanDerWaalsContact O-CB 3.29Å; N15-Y19 WeakPolarHBondContact O-CB 3.25Å; N15-Y19 PolarHBondContact O-N 3.29Å; K16-Y19 PolarHBondContact O-N 3.42Å; L17-Y19 VanDerWaalsContact C-N 3.35Å; L17-Y19 PolarHBondContact O-N 3.46Å; Y19-E22 PolarHBondContact O-N 2.75Å; Y19-S23 WeakPolarHBondContact O-CB 3.48Å; Y19-S23 PolarHBondContact O-N 3.35Å; Y19-S23 PolarHBondContact O-OG 3.37Å
20	L	83.2	Confident	77.4	Confident	17 Å²	17	74 Å²	74	9%	0.089	40%	0.397	C	S	.	.	H	α-helix	trans	-62.7	-40.4	174.8	-70.8	178.1	0	0	0	112.1	K16 L17 N18 S23 S24 L74 L103 L112	K16-L20 VanDerWaalsContact O-CG 3.23Å; K16-L20 WeakPolarHBondContact O-CG 3.29Å; K16-L20 PolarHBondContact O-N 2.87Å; L17-L20 WeakPolarHBondContact O-CB 3.15Å; L17-L20 PolarHBondContact O-N 3.05Å; N18-L20 VanDerWaalsContact C-N 3.3Å; N18-L20 PolarHBondContact O-N 3.36Å; L20-S23 PolarHBondContact O-OG 2.96Å; L20-S24 WeakPolarHBondContact O-CB 3.26Å; L20-S24 PolarHBondContact O-N 3.42Å; L20-L74 HydrophobicContact CD1-CD2 3.86Å; L20-L74 HydrophobicContact CD2-CD2 3.67Å; L20-L74 HydrophobicContact CG-CD2 4.4Å; L20-L103 HydrophobicContact CB-CD2 3.93Å; L20-L103 HydrophobicContact CD2-CD2 3.8Å; L20-L103 HydrophobicContact CG-CD2 4.42Å; L20-L103 VanDerWaalsContact O-CD2 3.28Å; L20-L103 WeakPolarHBondContact O-CD2 3.48Å; L20-L112 HydrophobicContact CB-CD1 3.77Å; L20-L112 HydrophobicContact CD1-CD1 4.42Å
21	F	82.6	Confident	79.8	Confident	23 Å²	23	73.8 Å²	73.8	10%	0.101	39%	0.394	C	S	.	.	H	α-helix	trans	-66.6	-40.6	173.7	-83.1	-72.7	0	0	0	113.1	L17 N18 S24 R105 Q109 L112	L17-F21 HydrophobicContact CD1-CD2 4.47Å; L17-F21 HydrophobicContact CD1-CE2 4.06Å; L17-F21 HydrophobicContact CD2-CE2 4.25Å; L17-F21 HydrophobicContact CG-CD2 4.08Å; L17-F21 HydrophobicContact CG-CE2 3.83Å; L17-F21 VanDerWaalsContact O-CD2 3.27Å; L17-F21 WeakPolarHBondContact O-CD2 3.14Å; L17-F21 PolarHBondContact O-N 2.72Å; N18-F21 PolarHBondContact O-N 2.88Å; N18-F21 VanDerWaalsContact O-N 3.14Å; F21-S24 PolarHBondContact O-OG 3.1Å; F21-R105 HydrophobicContact CD1-CB 4.01Å; F21-R105 HydrophobicContact CE1-CB 4.28Å; F21-R105 PolarHBondContact O-NH1 3.46Å; F21-Q109 HydrophobicContact CD1-CB 4.15Å; F21-Q109 HydrophobicContact CE1-CB 4.33Å; F21-Q109 WeakPolarHBondContact CE1-O 3.5Å; F21-Q109 WeakPolarHBondContact CZ-O 3.3Å; F21-L112 HydrophobicContact CD1-CD2 3.53Å; F21-L112 HydrophobicContact CD1-CG 3.97Å; F21-L112 HydrophobicContact CD2-CD1 4.32Å; F21-L112 HydrophobicContact CD2-CG 4.41Å; F21-L112 HydrophobicContact CE1-CD2 3.68Å; F21-L112 HydrophobicContact CE1-CG 3.66Å; F21-L112 HydrophobicContact CE2-CD1 4.19Å; F21-L112 HydrophobicContact CE2-CG 4.13Å; F21-L112 HydrophobicContact CG-CD2 3.99Å; F21-L112 HydrophobicContact CG-CG 4.34Å; F21-L112 HydrophobicContact CZ-CD1 4.3Å; F21-L112 HydrophobicContact CZ-CD2 4.26Å; F21-L112 HydrophobicContact CZ-CG 3.75Å
22	E	81.5	Confident	82.1	Confident	143 Å²	143	71.5 Å²	71.5	67%	0.668	38%	0.381	S	S	*	.	H	α-helix	trans	-69.4	-35.9	-179.8	-72.5	-179.3	177.2	0	0	112.1	N18 Y19	N18-E22 WeakPolarHBondContact O-CG 3.39Å; N18-E22 PolarHBondContact O-N 2.91Å; Y19-E22 PolarHBondContact O-N 2.75Å
23	S	85.2	Confident	83.7	Confident	66 Å²	66	72.5 Å²	72.5	46%	0.462	39%	0.386	S	S	.	.	H	α-helix	trans	-83.3	-11.9	-179.6	57.8	0	0	0	0	114.4	Y19 L20	Y19-S23 WeakPolarHBondContact O-CB 3.48Å; Y19-S23 PolarHBondContact O-N 3.35Å; Y19-S23 PolarHBondContact O-OG 3.37Å; L20-S23 PolarHBondContact O-OG 2.96Å
24	S	91.9	Very high	85.5	Confident	8 Å²	8	70.4 Å²	70.4	6%	0.056	38%	0.376	C	S	.	.	S	Bend	trans	-77.2	159.5	-178	72.9	0	0	0	0	112.9	L20 F21 L103 R105	L20-S24 WeakPolarHBondContact O-CB 3.26Å; L20-S24 PolarHBondContact O-N 3.42Å; F21-S24 PolarHBondContact O-OG 3.1Å; S24-L103 CarbonylContact C-O 3.49Å; S24-L103 VanDerWaalsContact CA-O 3.3Å; S24-L103 WeakPolarHBondContact CA-O 3.26Å; S24-L103 WeakPolarHBondContact CB-O 3.39Å; S24-R105 PolarHBondContact O-NH1 2.92Å; S24-R105 VanDerWaalsContact OG-CB 3.32Å; S24-R105 WeakPolarHBondContact OG-CB 3.13Å; S24-R105 WeakPolarHBondContact OG-CD 3.44Å; S24-R105 WeakPolarHBondContact OG-CG 3.28Å; S24-R105 PolarHBondContact OG-NH1 3.23Å
25	S	95.5	Very high	86.9	Confident	65 Å²	65	71.4 Å²	71.4	46%	0.455	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	158	167.7	-69.2	0	0	0	0	110.9	L103 Y104 R105	S25-L103 PolarHBondContact N-O 3Å; S25-Y104 CarbonylContact O-C 2.94Å; S25-Y104 WeakPolarHBondContact O-CA 3.49Å; S25-R105 PolarHBondContact O-N 3.26Å
26	L	96	Very high	88.3	Confident	100 Å²	100	67.9 Å²	67.9	52%	0.524	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	139.3	168.5	-169	69.6	0	0	0	109.2
27	L	96	Very high	89.3	Confident	24 Å²	24	64.1 Å²	64.1	13%	0.126	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-53.9	144.4	167.5	-84.1	179.4	0	0	0	111.3	L31 L52 Y61 Y104 R105 D106 Y113	L27-L31 HydrophobicContact CB-CD1 3.84Å; L27-L31 HydrophobicContact CD1-CD1 3.88Å; L27-L31 HydrophobicContact CD2-CD1 4.02Å; L27-L31 HydrophobicContact CG-CD1 4.13Å; L27-L52 HydrophobicContact CD1-CD1 4.06Å; L27-Y61 HydrophobicContact CD2-CD1 3.39Å; L27-Y61 HydrophobicContact CD2-CD2 4.1Å; L27-Y61 HydrophobicContact CD2-CE1 3.98Å; L27-Y61 HydrophobicContact CD2-CG 3.46Å; L27-Y61 VanDerWaalsContact CD2-CG 3.46Å; L27-Y104 HydrophobicContact CD2-CG 4.39Å; L27-R105 WeakPolarHBondContact CG-O 3.42Å; L27-R105 PolarHBondContact N-O 3.46Å; L27-D106 HydrophobicContact CD1-CB 4.44Å; L27-Y113 HydrophobicContact CD1-CD2 3.64Å; L27-Y113 HydrophobicContact CD1-CE1 4.39Å; L27-Y113 HydrophobicContact CD1-CE2 3.49Å; L27-Y113 VanDerWaalsContact CD1-CE2 3.49Å; L27-Y113 HydrophobicContact CD1-CG 4.2Å; L27-Y113 HydrophobicContact CD2-CD2 4.28Å; L27-Y113 HydrophobicContact CD2-CG 4.23Å; L27-Y113 HydrophobicContact CG-CD2 4.11Å; L27-Y113 HydrophobicContact CG-CE2 4.42Å
28	P	95.5	Very high	90.3	Very high	21 Å²	21	60.6 Å²	60.6	14%	0.136	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-70.7	165.6	176.2	34.6	-38.6	0	0	0	111.4	D30 L31 Y61	P28-D30 WeakPolarHBondContact CB-OD1 3.27Å; P28-L31 HydrophobicContact CG-CD1 4.48Å; P28-L31 HydrophobicContact CG-CD2 3.69Å; P28-L31 HydrophobicContact CG-CG 4.02Å; P28-L31 WeakPolarHBondContact O-CD1 3.26Å; P28-L31 WeakPolarHBondContact O-CG 3.49Å; P28-Y61 HydrophobicContact CG-CE2 3.8Å; P28-Y61 WeakPolarHBondContact CG-OH 3.4Å
29	S	93.8	Very high	90.8	Very high	132 Å²	132	57.5 Å²	57.5	92%	0.923	32%	0.316	S	S	*	.	S	Bend	trans	-85.9	-15	-175.7	52.7	0	0	0	0	114.5	L31	S29-L31 VanDerWaalsContact C-N 3.3Å; S29-L31 PolarHBondContact O-N 3.34Å
30	D	94.9	Very high	90.6	Very high	54 Å²	54	52.2 Å²	52.2	29%	0.289	31%	0.307	S	S	.	.	S	Bend	trans	-91.1	25.5	-174.1	67.5	-53.3	0	0	0	114	P28 S54 V56	P28-D30 WeakPolarHBondContact CB-OD1 3.27Å; D30-S54 VanDerWaalsContact CG-OG 3.25Å; D30-S54 PolarHBondContact OD1-OG 3.16Å; D30-S54 VanDerWaalsContact OD1-OG 3.1Å; D30-S54 WeakPolarHBondContact OD2-CB 3.16Å; D30-S54 PolarHBondContact OD2-OG 2.5Å; D30-V56 WeakPolarHBondContact OD2-CB 3.24Å; D30-V56 WeakPolarHBondContact OD2-CG2 3.47Å; D30-V56 PolarHBondContact OD2-N 2.99Å
31	L	95.2	Very high	89.6	Confident	48 Å²	48	54.4 Å²	54.4	25%	0.251	32%	0.317	S	S	.	.			trans	-74.8	134.4	-170.6	-67	174.2	0	0	0	113.6	L27 P28 S29 L52 Y53 Y61	L27-L31 HydrophobicContact CB-CD1 3.84Å; L27-L31 HydrophobicContact CD1-CD1 3.88Å; L27-L31 HydrophobicContact CD2-CD1 4.02Å; L27-L31 HydrophobicContact CG-CD1 4.13Å; P28-L31 HydrophobicContact CG-CD1 4.48Å; P28-L31 HydrophobicContact CG-CD2 3.69Å; P28-L31 HydrophobicContact CG-CG 4.02Å; P28-L31 WeakPolarHBondContact O-CD1 3.26Å; P28-L31 WeakPolarHBondContact O-CG 3.49Å; S29-L31 VanDerWaalsContact C-N 3.3Å; S29-L31 PolarHBondContact O-N 3.34Å; L31-L52 HydrophobicContact CB-CB 4.49Å; L31-L52 HydrophobicContact CD1-CB 4.38Å; L31-L52 HydrophobicContact CD1-CD1 3.91Å; L31-L52 HydrophobicContact CD2-CB 4.12Å; L31-Y53 WeakPolarHBondContact CA-O 3.27Å; L31-Y61 HydrophobicContact CD2-CD2 3.43Å; L31-Y61 VanDerWaalsContact CD2-CD2 3.43Å; L31-Y61 HydrophobicContact CD2-CE2 3.44Å; L31-Y61 VanDerWaalsContact CD2-CE2 3.44Å; L31-Y61 HydrophobicContact CD2-CG 4.49Å
32	I	94.2	Very high	88.4	Confident	74 Å²	74	53.6 Å²	53.6	38%	0.379	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	170.5	167.6	65.8	163.1	0	0	0	110.9	L52 Y53 H55	I32-L52 CarbonylContact O-C 3.53Å; I32-L52 WeakPolarHBondContact O-CA 3.43Å; I32-Y53 HydrophobicContact CD1-CD1 4.17Å; I32-Y53 HydrophobicContact CG1-CD1 4.07Å; I32-Y53 PolarHBondContact N-O 3.06Å; I32-Y53 PolarHBondContact O-N 2.77Å; I32-H55 WeakPolarHBondContact CD1-NE2 3.44Å
33	N	93.1	Very high	87.3	Confident	93 Å²	93	51.2 Å²	51.2	50%	0.497	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	134.8	167.4	-67.7	-40.6	0	0	0	109.7	P35	N33-P35 WeakPolarHBondContact O-CD 3.3Å
34	Y	94.3	Very high	85.9	Confident	27 Å²	27	51 Å²	51	11%	0.106	30%	0.299	C	S	.	.			trans	-66.9	117.3	179.1	-174.7	-123.6	0	0	0	111.2	N36 Q37 I51 Y53 I60 D118 L120	Y34-N36 HydrophobicContact CD1-CB 4.37Å; Y34-N36 HydrophobicContact CE1-CB 3.72Å; Y34-N36 HydrophobicContact CE2-CB 4.36Å; Y34-N36 PolarHBondContact O-N 3.33Å; Y34-Q37 HydrophobicContact CD1-CB 4.1Å; Y34-I51 WeakPolarHBondContact CB-O 3.08Å; Y34-I51 HydrophobicContact CD1-CG2 4.34Å; Y34-I51 HydrophobicContact CG-CG2 4.26Å; Y34-I51 PolarHBondContact N-O 2.87Å; Y34-Y53 HydrophobicContact CD2-CD1 4.39Å; Y34-Y53 AromaticContact CD2-CD2 3.99Å; Y34-Y53 HydrophobicContact CD2-CD2 3.99Å; Y34-Y53 AromaticContact CD2-CG 3.82Å; Y34-Y53 HydrophobicContact CD2-CG 3.82Å; Y34-Y53 HydrophobicContact CE2-CD2 4.24Å; Y34-Y53 HydrophobicContact CE2-CG 4.44Å; Y34-I60 HydrophobicContact CD1-CG2 4.3Å; Y34-I60 HydrophobicContact CD2-CG2 3.53Å; Y34-I60 HydrophobicContact CE1-CG2 4.27Å; Y34-I60 HydrophobicContact CE2-CG2 3.47Å; Y34-I60 VanDerWaalsContact CE2-CG2 3.47Å; Y34-I60 HydrophobicContact CG-CG2 3.95Å; Y34-D118 PolarHBondContact OH-OD1 3.18Å; Y34-L120 WeakPolarHBondContact OH-CD1 3.33Å
35	P	91.5	Very high	84	Confident	78 Å²	78	53.8 Å²	53.8	51%	0.506	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-10.6	-171.1	29.8	-36.7	0	0	0	114.3	N33 K168	N33-P35 WeakPolarHBondContact O-CD 3.3Å; P35-K168 PolarHBondContact O-NZ 2.97Å
36	N	93.4	Very high	81.8	Confident	27 Å²	27	52.7 Å²	52.7	14%	0.144	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	17.3	-174.5	-68.7	-37	0	0	0	113	Y34 I38 L120 L128 K168	Y34-N36 HydrophobicContact CD1-CB 4.37Å; Y34-N36 HydrophobicContact CE1-CB 3.72Å; Y34-N36 HydrophobicContact CE2-CB 4.36Å; Y34-N36 PolarHBondContact O-N 3.33Å; N36-I38 PolarHBondContact O-N 2.95Å; N36-L120 HydrophobicContact CB-CD1 3.65Å; N36-L128 HydrophobicContact CB-CD1 3.85Å; N36-K168 PolarHBondContact OD1-NZ 3.2Å
37	Q	92.3	Very high	79.8	Confident	33 Å²	33	53.9 Å²	53.9	15%	0.154	32%	0.316	C	S	.	.			trans	-72.6	108.7	168.5	-174.5	173.8	2.6	0	0	109.7	Y34 G39 L43 I51	Y34-Q37 HydrophobicContact CD1-CB 4.1Å; Q37-G39 WeakPolarHBondContact CG-O 3.45Å; Q37-G39 PolarHBondContact NE2-O 3.46Å; Q37-L43 HydrophobicContact CG-CD1 4.27Å; Q37-L43 HydrophobicContact CG-CG 4.35Å; Q37-I51 HydrophobicContact CG-CD1 4.14Å; Q37-I51 VanDerWaalsContact OE1-N 3.08Å
38	I	91.8	Very high	77.8	Confident	13 Å²	13	61.8 Å²	61.8	7%	0.067	35%	0.35	C	S	.	.			trans	-109	-11.4	-179.3	57.3	155.5	0	0	0	114	N36 L128 D130 G166 K168 L241	N36-I38 PolarHBondContact O-N 2.95Å; I38-L128 HydrophobicContact CD1-CB 3.52Å; I38-L128 HydrophobicContact CG1-CB 4.28Å; I38-L128 HydrophobicContact CG2-CB 4.46Å; I38-L128 HydrophobicContact CG2-CD1 4Å; I38-D130 HydrophobicContact CD1-CB 3.92Å; I38-D130 HydrophobicContact CG1-CB 4.28Å; I38-G166 WeakPolarHBondContact O-CA 3.34Å; I38-K168 HydrophobicContact CG2-CB 3.6Å; I38-K168 HydrophobicContact CG2-CD 3.86Å; I38-K168 HydrophobicContact CG2-CG 4.37Å; I38-L241 HydrophobicContact CD1-CD1 4.47Å
39	G	84	Confident	76.3	Confident	11 Å²	11	63.2 Å²	63.2	11%	0.113	36%	0.359	C	S	.	.	S	Bend	trans	-138.5	174.3	-179.5	0	0	0	0	0	112.9	Q37	Q37-G39 WeakPolarHBondContact CG-O 3.45Å; Q37-G39 PolarHBondContact NE2-O 3.46Å
40	G	75.9	Confident	75.8	Confident	39 Å²	39	60.3 Å²	60.3	40%	0.402	33%	0.33	S	S	.	.	S	Bend	trans	97.8	165.8	175.4	0	0	0	0	0	115.1	G42 L43	G40-G42 VanDerWaalsContact C-N 3.26Å; G40-G42 PolarHBondContact O-N 2.85Å; G40-L43 PolarHBondContact O-N 2.9Å
41	H	62.3	Low	75.7	Confident	64 Å²	64	58.8 Å²	58.8	30%	0.296	32%	0.322	S	S	.	.	H	α-helix	trans	-64.6	-27.5	-170	-68.1	69.6	0	0	0	113.4	L43 L44 F45 E298	H41-L43 PolarHBondContact O-N 2.79Å; H41-L44 PolarHBondContact O-N 3.24Å; H41-F45 HydrophobicContact CB-CD2 4.35Å; H41-F45 VanDerWaalsContact O-CD2 3.32Å; H41-F45 WeakPolarHBondContact O-CD2 3.36Å; H41-F45 PolarHBondContact O-N 3.39Å; H41-E298 IonicContact NE2-OE2 2.67Å
42	G	57.6	Low	75.7	Confident	5 Å²	5	58.1 Å²	58.1	5%	0.052	32%	0.318	C	S	.	.	H	α-helix	trans	-64.7	-19.8	-179.7	0	0	0	0	0	114.8	G40 G46	G40-G42 VanDerWaalsContact C-N 3.26Å; G40-G42 PolarHBondContact O-N 2.85Å; G42-G46 VanDerWaalsContact O-O 3.13Å
43	L	58.7	Low	75.8	Confident	94 Å²	94	55.2 Å²	55.2	49%	0.492	30%	0.303	S	S	.	.	H	α-helix	trans	-80.5	-31.2	177.2	-68.8	171.5	0	0	0	112.4	Q37 G40 H41	Q37-L43 HydrophobicContact CG-CD1 4.27Å; Q37-L43 HydrophobicContact CG-CG 4.35Å; G40-L43 PolarHBondContact O-N 2.9Å; H41-L43 PolarHBondContact O-N 2.79Å
44	L	56.1	Low	76	Confident	60 Å²	60	50.8 Å²	50.8	31%	0.314	28%	0.279	S	S	.	.	H	α-helix	trans	-85.8	-32.9	-177.4	-66.6	166.8	0	0	0	112.9	H41 I182 F183 E291	H41-L44 PolarHBondContact O-N 3.24Å; L44-I182 HydrophobicContact CD1-CG2 4.27Å; L44-I182 HydrophobicContact CD2-CG2 4.01Å; L44-F183 HydrophobicContact CD2-CE2 4.14Å; L44-F183 HydrophobicContact CD2-CZ 4.24Å; L44-E291 HydrophobicContact CD1-CG 3.94Å; L44-E291 WeakPolarHBondContact CD1-OE1 3.21Å
45	F	52.1	Low	75.9	Confident	68 Å²	68	55 Å²	55	30%	0.298	30%	0.299	S	S	.	.	S	Bend	trans	-111	22.6	-169.5	-57.3	-67.4	0	0	0	114.4	H41 E291 S295	H41-F45 HydrophobicContact CB-CD2 4.35Å; H41-F45 VanDerWaalsContact O-CD2 3.32Å; H41-F45 WeakPolarHBondContact O-CD2 3.36Å; H41-F45 PolarHBondContact O-N 3.39Å; F45-E291 HydrophobicContact CZ-CG 4.01Å; F45-S295 VanDerWaalsContact CE1-CB 3.43Å; F45-S295 WeakPolarHBondContact CE1-OG 3.25Å; F45-S295 WeakPolarHBondContact CZ-OG 3.41Å
46	G	50.2	Low	76.1	Confident	41 Å²	41	57 Å²	57	42%	0.423	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	69.2	-168	179.3	0	0	0	0	0	113.7	G42 K48	G42-G46 VanDerWaalsContact O-O 3.13Å; G46-K48 PolarHBondContact O-N 2.93Å
47	N	52.6	Low	76.2	Confident	126 Å²	126	59.8 Å²	59.8	67%	0.674	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-50.9	-6.2	-165.6	-78.7	-12.5	0	0	0	118	C49 K50	N47-C49 VanDerWaalsContact C-N 3.29Å; N47-C49 PolarHBondContact O-N 2.86Å; N47-K50 VanDerWaalsContact OD1-CE 3.23Å; N47-K50 WeakPolarHBondContact OD1-CE 3.39Å; N47-K50 PolarHBondContact OD1-NZ 3.3Å
48	K	54.9	Low	76.3	Confident	190 Å²	190	60.5 Å²	60.5	83%	0.826	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-71	-12.3	-170.2	-70.2	-173.1	175.5	-177.3	0	115.4	G46	G46-K48 PolarHBondContact O-N 2.93Å
49	C	63	Low	76.6	Confident	50 Å²	50	60.2 Å²	60.2	34%	0.338	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-146.4	35.8	179.7	-56.1	0	0	0	0	114.1	N47	N47-C49 VanDerWaalsContact C-N 3.29Å; N47-C49 PolarHBondContact O-N 2.86Å
50	K	83.8	Confident	77.3	Confident	71 Å²	71	60.8 Å²	60.8	31%	0.309	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-68.8	134.3	175.2	-73.3	-177.8	171.7	172.9	0	110.3	N47 P63	N47-K50 VanDerWaalsContact OD1-CE 3.23Å; N47-K50 WeakPolarHBondContact OD1-CE 3.39Å; N47-K50 PolarHBondContact OD1-NZ 3.3Å; K50-P63 WeakPolarHBondContact O-CG 3.44Å
51	I	92.5	Very high	78.3	Confident	23 Å²	23	58.9 Å²	58.9	12%	0.118	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-72	129.6	172.5	-63.2	175.1	0	0	0	107.8	Y34 Q37 I60 K62	Y34-I51 WeakPolarHBondContact CB-O 3.08Å; Y34-I51 HydrophobicContact CD1-CG2 4.34Å; Y34-I51 HydrophobicContact CG-CG2 4.26Å; Y34-I51 PolarHBondContact N-O 2.87Å; Q37-I51 HydrophobicContact CG-CD1 4.14Å; Q37-I51 VanDerWaalsContact OE1-N 3.08Å; I51-I60 HydrophobicContact CG2-CB 3.69Å; I51-I60 HydrophobicContact CG2-CD1 4.13Å; I51-I60 HydrophobicContact CG2-CG1 4.35Å; I51-I60 HydrophobicContact CG2-CG2 4.27Å; I51-K62 HydrophobicContact CG1-CG 4.47Å
52	L	94.8	Very high	79.8	Confident	34 Å²	34	57.2 Å²	57.2	18%	0.178	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	159.5	174.9	-50.1	176.2	0	0	0	109.7	L27 L31 I32 I60 Y61 Y113	L27-L52 HydrophobicContact CD1-CD1 4.06Å; L31-L52 HydrophobicContact CB-CB 4.49Å; L31-L52 HydrophobicContact CD1-CB 4.38Å; L31-L52 HydrophobicContact CD1-CD1 3.91Å; L31-L52 HydrophobicContact CD2-CB 4.12Å; I32-L52 CarbonylContact O-C 3.53Å; I32-L52 WeakPolarHBondContact O-CA 3.43Å; L52-I60 CarbonylContact O-C 3.53Å; L52-I60 VanDerWaalsContact O-CA 3.31Å; L52-I60 WeakPolarHBondContact O-CA 3.45Å; L52-Y61 HydrophobicContact CB-CD2 4.47Å; L52-Y61 PolarHBondContact N-O 3.01Å; L52-Y61 PolarHBondContact O-N 3.3Å; L52-Y113 HydrophobicContact CD1-CD1 4.35Å; L52-Y113 HydrophobicContact CD1-CE1 3.64Å; L52-Y113 HydrophobicContact CG-CE1 4.17Å
53	Y	96.6	Very high	81.5	Confident	13 Å²	13	58.1 Å²	58.1	5%	0.051	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	136.6	-176.6	175.1	-118.9	0	0	0	111.9	L31 I32 Y34 H55 T59 I60 D118	L31-Y53 WeakPolarHBondContact CA-O 3.27Å; I32-Y53 HydrophobicContact CD1-CD1 4.17Å; I32-Y53 HydrophobicContact CG1-CD1 4.07Å; I32-Y53 PolarHBondContact N-O 3.06Å; I32-Y53 PolarHBondContact O-N 2.77Å; Y34-Y53 HydrophobicContact CD2-CD1 4.39Å; Y34-Y53 AromaticContact CD2-CD2 3.99Å; Y34-Y53 HydrophobicContact CD2-CD2 3.99Å; Y34-Y53 AromaticContact CD2-CG 3.82Å; Y34-Y53 HydrophobicContact CD2-CG 3.82Å; Y34-Y53 HydrophobicContact CE2-CD2 4.24Å; Y34-Y53 HydrophobicContact CE2-CG 4.44Å; Y53-H55 HydrophobicContact CE1-CB 4.38Å; Y53-H55 AromaticContact CE1-CD2 3.8Å; Y53-H55 AromaticContact CE1-CE1 3.5Å; Y53-H55 VanDerWaalsContact CE1-CE1 3.5Å; Y53-H55 WeakPolarHBondContact CE1-CE1 3.35Å; Y53-H55 AromaticContact CE1-CG 3.6Å; Y53-H55 AromaticContact CE1-ND1 3.4Å; Y53-H55 WeakPolarHBondContact CE1-ND1 3.43Å; Y53-H55 AromaticContact CE1-NE2 3.74Å; Y53-T59 VanDerWaalsContact CD2-O 3.27Å; Y53-T59 WeakPolarHBondContact CD2-O 3.23Å; Y53-I60 HydrophobicContact CD2-CG2 3.82Å; Y53-D118 HydrophobicContact CD2-CB 4.4Å; Y53-D118 HydrophobicContact CE2-CB 3.73Å; Y53-D118 VanDerWaalsContact CE2-OD2 3.22Å; Y53-D118 WeakPolarHBondContact CE2-OD2 3.32Å; Y53-D118 PolarHBondContact OH-OD2 3.42Å
54	S	97.1	Very high	83	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	118.7	169.1	167.8	0	0	0	0	109.3	D30 V56 Q57 S58 T59	D30-S54 VanDerWaalsContact CG-OG 3.25Å; D30-S54 PolarHBondContact OD1-OG 3.16Å; D30-S54 VanDerWaalsContact OD1-OG 3.1Å; D30-S54 WeakPolarHBondContact OD2-CB 3.16Å; D30-S54 PolarHBondContact OD2-OG 2.5Å; S54-V56 VanDerWaalsContact C-N 3.31Å; S54-V56 PolarHBondContact OG-N 2.7Å; S54-Q57 PolarHBondContact OG-N 3.19Å; S54-S58 WeakPolarHBondContact O-CA 3.35Å; S54-S58 PolarHBondContact O-N 3.12Å; S54-T59 PolarHBondContact N-O 3.19Å; S54-T59 PolarHBondContact O-N 3.13Å
55	H	93.2	Very high	84.5	Confident	114 Å²	114	54.2 Å²	54.2	53%	0.528	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-38.9	172.3	-77.3	-83.9	0	0	0	111.1	I32 Y53 Q57 S58	I32-H55 WeakPolarHBondContact CD1-NE2 3.44Å; Y53-H55 HydrophobicContact CE1-CB 4.38Å; Y53-H55 AromaticContact CE1-CD2 3.8Å; Y53-H55 AromaticContact CE1-CE1 3.5Å; Y53-H55 VanDerWaalsContact CE1-CE1 3.5Å; Y53-H55 WeakPolarHBondContact CE1-CE1 3.35Å; Y53-H55 AromaticContact CE1-CG 3.6Å; Y53-H55 AromaticContact CE1-ND1 3.4Å; Y53-H55 WeakPolarHBondContact CE1-ND1 3.43Å; Y53-H55 AromaticContact CE1-NE2 3.74Å; H55-Q57 VanDerWaalsContact C-N 3.34Å; H55-Q57 PolarHBondContact O-N 2.95Å; H55-S58 PolarHBondContact O-N 3.39Å
56	V	94.5	Very high	85.9	Confident	122 Å²	122	59.1 Å²	59.1	74%	0.739	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-42.7	-177.9	177.8	0	0	0	0	110.6	D30 S54	D30-V56 WeakPolarHBondContact OD2-CB 3.24Å; D30-V56 WeakPolarHBondContact OD2-CG2 3.47Å; D30-V56 PolarHBondContact OD2-N 2.99Å; S54-V56 VanDerWaalsContact C-N 3.31Å; S54-V56 PolarHBondContact OG-N 2.7Å
57	Q	95.2	Very high	87.5	Confident	85 Å²	85	62.8 Å²	62.8	40%	0.397	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-4.7	-178.7	-58.6	-171.4	14.2	0	0	113.5	S54 H55 T59 Y61	S54-Q57 PolarHBondContact OG-N 3.19Å; H55-Q57 VanDerWaalsContact C-N 3.34Å; H55-Q57 PolarHBondContact O-N 2.95Å; Q57-T59 PolarHBondContact O-N 3.47Å; Q57-T59 VanDerWaalsContact O-N 3.16Å; Q57-T59 PolarHBondContact O-OG1 3.37Å; Q57-Y61 PolarHBondContact OE1-OH 2.82Å
58	S	96.4	Very high	89.1	Confident	47 Å²	47	59 Å²	59	33%	0.329	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.7	43.3	-171.2	-59.2	0	0	0	0	112.4	S54 H55 D118	S54-S58 WeakPolarHBondContact O-CA 3.35Å; S54-S58 PolarHBondContact O-N 3.12Å; H55-S58 PolarHBondContact O-N 3.39Å; S58-D118 WeakPolarHBondContact O-CB 3.38Å; S58-D118 PolarHBondContact O-N 2.98Å
59	T	98	Very high	90.7	Very high	8 Å²	8	52 Å²	52	5%	0.049	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	131.8	-169.5	-64.7	0	0	0	0	109.9	Y53 S54 Q57 Y61 C101 L116	Y53-T59 VanDerWaalsContact CD2-O 3.27Å; Y53-T59 WeakPolarHBondContact CD2-O 3.23Å; S54-T59 PolarHBondContact N-O 3.19Å; S54-T59 PolarHBondContact O-N 3.13Å; Q57-T59 PolarHBondContact O-N 3.47Å; Q57-T59 VanDerWaalsContact O-N 3.16Å; Q57-T59 PolarHBondContact O-OG1 3.37Å; T59-Y61 HydrophobicContact CG2-CD1 4.46Å; T59-Y61 HydrophobicContact CG2-CE1 3.88Å; T59-Y61 HydrophobicContact CG2-CE2 4.19Å; T59-Y61 WeakPolarHBondContact O-CE2 3.33Å; T59-C101 HydrophobicContact CG2-CB 4.1Å; T59-L116 CarbonylContact C-O 3.5Å; T59-L116 WeakPolarHBondContact CA-O 3.36Å; T59-L116 WeakPolarHBondContact CG2-O 3.49Å
60	I	97.3	Very high	91.9	Very high	22 Å²	22	49.6 Å²	49.6	11%	0.113	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	147.5	168.8	67.3	167.5	0	0	0	110.2	Y34 I51 L52 Y53 G115 L116 D118	Y34-I60 HydrophobicContact CD1-CG2 4.3Å; Y34-I60 HydrophobicContact CD2-CG2 3.53Å; Y34-I60 HydrophobicContact CE1-CG2 4.27Å; Y34-I60 HydrophobicContact CE2-CG2 3.47Å; Y34-I60 VanDerWaalsContact CE2-CG2 3.47Å; Y34-I60 HydrophobicContact CG-CG2 3.95Å; I51-I60 HydrophobicContact CG2-CB 3.69Å; I51-I60 HydrophobicContact CG2-CD1 4.13Å; I51-I60 HydrophobicContact CG2-CG1 4.35Å; I51-I60 HydrophobicContact CG2-CG2 4.27Å; L52-I60 CarbonylContact O-C 3.53Å; L52-I60 VanDerWaalsContact O-CA 3.31Å; L52-I60 WeakPolarHBondContact O-CA 3.45Å; Y53-I60 HydrophobicContact CD2-CG2 3.82Å; I60-G115 WeakPolarHBondContact O-CA 3.31Å; I60-L116 HydrophobicContact CD1-CB 4.31Å; I60-L116 HydrophobicContact CG1-CB 3.83Å; I60-L116 WeakPolarHBondContact CG1-O 3.27Å; I60-L116 PolarHBondContact N-O 2.7Å; I60-L116 PolarHBondContact O-N 3.44Å; I60-D118 HydrophobicContact CG2-CB 4.1Å
61	Y	96.5	Very high	92.2	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	99.7	175.9	-54.8	-86.6	0	0	0	108.2	L27 P28 L31 L52 Q57 T59 P63 Y104 L114	L27-Y61 HydrophobicContact CD2-CD1 3.39Å; L27-Y61 HydrophobicContact CD2-CD2 4.1Å; L27-Y61 HydrophobicContact CD2-CE1 3.98Å; L27-Y61 HydrophobicContact CD2-CG 3.46Å; L27-Y61 VanDerWaalsContact CD2-CG 3.46Å; P28-Y61 HydrophobicContact CG-CE2 3.8Å; P28-Y61 WeakPolarHBondContact CG-OH 3.4Å; L31-Y61 HydrophobicContact CD2-CD2 3.43Å; L31-Y61 VanDerWaalsContact CD2-CD2 3.43Å; L31-Y61 HydrophobicContact CD2-CE2 3.44Å; L31-Y61 VanDerWaalsContact CD2-CE2 3.44Å; L31-Y61 HydrophobicContact CD2-CG 4.49Å; L52-Y61 HydrophobicContact CB-CD2 4.47Å; L52-Y61 PolarHBondContact N-O 3.01Å; L52-Y61 PolarHBondContact O-N 3.3Å; Q57-Y61 PolarHBondContact OE1-OH 2.82Å; T59-Y61 HydrophobicContact CG2-CD1 4.46Å; T59-Y61 HydrophobicContact CG2-CE1 3.88Å; T59-Y61 HydrophobicContact CG2-CE2 4.19Å; T59-Y61 WeakPolarHBondContact O-CE2 3.33Å; Y61-P63 WeakPolarHBondContact O-CD 3.41Å; Y61-Y104 HydrophobicContact CD1-CD1 4.28Å; Y61-Y104 AromaticContact CD1-CD2 3.85Å; Y61-Y104 HydrophobicContact CD1-CD2 3.85Å; Y61-Y104 HydrophobicContact CD1-CE2 4.29Å; Y61-Y104 AromaticContact CD1-CG 3.86Å; Y61-Y104 HydrophobicContact CD1-CG 3.86Å; Y61-Y104 AromaticContact CE1-CD1 3.76Å; Y61-Y104 HydrophobicContact CE1-CD1 3.76Å; Y61-Y104 AromaticContact CE1-CD2 3.78Å; Y61-Y104 HydrophobicContact CE1-CD2 3.78Å; Y61-Y104 AromaticContact CE1-CE1 3.78Å; Y61-Y104 HydrophobicContact CE1-CE1 3.78Å; Y61-Y104 AromaticContact CE1-CE2 3.82Å; Y61-Y104 HydrophobicContact CE1-CE2 3.82Å; Y61-Y104 AromaticContact CE1-CG 3.76Å; Y61-Y104 HydrophobicContact CE1-CG 3.76Å; Y61-Y104 AromaticContact CE1-CZ 3.8Å; Y61-L114 CarbonylContact C-O 3.51Å; Y61-L114 WeakPolarHBondContact CA-O 3.37Å
62	K	94.7	Very high	92.1	Very high	29 Å²	29	48.9 Å²	48.9	13%	0.126	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	120.5	178.5	-176.5	-176	-177.8	-174.1	0	108.7	I51 I64 E73 Y113 L114 D357	I51-K62 HydrophobicContact CG1-CG 4.47Å; K62-I64 PolarHBondContact O-N 3.19Å; K62-E73 WeakPolarHBondContact CE-OE2 3.32Å; K62-E73 IonicContact NZ-OE1 3.77Å; K62-E73 PolarHBondContact NZ-OE1 3.15Å; K62-E73 IonicContact NZ-OE2 3.82Å; K62-E73 PolarHBondContact NZ-OE2 3.46Å; K62-Y113 CarbonylContact O-C 3.4Å; K62-Y113 VanDerWaalsContact O-CA 3.27Å; K62-Y113 WeakPolarHBondContact O-CA 3.28Å; K62-L114 HydrophobicContact CB-CB 4.43Å; K62-L114 PolarHBondContact N-O 3.46Å; K62-L114 PolarHBondContact O-N 2.87Å; K62-D357 IonicContact NZ-OD1 3.18Å; K62-D357 PolarHBondContact NZ-OD1 2.97Å
63	P	92.4	Very high	92.2	Very high	23 Å²	23	47.3 Å²	47.3	15%	0.149	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	134.3	175.4	-21.4	30.4	0	0	0	111.3	K50 Y61 Q65 Y113	K50-P63 WeakPolarHBondContact O-CG 3.44Å; Y61-P63 WeakPolarHBondContact O-CD 3.41Å; P63-Q65 PolarHBondContact O-N 3.23Å; P63-Y113 HydrophobicContact CB-CD1 4.24Å; P63-Y113 HydrophobicContact CB-CE1 4.16Å; P63-Y113 HydrophobicContact CG-CD1 4.03Å; P63-Y113 HydrophobicContact CG-CE1 3.81Å
64	I	90.7	Very high	92.1	Very high	36 Å²	36	46.9 Å²	46.9	19%	0.185	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-67.7	119.7	172.4	-66.7	-164.1	0	0	0	108.3	K62 L74 L103 L112 L114	K62-I64 PolarHBondContact O-N 3.19Å; I64-L74 HydrophobicContact CD1-CB 4.43Å; I64-L74 HydrophobicContact CD1-CD2 4.09Å; I64-L103 HydrophobicContact CD1-CD1 3.4Å; I64-L103 VanDerWaalsContact CD1-CD1 3.4Å; I64-L103 HydrophobicContact CG1-CD1 4.49Å; I64-L112 HydrophobicContact CB-CB 4.11Å; I64-L112 HydrophobicContact CD1-CB 3.75Å; I64-L112 HydrophobicContact CD1-CD1 4.44Å; I64-L112 HydrophobicContact CG1-CB 3.97Å; I64-L112 PolarHBondContact N-O 3.06Å; I64-L114 HydrophobicContact CD1-CD2 4.49Å; I64-L114 HydrophobicContact CD1-CG 4.36Å; I64-L114 HydrophobicContact CG1-CG 4.09Å
65	Q	87	Confident	92	Very high	37 Å²	37	51 Å²	51	17%	0.173	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-68.3	157.5	179.4	-65.6	176.5	61.4	0	0	111.2	P63 K69 G70	P63-Q65 PolarHBondContact O-N 3.23Å; Q65-K69 HydrophobicContact CB-CB 3.91Å; Q65-G70 VanDerWaalsContact O-CA 3.22Å; Q65-G70 WeakPolarHBondContact O-CA 3.45Å; Q65-G70 PolarHBondContact O-N 3.35Å
66	H	83.5	Confident	92.2	Very high	171 Å²	171	45.7 Å²	45.7	79%	0.792	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	154.3	173.2	-67.5	-70	0	0	0	112	K69 G70	H66-K69 PolarHBondContact O-N 2.88Å; H66-G70 PolarHBondContact O-N 2.92Å
67	Y	82.9	Confident	92.3	Very high	117 Å²	117	40 Å²	40	46%	0.459	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	140.3	176.9	-177.5	-84.9	0	0	0	111.3	E13 P71	E13-Y67 WeakPolarHBondContact OE1-CE2 3.47Å; Y67-P71 HydrophobicContact CD2-CG 4.11Å
68	P	86.1	Confident	92.3	Very high	46 Å²	46	40.3 Å²	40.3	30%	0.299	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	cis	-89.9	-5.6	0.1	34.5	-35.2	0	0	0	114.4	G70 H72	P68-G70 PolarHBondContact O-N 2.75Å; P68-H72 WeakPolarHBondContact O-CB 3.19Å; P68-H72 VanDerWaalsContact O-CG 3.27Å; P68-H72 PolarHBondContact O-N 3.32Å; P68-H72 VanDerWaalsContact O-N 3.15Å
69	K	88.6	Confident	92.3	Very high	43 Å²	43	42.8 Å²	42.8	19%	0.187	20%	0.201	C	C	.	.	H	α-helix	trans	-59.5	-51.8	-168.4	-68.4	-178	-177	173.4	0	112.8	Q65 H66 E73 E298 T359	Q65-K69 HydrophobicContact CB-CB 3.91Å; H66-K69 PolarHBondContact O-N 2.88Å; K69-E73 PolarHBondContact O-N 2.94Å; K69-E73 VanDerWaalsContact O-N 3.15Å; K69-E298 IonicContact NZ-OE2 3.51Å; K69-E298 PolarHBondContact NZ-OE2 3.18Å; K69-E298 VanDerWaalsContact NZ-OE2 3.12Å; K69-T359 HydrophobicContact CB-CG2 4.08Å
70	G	88.4	Confident	92.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-67.3	-49.4	-176.1	0	0	0	0	0	113.8	Q65 H66 P68 H72 E73 L74	Q65-G70 VanDerWaalsContact O-CA 3.22Å; Q65-G70 WeakPolarHBondContact O-CA 3.45Å; Q65-G70 PolarHBondContact O-N 3.35Å; H66-G70 PolarHBondContact O-N 2.92Å; P68-G70 PolarHBondContact O-N 2.75Å; G70-H72 VanDerWaalsContact C-N 3.33Å; G70-H72 PolarHBondContact O-N 2.72Å; G70-E73 PolarHBondContact O-N 3.44Å; G70-L74 PolarHBondContact O-N 3Å
71	P	89.5	Confident	92.3	Very high	37 Å²	37	43.3 Å²	43.3	24%	0.24	20%	0.202	C	C	.	.	H	α-helix	trans	-58.1	-39.8	175.5	-30.3	38.5	0	0	0	113.9	Y67 L74 E75	Y67-P71 HydrophobicContact CD2-CG 4.11Å; P71-L74 PolarHBondContact O-N 3.14Å; P71-E75 WeakPolarHBondContact O-CB 3.48Å; P71-E75 PolarHBondContact O-N 3.18Å
72	H	91.5	Very high	92.3	Very high	42 Å²	42	46.4 Å²	46.4	19%	0.194	22%	0.218	C	C	.	.	H	α-helix	trans	-63	-42.3	174.5	-73.7	172	0	0	0	112.4	P68 G70 E75 F76 W361	P68-H72 WeakPolarHBondContact O-CB 3.19Å; P68-H72 VanDerWaalsContact O-CG 3.27Å; P68-H72 PolarHBondContact O-N 3.32Å; P68-H72 VanDerWaalsContact O-N 3.15Å; G70-H72 VanDerWaalsContact C-N 3.33Å; G70-H72 PolarHBondContact O-N 2.72Å; H72-E75 PolarHBondContact O-N 2.63Å; H72-F76 PolarHBondContact O-N 2.95Å; H72-W361 PolarHBondContact O-NE1 3.3Å
73	E	95.5	Very high	92.3	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-65.2	-43.6	178.1	-175.4	167.4	-144.2	0	0	111.5	K62 K69 G70 F76 Y77 L114 D357 F358	K62-E73 WeakPolarHBondContact CE-OE2 3.32Å; K62-E73 IonicContact NZ-OE1 3.77Å; K62-E73 PolarHBondContact NZ-OE1 3.15Å; K62-E73 IonicContact NZ-OE2 3.82Å; K62-E73 PolarHBondContact NZ-OE2 3.46Å; K69-E73 PolarHBondContact O-N 2.94Å; K69-E73 VanDerWaalsContact O-N 3.15Å; G70-E73 PolarHBondContact O-N 3.44Å; E73-F76 WeakPolarHBondContact O-CB 3.49Å; E73-F76 PolarHBondContact O-N 3.31Å; E73-Y77 HydrophobicContact CG-CD2 4Å; E73-Y77 HydrophobicContact CG-CE2 3.87Å; E73-Y77 VanDerWaalsContact O-CD2 3.31Å; E73-Y77 WeakPolarHBondContact O-CD2 3.46Å; E73-Y77 PolarHBondContact O-N 3.31Å; E73-Y77 VanDerWaalsContact O-N 3.13Å; E73-L114 HydrophobicContact CB-CD1 4.35Å; E73-L114 HydrophobicContact CG-CD1 3.71Å; E73-D357 WeakPolarHBondContact OE1-CA 3.26Å; E73-F358 VanDerWaalsContact CA-O 3.3Å; E73-F358 WeakPolarHBondContact CA-O 3.45Å; E73-F358 HydrophobicContact CG-CB 4.21Å; E73-F358 PolarHBondContact OE1-N 3.37Å
74	L	94.7	Very high	92.4	Very high	4 Å²	4	54 Å²	54	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-60	-46.4	174.7	173.6	62	0	0	0	111.9	L20 I64 G70 P71 F76 Y77 Q78 F100 L103 L114	L20-L74 HydrophobicContact CD1-CD2 3.86Å; L20-L74 HydrophobicContact CD2-CD2 3.67Å; L20-L74 HydrophobicContact CG-CD2 4.4Å; I64-L74 HydrophobicContact CD1-CB 4.43Å; I64-L74 HydrophobicContact CD1-CD2 4.09Å; G70-L74 PolarHBondContact O-N 3Å; P71-L74 PolarHBondContact O-N 3.14Å; L74-F76 VanDerWaalsContact C-N 3.27Å; L74-F76 PolarHBondContact O-N 3.24Å; L74-Y77 PolarHBondContact O-N 2.96Å; L74-Q78 HydrophobicContact CD1-CG 3.93Å; L74-Q78 HydrophobicContact CG-CG 4.34Å; L74-Q78 WeakPolarHBondContact O-CB 3.46Å; L74-Q78 WeakPolarHBondContact O-CG 3.34Å; L74-Q78 PolarHBondContact O-N 3.47Å; L74-F100 HydrophobicContact CD1-CE2 4.49Å; L74-F100 HydrophobicContact CD1-CZ 3.99Å; L74-L103 HydrophobicContact CD1-CD1 4.25Å; L74-L103 HydrophobicContact CD2-CD1 4.24Å; L74-L103 HydrophobicContact CD2-CD2 4.4Å; L74-L114 HydrophobicContact CB-CD2 4.08Å; L74-L114 HydrophobicContact CD1-CD2 3.49Å; L74-L114 VanDerWaalsContact CD1-CD2 3.49Å; L74-L114 HydrophobicContact CG-CD2 4.37Å
75	E	94.9	Very high	92.6	Very high	88 Å²	88	53.3 Å²	53.3	41%	0.411	26%	0.262	S	S	.	.	H	α-helix	trans	-58.3	-41.6	178.2	-174.4	-175.2	159.9	0	0	111.4	P71 H72 Q78 R79 W361	P71-E75 WeakPolarHBondContact O-CB 3.48Å; P71-E75 PolarHBondContact O-N 3.18Å; H72-E75 PolarHBondContact O-N 2.63Å; E75-Q78 PolarHBondContact O-N 2.93Å; E75-R79 WeakPolarHBondContact O-CB 3.42Å; E75-R79 PolarHBondContact O-N 3.13Å; E75-W361 HydrophobicContact CB-CZ2 4.26Å; E75-W361 HydrophobicContact CG-CZ2 3.93Å
76	F	97	Very high	92.9	Very high	1 Å²	1	59.9 Å²	59.9	0%	0.004	29%	0.293	C	S	.	.	H	α-helix	trans	-59.9	-50.6	176.3	-174.3	-106.7	0	0	0	112	H72 E73 L74 Q78 R79 L80 L93 F235 F358 W361	H72-F76 PolarHBondContact O-N 2.95Å; E73-F76 WeakPolarHBondContact O-CB 3.49Å; E73-F76 PolarHBondContact O-N 3.31Å; L74-F76 VanDerWaalsContact C-N 3.27Å; L74-F76 PolarHBondContact O-N 3.24Å; F76-Q78 PolarHBondContact O-N 2.91Å; F76-R79 PolarHBondContact O-N 3.48Å; F76-L80 HydrophobicContact CE1-CB 4.48Å; F76-L80 HydrophobicContact CE1-CD2 3.8Å; F76-L80 HydrophobicContact CZ-CD2 4.21Å; F76-L80 VanDerWaalsContact O-CB 3.25Å; F76-L80 WeakPolarHBondContact O-CB 3.49Å; F76-L80 PolarHBondContact O-N 3.02Å; F76-L93 HydrophobicContact CZ-CD2 3.74Å; F76-F235 HydrophobicContact CD2-CE1 4.3Å; F76-F235 HydrophobicContact CE1-CE1 4.29Å; F76-F235 AromaticContact CE2-CE1 3.54Å; F76-F235 HydrophobicContact CE2-CE1 3.54Å; F76-F235 AromaticContact CE2-CZ 3.8Å; F76-F235 HydrophobicContact CE2-CZ 3.8Å; F76-F235 AromaticContact CZ-CE1 3.53Å; F76-F235 HydrophobicContact CZ-CE1 3.53Å; F76-F235 AromaticContact CZ-CZ 3.76Å; F76-F235 HydrophobicContact CZ-CZ 3.76Å; F76-F358 HydrophobicContact CB-CB 4.03Å; F76-F358 HydrophobicContact CD1-CB 3.58Å; F76-F358 AromaticContact CD1-CD1 3.66Å; F76-F358 HydrophobicContact CD1-CD1 3.66Å; F76-F358 AromaticContact CD1-CD2 3.46Å; F76-F358 HydrophobicContact CD1-CD2 3.46Å; F76-F358 VanDerWaalsContact CD1-CD2 3.46Å; F76-F358 HydrophobicContact CD1-CE1 4.18Å; F76-F358 HydrophobicContact CD1-CE2 4.02Å; F76-F358 AromaticContact CD1-CG 3.25Å; F76-F358 HydrophobicContact CD1-CG 3.25Å; F76-F358 HydrophobicContact CD1-CZ 4.34Å; F76-F358 HydrophobicContact CE1-CB 4.25Å; F76-F358 AromaticContact CE1-CD1 3.41Å; F76-F358 HydrophobicContact CE1-CD1 3.41Å; F76-F358 VanDerWaalsContact CE1-CD1 3.41Å; F76-F358 AromaticContact CE1-CD2 3.69Å; F76-F358 HydrophobicContact CE1-CD2 3.69Å; F76-F358 AromaticContact CE1-CE1 3.51Å; F76-F358 HydrophobicContact CE1-CE1 3.51Å; F76-F358 AromaticContact CE1-CE2 3.8Å; F76-F358 HydrophobicContact CE1-CE2 3.8Å; F76-F358 AromaticContact CE1-CG 3.49Å; F76-F358 HydrophobicContact CE1-CG 3.49Å; F76-F358 VanDerWaalsContact CE1-CG 3.49Å; F76-F358 AromaticContact CE1-CZ 3.7Å; F76-F358 HydrophobicContact CE1-CZ 3.7Å; F76-F358 HydrophobicContact CG-CB 3.89Å; F76-F358 HydrophobicContact CG-CD1 4.41Å; F76-F358 HydrophobicContact CG-CG 4.04Å; F76-F358 HydrophobicContact CZ-CD1 4Å; F76-F358 HydrophobicContact CZ-CE1 4.06Å; F76-F358 HydrophobicContact CZ-CG 4.44Å; F76-W361 HydrophobicContact CB-CD2 4.42Å; F76-W361 HydrophobicContact CB-CG 4.44Å; F76-W361 HydrophobicContact CB-CZ2 4.28Å; F76-W361 AromaticContact CD2-CD2 3.79Å; F76-W361 HydrophobicContact CD2-CD2 3.79Å; F76-W361 AromaticContact CD2-CE2 3.96Å; F76-W361 HydrophobicContact CD2-CE3 4.17Å; F76-W361 AromaticContact CD2-CG 3.97Å; F76-W361 HydrophobicContact CD2-CG 3.97Å; F76-W361 HydrophobicContact CD2-CZ2 4.47Å; F76-W361 HydrophobicContact CG-CG 4.47Å
77	Y	97.9	Very high	93.4	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.008	27%	0.266	C	S	.	.	H	α-helix	trans	-62.1	-43	179.4	-84.8	-71.5	0	0	0	112.1	E73 L74 R79 L80 F81 V97 F100 L114 L116 F358	E73-Y77 HydrophobicContact CG-CD2 4Å; E73-Y77 HydrophobicContact CG-CE2 3.87Å; E73-Y77 VanDerWaalsContact O-CD2 3.31Å; E73-Y77 WeakPolarHBondContact O-CD2 3.46Å; E73-Y77 PolarHBondContact O-N 3.31Å; E73-Y77 VanDerWaalsContact O-N 3.13Å; L74-Y77 PolarHBondContact O-N 2.96Å; Y77-R79 VanDerWaalsContact C-N 3.33Å; Y77-R79 PolarHBondContact O-N 3.1Å; Y77-L80 PolarHBondContact O-N 3.28Å; Y77-F81 HydrophobicContact CD1-CD2 4.02Å; Y77-F81 AromaticContact CD1-CE2 3.87Å; Y77-F81 HydrophobicContact CD1-CE2 3.87Å; Y77-F81 HydrophobicContact CE1-CE2 4.22Å; Y77-F81 WeakPolarHBondContact O-CB 3.35Å; Y77-F81 PolarHBondContact O-N 3Å; Y77-V97 HydrophobicContact CD1-CG1 4.44Å; Y77-V97 HydrophobicContact CE1-CG1 3.65Å; Y77-F100 HydrophobicContact CD1-CB 4.01Å; Y77-F100 HydrophobicContact CD1-CD2 4.32Å; Y77-F100 HydrophobicContact CD1-CG 4.36Å; Y77-F100 HydrophobicContact CG-CD2 4.21Å; Y77-F100 HydrophobicContact CG-CG 4.48Å; Y77-L114 HydrophobicContact CD2-CD1 4.17Å; Y77-L114 HydrophobicContact CE2-CD1 4.35Å; Y77-L116 HydrophobicContact CD1-CD2 3.93Å; Y77-L116 HydrophobicContact CD2-CD2 4.41Å; Y77-L116 HydrophobicContact CE1-CD2 3.44Å; Y77-L116 VanDerWaalsContact CE1-CD2 3.44Å; Y77-L116 HydrophobicContact CE2-CD1 4.27Å; Y77-L116 HydrophobicContact CE2-CD2 4Å; Y77-L116 HydrophobicContact CG-CD2 4.39Å; Y77-L116 VanDerWaalsContact CZ-CD2 3.48Å; Y77-L116 WeakPolarHBondContact OH-CD1 3.32Å; Y77-F358 HydrophobicContact CD2-CD2 4.42Å; Y77-F358 HydrophobicContact CE1-CD2 4.5Å; Y77-F358 HydrophobicContact CE1-CE2 4.26Å; Y77-F358 AromaticContact CE2-CD2 3.71Å; Y77-F358 HydrophobicContact CE2-CD2 3.71Å; Y77-F358 HydrophobicContact CE2-CE2 4.19Å; Y77-F358 AromaticContact CZ-CD2 3.76Å; Y77-F358 AromaticContact CZ-CE2 3.74Å
78	Q	95.4	Very high	94.1	Very high	92 Å²	92	52.5 Å²	52.5	43%	0.43	27%	0.274	S	S	.	.	H	α-helix	trans	-60.7	-42.7	176.3	-74.3	177.9	-33	0	0	111.7	L74 E75 F76 D82 F100	L74-Q78 HydrophobicContact CD1-CG 3.93Å; L74-Q78 HydrophobicContact CG-CG 4.34Å; L74-Q78 WeakPolarHBondContact O-CB 3.46Å; L74-Q78 WeakPolarHBondContact O-CG 3.34Å; L74-Q78 PolarHBondContact O-N 3.47Å; E75-Q78 PolarHBondContact O-N 2.93Å; F76-Q78 PolarHBondContact O-N 2.91Å; Q78-D82 WeakPolarHBondContact O-CB 3.44Å; Q78-D82 PolarHBondContact O-N 2.72Å; Q78-F100 HydrophobicContact CG-CE1 4.23Å
79	R	95.7	Very high	94.5	Very high	100 Å²	100	51.3 Å²	51.3	38%	0.377	27%	0.265	S	S	.	.	H	α-helix	trans	-66.9	-48	176.4	-175.7	-177.6	-177.8	85.4	4.6	111.9	E75 F76 Y77 F81 D82 L90 Y233	E75-R79 WeakPolarHBondContact O-CB 3.42Å; E75-R79 PolarHBondContact O-N 3.13Å; F76-R79 PolarHBondContact O-N 3.48Å; Y77-R79 VanDerWaalsContact C-N 3.33Å; Y77-R79 PolarHBondContact O-N 3.1Å; R79-F81 VanDerWaalsContact C-N 3.35Å; R79-F81 PolarHBondContact O-N 3.41Å; R79-D82 PolarHBondContact O-N 3.02Å; R79-L90 HydrophobicContact CG-CD1 3.89Å; R79-Y233 PolarHBondContact NE-OH 2.87Å; R79-Y233 PolarHBondContact NH2-OH 2.93Å
80	L	97.4	Very high	94.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.1	-41.3	-176.7	177.7	61.7	0	0	0	111.6	F76 Y77 L90 L93 R94 V97	F76-L80 HydrophobicContact CE1-CB 4.48Å; F76-L80 HydrophobicContact CE1-CD2 3.8Å; F76-L80 HydrophobicContact CZ-CD2 4.21Å; F76-L80 VanDerWaalsContact O-CB 3.25Å; F76-L80 WeakPolarHBondContact O-CB 3.49Å; F76-L80 PolarHBondContact O-N 3.02Å; Y77-L80 PolarHBondContact O-N 3.28Å; L80-L90 HydrophobicContact CD1-CB 4.1Å; L80-L90 HydrophobicContact CD1-CD2 3.8Å; L80-L90 WeakPolarHBondContact CD1-O 3.22Å; L80-L93 HydrophobicContact CD1-CB 4Å; L80-L93 HydrophobicContact CD1-CD2 4.1Å; L80-L93 HydrophobicContact CD1-CG 4.24Å; L80-R94 HydrophobicContact CD1-CG 3.91Å; L80-R94 HydrophobicContact CG-CG 4.13Å; L80-R94 PolarHBondContact O-NE 3.32Å; L80-R94 PolarHBondContact O-NH2 2.88Å; L80-V97 HydrophobicContact CD2-CB 3.74Å; L80-V97 HydrophobicContact CD2-CG1 3.6Å; L80-V97 HydrophobicContact CD2-CG2 3.75Å
81	F	97.3	Very high	95.3	Very high	41 Å²	41	52.4 Å²	52.4	18%	0.18	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	15.8	-176.9	-69.3	-84.4	0	0	0	114.1	Y77 R79 P83 R94 V97 P98 F100	Y77-F81 HydrophobicContact CD1-CD2 4.02Å; Y77-F81 AromaticContact CD1-CE2 3.87Å; Y77-F81 HydrophobicContact CD1-CE2 3.87Å; Y77-F81 HydrophobicContact CE1-CE2 4.22Å; Y77-F81 WeakPolarHBondContact O-CB 3.35Å; Y77-F81 PolarHBondContact O-N 3Å; R79-F81 VanDerWaalsContact C-N 3.35Å; R79-F81 PolarHBondContact O-N 3.41Å; F81-P83 WeakPolarHBondContact O-CD 3.28Å; F81-R94 HydrophobicContact CD1-CG 4.31Å; F81-R94 HydrophobicContact CE1-CB 4.3Å; F81-R94 HydrophobicContact CE1-CG 3.99Å; F81-R94 HydrophobicContact CZ-CG 4.36Å; F81-V97 HydrophobicContact CE2-CG1 4.12Å; F81-V97 HydrophobicContact CZ-CG1 4.49Å; F81-P98 WeakPolarHBondContact CE2-O 3.45Å; F81-P98 WeakPolarHBondContact CZ-O 3.38Å; F81-F100 HydrophobicContact CB-CB 4.07Å; F81-F100 HydrophobicContact CB-CD1 4.44Å; F81-F100 HydrophobicContact CD2-CB 3.49Å; F81-F100 VanDerWaalsContact CD2-CB 3.49Å; F81-F100 HydrophobicContact CE2-CB 4.01Å; F81-F100 HydrophobicContact CG-CB 3.79Å
82	D	96.3	Very high	95.7	Very high	65 Å²	65	53.8 Å²	53.8	35%	0.348	28%	0.278	S	S	.	.			trans	-57.4	121.7	171	-178.2	-11.5	0	0	0	109.1	Q78 R79 N84 C85 R94	Q78-D82 WeakPolarHBondContact O-CB 3.44Å; Q78-D82 PolarHBondContact O-N 2.72Å; R79-D82 PolarHBondContact O-N 3.02Å; D82-N84 PolarHBondContact O-N 3.19Å; D82-N84 WeakPolarHBondContact OD1-CB 3.23Å; D82-N84 PolarHBondContact OD1-N 3.12Å; D82-N84 PolarHBondContact OD1-ND2 3.48Å; D82-C85 HydrophobicContact CB-CB 4.09Å; D82-C85 WeakPolarHBondContact O-CB 3.3Å; D82-C85 PolarHBondContact O-N 3.27Å; D82-R94 PolarHBondContact O-NH2 2.85Å
83	P	94.8	Very high	96	Very high	95 Å²	95	51.8 Å²	51.8	62%	0.617	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-20.5	179	25	-34.6	0	0	0	113	F81	F81-P83 WeakPolarHBondContact O-CD 3.28Å
84	N	95.9	Very high	96.1	Very high	117 Å²	117	55 Å²	55	63%	0.626	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	7.6	176.7	-50.7	-68.5	0	0	0	112.9	D82 H86	D82-N84 PolarHBondContact O-N 3.19Å; D82-N84 WeakPolarHBondContact OD1-CB 3.23Å; D82-N84 PolarHBondContact OD1-N 3.12Å; D82-N84 PolarHBondContact OD1-ND2 3.48Å; N84-H86 PolarHBondContact O-CD2 2.66Å; N84-H86 PolarHBondContact O-N 3.46Å
85	C	94.1	Very high	96.2	Very high	20 Å²	20	61.7 Å²	61.7	14%	0.135	31%	0.31	C	S	.	.			trans	-71.5	117	177.6	178.2	0	0	0	0	111.2	D82	D82-C85 HydrophobicContact CB-CB 4.09Å; D82-C85 WeakPolarHBondContact O-CB 3.3Å; D82-C85 PolarHBondContact O-N 3.27Å
86	H	93.7	Very high	96.4	Very high	176 Å²	176	58 Å²	58	82%	0.815	29%	0.292	S	S	*	.			trans	-103.5	1.8	174	-58.1	-58.8	0	0	0	113.6	N84 S88	N84-H86 PolarHBondContact O-CD2 2.66Å; N84-H86 PolarHBondContact O-N 3.46Å; H86-S88 PolarHBondContact O-N 3.06Å
87	D	94.4	Very high	96.4	Very high	44 Å²	44	57.9 Å²	57.9	24%	0.235	29%	0.292	C	S	.	.			trans	-69.1	110.4	175.9	-179.9	-3.3	0	0	0	110	I89 L90 V91 Y232	D87-I89 PolarHBondContact O-N 3.4Å; D87-I89 WeakPolarHBondContact OD1-CB 3.3Å; D87-I89 PolarHBondContact OD1-N 3.26Å; D87-L90 HydrophobicContact CB-CB 4.28Å; D87-L90 HydrophobicContact CB-CD1 4.21Å; D87-L90 HydrophobicContact CB-CG 4.35Å; D87-L90 PolarHBondContact O-N 3.25Å; D87-V91 WeakPolarHBondContact O-CG2 3.16Å; D87-V91 PolarHBondContact O-N 3.15Å; D87-Y232 VanDerWaalsContact CG-OH 3.26Å; D87-Y232 PolarHBondContact OD1-OH 3.33Å; D87-Y232 PolarHBondContact OD2-OH 2.88Å
88	S	96	Very high	96.4	Very high	88 Å²	88	58 Å²	58	62%	0.615	29%	0.293	S	S	*	.	H	α-helix	trans	-61.8	-29.3	-176.6	58.1	0	0	0	0	112.8	H86 E92	H86-S88 PolarHBondContact O-N 3.06Å; S88-E92 WeakPolarHBondContact O-CB 3.38Å; S88-E92 PolarHBondContact O-N 3.15Å
89	I	95.5	Very high	96.6	Very high	22 Å²	22	57 Å²	57	11%	0.113	29%	0.29	C	S	.	.	H	α-helix	trans	-65	-48.9	176.8	-63.7	-58.6	0	0	0	109.9	D87 E92 L93 W226 Q230 Y232 Y233	D87-I89 PolarHBondContact O-N 3.4Å; D87-I89 WeakPolarHBondContact OD1-CB 3.3Å; D87-I89 PolarHBondContact OD1-N 3.26Å; I89-E92 PolarHBondContact O-N 3.23Å; I89-L93 WeakPolarHBondContact O-CB 3.22Å; I89-L93 PolarHBondContact O-N 3.21Å; I89-L93 VanDerWaalsContact O-N 3.07Å; I89-W226 HydrophobicContact CG2-CH2 4.49Å; I89-W226 HydrophobicContact CG2-CZ2 3.48Å; I89-W226 VanDerWaalsContact CG2-CZ2 3.48Å; I89-W226 PolarHBondContact O-NE1 3.23Å; I89-Q230 HydrophobicContact CD1-CB 4.14Å; I89-Q230 HydrophobicContact CG2-CB 3.51Å; I89-Y232 WeakPolarHBondContact CB-OH 3.29Å; I89-Y232 HydrophobicContact CG1-CE1 4.47Å; I89-Y232 WeakPolarHBondContact CG1-OH 3.17Å; I89-Y233 HydrophobicContact CG2-CD2 3.99Å; I89-Y233 HydrophobicContact CG2-CE2 4.05Å
90	L	96.7	Very high	96.7	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-65.9	-42.9	176.7	-74.2	178.8	0	0	0	112.1	R79 L80 D87 E92 L93 R94 Y233	R79-L90 HydrophobicContact CG-CD1 3.89Å; L80-L90 HydrophobicContact CD1-CB 4.1Å; L80-L90 HydrophobicContact CD1-CD2 3.8Å; L80-L90 WeakPolarHBondContact CD1-O 3.22Å; D87-L90 HydrophobicContact CB-CB 4.28Å; D87-L90 HydrophobicContact CB-CD1 4.21Å; D87-L90 HydrophobicContact CB-CG 4.35Å; D87-L90 PolarHBondContact O-N 3.25Å; L90-E92 VanDerWaalsContact C-N 3.3Å; L90-E92 PolarHBondContact O-N 3.44Å; L90-L93 WeakPolarHBondContact O-CB 3.33Å; L90-L93 PolarHBondContact O-N 2.93Å; L90-L93 VanDerWaalsContact O-N 3.16Å; L90-R94 PolarHBondContact O-N 2.95Å; L90-Y233 VanDerWaalsContact CD1-OH 3.27Å; L90-Y233 WeakPolarHBondContact CD1-OH 3.35Å; L90-Y233 HydrophobicContact CD2-CD2 4.49Å; L90-Y233 HydrophobicContact CD2-CE1 4.13Å; L90-Y233 HydrophobicContact CD2-CE2 3.59Å; L90-Y233 VanDerWaalsContact CD2-CZ 3.44Å; L90-Y233 WeakPolarHBondContact CD2-OH 3.33Å; L90-Y233 HydrophobicContact CG-CE2 3.87Å; L90-Y233 WeakPolarHBondContact CG-OH 3.39Å
91	V	96.8	Very high	96.6	Very high	64 Å²	64	56.8 Å²	56.8	39%	0.388	30%	0.298	S	S	.	.	H	α-helix	trans	-61.3	-40	179.4	172.6	0	0	0	0	111.3	D87	D87-V91 WeakPolarHBondContact O-CG2 3.16Å; D87-V91 PolarHBondContact O-N 3.15Å
92	E	97.2	Very high	96.5	Very high	66 Å²	66	55.8 Å²	55.8	31%	0.308	30%	0.299	S	S	.	.	H	α-helix	trans	-66.7	-40.6	175	-173.2	175.2	-173.9	0	0	112.2	S88 I89 L90 R94 K95	S88-E92 WeakPolarHBondContact O-CB 3.38Å; S88-E92 PolarHBondContact O-N 3.15Å; I89-E92 PolarHBondContact O-N 3.23Å; L90-E92 VanDerWaalsContact C-N 3.3Å; L90-E92 PolarHBondContact O-N 3.44Å; E92-R94 PolarHBondContact O-N 3.23Å; E92-K95 PolarHBondContact O-N 3.39Å
93	L	97.9	Very high	96.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59.6	-31.4	-178.8	-173.9	59.3	0	0	0	113	F76 L80 I89 L90 K95 F96 V97 W226 F235 L355	F76-L93 HydrophobicContact CZ-CD2 3.74Å; L80-L93 HydrophobicContact CD1-CB 4Å; L80-L93 HydrophobicContact CD1-CD2 4.1Å; L80-L93 HydrophobicContact CD1-CG 4.24Å; I89-L93 WeakPolarHBondContact O-CB 3.22Å; I89-L93 PolarHBondContact O-N 3.21Å; I89-L93 VanDerWaalsContact O-N 3.07Å; L90-L93 WeakPolarHBondContact O-CB 3.33Å; L90-L93 PolarHBondContact O-N 2.93Å; L90-L93 VanDerWaalsContact O-N 3.16Å; L93-K95 PolarHBondContact O-N 2.79Å; L93-F96 PolarHBondContact O-N 2.78Å; L93-V97 HydrophobicContact CD1-CG2 4.29Å; L93-V97 HydrophobicContact CD2-CG2 4.49Å; L93-V97 HydrophobicContact CG-CG2 3.92Å; L93-W226 HydrophobicContact CB-CZ2 3.76Å; L93-W226 HydrophobicContact CD1-CD2 3.83Å; L93-W226 HydrophobicContact CD1-CE3 3.92Å; L93-W226 HydrophobicContact CD1-CH2 3.87Å; L93-W226 HydrophobicContact CD1-CZ2 3.77Å; L93-W226 HydrophobicContact CD1-CZ3 3.93Å; L93-W226 HydrophobicContact CD2-CH2 3.7Å; L93-W226 HydrophobicContact CD2-CZ2 3.58Å; L93-W226 HydrophobicContact CD2-CZ3 4.49Å; L93-W226 HydrophobicContact CG-CH2 4.26Å; L93-W226 HydrophobicContact CG-CZ2 3.88Å; L93-F235 HydrophobicContact CD2-CZ 4.26Å; L93-L355 HydrophobicContact CD1-CD1 3.6Å
94	R	98	Very high	96.6	Very high	67 Å²	67	50.2 Å²	50.2	25%	0.253	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-51.1	-29.3	178.8	-67.9	173.8	-175.8	179.6	-2.6	113.3	L80 F81 D82 L90 E92 F96 V97	L80-R94 HydrophobicContact CD1-CG 3.91Å; L80-R94 HydrophobicContact CG-CG 4.13Å; L80-R94 PolarHBondContact O-NE 3.32Å; L80-R94 PolarHBondContact O-NH2 2.88Å; F81-R94 HydrophobicContact CD1-CG 4.31Å; F81-R94 HydrophobicContact CE1-CB 4.3Å; F81-R94 HydrophobicContact CE1-CG 3.99Å; F81-R94 HydrophobicContact CZ-CG 4.36Å; D82-R94 PolarHBondContact O-NH2 2.85Å; L90-R94 PolarHBondContact O-N 2.95Å; E92-R94 PolarHBondContact O-N 3.23Å; R94-F96 PolarHBondContact O-N 2.8Å; R94-V97 PolarHBondContact O-N 2.83Å
95	K	97.4	Very high	96.5	Very high	145 Å²	145	47.2 Å²	47.2	63%	0.63	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-63.6	-19.3	177.3	-63.8	173.2	-174.4	167.6	0	113.8	E92 L93	E92-K95 PolarHBondContact O-N 3.39Å; L93-K95 PolarHBondContact O-N 2.79Å
96	F	98.4	Very high	96.4	Very high	10 Å²	10	47.3 Å²	47.3	4%	0.044	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-116.9	11.3	-175.6	-57	-77.9	0	0	0	112.4	L93 R94 Q222 L223 Y354 L355	L93-F96 PolarHBondContact O-N 2.78Å; R94-F96 PolarHBondContact O-N 2.8Å; F96-Q222 HydrophobicContact CE1-CB 4.31Å; F96-Q222 HydrophobicContact CZ-CB 3.75Å; F96-L223 HydrophobicContact CB-CD1 4.07Å; F96-L223 HydrophobicContact CD1-CB 4.2Å; F96-L223 HydrophobicContact CD1-CD1 4.24Å; F96-L223 HydrophobicContact CD2-CD1 3.93Å; F96-L223 HydrophobicContact CE1-CB 4.06Å; F96-L223 HydrophobicContact CE2-CD1 4.43Å; F96-L223 HydrophobicContact CG-CD1 3.82Å; F96-L223 HydrophobicContact CZ-CB 4.34Å; F96-Y354 VanDerWaalsContact C-CD1 3.44Å; F96-Y354 CarbonylContact O-C 3.43Å; F96-Y354 VanDerWaalsContact O-CA 3.29Å; F96-Y354 WeakPolarHBondContact O-CA 3.37Å; F96-L355 PolarHBondContact O-N 3.5Å
97	V	98.5	Very high	96.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	-129.5	138.6	-177.3	-178.6	0	0	0	0	109.2	Y77 L80 F81 L93 R94 D99 L355 F358	Y77-V97 HydrophobicContact CD1-CG1 4.44Å; Y77-V97 HydrophobicContact CE1-CG1 3.65Å; L80-V97 HydrophobicContact CD2-CB 3.74Å; L80-V97 HydrophobicContact CD2-CG1 3.6Å; L80-V97 HydrophobicContact CD2-CG2 3.75Å; F81-V97 HydrophobicContact CE2-CG1 4.12Å; F81-V97 HydrophobicContact CZ-CG1 4.49Å; L93-V97 HydrophobicContact CD1-CG2 4.29Å; L93-V97 HydrophobicContact CD2-CG2 4.49Å; L93-V97 HydrophobicContact CG-CG2 3.92Å; R94-V97 PolarHBondContact O-N 2.83Å; V97-D99 PolarHBondContact O-N 2.82Å; V97-L355 HydrophobicContact CG2-CB 4.27Å; V97-F358 HydrophobicContact CB-CZ 4.42Å; V97-F358 HydrophobicContact CG1-CE2 3.6Å; V97-F358 HydrophobicContact CG1-CZ 3.78Å; V97-F358 HydrophobicContact CG2-CE2 4.46Å; V97-F358 HydrophobicContact CG2-CZ 3.79Å
98	P	98	Very high	95.8	Very high	5 Å²	5	47.5 Å²	47.5	3%	0.032	25%	0.252	C	S	.	.			trans	-55.1	135.7	175.1	-23.5	31.3	0	0	0	111.7	F81 F100 L116 L119 Y354 L355 I356	F81-P98 WeakPolarHBondContact CE2-O 3.45Å; F81-P98 WeakPolarHBondContact CZ-O 3.38Å; P98-F100 PolarHBondContact O-N 3.07Å; P98-L116 HydrophobicContact CB-CB 4.19Å; P98-L119 HydrophobicContact CB-CD2 4.34Å; P98-L119 HydrophobicContact CB-CG 4.49Å; P98-L119 HydrophobicContact CG-CD1 3.99Å; P98-L119 HydrophobicContact CG-CD2 4.4Å; P98-L119 HydrophobicContact CG-CG 4.26Å; P98-Y354 HydrophobicContact CG-CD1 4.43Å; P98-L355 WeakPolarHBondContact CD-O 3.5Å; P98-I356 HydrophobicContact CG-CG2 3.99Å
99	D	97.8	Very high	95.1	Very high	69 Å²	69	48.9 Å²	48.9	37%	0.369	25%	0.249	S	C	.	.			trans	-57.7	131.9	177.9	-65	-28.8	0	0	0	110.1	V97 C101 L116 K117	V97-D99 PolarHBondContact O-N 2.82Å; D99-C101 PolarHBondContact O-N 2.91Å; D99-L116 WeakPolarHBondContact O-CA 3.32Å; D99-K117 HydrophobicContact CB-CB 3.9Å; D99-K117 HydrophobicContact CB-CD 4.07Å; D99-K117 PolarHBondContact O-N 2.62Å; D99-K117 WeakPolarHBondContact OD2-CD 3.24Å; D99-K117 IonicContact OD2-NZ 3.83Å; D99-K117 PolarHBondContact OD2-NZ 3.32Å
100	F	97.8	Very high	94.5	Very high	47 Å²	47	54.1 Å²	54.1	21%	0.206	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	111.7	177.4	-177.8	-129.7	0	0	0	110.7	L74 Y77 Q78 F81 P98 G102 L114 L116	L74-F100 HydrophobicContact CD1-CE2 4.49Å; L74-F100 HydrophobicContact CD1-CZ 3.99Å; Y77-F100 HydrophobicContact CD1-CB 4.01Å; Y77-F100 HydrophobicContact CD1-CD2 4.32Å; Y77-F100 HydrophobicContact CD1-CG 4.36Å; Y77-F100 HydrophobicContact CG-CD2 4.21Å; Y77-F100 HydrophobicContact CG-CG 4.48Å; Q78-F100 HydrophobicContact CG-CE1 4.23Å; F81-F100 HydrophobicContact CB-CB 4.07Å; F81-F100 HydrophobicContact CB-CD1 4.44Å; F81-F100 HydrophobicContact CD2-CB 3.49Å; F81-F100 VanDerWaalsContact CD2-CB 3.49Å; F81-F100 HydrophobicContact CE2-CB 4.01Å; F81-F100 HydrophobicContact CG-CB 3.79Å; P98-F100 PolarHBondContact O-N 3.07Å; F100-G102 VanDerWaalsContact CE2-C 3.49Å; F100-G102 VanDerWaalsContact CE2-O 3.24Å; F100-G102 WeakPolarHBondContact CE2-O 3.38Å; F100-L114 HydrophobicContact CE2-CD2 3.68Å; F100-L114 HydrophobicContact CZ-CD2 4.36Å; F100-L116 HydrophobicContact CD2-CD2 4.11Å
101	C	96.7	Very high	94.1	Very high	50 Å²	50	58.9 Å²	58.9	34%	0.338	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-8.9	179.5	-57.8	0	0	0	0	112.9	T59 D99 Y104 G115 K117	T59-C101 HydrophobicContact CG2-CB 4.1Å; D99-C101 PolarHBondContact O-N 2.91Å; C101-Y104 PolarHBondContact O-OH 3.36Å; C101-G115 WeakPolarHBondContact CB-O 3.49Å; C101-G115 PolarHBondContact N-O 2.73Å; C101-K117 PolarHBondContact SG-N 3.19Å
102	G	95.5	Very high	93.9	Very high	19 Å²	19	56.3 Å²	56.3	20%	0.196	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	121.4	-173.5	175.3	0	0	0	0	0	113.8	F100 Y104 G115	F100-G102 VanDerWaalsContact CE2-C 3.49Å; F100-G102 VanDerWaalsContact CE2-O 3.24Å; F100-G102 WeakPolarHBondContact CE2-O 3.38Å; G102-Y104 WeakPolarHBondContact O-CD2 3.22Å; G102-G115 PolarHBondContact O-N 2.66Å
103	L	95.9	Very high	93.8	Very high	17 Å²	17	54.5 Å²	54.5	9%	0.089	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	134.1	178.5	-176.4	67	0	0	0	109.9	L20 S24 S25 I64 L74 L112	L20-L103 HydrophobicContact CB-CD2 3.93Å; L20-L103 HydrophobicContact CD2-CD2 3.8Å; L20-L103 HydrophobicContact CG-CD2 4.42Å; L20-L103 VanDerWaalsContact O-CD2 3.28Å; L20-L103 WeakPolarHBondContact O-CD2 3.48Å; S24-L103 CarbonylContact C-O 3.49Å; S24-L103 VanDerWaalsContact CA-O 3.3Å; S24-L103 WeakPolarHBondContact CA-O 3.26Å; S24-L103 WeakPolarHBondContact CB-O 3.39Å; S25-L103 PolarHBondContact N-O 3Å; I64-L103 HydrophobicContact CD1-CD1 3.4Å; I64-L103 VanDerWaalsContact CD1-CD1 3.4Å; I64-L103 HydrophobicContact CG1-CD1 4.49Å; L74-L103 HydrophobicContact CD1-CD1 4.25Å; L74-L103 HydrophobicContact CD2-CD1 4.24Å; L74-L103 HydrophobicContact CD2-CD2 4.4Å; L103-L112 HydrophobicContact CD1-CB 4.29Å; L103-L112 HydrophobicContact CD1-CD2 4.4Å; L103-L112 HydrophobicContact CD2-CD2 4.42Å; L103-L112 HydrophobicContact CG-CD2 4.34Å
104	Y	96.2	Very high	93.7	Very high	27 Å²	27	54.5 Å²	54.5	11%	0.106	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	157.4	-177.9	-64.5	-101.4	0	0	0	111.5	S25 L27 Y61 C101 G102 L112 Y113	S25-Y104 CarbonylContact O-C 2.94Å; S25-Y104 WeakPolarHBondContact O-CA 3.49Å; L27-Y104 HydrophobicContact CD2-CG 4.39Å; Y61-Y104 HydrophobicContact CD1-CD1 4.28Å; Y61-Y104 AromaticContact CD1-CD2 3.85Å; Y61-Y104 HydrophobicContact CD1-CD2 3.85Å; Y61-Y104 HydrophobicContact CD1-CE2 4.29Å; Y61-Y104 AromaticContact CD1-CG 3.86Å; Y61-Y104 HydrophobicContact CD1-CG 3.86Å; Y61-Y104 AromaticContact CE1-CD1 3.76Å; Y61-Y104 HydrophobicContact CE1-CD1 3.76Å; Y61-Y104 AromaticContact CE1-CD2 3.78Å; Y61-Y104 HydrophobicContact CE1-CD2 3.78Å; Y61-Y104 AromaticContact CE1-CE1 3.78Å; Y61-Y104 HydrophobicContact CE1-CE1 3.78Å; Y61-Y104 AromaticContact CE1-CE2 3.82Å; Y61-Y104 HydrophobicContact CE1-CE2 3.82Å; Y61-Y104 AromaticContact CE1-CG 3.76Å; Y61-Y104 HydrophobicContact CE1-CG 3.76Å; Y61-Y104 AromaticContact CE1-CZ 3.8Å; C101-Y104 PolarHBondContact O-OH 3.36Å; G102-Y104 WeakPolarHBondContact O-CD2 3.22Å; Y104-L112 CarbonylContact O-C 3.23Å; Y104-L112 VanDerWaalsContact O-CA 3.3Å; Y104-L112 WeakPolarHBondContact O-CA 3.4Å; Y104-Y113 PolarHBondContact N-O 3.43Å; Y104-Y113 PolarHBondContact O-N 2.7Å
105	R	94	Very high	93.7	Very high	54 Å²	54	51.3 Å²	51.3	20%	0.204	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	154.8	173.4	66.2	178.5	-179.7	-86.2	-13.7	112	F21 S24 S25 L27 H111 L112	F21-R105 HydrophobicContact CD1-CB 4.01Å; F21-R105 HydrophobicContact CE1-CB 4.28Å; F21-R105 PolarHBondContact O-NH1 3.46Å; S24-R105 PolarHBondContact O-NH1 2.92Å; S24-R105 VanDerWaalsContact OG-CB 3.32Å; S24-R105 WeakPolarHBondContact OG-CB 3.13Å; S24-R105 WeakPolarHBondContact OG-CD 3.44Å; S24-R105 WeakPolarHBondContact OG-CG 3.28Å; S24-R105 PolarHBondContact OG-NH1 3.23Å; S25-R105 PolarHBondContact O-N 3.26Å; L27-R105 WeakPolarHBondContact CG-O 3.42Å; L27-R105 PolarHBondContact N-O 3.46Å; R105-H111 WeakPolarHBondContact CA-O 3.3Å; R105-L112 HydrophobicContact CB-CD2 4.05Å
106	D	91.5	Very high	93.7	Very high	22 Å²	22	44.7 Å²	44.7	12%	0.118	23%	0.227	C	C	.	.			trans	-70.4	164	164.1	63	12.1	0	0	0	111.8	L27 E108 Q109 K110 H111 Y113	L27-D106 HydrophobicContact CD1-CB 4.44Å; D106-E108 PolarHBondContact O-N 3.34Å; D106-Q109 PolarHBondContact O-N 2.9Å; D106-Q109 VanDerWaalsContact OD1-CA 3.28Å; D106-Q109 WeakPolarHBondContact OD1-CA 3.47Å; D106-Q109 PolarHBondContact OD1-N 3.47Å; D106-K110 PolarHBondContact OD1-N 3.12Å; D106-H111 PolarHBondContact N-O 2.6Å; D106-H111 VanDerWaalsContact N-O 3.15Å; D106-H111 PolarHBondContact OD1-N 3.44Å; D106-H111 IonicContact OD2-CE1 3.93Å; D106-H111 IonicContact OD2-CG 3.57Å; D106-H111 PolarHBondContact OD2-N 3.31Å; D106-H111 IonicContact OD2-ND1 2.82Å; D106-H111 PolarHBondContact OD2-ND1 3.38Å; D106-Y113 HydrophobicContact CB-CE2 4.34Å
107	S	88.9	Confident	93.7	Very high	100 Å²	100	49.2 Å²	49.2	70%	0.699	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-27.4	179.5	51.3	0	0	0	0	113	Q109	S107-Q109 VanDerWaalsContact C-N 3.3Å
108	E	86.4	Confident	93.6	Very high	124 Å²	124	49.7 Å²	49.7	58%	0.579	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	-6.2	179.4	-58.9	-174.3	179.5	0	0	113.3	D106 K110	D106-E108 PolarHBondContact O-N 3.34Å; E108-K110 HydrophobicContact CB-CD 4.03Å; E108-K110 HydrophobicContact CB-CG 3.95Å; E108-K110 PolarHBondContact O-N 3.42Å; E108-K110 VanDerWaalsContact OE2-CD 3.3Å; E108-K110 WeakPolarHBondContact OE2-CD 3.47Å; E108-K110 WeakPolarHBondContact OE2-CE 3.29Å; E108-K110 IonicContact OE2-NZ 2.65Å; E108-K110 PolarHBondContact OE2-NZ 3.27Å
109	Q	81.8	Confident	93.5	Very high	117 Å²	117	51.1 Å²	51.1	55%	0.547	26%	0.256	S	S	.	.	S	Bend	trans	54.6	36.9	-174.2	-47.7	-171.2	12.1	0	0	113.4	F21 D106 S107	F21-Q109 HydrophobicContact CD1-CB 4.15Å; F21-Q109 HydrophobicContact CE1-CB 4.33Å; F21-Q109 WeakPolarHBondContact CE1-O 3.5Å; F21-Q109 WeakPolarHBondContact CZ-O 3.3Å; D106-Q109 PolarHBondContact O-N 2.9Å; D106-Q109 VanDerWaalsContact OD1-CA 3.28Å; D106-Q109 WeakPolarHBondContact OD1-CA 3.47Å; D106-Q109 PolarHBondContact OD1-N 3.47Å; S107-Q109 VanDerWaalsContact C-N 3.3Å
110	K	83.1	Confident	93.5	Very high	131 Å²	131	48 Å²	48	57%	0.57	24%	0.24	S	C	*	.			trans	-98	-32.5	178.3	-68.4	-179.1	-177.6	166.3	0	112.1	D106 E108	D106-K110 PolarHBondContact OD1-N 3.12Å; E108-K110 HydrophobicContact CB-CD 4.03Å; E108-K110 HydrophobicContact CB-CG 3.95Å; E108-K110 PolarHBondContact O-N 3.42Å; E108-K110 VanDerWaalsContact OE2-CD 3.3Å; E108-K110 WeakPolarHBondContact OE2-CD 3.47Å; E108-K110 WeakPolarHBondContact OE2-CE 3.29Å; E108-K110 IonicContact OE2-NZ 2.65Å; E108-K110 PolarHBondContact OE2-NZ 3.27Å
111	H	88.5	Confident	93.3	Very high	102 Å²	102	47.5 Å²	47.5	47%	0.472	24%	0.244	S	C	.	.			trans	-132.1	139.2	-174.5	-51.3	93.1	0	0	0	111.6	R105 D106 Y113	R105-H111 WeakPolarHBondContact CA-O 3.3Å; D106-H111 PolarHBondContact N-O 2.6Å; D106-H111 VanDerWaalsContact N-O 3.15Å; D106-H111 PolarHBondContact OD1-N 3.44Å; D106-H111 IonicContact OD2-CE1 3.93Å; D106-H111 IonicContact OD2-CG 3.57Å; D106-H111 PolarHBondContact OD2-N 3.31Å; D106-H111 IonicContact OD2-ND1 2.82Å; D106-H111 PolarHBondContact OD2-ND1 3.38Å; H111-Y113 HydrophobicContact CB-CE2 3.63Å
112	L	92.3	Very high	93	Very high	10 Å²	10	51.7 Å²	51.7	5%	0.052	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	151.8	170.1	-68.7	171.7	0	0	0	110.4	L17 L20 F21 I64 L103 Y104 R105	L17-L112 HydrophobicContact CD1-CD1 3.93Å; L20-L112 HydrophobicContact CB-CD1 3.77Å; L20-L112 HydrophobicContact CD1-CD1 4.42Å; F21-L112 HydrophobicContact CD1-CD2 3.53Å; F21-L112 HydrophobicContact CD1-CG 3.97Å; F21-L112 HydrophobicContact CD2-CD1 4.32Å; F21-L112 HydrophobicContact CD2-CG 4.41Å; F21-L112 HydrophobicContact CE1-CD2 3.68Å; F21-L112 HydrophobicContact CE1-CG 3.66Å; F21-L112 HydrophobicContact CE2-CD1 4.19Å; F21-L112 HydrophobicContact CE2-CG 4.13Å; F21-L112 HydrophobicContact CG-CD2 3.99Å; F21-L112 HydrophobicContact CG-CG 4.34Å; F21-L112 HydrophobicContact CZ-CD1 4.3Å; F21-L112 HydrophobicContact CZ-CD2 4.26Å; F21-L112 HydrophobicContact CZ-CG 3.75Å; I64-L112 HydrophobicContact CB-CB 4.11Å; I64-L112 HydrophobicContact CD1-CB 3.75Å; I64-L112 HydrophobicContact CD1-CD1 4.44Å; I64-L112 HydrophobicContact CG1-CB 3.97Å; I64-L112 PolarHBondContact N-O 3.06Å; L103-L112 HydrophobicContact CD1-CB 4.29Å; L103-L112 HydrophobicContact CD1-CD2 4.4Å; L103-L112 HydrophobicContact CD2-CD2 4.42Å; L103-L112 HydrophobicContact CG-CD2 4.34Å; Y104-L112 CarbonylContact O-C 3.23Å; Y104-L112 VanDerWaalsContact O-CA 3.3Å; Y104-L112 WeakPolarHBondContact O-CA 3.4Å; R105-L112 HydrophobicContact CB-CD2 4.05Å
113	Y	94.8	Very high	93	Very high	28 Å²	28	52.2 Å²	52.2	11%	0.11	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	138.2	-178.7	-58.9	-104.3	0	0	0	110.8	L27 L52 K62 P63 Y104 D106 H111	L27-Y113 HydrophobicContact CD1-CD2 3.64Å; L27-Y113 HydrophobicContact CD1-CE1 4.39Å; L27-Y113 HydrophobicContact CD1-CE2 3.49Å; L27-Y113 VanDerWaalsContact CD1-CE2 3.49Å; L27-Y113 HydrophobicContact CD1-CG 4.2Å; L27-Y113 HydrophobicContact CD2-CD2 4.28Å; L27-Y113 HydrophobicContact CD2-CG 4.23Å; L27-Y113 HydrophobicContact CG-CD2 4.11Å; L27-Y113 HydrophobicContact CG-CE2 4.42Å; L52-Y113 HydrophobicContact CD1-CD1 4.35Å; L52-Y113 HydrophobicContact CD1-CE1 3.64Å; L52-Y113 HydrophobicContact CG-CE1 4.17Å; K62-Y113 CarbonylContact O-C 3.4Å; K62-Y113 VanDerWaalsContact O-CA 3.27Å; K62-Y113 WeakPolarHBondContact O-CA 3.28Å; P63-Y113 HydrophobicContact CB-CD1 4.24Å; P63-Y113 HydrophobicContact CB-CE1 4.16Å; P63-Y113 HydrophobicContact CG-CD1 4.03Å; P63-Y113 HydrophobicContact CG-CE1 3.81Å; Y104-Y113 PolarHBondContact N-O 3.43Å; Y104-Y113 PolarHBondContact O-N 2.7Å; D106-Y113 HydrophobicContact CB-CE2 4.34Å; H111-Y113 HydrophobicContact CB-CE2 3.63Å
114	L	95.7	Very high	92.8	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	116.2	165.1	-69	167.8	0	0	0	108.6	Y61 K62 I64 E73 L74 Y77 F100 L116	Y61-L114 CarbonylContact C-O 3.51Å; Y61-L114 WeakPolarHBondContact CA-O 3.37Å; K62-L114 HydrophobicContact CB-CB 4.43Å; K62-L114 PolarHBondContact N-O 3.46Å; K62-L114 PolarHBondContact O-N 2.87Å; I64-L114 HydrophobicContact CD1-CD2 4.49Å; I64-L114 HydrophobicContact CD1-CG 4.36Å; I64-L114 HydrophobicContact CG1-CG 4.09Å; E73-L114 HydrophobicContact CB-CD1 4.35Å; E73-L114 HydrophobicContact CG-CD1 3.71Å; L74-L114 HydrophobicContact CB-CD2 4.08Å; L74-L114 HydrophobicContact CD1-CD2 3.49Å; L74-L114 VanDerWaalsContact CD1-CD2 3.49Å; L74-L114 HydrophobicContact CG-CD2 4.37Å; Y77-L114 HydrophobicContact CD2-CD1 4.17Å; Y77-L114 HydrophobicContact CE2-CD1 4.35Å; F100-L114 HydrophobicContact CE2-CD2 3.68Å; F100-L114 HydrophobicContact CZ-CD2 4.36Å; L114-L116 HydrophobicContact CB-CG 4.41Å
115	G	97.7	Very high	92.7	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	120.7	168.1	0	0	0	0	0	109.6	I60 C101 G102	I60-G115 WeakPolarHBondContact O-CA 3.31Å; C101-G115 WeakPolarHBondContact CB-O 3.49Å; C101-G115 PolarHBondContact N-O 2.73Å; G102-G115 PolarHBondContact O-N 2.66Å
116	L	98.2	Very high	92.8	Very high	6 Å²	6	56.5 Å²	56.5	3%	0.031	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	137.4	179.3	-56.9	174	0	0	0	109	T59 I60 Y77 P98 D99 F100 L114 D118	T59-L116 CarbonylContact C-O 3.5Å; T59-L116 WeakPolarHBondContact CA-O 3.36Å; T59-L116 WeakPolarHBondContact CG2-O 3.49Å; I60-L116 HydrophobicContact CD1-CB 4.31Å; I60-L116 HydrophobicContact CG1-CB 3.83Å; I60-L116 WeakPolarHBondContact CG1-O 3.27Å; I60-L116 PolarHBondContact N-O 2.7Å; I60-L116 PolarHBondContact O-N 3.44Å; Y77-L116 HydrophobicContact CD1-CD2 3.93Å; Y77-L116 HydrophobicContact CD2-CD2 4.41Å; Y77-L116 HydrophobicContact CE1-CD2 3.44Å; Y77-L116 VanDerWaalsContact CE1-CD2 3.44Å; Y77-L116 HydrophobicContact CE2-CD1 4.27Å; Y77-L116 HydrophobicContact CE2-CD2 4Å; Y77-L116 HydrophobicContact CG-CD2 4.39Å; Y77-L116 VanDerWaalsContact CZ-CD2 3.48Å; Y77-L116 WeakPolarHBondContact OH-CD1 3.32Å; P98-L116 HydrophobicContact CB-CB 4.19Å; D99-L116 WeakPolarHBondContact O-CA 3.32Å; F100-L116 HydrophobicContact CD2-CD2 4.11Å; L114-L116 HydrophobicContact CB-CG 4.41Å; L116-D118 PolarHBondContact O-N 2.87Å
117	K	97.8	Very high	93.1	Very high	105 Å²	105	55.4 Å²	55.4	46%	0.457	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	134	176	-175.2	175.6	179.2	176.6	0	110.6	D99 C101 L119	D99-K117 HydrophobicContact CB-CB 3.9Å; D99-K117 HydrophobicContact CB-CD 4.07Å; D99-K117 PolarHBondContact O-N 2.62Å; D99-K117 WeakPolarHBondContact OD2-CD 3.24Å; D99-K117 IonicContact OD2-NZ 3.83Å; D99-K117 PolarHBondContact OD2-NZ 3.32Å; C101-K117 PolarHBondContact SG-N 3.19Å; K117-L119 PolarHBondContact O-N 3.23Å
118	D	97.5	Very high	93.5	Very high	11 Å²	11	50.7 Å²	50.7	6%	0.059	24%	0.242	C	C	.	.			trans	-72.3	113.4	177.2	179.9	15.7	0	0	0	110.4	Y34 Y53 S58 I60 L116 L120 A121	Y34-D118 PolarHBondContact OH-OD1 3.18Å; Y53-D118 HydrophobicContact CD2-CB 4.4Å; Y53-D118 HydrophobicContact CE2-CB 3.73Å; Y53-D118 VanDerWaalsContact CE2-OD2 3.22Å; Y53-D118 WeakPolarHBondContact CE2-OD2 3.32Å; Y53-D118 PolarHBondContact OH-OD2 3.42Å; S58-D118 WeakPolarHBondContact O-CB 3.38Å; S58-D118 PolarHBondContact O-N 2.98Å; I60-D118 HydrophobicContact CG2-CB 4.1Å; L116-D118 PolarHBondContact O-N 2.87Å; D118-L120 PolarHBondContact O-N 2.85Å; D118-L120 PolarHBondContact OD1-N 3.05Å; D118-A121 HydrophobicContact CB-CB 4.15Å; D118-A121 WeakPolarHBondContact OD2-CA 3.31Å; D118-A121 PolarHBondContact OD2-N 3.29Å
119	L	96.3	Very high	94.1	Very high	35 Å²	35	44.9 Å²	44.9	18%	0.183	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-23.9	177.9	-60.9	178.8	0	0	0	112.7	P98 K117 L241 L352 Y354	P98-L119 HydrophobicContact CB-CD2 4.34Å; P98-L119 HydrophobicContact CB-CG 4.49Å; P98-L119 HydrophobicContact CG-CD1 3.99Å; P98-L119 HydrophobicContact CG-CD2 4.4Å; P98-L119 HydrophobicContact CG-CG 4.26Å; K117-L119 PolarHBondContact O-N 3.23Å; L119-L241 HydrophobicContact CD1-CD2 4.16Å; L119-L352 HydrophobicContact CB-CD1 4.27Å; L119-L352 WeakPolarHBondContact O-CD1 3.33Å; L119-Y354 HydrophobicContact CD1-CD1 3.73Å; L119-Y354 HydrophobicContact CD1-CD2 3.76Å; L119-Y354 HydrophobicContact CD1-CE1 4.37Å; L119-Y354 HydrophobicContact CD1-CE2 4.41Å; L119-Y354 HydrophobicContact CD1-CG 3.38Å; L119-Y354 HydrophobicContact CD2-CD1 3.65Å; L119-Y354 HydrophobicContact CD2-CD2 4.13Å; L119-Y354 HydrophobicContact CD2-CE1 3.43Å; L119-Y354 VanDerWaalsContact CD2-CE1 3.43Å; L119-Y354 HydrophobicContact CD2-CE2 3.97Å; L119-Y354 HydrophobicContact CD2-CG 3.99Å; L119-Y354 HydrophobicContact CG-CD1 4.34Å; L119-Y354 HydrophobicContact CG-CG 4.33Å
120	L	96	Very high	94.9	Very high	4 Å²	4	40 Å²	40	2%	0.021	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	6.3	-171.8	-53	179.6	0	0	0	112.9	Y34 N36 D118 N122 F123 P126 L128 A243 L352	Y34-L120 WeakPolarHBondContact OH-CD1 3.33Å; N36-L120 HydrophobicContact CB-CD1 3.65Å; D118-L120 PolarHBondContact O-N 2.85Å; D118-L120 PolarHBondContact OD1-N 3.05Å; L120-N122 PolarHBondContact O-N 2.92Å; L120-F123 HydrophobicContact CD2-CD2 3.84Å; L120-F123 HydrophobicContact CD2-CE2 4.02Å; L120-F123 PolarHBondContact O-N 2.8Å; L120-P126 HydrophobicContact CD1-CB 4.46Å; L120-L128 HydrophobicContact CD1-CD1 3.66Å; L120-L128 HydrophobicContact CD1-CD2 3.45Å; L120-L128 VanDerWaalsContact CD1-CD2 3.45Å; L120-L128 HydrophobicContact CD1-CG 4.2Å; L120-L128 HydrophobicContact CD2-CD2 3.74Å; L120-L128 HydrophobicContact CG-CD2 4.26Å; L120-A243 HydrophobicContact CD2-CB 3.71Å; L120-L352 HydrophobicContact CD2-CD1 3.71Å
121	A	94	Very high	95.6	Very high	35 Å²	35	33.7 Å²	33.7	29%	0.289	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-29.8	-172.1	0	0	0	0	0	113.9	D118	D118-A121 HydrophobicContact CB-CB 4.15Å; D118-A121 WeakPolarHBondContact OD2-CA 3.31Å; D118-A121 PolarHBondContact OD2-N 3.29Å
122	N	91.2	Very high	96	Very high	139 Å²	139	30.4 Å²	30.4	74%	0.743	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-0.2	-179.1	-63.2	-35.1	0	0	0	113.9	L120	L120-N122 PolarHBondContact O-N 2.92Å
123	F	94.4	Very high	96.3	Very high	30 Å²	30	30 Å²	30	13%	0.132	15%	0.147	C	C	.	.			trans	-88.5	132.2	-178.7	-74.6	14.9	0	0	0	110.1	L120 P126 A243 Y244 D245 Y350 L352	L120-F123 HydrophobicContact CD2-CD2 3.84Å; L120-F123 HydrophobicContact CD2-CE2 4.02Å; L120-F123 PolarHBondContact O-N 2.8Å; F123-P126 HydrophobicContact CB-CB 4.03Å; F123-P126 HydrophobicContact CD2-CB 3.95Å; F123-A243 HydrophobicContact CE2-CB 4.04Å; F123-Y244 VanDerWaalsContact CE2-CA 3.5Å; F123-D245 WeakPolarHBondContact CA-OD2 3.37Å; F123-D245 HydrophobicContact CB-CB 4.2Å; F123-D245 HydrophobicContact CD1-CB 4.03Å; F123-D245 HydrophobicContact CD2-CB 4.05Å; F123-D245 HydrophobicContact CE1-CB 4.41Å; F123-D245 HydrophobicContact CE2-CB 4.44Å; F123-D245 HydrophobicContact CG-CB 3.84Å; F123-Y350 AromaticContact CE1-CD1 3.78Å; F123-Y350 HydrophobicContact CE1-CD1 3.78Å; F123-Y350 AromaticContact CE1-CE1 3.77Å; F123-Y350 HydrophobicContact CE1-CE1 3.77Å; F123-Y350 AromaticContact CZ-CD1 3.74Å; F123-Y350 HydrophobicContact CZ-CD1 3.74Å; F123-Y350 AromaticContact CZ-CE1 3.78Å; F123-Y350 HydrophobicContact CZ-CE1 3.78Å; F123-L352 HydrophobicContact CE1-CD1 4.19Å; F123-L352 HydrophobicContact CE2-CD1 3.69Å; F123-L352 HydrophobicContact CE2-CG 4.36Å; F123-L352 HydrophobicContact CZ-CD1 3.46Å; F123-L352 VanDerWaalsContact CZ-CD1 3.46Å; F123-L352 HydrophobicContact CZ-CG 3.85Å
124	K	92.8	Very high	96.4	Very high	136 Å²	136	28.6 Å²	28.6	59%	0.591	14%	0.142	S	C	*	.	S	Bend	trans	-86	-44	177.6	-67	-177.6	176.4	178.2	0	112	D245 L249	K124-D245 PolarHBondContact N-OD1 3.25Å; K124-D245 PolarHBondContact N-OD2 2.67Å; K124-L249 HydrophobicContact CD-CD2 4.41Å
125	H	94.3	Very high	96.4	Very high	47 Å²	47	33.2 Å²	33.2	22%	0.218	16%	0.159	C	C	.	.	S	Bend	trans	-131.6	66.2	-176.4	-61.9	-82.8	0	0	0	110.2	S127 F170 D245 S246 I247	H125-S127 PolarHBondContact O-N 3.13Å; H125-F170 HydrophobicContact CB-CB 4.34Å; H125-F170 HydrophobicContact CB-CD1 3.77Å; H125-F170 HydrophobicContact CB-CD2 4.05Å; H125-F170 HydrophobicContact CB-CE1 3.96Å; H125-F170 HydrophobicContact CB-CE2 4.26Å; H125-F170 HydrophobicContact CB-CG 3.78Å; H125-F170 HydrophobicContact CB-CZ 4.2Å; H125-F170 AromaticContact CE1-CE2 3.98Å; H125-F170 AromaticContact CE1-CZ 3.81Å; H125-F170 AromaticContact CG-CE1 3.91Å; H125-F170 AromaticContact CG-CE2 3.96Å; H125-F170 AromaticContact CG-CZ 3.76Å; H125-F170 AromaticContact ND1-CD2 3.75Å; H125-F170 AromaticContact ND1-CE1 3.89Å; H125-F170 AromaticContact ND1-CE2 3.19Å; H125-F170 WeakPolarHBondContact ND1-CE2 3.43Å; H125-F170 AromaticContact ND1-CZ 3.25Å; H125-F170 WeakPolarHBondContact ND1-CZ 3.47Å; H125-D245 VanDerWaalsContact C-OD1 3.3Å; H125-D245 WeakPolarHBondContact CA-OD1 3.42Å; H125-D245 PolarHBondContact N-OD1 3.07Å; H125-S246 WeakPolarHBondContact O-CB 3.48Å; H125-S246 PolarHBondContact O-N 3.46Å; H125-S246 PolarHBondContact O-OG 2.91Å; H125-I247 HydrophobicContact CB-CG1 4.2Å; H125-I247 WeakPolarHBondContact CD2-CD1 3.45Å
126	P	96.2	Very high	96.3	Very high	4 Å²	4	36.2 Å²	36.2	3%	0.026	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	125.7	-173.8	26.6	-34.7	0	0	0	112.2	L120 F123 L128 H177	L120-P126 HydrophobicContact CD1-CB 4.46Å; F123-P126 HydrophobicContact CB-CB 4.03Å; F123-P126 HydrophobicContact CD2-CB 3.95Å; P126-L128 HydrophobicContact CB-CD2 3.93Å; P126-L128 HydrophobicContact CB-CG 4.17Å; P126-H177 PolarHBondContact O-CD2 3.29Å; P126-H177 PolarHBondContact O-NE2 3Å
127	S	97.4	Very high	96.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	130.6	160.1	-70.8	0	0	0	0	109.2	H125 K168 F170 A243 Y244 S246	H125-S127 PolarHBondContact O-N 3.13Å; S127-K168 CarbonylContact C-O 3.51Å; S127-K168 WeakPolarHBondContact CA-O 3.5Å; S127-F170 PolarHBondContact OG-N 3.24Å; S127-A243 WeakPolarHBondContact O-CA 3.26Å; S127-Y244 PolarHBondContact N-O 3.3Å; S127-Y244 PolarHBondContact O-N 3.37Å; S127-Y244 VanDerWaalsContact O-N 3.07Å; S127-Y244 PolarHBondContact OG-OH 3.03Å; S127-S246 WeakPolarHBondContact CB-OG 3.41Å; S127-S246 PolarHBondContact OG-OG 2.93Å
128	L	97.9	Very high	95.9	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	140.3	-166	-52.8	177.9	0	0	0	111.6	N36 I38 L120 P126 L167 K168 L242 A243	N36-L128 HydrophobicContact CB-CD1 3.85Å; I38-L128 HydrophobicContact CD1-CB 3.52Å; I38-L128 HydrophobicContact CG1-CB 4.28Å; I38-L128 HydrophobicContact CG2-CB 4.46Å; I38-L128 HydrophobicContact CG2-CD1 4Å; L120-L128 HydrophobicContact CD1-CD1 3.66Å; L120-L128 HydrophobicContact CD1-CD2 3.45Å; L120-L128 VanDerWaalsContact CD1-CD2 3.45Å; L120-L128 HydrophobicContact CD1-CG 4.2Å; L120-L128 HydrophobicContact CD2-CD2 3.74Å; L120-L128 HydrophobicContact CG-CD2 4.26Å; P126-L128 HydrophobicContact CB-CD2 3.93Å; P126-L128 HydrophobicContact CB-CG 4.17Å; L128-L167 CarbonylContact O-C 3.46Å; L128-L167 WeakPolarHBondContact O-CA 3.34Å; L128-L167 WeakPolarHBondContact O-CD1 3.43Å; L128-K168 HydrophobicContact CB-CB 4.36Å; L128-K168 HydrophobicContact CD1-CD 4.41Å; L128-K168 PolarHBondContact N-O 3.22Å; L128-K168 PolarHBondContact O-N 2.83Å; L128-L242 CarbonylContact C-O 3.57Å; L128-L242 WeakPolarHBondContact CA-O 3.25Å; L128-A243 HydrophobicContact CD2-CB 3.33Å
129	C	98.2	Very high	95.6	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.007	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	118.8	172	-175.2	0	0	0	0	109.8	L167 F201 L242	C129-L167 HydrophobicContact CB-CD1 3.95Å; C129-F201 HydrophobicContact CB-CD1 4.22Å; C129-F201 HydrophobicContact CB-CD2 3.59Å; C129-F201 HydrophobicContact CB-CE1 4.3Å; C129-F201 HydrophobicContact CB-CE2 3.7Å; C129-F201 HydrophobicContact CB-CG 3.86Å; C129-F201 HydrophobicContact CB-CZ 4.05Å; C129-L242 HydrophobicContact CB-CB 4.26Å; C129-L242 PolarHBondContact N-O 2.9Å; C129-L242 PolarHBondContact O-N 2.82Å
130	D	98.1	Very high	95.3	Very high	14 Å²	14	35.4 Å²	35.4	8%	0.075	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	117.1	175.3	-175	-40.1	0	0	0	109.1	I38 V164 T165 G166 S239	I38-D130 HydrophobicContact CD1-CB 3.92Å; I38-D130 HydrophobicContact CG1-CB 4.28Å; D130-V164 CarbonylContact O-C 3.58Å; D130-V164 WeakPolarHBondContact O-CA 3.49Å; D130-T165 PolarHBondContact O-N 3.05Å; D130-T165 PolarHBondContact O-OG1 3Å; D130-T165 PolarHBondContact OD1-OG1 3.24Å; D130-G166 PolarHBondContact N-O 3.3Å; D130-S239 WeakPolarHBondContact OD1-CB 3.33Å; D130-S239 PolarHBondContact OD1-OG 3.44Å
131	L	98	Very high	95	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	105.6	-176.3	-62	165.4	0	0	0	109.5	M133 F162 L163 V164 S239 L240 L242 L382	L131-M133 HydrophobicContact CB-SD 3.91Å; L131-M133 WeakPolarHBondContact O-CG 3.38Å; L131-M133 PolarHBondContact O-N 3.24Å; L131-F162 HydrophobicContact CD2-CD2 3.68Å; L131-F162 HydrophobicContact CD2-CE2 3.85Å; L131-L163 CarbonylContact C-O 3.6Å; L131-L163 WeakPolarHBondContact CA-O 3.4Å; L131-V164 HydrophobicContact CD2-CB 4.36Å; L131-V164 HydrophobicContact CD2-CG2 3.64Å; L131-S239 CarbonylContact O-C 3.55Å; L131-S239 WeakPolarHBondContact O-CA 3.49Å; L131-L240 HydrophobicContact CB-CB 4.4Å; L131-L240 PolarHBondContact N-O 2.92Å; L131-L240 PolarHBondContact O-N 3.28Å; L131-L242 HydrophobicContact CD1-CD1 3.55Å; L131-L242 HydrophobicContact CD1-CG 3.95Å; L131-L382 HydrophobicContact CD1-CD1 3.82Å; L131-L382 HydrophobicContact CD1-CD2 3.55Å; L131-L382 HydrophobicContact CD1-CG 4.34Å
132	K	97.6	Very high	94.9	Very high	32 Å²	32	40 Å²	40	14%	0.139	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	117.5	172.7	-174.6	169.9	-68	-82.5	0	109.4	T137 F162 L163 T165 A237 S239 D357	K132-T137 HydrophobicContact CD-CG2 4.04Å; K132-T137 HydrophobicContact CG-CG2 4.12Å; K132-F162 CarbonylContact O-C 3.47Å; K132-F162 WeakPolarHBondContact O-CA 3.47Å; K132-F162 WeakPolarHBondContact O-CB 3.47Å; K132-L163 PolarHBondContact N-O 3.5Å; K132-L163 PolarHBondContact O-N 2.93Å; K132-T165 HydrophobicContact CB-CG2 3.53Å; K132-T165 HydrophobicContact CD-CG2 4.46Å; K132-A237 HydrophobicContact CD-CB 4.25Å; K132-A237 PolarHBondContact NZ-O 3.28Å; K132-S239 WeakPolarHBondContact CA-OG 3.36Å; K132-D357 IonicContact NZ-OD2 3.48Å
133	M	97.8	Very high	95	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	156.3	-167.7	-58.9	-56.8	-67.7	0	0	112.6	L131 F162 S238 L240 F375 L379	L131-M133 HydrophobicContact CB-SD 3.91Å; L131-M133 WeakPolarHBondContact O-CG 3.38Å; L131-M133 PolarHBondContact O-N 3.24Å; M133-F162 HydrophobicContact CE-CB 4.19Å; M133-F162 HydrophobicContact SD-CB 3.66Å; M133-F162 HydrophobicContact SD-CG 4.42Å; M133-S238 PolarHBondContact N-O 2.81Å; M133-L240 HydrophobicContact CE-CD1 3.81Å; M133-L240 HydrophobicContact CG-CB 4.4Å; M133-L240 HydrophobicContact CG-CD1 4.04Å; M133-L240 HydrophobicContact CG-CG 3.82Å; M133-L240 HydrophobicContact SD-CB 4.38Å; M133-L240 HydrophobicContact SD-CD1 3.75Å; M133-L240 HydrophobicContact SD-CG 4.05Å; M133-F375 HydrophobicContact CB-CD1 4.44Å; M133-F375 HydrophobicContact CB-CD2 3.68Å; M133-F375 HydrophobicContact CB-CE1 4.12Å; M133-F375 HydrophobicContact CB-CE2 3.31Å; M133-F375 HydrophobicContact CB-CG 4.22Å; M133-F375 HydrophobicContact CB-CZ 3.54Å; M133-F375 HydrophobicContact CE-CE1 4.25Å; M133-F375 HydrophobicContact CG-CD2 4.47Å; M133-F375 HydrophobicContact CG-CE1 4.01Å; M133-F375 HydrophobicContact CG-CE2 3.7Å; M133-F375 HydrophobicContact CG-CZ 3.4Å; M133-L379 HydrophobicContact CE-CB 4.2Å
134	G	97	Very high	95	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	109.3	140.3	174.7	0	0	0	0	0	113.4	R136 R157 G161 N374	G134-R136 PolarHBondContact O-N 2.87Å; G134-R157 VanDerWaalsContact O-CG 3.31Å; G134-R157 WeakPolarHBondContact O-CG 3.25Å; G134-G161 CarbonylContact C-O 3.49Å; G134-G161 VanDerWaalsContact C-O 3.23Å; G134-G161 WeakPolarHBondContact CA-O 3.33Å; G134-G161 PolarHBondContact N-O 3.27Å; G134-N374 WeakPolarHBondContact CA-O 3.32Å
135	R	96.8	Very high	95	Very high	97 Å²	97	35.1 Å²	35.1	37%	0.366	19%	0.189	S	C	.	.	S	Bend	trans	-62.4	-22.8	166.4	-62	-176.8	71.3	-168.1	-7.8	112.4	R157 E158 N374 Y377	R135-R157 WeakPolarHBondContact O-CG 3.26Å; R135-E158 PolarHBondContact NE-O 3.4Å; R135-E158 IonicContact NH2-OE1 3.96Å; R135-E158 PolarHBondContact NH2-OE1 3.38Å; R135-E158 VanDerWaalsContact NH2-OE1 3.12Å; R135-N374 WeakPolarHBondContact CA-OD1 3.29Å; R135-N374 PolarHBondContact N-O 3.29Å; R135-N374 PolarHBondContact N-OD1 3.5Å; R135-Y377 HydrophobicContact CG-CD1 3.46Å; R135-Y377 VanDerWaalsContact CG-CD1 3.46Å; R135-Y377 HydrophobicContact CG-CE1 4.01Å; R135-Y377 HydrophobicContact CG-CG 3.93Å
136	R	95.4	Very high	94.9	Very high	62 Å²	62	35.5 Å²	35.5	23%	0.234	19%	0.19	C	C	.	.			trans	-136.7	150	168.3	55.2	175.2	178.9	-173	2.7	110.2	G134 Y138 N374	G134-R136 PolarHBondContact O-N 2.87Å; R136-Y138 HydrophobicContact CB-CD1 4.09Å; R136-Y138 HydrophobicContact CB-CD2 4.46Å; R136-Y138 HydrophobicContact CB-CE1 3.69Å; R136-Y138 HydrophobicContact CB-CE2 4.12Å; R136-Y138 HydrophobicContact CB-CG 4.46Å; R136-N374 VanDerWaalsContact CG-OD1 3.26Å; R136-N374 WeakPolarHBondContact CG-OD1 3.33Å; R136-N374 PolarHBondContact N-OD1 2.93Å; R136-N374 PolarHBondContact O-ND2 3.05Å; R136-N374 PolarHBondContact O-OD1 2.77Å
137	T	94.3	Very high	94.7	Very high	9 Å²	9	37.8 Å²	37.8	6%	0.055	20%	0.202	C	C	.	.	S	Bend	trans	-113.3	-1.9	177.5	49.6	0	0	0	0	112.9	K132 E150 R157 A237	K132-T137 HydrophobicContact CD-CG2 4.04Å; K132-T137 HydrophobicContact CG-CG2 4.12Å; T137-E150 WeakPolarHBondContact CB-OE2 3.44Å; T137-E150 PolarHBondContact OG1-OE2 2.96Å; T137-R157 VanDerWaalsContact CG2-CZ 3.4Å; T137-R157 PolarHBondContact OG1-NH1 3.16Å; T137-A237 HydrophobicContact CG2-CB 4.03Å
138	Y	93.3	Very high	94.6	Very high	53 Å²	53	43.3 Å²	43.3	21%	0.208	23%	0.229	C	C	.	.	S	Bend	trans	-96.3	143.6	170.3	55.3	-95.5	0	0	0	109.3	R136 I147 E150 Y236	R136-Y138 HydrophobicContact CB-CD1 4.09Å; R136-Y138 HydrophobicContact CB-CD2 4.46Å; R136-Y138 HydrophobicContact CB-CE1 3.69Å; R136-Y138 HydrophobicContact CB-CE2 4.12Å; R136-Y138 HydrophobicContact CB-CG 4.46Å; Y138-I147 HydrophobicContact CD1-CG1 4.42Å; Y138-I147 HydrophobicContact CD1-CG2 4.28Å; Y138-I147 HydrophobicContact CD2-CD1 4.3Å; Y138-I147 HydrophobicContact CD2-CG1 3.69Å; Y138-I147 HydrophobicContact CD2-CG2 4.43Å; Y138-I147 HydrophobicContact CE1-CG2 3.97Å; Y138-I147 HydrophobicContact CE2-CD1 4.44Å; Y138-I147 HydrophobicContact CE2-CG1 4.08Å; Y138-I147 HydrophobicContact CE2-CG2 4.11Å; Y138-I147 HydrophobicContact CG-CB 4.43Å; Y138-I147 HydrophobicContact CG-CG1 3.87Å; Y138-I147 HydrophobicContact CG-CG2 4.5Å; Y138-E150 HydrophobicContact CD1-CB 3.89Å; Y138-Y236 WeakPolarHBondContact O-CD1 3.47Å
139	A	90.7	Very high	94.2	Very high	2 Å²	2	43.6 Å²	43.6	2%	0.017	23%	0.231	C	C	.	.			trans	-78.1	160.1	172.9	0	0	0	0	0	110.7	D141 S142 Y236 R360	A139-D141 VanDerWaalsContact CB-OD1 3.22Å; A139-D141 WeakPolarHBondContact CB-OD1 3.15Å; A139-D141 PolarHBondContact O-N 2.89Å; A139-D141 VanDerWaalsContact O-N 3.12Å; A139-S142 PolarHBondContact N-OG 2.68Å; A139-S142 VanDerWaalsContact O-CB 3.26Å; A139-S142 WeakPolarHBondContact O-CB 3.4Å; A139-S142 PolarHBondContact O-N 2.99Å; A139-S142 PolarHBondContact O-OG 2.87Å; A139-Y236 HydrophobicContact CB-CD1 4.41Å; A139-Y236 HydrophobicContact CB-CD2 3.93Å; A139-Y236 HydrophobicContact CB-CE2 4.09Å; A139-Y236 HydrophobicContact CB-CG 4.1Å; A139-R360 HydrophobicContact CB-CG 4.14Å; A139-R360 VanDerWaalsContact CB-NE 3.31Å
140	P	88.9	Confident	93.9	Very high	76 Å²	76	44.3 Å²	44.3	49%	0.494	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-27.9	-176.8	-26.3	35.9	0	0	0	114.7	Y236	P140-Y236 WeakPolarHBondContact CD-OH 3.18Å
141	D	90.3	Very high	93.6	Very high	111 Å²	111	47 Å²	47	59%	0.594	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	6.3	179.7	66	-24.3	0	0	0	114	A139 R360	A139-D141 VanDerWaalsContact CB-OD1 3.22Å; A139-D141 WeakPolarHBondContact CB-OD1 3.15Å; A139-D141 PolarHBondContact O-N 2.89Å; A139-D141 VanDerWaalsContact O-N 3.12Å; D141-R360 IonicContact OD1-CZ 3.92Å; D141-R360 IonicContact OD1-NH2 2.72Å; D141-R360 PolarHBondContact OD1-NH2 2.83Å; D141-R360 IonicContact OD2-CZ 2.92Å; D141-R360 IonicContact OD2-NH2 2.8Å; D141-R360 PolarHBondContact OD2-NH2 2.85Å
142	S	91.5	Very high	93.4	Very high	26 Å²	26	50.6 Å²	50.6	18%	0.182	28%	0.282	C	S	.	.			trans	-67.3	148	179.9	-61.7	0	0	0	0	112.2	A139 I147	A139-S142 PolarHBondContact N-OG 2.68Å; A139-S142 VanDerWaalsContact O-CB 3.26Å; A139-S142 WeakPolarHBondContact O-CB 3.4Å; A139-S142 PolarHBondContact O-N 2.99Å; A139-S142 PolarHBondContact O-OG 2.87Å; S142-I147 WeakPolarHBondContact O-CD1 3.44Å
143	S	93.5	Very high	93.1	Very high	42 Å²	42	50.3 Å²	50.3	29%	0.294	28%	0.281	S	S	.	.			trans	-61	152.2	176.6	67.7	0	0	0	0	111.7	S145 K146 I147 E301	S143-S145 PolarHBondContact O-N 3.17Å; S143-S145 PolarHBondContact OG-OG 3.13Å; S143-K146 PolarHBondContact O-N 3.45Å; S143-K146 VanDerWaalsContact O-N 3.13Å; S143-K146 WeakPolarHBondContact OG-CB 3.23Å; S143-K146 PolarHBondContact OG-N 3.1Å; S143-I147 VanDerWaalsContact O-CG1 3.32Å; S143-I147 WeakPolarHBondContact O-CG1 3.36Å; S143-I147 PolarHBondContact O-N 3.11Å; S143-E301 PolarHBondContact OG-OE1 3.16Å
144	P	94.7	Very high	93	Very high	112 Å²	112	50.6 Å²	50.6	73%	0.727	28%	0.282	S	S	*	.	H	α-helix	trans	-55.5	-37.1	174.7	-27.7	35.7	0	0	0	113.8	I147 M148	P144-I147 PolarHBondContact O-N 2.79Å; P144-M148 WeakPolarHBondContact O-CB 3.45Å; P144-M148 PolarHBondContact O-N 3.28Å
145	S	93.6	Very high	93	Very high	47 Å²	47	58.5 Å²	58.5	33%	0.329	32%	0.317	S	S	.	.	H	α-helix	trans	-65	-45.3	175.5	32.6	0	0	0	0	112	S143 M148 I149 E301	S143-S145 PolarHBondContact O-N 3.17Å; S143-S145 PolarHBondContact OG-OG 3.13Å; S145-M148 PolarHBondContact O-N 3.33Å; S145-I149 VanDerWaalsContact O-CG1 3.28Å; S145-I149 WeakPolarHBondContact O-CG1 3.28Å; S145-I149 PolarHBondContact O-N 3.07Å; S145-E301 VanDerWaalsContact CB-OE1 3.27Å; S145-E301 WeakPolarHBondContact CB-OE1 3.45Å; S145-E301 PolarHBondContact OG-OE1 2.69Å
146	K	90.7	Very high	93	Very high	56 Å²	56	57.7 Å²	57.7	24%	0.243	31%	0.314	C	S	.	.	H	α-helix	trans	-60.6	-45.4	174.3	-177	127.5	-172.7	151.4	0	112	S143 M148 I149 E150	S143-K146 PolarHBondContact O-N 3.45Å; S143-K146 VanDerWaalsContact O-N 3.13Å; S143-K146 WeakPolarHBondContact OG-CB 3.23Å; S143-K146 PolarHBondContact OG-N 3.1Å; K146-M148 VanDerWaalsContact C-N 3.33Å; K146-M148 PolarHBondContact O-N 2.89Å; K146-I149 PolarHBondContact O-N 3.46Å; K146-E150 HydrophobicContact CG-CG 4.46Å; K146-E150 WeakPolarHBondContact O-CB 3.15Å; K146-E150 WeakPolarHBondContact O-CG 3.32Å; K146-E150 PolarHBondContact O-N 2.97Å
147	I	93.8	Very high	93.1	Very high	51 Å²	51	55.4 Å²	55.4	26%	0.262	31%	0.305	S	S	.	.	H	α-helix	trans	-57.6	-49.3	176.6	-67.1	169.5	0	0	0	109.9	Y138 S142 S143 P144 I149 E150 C151	Y138-I147 HydrophobicContact CD1-CG1 4.42Å; Y138-I147 HydrophobicContact CD1-CG2 4.28Å; Y138-I147 HydrophobicContact CD2-CD1 4.3Å; Y138-I147 HydrophobicContact CD2-CG1 3.69Å; Y138-I147 HydrophobicContact CD2-CG2 4.43Å; Y138-I147 HydrophobicContact CE1-CG2 3.97Å; Y138-I147 HydrophobicContact CE2-CD1 4.44Å; Y138-I147 HydrophobicContact CE2-CG1 4.08Å; Y138-I147 HydrophobicContact CE2-CG2 4.11Å; Y138-I147 HydrophobicContact CG-CB 4.43Å; Y138-I147 HydrophobicContact CG-CG1 3.87Å; Y138-I147 HydrophobicContact CG-CG2 4.5Å; S142-I147 WeakPolarHBondContact O-CD1 3.44Å; S143-I147 VanDerWaalsContact O-CG1 3.32Å; S143-I147 WeakPolarHBondContact O-CG1 3.36Å; S143-I147 PolarHBondContact O-N 3.11Å; P144-I147 PolarHBondContact O-N 2.79Å; I147-I149 PolarHBondContact O-N 3.07Å; I147-E150 PolarHBondContact O-N 3.45Å; I147-C151 WeakPolarHBondContact O-CB 3.37Å; I147-C151 PolarHBondContact O-N 3.46Å; I147-C151 PolarHBondContact O-SG 3.34Å
148	M	94	Very high	93.2	Very high	116 Å²	116	61 Å²	61	57%	0.571	33%	0.331	S	S	*	.	H	α-helix	trans	-58.7	-46.5	178.7	-177.5	-175.9	68	0	0	112	P144 S145 K146 C151 A152 M297	P144-M148 WeakPolarHBondContact O-CB 3.45Å; P144-M148 PolarHBondContact O-N 3.28Å; S145-M148 PolarHBondContact O-N 3.33Å; K146-M148 VanDerWaalsContact C-N 3.33Å; K146-M148 PolarHBondContact O-N 2.89Å; M148-C151 PolarHBondContact O-N 3.05Å; M148-A152 WeakPolarHBondContact O-CB 3.49Å; M148-A152 PolarHBondContact O-N 3.37Å; M148-M297 HydrophobicContact CE-CE 4.47Å
149	I	90.8	Very high	93.4	Very high	8 Å²	8	63.4 Å²	63.4	4%	0.041	34%	0.344	C	S	.	.	H	α-helix	trans	-60.6	-49.1	177.9	-72	165.7	0	0	0	110.8	S145 K146 I147 C151 A152 K153 I294 M297	S145-I149 VanDerWaalsContact O-CG1 3.28Å; S145-I149 WeakPolarHBondContact O-CG1 3.28Å; S145-I149 PolarHBondContact O-N 3.07Å; K146-I149 PolarHBondContact O-N 3.46Å; I147-I149 PolarHBondContact O-N 3.07Å; I149-C151 PolarHBondContact O-N 3.41Å; I149-A152 PolarHBondContact O-N 3.21Å; I149-K153 WeakPolarHBondContact O-CG 3.48Å; I149-K153 PolarHBondContact O-N 2.9Å; I149-I294 HydrophobicContact CG2-CB 4.39Å; I149-I294 HydrophobicContact CG2-CG1 4.3Å; I149-I294 HydrophobicContact CG2-CG2 3.49Å; I149-I294 VanDerWaalsContact CG2-CG2 3.49Å; I149-M297 HydrophobicContact CD1-CB 3.74Å; I149-M297 HydrophobicContact CD1-CE 3.85Å; I149-M297 HydrophobicContact CD1-SD 4.32Å; I149-M297 HydrophobicContact CG1-CE 4.14Å
150	E	91.5	Very high	93.7	Very high	16 Å²	16	63.3 Å²	63.3	8%	0.075	34%	0.343	C	S	.	.	H	α-helix	trans	-64.3	-39.4	-179.4	-75.6	-58.9	144.1	0	0	112.6	T137 Y138 K146 I147 A152 K153 R157	T137-E150 WeakPolarHBondContact CB-OE2 3.44Å; T137-E150 PolarHBondContact OG1-OE2 2.96Å; Y138-E150 HydrophobicContact CD1-CB 3.89Å; K146-E150 HydrophobicContact CG-CG 4.46Å; K146-E150 WeakPolarHBondContact O-CB 3.15Å; K146-E150 WeakPolarHBondContact O-CG 3.32Å; K146-E150 PolarHBondContact O-N 2.97Å; I147-E150 PolarHBondContact O-N 3.45Å; E150-A152 VanDerWaalsContact C-N 3.32Å; E150-K153 PolarHBondContact O-N 3.48Å; E150-K153 IonicContact OE1-NZ 3.31Å; E150-K153 PolarHBondContact OE1-NZ 3.22Å; E150-K153 IonicContact OE2-NZ 2.7Å; E150-R157 PolarHBondContact O-NH1 2.89Å; E150-R157 IonicContact OE2-NH1 3.19Å; E150-R157 PolarHBondContact OE2-NH1 3.01Å
151	C	92.3	Very high	94.2	Very high	69 Å²	69	59.7 Å²	59.7	47%	0.466	32%	0.32	S	S	.	.	H	α-helix	trans	-64.2	-36.5	173.8	-72.3	0	0	0	0	112.2	I147 M148 I149 K153	I147-C151 WeakPolarHBondContact O-CB 3.37Å; I147-C151 PolarHBondContact O-N 3.46Å; I147-C151 PolarHBondContact O-SG 3.34Å; M148-C151 PolarHBondContact O-N 3.05Å; I149-C151 PolarHBondContact O-N 3.41Å; C151-K153 VanDerWaalsContact C-N 3.31Å; C151-K153 PolarHBondContact O-N 2.89Å
152	A	93.7	Very high	94.5	Very high	76 Å²	76	54.4 Å²	54.4	63%	0.628	29%	0.291	S	S	*	.	H	α-helix	trans	-71.2	-23.5	-179.3	0	0	0	0	0	113.6	M148 I149 E150 Y154	M148-A152 WeakPolarHBondContact O-CB 3.49Å; M148-A152 PolarHBondContact O-N 3.37Å; I149-A152 PolarHBondContact O-N 3.21Å; E150-A152 VanDerWaalsContact C-N 3.32Å; A152-Y154 PolarHBondContact O-N 3.27Å
153	K	91.7	Very high	94.8	Very high	27 Å²	27	53.3 Å²	53.3	12%	0.117	28%	0.283	C	S	.	.	H	α-helix	trans	-64.2	-36.3	-178.1	-74.8	174.8	-178.6	177.2	0	113.3	I149 E150 C151 R186 I294 E298	I149-K153 WeakPolarHBondContact O-CG 3.48Å; I149-K153 PolarHBondContact O-N 2.9Å; E150-K153 PolarHBondContact O-N 3.48Å; E150-K153 IonicContact OE1-NZ 3.31Å; E150-K153 PolarHBondContact OE1-NZ 3.22Å; E150-K153 IonicContact OE2-NZ 2.7Å; C151-K153 VanDerWaalsContact C-N 3.31Å; C151-K153 PolarHBondContact O-N 2.89Å; K153-R186 WeakPolarHBondContact O-CD 3.38Å; K153-R186 WeakPolarHBondContact O-CG 3.46Å; K153-R186 PolarHBondContact O-NE 2.77Å; K153-R186 VanDerWaalsContact O-NE 3.13Å; K153-I294 HydrophobicContact CG-CD1 4.32Å; K153-E298 WeakPolarHBondContact CE-OE1 3.09Å; K153-E298 IonicContact NZ-OE1 3.12Å; K153-E298 PolarHBondContact NZ-OE1 2.83Å
154	Y	95.4	Very high	95	Very high	7 Å²	7	51.4 Å²	51.4	3%	0.027	27%	0.27	C	S	.	.			trans	-151.9	103.8	-176.4	-173.4	-134.6	0	0	0	112.4	A152 W156 R157 I160 F162 L163 R186 L188	A152-Y154 PolarHBondContact O-N 3.27Å; Y154-W156 HydrophobicContact CE1-CB 4.15Å; Y154-W156 HydrophobicContact CE2-CB 4.15Å; Y154-W156 PolarHBondContact O-N 2.91Å; Y154-W156 VanDerWaalsContact O-N 3.17Å; Y154-R157 HydrophobicContact CD1-CB 3.7Å; Y154-R157 HydrophobicContact CG-CB 4.39Å; Y154-R157 WeakPolarHBondContact O-CB 3.49Å; Y154-R157 PolarHBondContact O-N 2.96Å; Y154-R157 VanDerWaalsContact O-N 3.17Å; Y154-I160 HydrophobicContact CE1-CD1 4.35Å; Y154-I160 WeakPolarHBondContact OH-CD1 3.45Å; Y154-F162 WeakPolarHBondContact CE1-O 3.43Å; Y154-L163 HydrophobicContact CD1-CB 3.87Å; Y154-L163 HydrophobicContact CD1-CD1 3.96Å; Y154-L163 HydrophobicContact CD1-CG 4.36Å; Y154-L163 HydrophobicContact CD2-CD1 3.98Å; Y154-L163 HydrophobicContact CE1-CB 4.14Å; Y154-L163 HydrophobicContact CE1-CD1 4.06Å; Y154-L163 HydrophobicContact CE2-CD1 4.07Å; Y154-L163 HydrophobicContact CG-CB 4.48Å; Y154-L163 HydrophobicContact CG-CD1 3.92Å; Y154-L163 HydrophobicContact CG-CD2 4.47Å; Y154-R186 HydrophobicContact CD2-CB 4.31Å; Y154-R186 HydrophobicContact CD2-CG 4.31Å; Y154-R186 WeakPolarHBondContact CE2-O 3.43Å; Y154-L188 VanDerWaalsContact CE2-O 3.23Å; Y154-L188 WeakPolarHBondContact CE2-O 3.38Å; Y154-L188 PolarHBondContact OH-O 2.84Å
155	K	95.3	Very high	95.1	Very high	166 Å²	166	46.5 Å²	46.5	72%	0.722	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-36.5	-176.5	-179	-177	174.5	-173.3	0	113.6
156	W	97.3	Very high	95.2	Very high	79 Å²	79	44.3 Å²	44.3	30%	0.299	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	6.1	-172.7	-54.3	112.2	0	0	0	113.7	Y154 E158 E159 I160 N189 P190	Y154-W156 HydrophobicContact CE1-CB 4.15Å; Y154-W156 HydrophobicContact CE2-CB 4.15Å; Y154-W156 PolarHBondContact O-N 2.91Å; Y154-W156 VanDerWaalsContact O-N 3.17Å; W156-E158 VanDerWaalsContact C-N 3.33Å; W156-E158 PolarHBondContact O-N 2.95Å; W156-E159 PolarHBondContact O-N 2.81Å; W156-I160 HydrophobicContact CB-CD1 3.7Å; W156-I160 HydrophobicContact CB-CG1 4.32Å; W156-I160 PolarHBondContact O-N 3.48Å; W156-N189 HydrophobicContact CD2-CB 4.13Å; W156-N189 HydrophobicContact CG-CB 4.08Å; W156-N189 HydrophobicContact CZ2-CB 4.26Å; W156-N189 VanDerWaalsContact NE1-CB 3.33Å; W156-P190 HydrophobicContact CD2-CG 4.34Å; W156-P190 HydrophobicContact CE3-CG 3.89Å; W156-P190 HydrophobicContact CZ3-CG 4.38Å
157	R	97.1	Very high	95.4	Very high	14 Å²	14	41.6 Å²	41.6	5%	0.053	21%	0.211	C	C	.	.	H	α-helix	trans	-56.9	-44.3	-175.3	-176	169	-77.7	165.2	0.8	112.9	G134 R135 T137 E150 Y154 E159 G161	G134-R157 VanDerWaalsContact O-CG 3.31Å; G134-R157 WeakPolarHBondContact O-CG 3.25Å; R135-R157 WeakPolarHBondContact O-CG 3.26Å; T137-R157 VanDerWaalsContact CG2-CZ 3.4Å; T137-R157 PolarHBondContact OG1-NH1 3.16Å; E150-R157 PolarHBondContact O-NH1 2.89Å; E150-R157 IonicContact OE2-NH1 3.19Å; E150-R157 PolarHBondContact OE2-NH1 3.01Å; Y154-R157 HydrophobicContact CD1-CB 3.7Å; Y154-R157 HydrophobicContact CG-CB 4.39Å; Y154-R157 WeakPolarHBondContact O-CB 3.49Å; Y154-R157 PolarHBondContact O-N 2.96Å; Y154-R157 VanDerWaalsContact O-N 3.17Å; R157-E159 VanDerWaalsContact C-N 3.3Å; R157-E159 PolarHBondContact O-N 3.45Å; R157-G161 VanDerWaalsContact O-CA 3.24Å; R157-G161 WeakPolarHBondContact O-CA 3.48Å; R157-G161 PolarHBondContact O-N 2.91Å
158	E	96.7	Very high	95.5	Very high	128 Å²	128	40.3 Å²	40.3	60%	0.598	20%	0.203	S	C	*	.	H	α-helix	trans	-67.7	-33	-176.8	-176.4	173.2	179	0	0	112.3	R135 W156	R135-E158 PolarHBondContact NE-O 3.4Å; R135-E158 IonicContact NH2-OE1 3.96Å; R135-E158 PolarHBondContact NH2-OE1 3.38Å; R135-E158 VanDerWaalsContact NH2-OE1 3.12Å; W156-E158 VanDerWaalsContact C-N 3.33Å; W156-E158 PolarHBondContact O-N 2.95Å
159	E	97.5	Very high	95.6	Very high	102 Å²	102	34.8 Å²	34.8	48%	0.477	18%	0.176	S	C	.	.	H	α-helix	trans	-82.1	-44.7	-178.3	-171.8	175.5	164.4	0	0	112.1	W156 R157 P190 Y377	W156-E159 PolarHBondContact O-N 2.81Å; R157-E159 VanDerWaalsContact C-N 3.3Å; R157-E159 PolarHBondContact O-N 3.45Å; E159-P190 HydrophobicContact CG-CG 4Å; E159-P190 WeakPolarHBondContact OE1-CG 3.16Å; E159-Y377 WeakPolarHBondContact O-CE1 3.47Å; E159-Y377 PolarHBondContact O-OH 3.4Å
160	I	98.2	Very high	95.8	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-81.5	-34.5	-179.2	-67.1	169.2	0	0	0	111.5	Y154 W156 F162 P190 I193 Y381	Y154-I160 HydrophobicContact CE1-CD1 4.35Å; Y154-I160 WeakPolarHBondContact OH-CD1 3.45Å; W156-I160 HydrophobicContact CB-CD1 3.7Å; W156-I160 HydrophobicContact CB-CG1 4.32Å; W156-I160 PolarHBondContact O-N 3.48Å; I160-F162 VanDerWaalsContact C-N 3.3Å; I160-F162 HydrophobicContact CG2-CD1 3.9Å; I160-F162 HydrophobicContact CG2-CD2 4.02Å; I160-F162 HydrophobicContact CG2-CE1 3.77Å; I160-F162 HydrophobicContact CG2-CE2 3.9Å; I160-F162 HydrophobicContact CG2-CG 4.03Å; I160-F162 HydrophobicContact CG2-CZ 3.76Å; I160-F162 WeakPolarHBondContact CG2-O 3.44Å; I160-F162 PolarHBondContact O-N 3.48Å; I160-P190 HydrophobicContact CD1-CG 4.35Å; I160-P190 HydrophobicContact CG1-CG 4.18Å; I160-I193 HydrophobicContact CD1-CB 4.44Å; I160-I193 HydrophobicContact CG2-CG1 4.39Å; I160-Y381 HydrophobicContact CB-CE1 4.46Å; I160-Y381 HydrophobicContact CG1-CE1 4.46Å; I160-Y381 HydrophobicContact CG2-CD1 4.24Å; I160-Y381 HydrophobicContact CG2-CE1 4.14Å; I160-Y381 VanDerWaalsContact O-CD1 3.24Å; I160-Y381 WeakPolarHBondContact O-CD1 3.41Å
161	G	98.2	Very high	95.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	79.6	3.5	-178.8	0	0	0	0	0	115.5	G134 R157 G378	G134-G161 CarbonylContact C-O 3.49Å; G134-G161 VanDerWaalsContact C-O 3.23Å; G134-G161 WeakPolarHBondContact CA-O 3.33Å; G134-G161 PolarHBondContact N-O 3.27Å; R157-G161 VanDerWaalsContact O-CA 3.24Å; R157-G161 WeakPolarHBondContact O-CA 3.48Å; R157-G161 PolarHBondContact O-N 2.91Å; G161-G378 WeakPolarHBondContact O-CA 3.44Å
162	F	98.2	Very high	95.4	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	167.9	171.9	60.7	-96.4	0	0	0	111.3	L131 K132 M133 Y154 I160 I193 Y381 L382 L385	L131-F162 HydrophobicContact CD2-CD2 3.68Å; L131-F162 HydrophobicContact CD2-CE2 3.85Å; K132-F162 CarbonylContact O-C 3.47Å; K132-F162 WeakPolarHBondContact O-CA 3.47Å; K132-F162 WeakPolarHBondContact O-CB 3.47Å; M133-F162 HydrophobicContact CE-CB 4.19Å; M133-F162 HydrophobicContact SD-CB 3.66Å; M133-F162 HydrophobicContact SD-CG 4.42Å; Y154-F162 WeakPolarHBondContact CE1-O 3.43Å; I160-F162 VanDerWaalsContact C-N 3.3Å; I160-F162 HydrophobicContact CG2-CD1 3.9Å; I160-F162 HydrophobicContact CG2-CD2 4.02Å; I160-F162 HydrophobicContact CG2-CE1 3.77Å; I160-F162 HydrophobicContact CG2-CE2 3.9Å; I160-F162 HydrophobicContact CG2-CG 4.03Å; I160-F162 HydrophobicContact CG2-CZ 3.76Å; I160-F162 WeakPolarHBondContact CG2-O 3.44Å; I160-F162 PolarHBondContact O-N 3.48Å; F162-I193 HydrophobicContact CE2-CD1 3.93Å; F162-I193 HydrophobicContact CE2-CG1 3.97Å; F162-I193 HydrophobicContact CZ-CD1 4.47Å; F162-I193 HydrophobicContact CZ-CG1 4.02Å; F162-Y381 AromaticContact CE1-CD1 3.85Å; F162-Y381 HydrophobicContact CE1-CD1 3.85Å; F162-Y381 HydrophobicContact CZ-CD1 4.48Å; F162-L382 HydrophobicContact CD1-CB 4.4Å; F162-L382 HydrophobicContact CE1-CB 3.96Å; F162-L382 HydrophobicContact CE1-CD1 4.12Å; F162-L382 HydrophobicContact CE2-CD1 4.41Å; F162-L382 HydrophobicContact CZ-CD1 3.9Å; F162-L385 HydrophobicContact CE1-CD1 4.34Å; F162-L385 HydrophobicContact CZ-CD1 3.8Å
163	L	97.7	Very high	95.1	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	127.9	173.6	167.2	63.7	0	0	0	109.4	L131 K132 Y154 T165 I182 G185 R186	L131-L163 CarbonylContact C-O 3.6Å; L131-L163 WeakPolarHBondContact CA-O 3.4Å; K132-L163 PolarHBondContact N-O 3.5Å; K132-L163 PolarHBondContact O-N 2.93Å; Y154-L163 HydrophobicContact CD1-CB 3.87Å; Y154-L163 HydrophobicContact CD1-CD1 3.96Å; Y154-L163 HydrophobicContact CD1-CG 4.36Å; Y154-L163 HydrophobicContact CD2-CD1 3.98Å; Y154-L163 HydrophobicContact CE1-CB 4.14Å; Y154-L163 HydrophobicContact CE1-CD1 4.06Å; Y154-L163 HydrophobicContact CE2-CD1 4.07Å; Y154-L163 HydrophobicContact CG-CB 4.48Å; Y154-L163 HydrophobicContact CG-CD1 3.92Å; Y154-L163 HydrophobicContact CG-CD2 4.47Å; L163-T165 HydrophobicContact CD2-CG2 4.16Å; L163-T165 HydrophobicContact CG-CG2 4.08Å; L163-T165 PolarHBondContact O-N 3.46Å; L163-I182 HydrophobicContact CD2-CG1 4.46Å; L163-G185 VanDerWaalsContact CD1-C 3.47Å; L163-G185 WeakPolarHBondContact CD1-O 3.43Å; L163-R186 HydrophobicContact CD1-CG 4.04Å; L163-R186 HydrophobicContact CD2-CG 4.27Å
164	V	97.4	Very high	94.9	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	112.7	165.2	-177.8	0	0	0	0	107.6	D130 L131 L167 G185 L188 I193	D130-V164 CarbonylContact O-C 3.58Å; D130-V164 WeakPolarHBondContact O-CA 3.49Å; L131-V164 HydrophobicContact CD2-CB 4.36Å; L131-V164 HydrophobicContact CD2-CG2 3.64Å; V164-L167 HydrophobicContact CG1-CB 4.12Å; V164-G185 VanDerWaalsContact O-CA 3.25Å; V164-G185 WeakPolarHBondContact O-CA 3.41Å; V164-L188 HydrophobicContact CB-CD1 4.18Å; V164-L188 HydrophobicContact CG2-CD1 3.8Å; V164-I193 HydrophobicContact CG2-CD1 3.99Å
165	T	95.7	Very high	94.7	Very high	10 Å²	10	46.4 Å²	46.4	6%	0.061	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-18.1	179.4	69	0	0	0	0	113.2	D130 K132 L163 I182	D130-T165 PolarHBondContact O-N 3.05Å; D130-T165 PolarHBondContact O-OG1 3Å; D130-T165 PolarHBondContact OD1-OG1 3.24Å; K132-T165 HydrophobicContact CB-CG2 3.53Å; K132-T165 HydrophobicContact CD-CG2 4.46Å; L163-T165 HydrophobicContact CD2-CG2 4.16Å; L163-T165 HydrophobicContact CG-CG2 4.08Å; L163-T165 PolarHBondContact O-N 3.46Å; T165-I182 WeakPolarHBondContact O-CA 3.31Å; T165-I182 PolarHBondContact O-N 2.64Å
166	G	95.7	Very high	94.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	146.3	172.8	0	0	0	0	0	109.9	I38 D130 F180	I38-G166 WeakPolarHBondContact O-CA 3.34Å; D130-G166 PolarHBondContact N-O 3.3Å; G166-F180 WeakPolarHBondContact CA-O 3.13Å
167	L	96.2	Very high	94.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	127.8	176.3	175.5	67.3	0	0	0	108.2	L128 C129 V164 V169 T179 F180 F184 L200 F201	L128-L167 CarbonylContact O-C 3.46Å; L128-L167 WeakPolarHBondContact O-CA 3.34Å; L128-L167 WeakPolarHBondContact O-CD1 3.43Å; C129-L167 HydrophobicContact CB-CD1 3.95Å; V164-L167 HydrophobicContact CG1-CB 4.12Å; L167-V169 HydrophobicContact CD1-CG2 3.82Å; L167-V169 HydrophobicContact CD2-CG2 4.32Å; L167-V169 HydrophobicContact CG-CG2 3.89Å; L167-T179 CarbonylContact O-C 3.55Å; L167-T179 VanDerWaalsContact O-CA 3.27Å; L167-T179 WeakPolarHBondContact O-CA 3.23Å; L167-F180 HydrophobicContact CB-CB 4.18Å; L167-F180 HydrophobicContact CB-CD2 4.2Å; L167-F180 HydrophobicContact CD2-CD2 3.77Å; L167-F180 HydrophobicContact CD2-CE2 4.29Å; L167-F180 HydrophobicContact CD2-CG 4.42Å; L167-F180 HydrophobicContact CG-CD2 3.97Å; L167-F180 PolarHBondContact N-O 3.38Å; L167-F180 PolarHBondContact O-N 3.47Å; L167-F184 HydrophobicContact CD2-CE1 4.03Å; L167-L200 HydrophobicContact CD2-CB 4.45Å; L167-L200 HydrophobicContact CD2-CD2 3.7Å; L167-L200 HydrophobicContact CD2-CG 3.98Å; L167-F201 HydrophobicContact CD1-CB 3.6Å; L167-F201 HydrophobicContact CD1-CD2 3.65Å; L167-F201 HydrophobicContact CD1-CG 4Å
168	K	95.9	Very high	94.2	Very high	24 Å²	24	43.3 Å²	43.3	10%	0.104	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	117.3	175.7	179.1	179.3	178.3	-176.7	0	107.6	P35 N36 I38 S127 L128 H177 I178	P35-K168 PolarHBondContact O-NZ 2.97Å; N36-K168 PolarHBondContact OD1-NZ 3.2Å; I38-K168 HydrophobicContact CG2-CB 3.6Å; I38-K168 HydrophobicContact CG2-CD 3.86Å; I38-K168 HydrophobicContact CG2-CG 4.37Å; S127-K168 CarbonylContact C-O 3.51Å; S127-K168 WeakPolarHBondContact CA-O 3.5Å; L128-K168 HydrophobicContact CB-CB 4.36Å; L128-K168 HydrophobicContact CD1-CD 4.41Å; L128-K168 PolarHBondContact N-O 3.22Å; L128-K168 PolarHBondContact O-N 2.83Å; K168-H177 VanDerWaalsContact CE-CD2 3.46Å; K168-H177 WeakPolarHBondContact CE-CD2 3.4Å; K168-H177 HydrophobicContact CG-CB 4.04Å; K168-I178 CarbonylContact C-O 3.46Å; K168-I178 WeakPolarHBondContact CA-O 3.22Å
169	V	95.5	Very high	94	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	127.6	-176.1	-175.5	0	0	0	0	108.6	L167 Y171 H177 I178	L167-V169 HydrophobicContact CD1-CG2 3.82Å; L167-V169 HydrophobicContact CD2-CG2 4.32Å; L167-V169 HydrophobicContact CG-CG2 3.89Å; V169-Y171 HydrophobicContact CB-CE2 3.84Å; V169-Y171 HydrophobicContact CG1-CD2 4.31Å; V169-Y171 HydrophobicContact CG1-CE2 3.78Å; V169-Y171 WeakPolarHBondContact O-CD2 3.39Å; V169-H177 CarbonylContact O-C 3.58Å; V169-H177 WeakPolarHBondContact O-CA 3.27Å; V169-I178 PolarHBondContact N-O 3.16Å; V169-I178 PolarHBondContact O-N 2.82Å
170	F	94	Very high	93.9	Very high	5 Å²	5	37.9 Å²	37.9	2%	0.022	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	131.5	172.8	-178.8	-100.9	0	0	0	110.5	H125 S127 P172 N175 E176 H177 S246 I247	H125-F170 HydrophobicContact CB-CB 4.34Å; H125-F170 HydrophobicContact CB-CD1 3.77Å; H125-F170 HydrophobicContact CB-CD2 4.05Å; H125-F170 HydrophobicContact CB-CE1 3.96Å; H125-F170 HydrophobicContact CB-CE2 4.26Å; H125-F170 HydrophobicContact CB-CG 3.78Å; H125-F170 HydrophobicContact CB-CZ 4.2Å; H125-F170 AromaticContact CE1-CE2 3.98Å; H125-F170 AromaticContact CE1-CZ 3.81Å; H125-F170 AromaticContact CG-CE1 3.91Å; H125-F170 AromaticContact CG-CE2 3.96Å; H125-F170 AromaticContact CG-CZ 3.76Å; H125-F170 AromaticContact ND1-CD2 3.75Å; H125-F170 AromaticContact ND1-CE1 3.89Å; H125-F170 AromaticContact ND1-CE2 3.19Å; H125-F170 WeakPolarHBondContact ND1-CE2 3.43Å; H125-F170 AromaticContact ND1-CZ 3.25Å; H125-F170 WeakPolarHBondContact ND1-CZ 3.47Å; S127-F170 PolarHBondContact OG-N 3.24Å; F170-P172 HydrophobicContact CD1-CG 4.06Å; F170-P172 HydrophobicContact CE1-CB 4.21Å; F170-P172 HydrophobicContact CE1-CG 4.02Å; F170-P172 WeakPolarHBondContact O-CD 3.5Å; F170-N175 WeakPolarHBondContact CZ-OD1 3.46Å; F170-E176 WeakPolarHBondContact CA-O 3.23Å; F170-E176 WeakPolarHBondContact CD2-O 3.47Å; F170-H177 AromaticContact CD2-CE1 3.54Å; F170-H177 AromaticContact CD2-CG 4Å; F170-H177 AromaticContact CD2-ND1 3.7Å; F170-H177 AromaticContact CD2-NE2 3.77Å; F170-S246 WeakPolarHBondContact CB-OG 3.37Å; F170-I247 HydrophobicContact CE1-CD1 3.84Å; F170-I247 HydrophobicContact CE1-CG1 3.91Å; F170-I247 HydrophobicContact CZ-CD1 4.2Å
171	Y	89.9	Confident	93.6	Very high	26 Å²	26	41.6 Å²	41.6	10%	0.102	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	104.5	177.2	-72.6	-94.1	0	0	0	109.4	V169 D173 I174 N175 E176 I178 L200 P204	V169-Y171 HydrophobicContact CB-CE2 3.84Å; V169-Y171 HydrophobicContact CG1-CD2 4.31Å; V169-Y171 HydrophobicContact CG1-CE2 3.78Å; V169-Y171 WeakPolarHBondContact O-CD2 3.39Å; Y171-D173 PolarHBondContact O-N 3.37Å; Y171-I174 PolarHBondContact O-N 2.85Å; Y171-N175 PolarHBondContact O-N 2.8Å; Y171-E176 PolarHBondContact N-O 2.98Å; Y171-E176 PolarHBondContact O-N 3.42Å; Y171-I178 HydrophobicContact CD2-CB 4.23Å; Y171-I178 HydrophobicContact CD2-CD1 3.69Å; Y171-I178 HydrophobicContact CD2-CG1 3.72Å; Y171-I178 HydrophobicContact CE2-CB 3.89Å; Y171-I178 HydrophobicContact CE2-CD1 3.54Å; Y171-I178 HydrophobicContact CE2-CG1 3.77Å; Y171-I178 HydrophobicContact CG-CD1 4.45Å; Y171-L200 WeakPolarHBondContact OH-CD1 3.24Å; Y171-P204 HydrophobicContact CD1-CG 4.35Å; Y171-P204 HydrophobicContact CE1-CG 4.41Å
172	P	86.8	Confident	93.3	Very high	66 Å²	66	43 Å²	43	43%	0.429	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-34.4	-177.4	-27.2	35.5	0	0	0	114	F170 I174 N175	F170-P172 HydrophobicContact CD1-CG 4.06Å; F170-P172 HydrophobicContact CE1-CB 4.21Å; F170-P172 HydrophobicContact CE1-CG 4.02Å; F170-P172 WeakPolarHBondContact O-CD 3.5Å; P172-I174 VanDerWaalsContact C-N 3.27Å; P172-I174 PolarHBondContact O-N 2.82Å; P172-N175 PolarHBondContact O-N 3.47Å
173	D	85.8	Confident	93	Very high	149 Å²	149	44 Å²	44	80%	0.797	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-31.6	-176.1	-59.2	-26.9	0	0	0	113	Y171	Y171-D173 PolarHBondContact O-N 3.37Å
174	I	88.6	Confident	92.9	Very high	93 Å²	93	45.8 Å²	45.8	48%	0.477	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108	-2.8	176.7	61.4	169.1	0	0	0	112.7	Y171 P172 E176	Y171-I174 PolarHBondContact O-N 2.85Å; P172-I174 VanDerWaalsContact C-N 3.27Å; P172-I174 PolarHBondContact O-N 2.82Å; I174-E176 HydrophobicContact CD1-CB 3.98Å; I174-E176 HydrophobicContact CG1-CB 4.05Å; I174-E176 PolarHBondContact O-N 3.37Å
175	N	90.6	Very high	92.8	Very high	108 Å²	108	45.7 Å²	45.7	58%	0.578	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	37.4	-177.1	-169.9	46.3	0	0	0	113.7	F170 Y171 P172	F170-N175 WeakPolarHBondContact CZ-OD1 3.46Å; Y171-N175 PolarHBondContact O-N 2.8Å; P172-N175 PolarHBondContact O-N 3.47Å
176	E	92.4	Very high	92.8	Very high	89 Å²	89	47 Å²	47	42%	0.416	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	159.1	-176.4	-73.4	-176.3	-178.8	0	0	112.3	F170 Y171 I174	F170-E176 WeakPolarHBondContact CA-O 3.23Å; F170-E176 WeakPolarHBondContact CD2-O 3.47Å; Y171-E176 PolarHBondContact N-O 2.98Å; Y171-E176 PolarHBondContact O-N 3.42Å; I174-E176 HydrophobicContact CD1-CB 3.98Å; I174-E176 HydrophobicContact CG1-CB 4.05Å; I174-E176 PolarHBondContact O-N 3.37Å
177	H	93.3	Very high	92.8	Very high	65 Å²	65	50.4 Å²	50.4	30%	0.301	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	132.2	170	-65.7	86.5	0	0	0	110	P126 K168 V169 F170	P126-H177 PolarHBondContact O-CD2 3.29Å; P126-H177 PolarHBondContact O-NE2 3Å; K168-H177 VanDerWaalsContact CE-CD2 3.46Å; K168-H177 WeakPolarHBondContact CE-CD2 3.4Å; K168-H177 HydrophobicContact CG-CB 4.04Å; V169-H177 CarbonylContact O-C 3.58Å; V169-H177 WeakPolarHBondContact O-CA 3.27Å; F170-H177 AromaticContact CD2-CE1 3.54Å; F170-H177 AromaticContact CD2-CG 4Å; F170-H177 AromaticContact CD2-ND1 3.7Å; F170-H177 AromaticContact CD2-NE2 3.77Å
178	I	93.7	Very high	92.8	Very high	39 Å²	39	50.5 Å²	50.5	20%	0.2	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	128.3	166.7	-55	-177.5	0	0	0	107.8	K168 V169 Y171 F180	K168-I178 CarbonylContact C-O 3.46Å; K168-I178 WeakPolarHBondContact CA-O 3.22Å; V169-I178 PolarHBondContact N-O 3.16Å; V169-I178 PolarHBondContact O-N 2.82Å; Y171-I178 HydrophobicContact CD2-CB 4.23Å; Y171-I178 HydrophobicContact CD2-CD1 3.69Å; Y171-I178 HydrophobicContact CD2-CG1 3.72Å; Y171-I178 HydrophobicContact CE2-CB 3.89Å; Y171-I178 HydrophobicContact CE2-CD1 3.54Å; Y171-I178 HydrophobicContact CE2-CG1 3.77Å; Y171-I178 HydrophobicContact CG-CD1 4.45Å; I178-F180 HydrophobicContact CB-CE2 4.24Å; I178-F180 HydrophobicContact CB-CZ 4.46Å; I178-F180 HydrophobicContact CG2-CD2 4.39Å; I178-F180 HydrophobicContact CG2-CE1 4.22Å; I178-F180 HydrophobicContact CG2-CE2 3.62Å; I178-F180 HydrophobicContact CG2-CZ 3.51Å
179	T	93.6	Very high	92.9	Very high	81 Å²	81	51.2 Å²	51.2	50%	0.497	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	133.1	-180	-53.6	0	0	0	0	110.3	L167	L167-T179 CarbonylContact O-C 3.55Å; L167-T179 VanDerWaalsContact O-CA 3.27Å; L167-T179 WeakPolarHBondContact O-CA 3.23Å
180	F	93.8	Very high	93	Very high	36 Å²	36	52.9 Å²	52.9	16%	0.158	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	132	174.5	-50.1	-96.8	0	0	0	108.8	G166 L167 I178 F184 L200	G166-F180 WeakPolarHBondContact CA-O 3.13Å; L167-F180 HydrophobicContact CB-CB 4.18Å; L167-F180 HydrophobicContact CB-CD2 4.2Å; L167-F180 HydrophobicContact CD2-CD2 3.77Å; L167-F180 HydrophobicContact CD2-CE2 4.29Å; L167-F180 HydrophobicContact CD2-CG 4.42Å; L167-F180 HydrophobicContact CG-CD2 3.97Å; L167-F180 PolarHBondContact N-O 3.38Å; L167-F180 PolarHBondContact O-N 3.47Å; I178-F180 HydrophobicContact CB-CE2 4.24Å; I178-F180 HydrophobicContact CB-CZ 4.46Å; I178-F180 HydrophobicContact CG2-CD2 4.39Å; I178-F180 HydrophobicContact CG2-CE1 4.22Å; I178-F180 HydrophobicContact CG2-CE2 3.62Å; I178-F180 HydrophobicContact CG2-CZ 3.51Å; F180-F184 HydrophobicContact CB-CB 3.81Å; F180-F184 HydrophobicContact CB-CD1 3.39Å; F180-F184 HydrophobicContact CB-CD2 4.33Å; F180-F184 HydrophobicContact CB-CE1 3.98Å; F180-F184 HydrophobicContact CB-CG 3.58Å; F180-F184 HydrophobicContact CD1-CD1 4.2Å; F180-F184 AromaticContact CD1-CD2 3.78Å; F180-F184 HydrophobicContact CD1-CD2 3.78Å; F180-F184 HydrophobicContact CD1-CE1 4.32Å; F180-F184 AromaticContact CD1-CE2 3.91Å; F180-F184 HydrophobicContact CD1-CE2 3.91Å; F180-F184 AromaticContact CD1-CG 3.91Å; F180-F184 HydrophobicContact CD1-CG 3.91Å; F180-F184 HydrophobicContact CD1-CZ 4.16Å; F180-F184 HydrophobicContact CE1-CE2 4.35Å; F180-F184 AromaticContact CG-CD1 3.98Å; F180-F184 HydrophobicContact CG-CD1 3.98Å; F180-F184 HydrophobicContact CG-CD2 4.38Å; F180-F184 HydrophobicContact CG-CE1 4.13Å; F180-F184 HydrophobicContact CG-CG 4.09Å; F180-F184 HydrophobicContact CG-CZ 4.38Å; F180-L200 HydrophobicContact CD2-CD2 4.26Å; F180-L200 HydrophobicContact CE1-CD2 4.2Å; F180-L200 HydrophobicContact CE2-CD2 3.76Å; F180-L200 HydrophobicContact CE2-CG 4.32Å; F180-L200 HydrophobicContact CZ-CD1 4.42Å; F180-L200 HydrophobicContact CZ-CD2 3.74Å; F180-L200 HydrophobicContact CZ-CG 4.49Å
181	D	91.8	Very high	93.1	Very high	79 Å²	79	57 Å²	57	42%	0.422	31%	0.311	S	S	.	.			trans	-90.7	-169.9	-173.3	63.4	20.5	0	0	0	112.8	F183 F184 G185	D181-F183 PolarHBondContact O-N 3.47Å; D181-F183 WeakPolarHBondContact OD1-CA 3.24Å; D181-F183 WeakPolarHBondContact OD1-CB 3.45Å; D181-F183 PolarHBondContact OD1-N 3.37Å; D181-F183 WeakPolarHBondContact OD2-CD2 3.43Å; D181-F184 WeakPolarHBondContact O-CB 3.34Å; D181-F184 PolarHBondContact O-N 3.17Å; D181-F184 PolarHBondContact OD1-N 3.44Å; D181-G185 PolarHBondContact O-N 3.4Å
182	I	92.4	Very high	93.4	Very high	29 Å²	29	57 Å²	57	15%	0.149	31%	0.313	C	S	.	.	H	α-helix	trans	-63.7	-28.1	177.7	-165.9	167.5	0	0	0	113	L44 L163 T165 G185 R186	L44-I182 HydrophobicContact CD1-CG2 4.27Å; L44-I182 HydrophobicContact CD2-CG2 4.01Å; L163-I182 HydrophobicContact CD2-CG1 4.46Å; T165-I182 WeakPolarHBondContact O-CA 3.31Å; T165-I182 PolarHBondContact O-N 2.64Å; I182-G185 PolarHBondContact O-N 3.04Å; I182-R186 HydrophobicContact CG1-CG 4.46Å; I182-R186 WeakPolarHBondContact O-CB 3.37Å; I182-R186 VanDerWaalsContact O-CG 3.28Å; I182-R186 WeakPolarHBondContact O-CG 3.47Å; I182-R186 PolarHBondContact O-N 3.2Å
183	F	92.6	Very high	93.9	Very high	20 Å²	20	54 Å²	54	9%	0.088	29%	0.293	C	S	.	.	H	α-helix	trans	-72.2	-41.8	-179.4	-60.1	-64.3	0	0	0	110.5	L44 D181 G185 R186 S187 Q287 E288 E291	L44-F183 HydrophobicContact CD2-CE2 4.14Å; L44-F183 HydrophobicContact CD2-CZ 4.24Å; D181-F183 PolarHBondContact O-N 3.47Å; D181-F183 WeakPolarHBondContact OD1-CA 3.24Å; D181-F183 WeakPolarHBondContact OD1-CB 3.45Å; D181-F183 PolarHBondContact OD1-N 3.37Å; D181-F183 WeakPolarHBondContact OD2-CD2 3.43Å; F183-G185 VanDerWaalsContact C-N 3.32Å; F183-G185 PolarHBondContact O-N 3.12Å; F183-R186 PolarHBondContact O-N 2.84Å; F183-S187 PolarHBondContact O-N 3.12Å; F183-Q287 HydrophobicContact CD1-CB 3.63Å; F183-Q287 HydrophobicContact CD1-CG 4.46Å; F183-Q287 HydrophobicContact CE1-CB 3.59Å; F183-E288 HydrophobicContact CE2-CG 4.1Å; F183-E288 HydrophobicContact CZ-CG 3.89Å; F183-E291 WeakPolarHBondContact CE1-OE2 3.21Å
184	F	94.8	Very high	94.5	Very high	41 Å²	41	47.1 Å²	47.1	18%	0.18	26%	0.256	C	S	.	.	H	α-helix	trans	-54.2	-51.3	168.3	170.2	-101	0	0	0	110.9	L167 F180 D181 R186 S187 L188 N196 L200	L167-F184 HydrophobicContact CD2-CE1 4.03Å; F180-F184 HydrophobicContact CB-CB 3.81Å; F180-F184 HydrophobicContact CB-CD1 3.39Å; F180-F184 HydrophobicContact CB-CD2 4.33Å; F180-F184 HydrophobicContact CB-CE1 3.98Å; F180-F184 HydrophobicContact CB-CG 3.58Å; F180-F184 HydrophobicContact CD1-CD1 4.2Å; F180-F184 AromaticContact CD1-CD2 3.78Å; F180-F184 HydrophobicContact CD1-CD2 3.78Å; F180-F184 HydrophobicContact CD1-CE1 4.32Å; F180-F184 AromaticContact CD1-CE2 3.91Å; F180-F184 HydrophobicContact CD1-CE2 3.91Å; F180-F184 AromaticContact CD1-CG 3.91Å; F180-F184 HydrophobicContact CD1-CG 3.91Å; F180-F184 HydrophobicContact CD1-CZ 4.16Å; F180-F184 HydrophobicContact CE1-CE2 4.35Å; F180-F184 AromaticContact CG-CD1 3.98Å; F180-F184 HydrophobicContact CG-CD1 3.98Å; F180-F184 HydrophobicContact CG-CD2 4.38Å; F180-F184 HydrophobicContact CG-CE1 4.13Å; F180-F184 HydrophobicContact CG-CG 4.09Å; F180-F184 HydrophobicContact CG-CZ 4.38Å; D181-F184 WeakPolarHBondContact O-CB 3.34Å; D181-F184 PolarHBondContact O-N 3.17Å; D181-F184 PolarHBondContact OD1-N 3.44Å; F184-R186 VanDerWaalsContact C-N 3.32Å; F184-R186 PolarHBondContact O-N 3.33Å; F184-S187 VanDerWaalsContact O-CB 3.31Å; F184-S187 WeakPolarHBondContact O-CB 3.31Å; F184-S187 PolarHBondContact O-N 2.67Å; F184-S187 PolarHBondContact O-OG 3.45Å; F184-L188 HydrophobicContact CE1-CD1 4.07Å; F184-L188 HydrophobicContact CE1-CD2 4.34Å; F184-L188 HydrophobicContact CE1-CG 4.47Å; F184-L188 HydrophobicContact CE2-CD2 4.41Å; F184-L188 HydrophobicContact CZ-CD2 4.06Å; F184-L188 PolarHBondContact O-N 2.8Å; F184-N196 HydrophobicContact CZ-CB 4.49Å; F184-N196 VanDerWaalsContact CZ-O 3.25Å; F184-N196 WeakPolarHBondContact CZ-O 3.48Å; F184-L200 HydrophobicContact CE1-CD2 4.32Å; F184-L200 HydrophobicContact CZ-CD2 3.71Å
185	G	95.9	Very high	94.8	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60.3	-38.7	179.5	0	0	0	0	0	114.1	L163 V164 D181 I182 F183 S187 L188	L163-G185 VanDerWaalsContact CD1-C 3.47Å; L163-G185 WeakPolarHBondContact CD1-O 3.43Å; V164-G185 VanDerWaalsContact O-CA 3.25Å; V164-G185 WeakPolarHBondContact O-CA 3.41Å; D181-G185 PolarHBondContact O-N 3.4Å; I182-G185 PolarHBondContact O-N 3.04Å; F183-G185 VanDerWaalsContact C-N 3.32Å; F183-G185 PolarHBondContact O-N 3.12Å; G185-S187 PolarHBondContact O-N 2.94Å; G185-L188 WeakPolarHBondContact O-CB 3.37Å; G185-L188 PolarHBondContact O-N 2.86Å; G185-L188 VanDerWaalsContact O-N 3.17Å
186	R	95	Very high	95	Very high	38 Å²	38	40.1 Å²	40.1	14%	0.143	22%	0.22	C	C	.	.	H	α-helix	trans	-68.3	-20.5	175.1	-74.6	175.7	-179.3	169.1	10.1	113.5	K153 Y154 L163 I182 F183 F184 L188 E291	K153-R186 WeakPolarHBondContact O-CD 3.38Å; K153-R186 WeakPolarHBondContact O-CG 3.46Å; K153-R186 PolarHBondContact O-NE 2.77Å; K153-R186 VanDerWaalsContact O-NE 3.13Å; Y154-R186 HydrophobicContact CD2-CB 4.31Å; Y154-R186 HydrophobicContact CD2-CG 4.31Å; Y154-R186 WeakPolarHBondContact CE2-O 3.43Å; L163-R186 HydrophobicContact CD1-CG 4.04Å; L163-R186 HydrophobicContact CD2-CG 4.27Å; I182-R186 HydrophobicContact CG1-CG 4.46Å; I182-R186 WeakPolarHBondContact O-CB 3.37Å; I182-R186 VanDerWaalsContact O-CG 3.28Å; I182-R186 WeakPolarHBondContact O-CG 3.47Å; I182-R186 PolarHBondContact O-N 3.2Å; F183-R186 PolarHBondContact O-N 2.84Å; F184-R186 VanDerWaalsContact C-N 3.32Å; F184-R186 PolarHBondContact O-N 3.33Å; R186-L188 VanDerWaalsContact C-N 3.34Å; R186-E291 IonicContact CZ-OE1 3.98Å; R186-E291 IonicContact CZ-OE2 3.77Å; R186-E291 IonicContact NH1-OE1 2.66Å; R186-E291 PolarHBondContact NH1-OE1 2.83Å; R186-E291 IonicContact NH1-OE2 3.77Å; R186-E291 PolarHBondContact NH1-OE2 3.33Å; R186-E291 IonicContact NH2-OE1 3.12Å; R186-E291 PolarHBondContact NH2-OE1 3.45Å; R186-E291 IonicContact NH2-OE2 2.82Å; R186-E291 PolarHBondContact NH2-OE2 3.08Å
187	S	95.9	Very high	95.2	Very high	71 Å²	71	35.9 Å²	35.9	50%	0.497	20%	0.2	S	C	.	.	H	α-helix	trans	-76.6	-21.6	173.5	83.3	0	0	0	0	113.1	F183 F184 G185	F183-S187 PolarHBondContact O-N 3.12Å; F184-S187 VanDerWaalsContact O-CB 3.31Å; F184-S187 WeakPolarHBondContact O-CB 3.31Å; F184-S187 PolarHBondContact O-N 2.67Å; F184-S187 PolarHBondContact O-OG 3.45Å; G185-S187 PolarHBondContact O-N 2.94Å
188	L	96.8	Very high	95.4	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	19%	0.186	C	C	.	.			trans	-68.4	139.5	179.6	-56.7	178.5	0	0	0	110.6	Y154 V164 F184 G185 R186 I193 N196	Y154-L188 VanDerWaalsContact CE2-O 3.23Å; Y154-L188 WeakPolarHBondContact CE2-O 3.38Å; Y154-L188 PolarHBondContact OH-O 2.84Å; V164-L188 HydrophobicContact CB-CD1 4.18Å; V164-L188 HydrophobicContact CG2-CD1 3.8Å; F184-L188 HydrophobicContact CE1-CD1 4.07Å; F184-L188 HydrophobicContact CE1-CD2 4.34Å; F184-L188 HydrophobicContact CE1-CG 4.47Å; F184-L188 HydrophobicContact CE2-CD2 4.41Å; F184-L188 HydrophobicContact CZ-CD2 4.06Å; F184-L188 PolarHBondContact O-N 2.8Å; G185-L188 WeakPolarHBondContact O-CB 3.37Å; G185-L188 PolarHBondContact O-N 2.86Å; G185-L188 VanDerWaalsContact O-N 3.17Å; R186-L188 VanDerWaalsContact C-N 3.34Å; L188-I193 HydrophobicContact CB-CD1 4.04Å; L188-I193 HydrophobicContact CD1-CD1 3.57Å; L188-I193 HydrophobicContact CG-CD1 4.41Å; L188-N196 HydrophobicContact CD2-CB 3.7Å
189	N	97.2	Very high	95.5	Very high	40 Å²	40	32 Å²	32	21%	0.214	18%	0.181	C	C	.	.			trans	-133	174.3	-179.8	69.8	60.7	0	0	0	109.5	W156 S191 T192 I193	W156-N189 HydrophobicContact CD2-CB 4.13Å; W156-N189 HydrophobicContact CG-CB 4.08Å; W156-N189 HydrophobicContact CZ2-CB 4.26Å; W156-N189 VanDerWaalsContact NE1-CB 3.33Å; N189-S191 PolarHBondContact O-N 3.47Å; N189-S191 WeakPolarHBondContact OD1-CA 3.25Å; N189-S191 WeakPolarHBondContact OD1-CB 3.41Å; N189-S191 PolarHBondContact OD1-N 3.22Å; N189-S191 PolarHBondContact OD1-OG 3.18Å; N189-T192 PolarHBondContact N-OG1 2.8Å; N189-T192 PolarHBondContact ND2-OG1 2.99Å; N189-T192 PolarHBondContact O-N 2.84Å; N189-T192 PolarHBondContact O-OG1 2.61Å; N189-T192 PolarHBondContact OD1-N 3.34Å; N189-I193 WeakPolarHBondContact O-CB 3.48Å; N189-I193 PolarHBondContact O-N 3.3Å
190	P	97.5	Very high	95.6	Very high	34 Å²	34	28.3 Å²	28.3	22%	0.221	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-29.2	-176.1	-27.4	34.3	0	0	0	114.4	W156 E159 I160	W156-P190 HydrophobicContact CD2-CG 4.34Å; W156-P190 HydrophobicContact CE3-CG 3.89Å; W156-P190 HydrophobicContact CZ3-CG 4.38Å; E159-P190 HydrophobicContact CG-CG 4Å; E159-P190 WeakPolarHBondContact OE1-CG 3.16Å; I160-P190 HydrophobicContact CD1-CG 4.35Å; I160-P190 HydrophobicContact CG1-CG 4.18Å
191	S	96.3	Very high	95.8	Very high	93 Å²	93	26.6 Å²	26.6	65%	0.65	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-23.9	177.9	71.9	0	0	0	0	114.3	N189	N189-S191 PolarHBondContact O-N 3.47Å; N189-S191 WeakPolarHBondContact OD1-CA 3.25Å; N189-S191 WeakPolarHBondContact OD1-CB 3.41Å; N189-S191 PolarHBondContact OD1-N 3.22Å; N189-S191 PolarHBondContact OD1-OG 3.18Å
192	T	96.6	Very high	96	Very high	26 Å²	26	23 Å²	23	16%	0.16	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-16.6	-174.7	59.8	0	0	0	0	114.1	N189 Y194 D195 N196	N189-T192 PolarHBondContact N-OG1 2.8Å; N189-T192 PolarHBondContact ND2-OG1 2.99Å; N189-T192 PolarHBondContact O-N 2.84Å; N189-T192 PolarHBondContact O-OG1 2.61Å; N189-T192 PolarHBondContact OD1-N 3.34Å; T192-Y194 PolarHBondContact O-N 3.35Å; T192-D195 PolarHBondContact O-N 2.88Å; T192-N196 WeakPolarHBondContact O-CB 3.4Å; T192-N196 PolarHBondContact O-N 2.86Å
193	I	97.6	Very high	96	Very high	1 Å²	1	22 Å²	22	1%	0.005	13%	0.128	C	C	.	.	I	π-helix	trans	-59.3	-33.4	-176.4	-171.6	55.6	0	0	0	113.2	I160 F162 V164 L188 N189 G197 I198 Y381 L385	I160-I193 HydrophobicContact CD1-CB 4.44Å; I160-I193 HydrophobicContact CG2-CG1 4.39Å; F162-I193 HydrophobicContact CE2-CD1 3.93Å; F162-I193 HydrophobicContact CE2-CG1 3.97Å; F162-I193 HydrophobicContact CZ-CD1 4.47Å; F162-I193 HydrophobicContact CZ-CG1 4.02Å; V164-I193 HydrophobicContact CG2-CD1 3.99Å; L188-I193 HydrophobicContact CB-CD1 4.04Å; L188-I193 HydrophobicContact CD1-CD1 3.57Å; L188-I193 HydrophobicContact CG-CD1 4.41Å; N189-I193 WeakPolarHBondContact O-CB 3.48Å; N189-I193 PolarHBondContact O-N 3.3Å; I193-G197 WeakPolarHBondContact O-CA 3.44Å; I193-G197 PolarHBondContact O-N 3.17Å; I193-G197 VanDerWaalsContact O-N 3.08Å; I193-I198 PolarHBondContact O-N 3.45Å; I193-Y381 HydrophobicContact CG2-CE1 4.41Å; I193-L385 HydrophobicContact CG1-CD1 4.36Å; I193-L385 HydrophobicContact CG2-CD1 4.4Å
194	Y	97.7	Very high	95.8	Very high	5 Å²	5	23.7 Å²	23.7	2%	0.02	14%	0.141	C	C	.	.	I	π-helix	trans	-69.5	-56.2	178	179.8	-111.2	0	0	0	111.8	T192 I198 R199 L385 R388 A389 D392	T192-Y194 PolarHBondContact O-N 3.35Å; Y194-I198 PolarHBondContact O-N 3Å; Y194-R199 HydrophobicContact CD1-CG 4.48Å; Y194-R199 HydrophobicContact CE1-CG 4.01Å; Y194-R199 HydrophobicContact CE2-CG 4.26Å; Y194-R199 PolarHBondContact O-N 2.82Å; Y194-L385 HydrophobicContact CD2-CB 4.34Å; Y194-L385 HydrophobicContact CD2-CD2 3.96Å; Y194-L385 WeakPolarHBondContact CE2-O 3.21Å; Y194-L385 HydrophobicContact CG-CD2 4.46Å; Y194-R388 HydrophobicContact CE1-CG 4.28Å; Y194-R388 HydrophobicContact CE2-CB 3.91Å; Y194-R388 HydrophobicContact CE2-CG 3.83Å; Y194-A389 HydrophobicContact CE2-CB 4.15Å; Y194-A389 VanDerWaalsContact OH-CA 3.32Å; Y194-A389 WeakPolarHBondContact OH-CA 3.37Å; Y194-A389 PolarHBondContact OH-N 3.19Å; Y194-D392 VanDerWaalsContact OH-CB 3.29Å; Y194-D392 WeakPolarHBondContact OH-CB 3.38Å; Y194-D392 PolarHBondContact OH-OD2 2.86Å; Y194-D392 VanDerWaalsContact OH-OD2 3.1Å
195	D	95.1	Very high	95.6	Very high	29 Å²	29	26.1 Å²	26.1	16%	0.155	16%	0.155	C	C	.	.	I	π-helix	trans	-76.4	-46.2	-173	-73.1	-50.9	0	0	0	112.4	T192 R199 L200 I399	T192-D195 PolarHBondContact O-N 2.88Å; D195-R199 WeakPolarHBondContact OD1-CD 3.44Å; D195-R199 IonicContact OD1-CZ 2.93Å; D195-R199 IonicContact OD1-NH1 3.4Å; D195-R199 PolarHBondContact OD1-NH1 3.32Å; D195-L200 PolarHBondContact O-N 2.67Å; D195-I399 HydrophobicContact CB-CD1 3.98Å; D195-I399 HydrophobicContact CB-CG2 3.63Å
196	N	94.9	Very high	95.4	Very high	25 Å²	25	27.6 Å²	27.6	13%	0.134	17%	0.165	C	C	.	.	I	π-helix	trans	-89.4	-17.5	-176.8	-62.9	24.1	0	0	0	112.3	F184 L188 T192 L200 S401 L402	F184-N196 HydrophobicContact CZ-CB 4.49Å; F184-N196 VanDerWaalsContact CZ-O 3.25Å; F184-N196 WeakPolarHBondContact CZ-O 3.48Å; L188-N196 HydrophobicContact CD2-CB 3.7Å; T192-N196 WeakPolarHBondContact O-CB 3.4Å; T192-N196 PolarHBondContact O-N 2.86Å; N196-L200 VanDerWaalsContact O-CB 3.26Å; N196-L200 WeakPolarHBondContact O-CB 3.11Å; N196-L200 WeakPolarHBondContact O-CD2 3.35Å; N196-S401 PolarHBondContact ND2-O 3.46Å; N196-S401 PolarHBondContact OD1-OG 3.09Å; N196-L402 HydrophobicContact CB-CD1 4.26Å; N196-L402 VanDerWaalsContact OD1-CD1 3.26Å; N196-L402 WeakPolarHBondContact OD1-CD1 3.41Å
197	G	96.9	Very high	95.3	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.01	19%	0.185	C	C	.	.	I	π-helix	trans	-99.6	-72.1	175.6	0	0	0	0	0	112.1	I193 F201	I193-G197 WeakPolarHBondContact O-CA 3.44Å; I193-G197 PolarHBondContact O-N 3.17Å; I193-G197 VanDerWaalsContact O-N 3.08Å; G197-F201 WeakPolarHBondContact O-CB 3.14Å; G197-F201 PolarHBondContact O-N 3.22Å
198	I	97.9	Very high	95.1	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	17%	0.166	C	C	.	.	I	π-helix	trans	-71.7	-48.4	-169.7	-57.2	-56	0	0	0	112.6	I193 Y194 F201 L202 L382 L385 F386 A389	I193-I198 PolarHBondContact O-N 3.45Å; Y194-I198 PolarHBondContact O-N 3Å; I198-F201 WeakPolarHBondContact O-CB 3.42Å; I198-F201 PolarHBondContact O-N 2.98Å; I198-L202 HydrophobicContact CG2-CD1 4.12Å; I198-L202 WeakPolarHBondContact O-CG 3.27Å; I198-L202 PolarHBondContact O-N 2.9Å; I198-L202 VanDerWaalsContact O-N 3.08Å; I198-L382 HydrophobicContact CD1-CD1 3.73Å; I198-L385 HydrophobicContact CD1-CD1 4.42Å; I198-L385 HydrophobicContact CG1-CB 3.96Å; I198-L385 HydrophobicContact CG1-CD1 3.84Å; I198-F386 HydrophobicContact CD1-CE2 4.2Å; I198-F386 HydrophobicContact CD1-CZ 4.32Å; I198-F386 HydrophobicContact CG2-CD1 4.06Å; I198-F386 HydrophobicContact CG2-CE1 3.92Å; I198-F386 HydrophobicContact CG2-CG 4.43Å; I198-F386 HydrophobicContact CG2-CZ 4.16Å; I198-A389 HydrophobicContact CG2-CB 4.48Å
199	R	96.2	Very high	95	Very high	22 Å²	22	29.4 Å²	29.4	8%	0.083	17%	0.171	C	C	.	.	I	π-helix	trans	-68.3	-38.1	179.1	-71.4	-178.6	63.1	-161.5	2.3	111.8	Y194 D195 F201 L202 G203 D392 T394 P395 L396 I399	Y194-R199 HydrophobicContact CD1-CG 4.48Å; Y194-R199 HydrophobicContact CE1-CG 4.01Å; Y194-R199 HydrophobicContact CE2-CG 4.26Å; Y194-R199 PolarHBondContact O-N 2.82Å; D195-R199 WeakPolarHBondContact OD1-CD 3.44Å; D195-R199 IonicContact OD1-CZ 2.93Å; D195-R199 IonicContact OD1-NH1 3.4Å; D195-R199 PolarHBondContact OD1-NH1 3.32Å; R199-F201 VanDerWaalsContact C-N 3.34Å; R199-F201 PolarHBondContact O-N 2.89Å; R199-L202 PolarHBondContact O-N 2.78Å; R199-G203 PolarHBondContact O-N 2.9Å; R199-D392 IonicContact CZ-OD2 3.94Å; R199-D392 IonicContact NH1-OD2 3.81Å; R199-T394 PolarHBondContact NH2-O 2.86Å; R199-P395 VanDerWaalsContact NH2-C 3.34Å; R199-P395 PolarHBondContact NH2-O 3.19Å; R199-L396 HydrophobicContact CB-CD1 3.68Å; R199-I399 VanDerWaalsContact NH1-CG1 3.26Å
200	L	95.1	Very high	95	Very high	3 Å²	3	30 Å²	30	2%	0.016	17%	0.172	C	C	.	.	H	α-helix	trans	-57.4	-47.2	171.9	-176	63.1	0	0	0	111.5	L167 Y171 F180 F184 D195 N196 L202 G203 L402 I404	L167-L200 HydrophobicContact CD2-CB 4.45Å; L167-L200 HydrophobicContact CD2-CD2 3.7Å; L167-L200 HydrophobicContact CD2-CG 3.98Å; Y171-L200 WeakPolarHBondContact OH-CD1 3.24Å; F180-L200 HydrophobicContact CD2-CD2 4.26Å; F180-L200 HydrophobicContact CE1-CD2 4.2Å; F180-L200 HydrophobicContact CE2-CD2 3.76Å; F180-L200 HydrophobicContact CE2-CG 4.32Å; F180-L200 HydrophobicContact CZ-CD1 4.42Å; F180-L200 HydrophobicContact CZ-CD2 3.74Å; F180-L200 HydrophobicContact CZ-CG 4.49Å; F184-L200 HydrophobicContact CE1-CD2 4.32Å; F184-L200 HydrophobicContact CZ-CD2 3.71Å; D195-L200 PolarHBondContact O-N 2.67Å; N196-L200 VanDerWaalsContact O-CB 3.26Å; N196-L200 WeakPolarHBondContact O-CB 3.11Å; N196-L200 WeakPolarHBondContact O-CD2 3.35Å; L200-L202 VanDerWaalsContact C-N 3.35Å; L200-L202 PolarHBondContact O-N 2.82Å; L200-G203 PolarHBondContact O-N 2.74Å; L200-L402 HydrophobicContact CD1-CD2 4.22Å; L200-I404 HydrophobicContact CD1-CD1 3.86Å
201	F	97.2	Very high	94.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.2	-40.9	176.3	170.1	-121.3	0	0	0	113.5	C129 L167 G197 I198 R199 G203 F216 L242 Y244 F386	C129-F201 HydrophobicContact CB-CD1 4.22Å; C129-F201 HydrophobicContact CB-CD2 3.59Å; C129-F201 HydrophobicContact CB-CE1 4.3Å; C129-F201 HydrophobicContact CB-CE2 3.7Å; C129-F201 HydrophobicContact CB-CG 3.86Å; C129-F201 HydrophobicContact CB-CZ 4.05Å; L167-F201 HydrophobicContact CD1-CB 3.6Å; L167-F201 HydrophobicContact CD1-CD2 3.65Å; L167-F201 HydrophobicContact CD1-CG 4Å; G197-F201 WeakPolarHBondContact O-CB 3.14Å; G197-F201 PolarHBondContact O-N 3.22Å; I198-F201 WeakPolarHBondContact O-CB 3.42Å; I198-F201 PolarHBondContact O-N 2.98Å; R199-F201 VanDerWaalsContact C-N 3.34Å; R199-F201 PolarHBondContact O-N 2.89Å; F201-G203 PolarHBondContact O-N 2.85Å; F201-F216 HydrophobicContact CE1-CD2 4.45Å; F201-F216 HydrophobicContact CE1-CE1 4.35Å; F201-F216 AromaticContact CE1-CE2 3.65Å; F201-F216 HydrophobicContact CE1-CE2 3.65Å; F201-F216 AromaticContact CE1-CZ 3.6Å; F201-F216 HydrophobicContact CE1-CZ 3.6Å; F201-F216 HydrophobicContact CZ-CE2 4.12Å; F201-F216 AromaticContact CZ-CZ 3.71Å; F201-F216 HydrophobicContact CZ-CZ 3.71Å; F201-L242 HydrophobicContact CE1-CB 3.94Å; F201-L242 HydrophobicContact CE1-CD1 4.29Å; F201-L242 HydrophobicContact CZ-CB 3.79Å; F201-Y244 HydrophobicContact CD2-CE1 4.3Å; F201-Y244 HydrophobicContact CE1-CD1 4.41Å; F201-Y244 HydrophobicContact CE1-CE1 4.31Å; F201-Y244 HydrophobicContact CE2-CD1 4.12Å; F201-Y244 AromaticContact CE2-CE1 3.83Å; F201-Y244 HydrophobicContact CE2-CE1 3.83Å; F201-Y244 AromaticContact CZ-CD1 3.8Å; F201-Y244 HydrophobicContact CZ-CD1 3.8Å; F201-Y244 AromaticContact CZ-CE1 3.85Å; F201-Y244 HydrophobicContact CZ-CE1 3.85Å; F201-Y244 WeakPolarHBondContact O-CE1 3.46Å; F201-Y244 PolarHBondContact O-OH 3.49Å; F201-F386 HydrophobicContact CD1-CE1 4.36Å; F201-F386 HydrophobicContact CD1-CZ 4.12Å; F201-F386 HydrophobicContact CE1-CE1 4.45Å; F201-F386 HydrophobicContact CE1-CZ 4.16Å
202	L	96	Very high	94.9	Very high	4 Å²	4	27 Å²	27	2%	0.021	14%	0.142	C	C	.	.	H	α-helix	trans	-73.6	-11.1	-178.8	-71.4	169.9	0	0	0	113.9	I198 R199 L200 A209 L212 A213 F216 Y244 F386 A389	I198-L202 HydrophobicContact CG2-CD1 4.12Å; I198-L202 WeakPolarHBondContact O-CG 3.27Å; I198-L202 PolarHBondContact O-N 2.9Å; I198-L202 VanDerWaalsContact O-N 3.08Å; R199-L202 PolarHBondContact O-N 2.78Å; L200-L202 VanDerWaalsContact C-N 3.35Å; L200-L202 PolarHBondContact O-N 2.82Å; L202-A209 HydrophobicContact CB-CB 3.78Å; L202-A209 HydrophobicContact CD1-CB 4.46Å; L202-L212 HydrophobicContact CD2-CB 3.63Å; L202-L212 HydrophobicContact CD2-CD1 4.36Å; L202-A213 HydrophobicContact CD1-CB 4.05Å; L202-F216 HydrophobicContact CD2-CD2 4.13Å; L202-F216 HydrophobicContact CD2-CE2 4.16Å; L202-Y244 PolarHBondContact O-OH 3.14Å; L202-F386 HydrophobicContact CD1-CD1 4.26Å; L202-F386 HydrophobicContact CD1-CE1 4.17Å; L202-F386 HydrophobicContact CD2-CD1 4.49Å; L202-F386 HydrophobicContact CD2-CE1 3.96Å; L202-F386 HydrophobicContact CG-CE1 4.17Å; L202-A389 HydrophobicContact CD1-CB 3.62Å
203	G	92	Very high	94.9	Very high	8 Å²	8	25.7 Å²	25.7	8%	0.082	13%	0.134	C	C	.	.			trans	81.4	174.3	178.2	0	0	0	0	0	114.7	R199 L200 F201 N205	R199-G203 PolarHBondContact O-N 2.9Å; L200-G203 PolarHBondContact O-N 2.74Å; F201-G203 PolarHBondContact O-N 2.85Å; G203-N205 PolarHBondContact O-N 2.94Å
204	P	88.7	Confident	94.9	Very high	54 Å²	54	30.3 Å²	30.3	35%	0.351	15%	0.154	S	C	.	.	S	Bend	trans	-77.7	-20.6	-168.6	29.6	-35.8	0	0	0	114.6	Y171 V206	Y171-P204 HydrophobicContact CD1-CG 4.35Å; Y171-P204 HydrophobicContact CE1-CG 4.41Å; P204-V206 PolarHBondContact O-N 2.76Å; P204-V206 VanDerWaalsContact O-N 3.12Å
205	N	90.8	Very high	94.9	Very high	92 Å²	92	31.6 Å²	31.6	49%	0.492	16%	0.16	S	C	.	.			trans	-76.5	102.1	-180	-175.8	-46.9	0	0	0	110.5	G203 N207 R208 A209	G203-N205 PolarHBondContact O-N 2.94Å; N205-N207 PolarHBondContact O-N 2.93Å; N205-N207 PolarHBondContact OD1-N 3.18Å; N205-R208 HydrophobicContact CB-CB 4.02Å; N205-R208 PolarHBondContact O-N 2.8Å; N205-R208 PolarHBondContact OD1-N 3.02Å; N205-A209 WeakPolarHBondContact O-CB 3.33Å; N205-A209 PolarHBondContact O-N 3.3Å
206	V	92.2	Very high	95.1	Very high	32 Å²	32	30.2 Å²	30.2	19%	0.194	15%	0.153	C	C	.	.	H	α-helix	trans	-54	-46.1	-176.2	176.7	0	0	0	0	113.1	P204 R208 A209 K210	P204-V206 PolarHBondContact O-N 2.76Å; P204-V206 VanDerWaalsContact O-N 3.12Å; V206-R208 VanDerWaalsContact C-N 3.35Å; V206-R208 PolarHBondContact O-N 3.35Å; V206-A209 PolarHBondContact O-N 3.36Å; V206-K210 HydrophobicContact CG1-CD 4.3Å; V206-K210 WeakPolarHBondContact O-CG 3.27Å; V206-K210 PolarHBondContact O-N 3.41Å
207	N	92.5	Very high	95.3	Very high	106 Å²	106	30.2 Å²	30.2	57%	0.567	15%	0.154	S	C	*	.	H	α-helix	trans	-66.1	-41.1	-177.5	-71.4	-27.2	0	0	0	111.5	N205 K210 R211	N205-N207 PolarHBondContact O-N 2.93Å; N205-N207 PolarHBondContact OD1-N 3.18Å; N207-K210 PolarHBondContact O-N 2.63Å; N207-R211 PolarHBondContact O-N 3.3Å
208	R	92.7	Very high	95.3	Very high	28 Å²	28	35 Å²	35	11%	0.106	17%	0.174	C	C	.	.	H	α-helix	trans	-67.4	-44.1	175.1	-173.4	171.6	-172	-155.9	-0	112	N205 V206 K210 R211 L212 D245 S246 E349	N205-R208 HydrophobicContact CB-CB 4.02Å; N205-R208 PolarHBondContact O-N 2.8Å; N205-R208 PolarHBondContact OD1-N 3.02Å; V206-R208 VanDerWaalsContact C-N 3.35Å; V206-R208 PolarHBondContact O-N 3.35Å; R208-K210 PolarHBondContact O-N 2.92Å; R208-R211 PolarHBondContact O-N 2.88Å; R208-L212 HydrophobicContact CG-CD1 3.93Å; R208-L212 HydrophobicContact CG-CG 4.21Å; R208-L212 WeakPolarHBondContact O-CG 3.38Å; R208-L212 PolarHBondContact O-N 3.35Å; R208-D245 PolarHBondContact NH2-O 3.45Å; R208-S246 VanDerWaalsContact NH1-C 3.32Å; R208-S246 PolarHBondContact NH1-O 3.33Å; R208-E349 WeakPolarHBondContact CG-OE1 3.41Å; R208-E349 IonicContact CZ-OE2 2.87Å; R208-E349 IonicContact NE-OE1 2.7Å; R208-E349 IonicContact NE-OE2 3.4Å; R208-E349 PolarHBondContact NE-OE2 2.91Å; R208-E349 IonicContact NH2-OE2 3Å; R208-E349 PolarHBondContact NH2-OE2 2.7Å
209	A	94.5	Very high	95.3	Very high	13 Å²	13	38.5 Å²	38.5	11%	0.107	19%	0.189	C	C	.	.	H	α-helix	trans	-54.5	-41.9	176.3	0	0	0	0	0	111.1	L202 N205 V206 A213	L202-A209 HydrophobicContact CB-CB 3.78Å; L202-A209 HydrophobicContact CD1-CB 4.46Å; N205-A209 WeakPolarHBondContact O-CB 3.33Å; N205-A209 PolarHBondContact O-N 3.3Å; V206-A209 PolarHBondContact O-N 3.36Å; A209-A213 WeakPolarHBondContact O-CB 3.17Å; A209-A213 PolarHBondContact O-N 3.23Å
210	K	95.8	Very high	95.5	Very high	54 Å²	54	37.5 Å²	37.5	24%	0.235	19%	0.185	C	C	.	.	H	α-helix	trans	-62.4	-45.8	175	-70.1	170	71.7	172.4	0	112.5	V206 N207 R208 A213 K214 S390 D392 S393	V206-K210 HydrophobicContact CG1-CD 4.3Å; V206-K210 WeakPolarHBondContact O-CG 3.27Å; V206-K210 PolarHBondContact O-N 3.41Å; N207-K210 PolarHBondContact O-N 2.63Å; R208-K210 PolarHBondContact O-N 2.92Å; K210-A213 PolarHBondContact O-N 3.47Å; K210-K214 WeakPolarHBondContact O-CG 3.38Å; K210-K214 PolarHBondContact O-N 3.03Å; K210-S390 WeakPolarHBondContact CE-O 3.15Å; K210-D392 WeakPolarHBondContact CD-O 3.43Å; K210-D392 WeakPolarHBondContact CG-O 3.5Å; K210-S393 PolarHBondContact NZ-OG 3Å; K210-S393 VanDerWaalsContact NZ-OG 3.09Å
211	R	95.3	Very high	95.6	Very high	62 Å²	62	39.6 Å²	39.6	23%	0.234	20%	0.198	C	C	.	.	H	α-helix	trans	-64.7	-46.1	178.3	-68.3	-169.1	-55.7	-92.6	-1.5	112.2	N207 R208 A213 K214 Q215 E349	N207-R211 PolarHBondContact O-N 3.3Å; R208-R211 PolarHBondContact O-N 2.88Å; R211-A213 VanDerWaalsContact C-N 3.33Å; R211-A213 PolarHBondContact O-N 2.98Å; R211-K214 PolarHBondContact O-N 2.9Å; R211-Q215 PolarHBondContact O-N 2.98Å; R211-E349 HydrophobicContact CB-CG 3.67Å; R211-E349 IonicContact CZ-OE1 2.66Å; R211-E349 IonicContact NE-OE1 2.73Å; R211-E349 PolarHBondContact NE-OE1 3.34Å; R211-E349 IonicContact NH2-OE1 3.48Å; R211-E349 PolarHBondContact NH2-OE1 3.34Å
212	L	96.7	Very high	95.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-57.9	-46.8	174	-73.7	170.4	0	0	0	110.8	L202 R208 K214 Q215 F216 Y244 E349 V351	L202-L212 HydrophobicContact CD2-CB 3.63Å; L202-L212 HydrophobicContact CD2-CD1 4.36Å; R208-L212 HydrophobicContact CG-CD1 3.93Å; R208-L212 HydrophobicContact CG-CG 4.21Å; R208-L212 WeakPolarHBondContact O-CG 3.38Å; R208-L212 PolarHBondContact O-N 3.35Å; L212-K214 PolarHBondContact O-N 2.83Å; L212-Q215 PolarHBondContact O-N 2.6Å; L212-Q215 VanDerWaalsContact O-N 3.08Å; L212-F216 HydrophobicContact CB-CD2 4.48Å; L212-F216 HydrophobicContact CB-CE2 4.41Å; L212-F216 WeakPolarHBondContact O-CD2 3.44Å; L212-F216 PolarHBondContact O-N 3.45Å; L212-Y244 HydrophobicContact CD1-CD1 4.14Å; L212-Y244 HydrophobicContact CD1-CD2 3.9Å; L212-Y244 HydrophobicContact CD1-CE1 3.99Å; L212-Y244 HydrophobicContact CD1-CE2 3.76Å; L212-Y244 HydrophobicContact CD1-CG 4.09Å; L212-Y244 HydrophobicContact CD2-CD1 4.22Å; L212-Y244 HydrophobicContact CD2-CD2 4.01Å; L212-Y244 HydrophobicContact CD2-CG 3.75Å; L212-E349 HydrophobicContact CD2-CB 3.77Å; L212-E349 HydrophobicContact CD2-CG 4.08Å; L212-E349 HydrophobicContact CG-CB 4.4Å; L212-E349 HydrophobicContact CG-CG 4.22Å; L212-V351 HydrophobicContact CD2-CG1 3.76Å
213	A	97.9	Very high	95.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.9	-43.3	178.6	0	0	0	0	0	112.5	L202 A209 K210 R211 Q215 F216 V217 F386 A389	L202-A213 HydrophobicContact CD1-CB 4.05Å; A209-A213 WeakPolarHBondContact O-CB 3.17Å; A209-A213 PolarHBondContact O-N 3.23Å; K210-A213 PolarHBondContact O-N 3.47Å; R211-A213 VanDerWaalsContact C-N 3.33Å; R211-A213 PolarHBondContact O-N 2.98Å; A213-Q215 VanDerWaalsContact C-N 3.27Å; A213-Q215 PolarHBondContact O-N 3.34Å; A213-F216 PolarHBondContact O-N 2.9Å; A213-V217 WeakPolarHBondContact O-CG2 3.18Å; A213-V217 PolarHBondContact O-N 2.96Å; A213-F386 HydrophobicContact CB-CD1 4.15Å; A213-A389 HydrophobicContact CB-CB 3.87Å
214	K	97.4	Very high	96.1	Very high	98 Å²	98	43 Å²	43	43%	0.426	21%	0.213	S	C	.	.	H	α-helix	trans	-55.6	-42.7	173.3	-70.9	175.5	-176.1	175.6	0	111.6	K210 R211 L212 V217 K218 E346	K210-K214 WeakPolarHBondContact O-CG 3.38Å; K210-K214 PolarHBondContact O-N 3.03Å; R211-K214 PolarHBondContact O-N 2.9Å; L212-K214 PolarHBondContact O-N 2.83Å; K214-V217 PolarHBondContact O-N 3.06Å; K214-K218 PolarHBondContact O-N 2.87Å; K214-K218 VanDerWaalsContact O-N 3.13Å; K214-E346 IonicContact NZ-OE1 2.7Å; K214-E346 IonicContact NZ-OE2 3.44Å
215	Q	97.7	Very high	96.5	Very high	32 Å²	32	46.1 Å²	46.1	15%	0.15	22%	0.221	C	C	.	.	H	α-helix	trans	-70.7	-39.7	-179.7	-67	-63.5	-22.5	0	0	112.6	R211 L212 A213 K218 K219 E348 E349 V351	R211-Q215 PolarHBondContact O-N 2.98Å; L212-Q215 PolarHBondContact O-N 2.6Å; L212-Q215 VanDerWaalsContact O-N 3.08Å; A213-Q215 VanDerWaalsContact C-N 3.27Å; A213-Q215 PolarHBondContact O-N 3.34Å; Q215-K218 WeakPolarHBondContact O-CB 3.38Å; Q215-K218 PolarHBondContact O-N 3.09Å; Q215-K219 PolarHBondContact O-N 3.17Å; Q215-K219 VanDerWaalsContact O-N 3.09Å; Q215-E348 PolarHBondContact NE2-OE1 3.29Å; Q215-E348 PolarHBondContact OE1-OE1 3.11Å; Q215-E349 HydrophobicContact CG-CB 4.39Å; Q215-E349 WeakPolarHBondContact CG-O 3.47Å; Q215-V351 HydrophobicContact CB-CB 4.47Å; Q215-V351 HydrophobicContact CB-CG1 3.87Å; Q215-V351 HydrophobicContact CB-CG2 3.72Å
216	F	98.6	Very high	96.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.6	-44.1	172	-78.9	-63	0	0	0	111.7	F201 L202 L212 A213 K218 K219 L220 L242 Y244 V351 L352 V353 F386	F201-F216 HydrophobicContact CE1-CD2 4.45Å; F201-F216 HydrophobicContact CE1-CE1 4.35Å; F201-F216 AromaticContact CE1-CE2 3.65Å; F201-F216 HydrophobicContact CE1-CE2 3.65Å; F201-F216 AromaticContact CE1-CZ 3.6Å; F201-F216 HydrophobicContact CE1-CZ 3.6Å; F201-F216 HydrophobicContact CZ-CE2 4.12Å; F201-F216 AromaticContact CZ-CZ 3.71Å; F201-F216 HydrophobicContact CZ-CZ 3.71Å; L202-F216 HydrophobicContact CD2-CD2 4.13Å; L202-F216 HydrophobicContact CD2-CE2 4.16Å; L212-F216 HydrophobicContact CB-CD2 4.48Å; L212-F216 HydrophobicContact CB-CE2 4.41Å; L212-F216 WeakPolarHBondContact O-CD2 3.44Å; L212-F216 PolarHBondContact O-N 3.45Å; A213-F216 PolarHBondContact O-N 2.9Å; F216-K218 VanDerWaalsContact C-N 3.31Å; F216-K218 PolarHBondContact O-N 3.44Å; F216-K219 PolarHBondContact O-N 2.91Å; F216-L220 HydrophobicContact CB-CD1 4.31Å; F216-L220 VanDerWaalsContact O-CB 3.27Å; F216-L220 WeakPolarHBondContact O-CB 3.44Å; F216-L220 VanDerWaalsContact O-CG 3.26Å; F216-L220 WeakPolarHBondContact O-CG 3.21Å; F216-L220 PolarHBondContact O-N 3.19Å; F216-L242 HydrophobicContact CD1-CD2 4.38Å; F216-L242 HydrophobicContact CE1-CB 3.78Å; F216-L242 HydrophobicContact CE1-CD2 4.33Å; F216-L242 HydrophobicContact CE1-CG 4.44Å; F216-L242 HydrophobicContact CZ-CB 4.25Å; F216-Y244 HydrophobicContact CE2-CD1 4.11Å; F216-Y244 HydrophobicContact CZ-CD1 4.16Å; F216-V351 HydrophobicContact CD1-CB 4.04Å; F216-V351 HydrophobicContact CD1-CG1 4.49Å; F216-V351 HydrophobicContact CD1-CG2 3.98Å; F216-V351 HydrophobicContact CD2-CB 4.47Å; F216-V351 HydrophobicContact CD2-CG1 4.05Å; F216-V351 HydrophobicContact CE1-CB 3.67Å; F216-V351 HydrophobicContact CE1-CG1 4.2Å; F216-V351 HydrophobicContact CE1-CG2 4.1Å; F216-V351 HydrophobicContact CE2-CB 4.13Å; F216-V351 HydrophobicContact CE2-CG1 3.72Å; F216-V351 HydrophobicContact CG-CB 4.41Å; F216-V351 HydrophobicContact CG-CG1 4.42Å; F216-V351 HydrophobicContact CG-CG2 4.31Å; F216-V351 HydrophobicContact CZ-CB 3.71Å; F216-V351 HydrophobicContact CZ-CG1 3.8Å; F216-L352 WeakPolarHBondContact CE1-O 3.46Å; F216-V353 HydrophobicContact CD1-CG2 3.78Å; F216-V353 HydrophobicContact CE1-CG2 4.16Å; F216-F386 HydrophobicContact CB-CD1 3.76Å; F216-F386 HydrophobicContact CB-CD2 4.35Å; F216-F386 HydrophobicContact CB-CE1 3.93Å; F216-F386 HydrophobicContact CB-CE2 4.49Å; F216-F386 HydrophobicContact CB-CG 3.99Å; F216-F386 HydrophobicContact CB-CZ 4.31Å; F216-F386 HydrophobicContact CD2-CD1 4.13Å; F216-F386 AromaticContact CD2-CE1 3.62Å; F216-F386 HydrophobicContact CD2-CE1 3.62Å; F216-F386 HydrophobicContact CD2-CZ 4.19Å; F216-F386 HydrophobicContact CE2-CE1 4.36Å; F216-F386 HydrophobicContact CG-CD1 4.21Å; F216-F386 AromaticContact CG-CE1 3.87Å; F216-F386 HydrophobicContact CG-CE1 3.87Å; F216-F386 HydrophobicContact CG-CZ 4.14Å
217	V	98.7	Very high	97.1	Very high	24 Å²	24	40.3 Å²	40.3	15%	0.145	19%	0.189	C	C	.	.	H	α-helix	trans	-55.9	-46.2	175.1	171.5	0	0	0	0	110.8	A213 K214 K219 T221 F386 K387	A213-V217 WeakPolarHBondContact O-CG2 3.18Å; A213-V217 PolarHBondContact O-N 2.96Å; K214-V217 PolarHBondContact O-N 3.06Å; V217-K219 PolarHBondContact O-N 3.24Å; V217-T221 WeakPolarHBondContact O-CB 3.46Å; V217-T221 PolarHBondContact O-N 2.95Å; V217-T221 PolarHBondContact O-OG1 3.25Å; V217-F386 HydrophobicContact CG2-CB 3.68Å; V217-K387 HydrophobicContact CG1-CG 4Å; V217-K387 HydrophobicContact CG2-CB 4.43Å; V217-K387 HydrophobicContact CG2-CG 3.78Å
218	K	98.2	Very high	97.2	Very high	101 Å²	101	38.9 Å²	38.9	44%	0.439	18%	0.179	S	C	.	.	H	α-helix	trans	-57.6	-50.6	178.5	-179.4	179.8	174.4	-176.6	0	111.5	K214 Q215 F216 Q222 E348	K214-K218 PolarHBondContact O-N 2.87Å; K214-K218 VanDerWaalsContact O-N 3.13Å; Q215-K218 WeakPolarHBondContact O-CB 3.38Å; Q215-K218 PolarHBondContact O-N 3.09Å; F216-K218 VanDerWaalsContact C-N 3.31Å; F216-K218 PolarHBondContact O-N 3.44Å; K218-Q222 WeakPolarHBondContact O-CG 3.4Å; K218-Q222 PolarHBondContact O-N 2.97Å; K218-E348 IonicContact NZ-OE1 3.46Å; K218-E348 PolarHBondContact NZ-OE1 2.78Å
219	K	98.3	Very high	97.3	Very high	76 Å²	76	42.4 Å²	42.4	33%	0.33	20%	0.2	S	C	.	.	H	α-helix	trans	-69.8	-45.6	-178.4	-70.7	-71	-173.1	175.1	0	113.1	Q215 F216 V217 T221 Q222 L223 V351 V353	Q215-K219 PolarHBondContact O-N 3.17Å; Q215-K219 VanDerWaalsContact O-N 3.09Å; F216-K219 PolarHBondContact O-N 2.91Å; V217-K219 PolarHBondContact O-N 3.24Å; K219-T221 VanDerWaalsContact C-N 3.31Å; K219-T221 PolarHBondContact O-N 3.07Å; K219-Q222 WeakPolarHBondContact O-CB 3.2Å; K219-Q222 PolarHBondContact O-N 3.48Å; K219-L223 PolarHBondContact O-N 3.2Å; K219-L223 VanDerWaalsContact O-N 3.1Å; K219-V351 HydrophobicContact CG-CG2 4.07Å; K219-V353 HydrophobicContact CB-CB 4.02Å; K219-V353 HydrophobicContact CB-CG2 3.52Å; K219-V353 HydrophobicContact CG-CG2 4.34Å
220	L	98.8	Very high	97.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.4	-37.7	178	-69.9	167.5	0	0	0	111.7	F216 Q222 L223 A224 L240 L242 V353 L379 L382 I383 F386	F216-L220 HydrophobicContact CB-CD1 4.31Å; F216-L220 VanDerWaalsContact O-CB 3.27Å; F216-L220 WeakPolarHBondContact O-CB 3.44Å; F216-L220 VanDerWaalsContact O-CG 3.26Å; F216-L220 WeakPolarHBondContact O-CG 3.21Å; F216-L220 PolarHBondContact O-N 3.19Å; L220-Q222 VanDerWaalsContact C-N 3.34Å; L220-Q222 PolarHBondContact O-N 3.05Å; L220-L223 PolarHBondContact O-N 2.98Å; L220-A224 WeakPolarHBondContact O-CB 3.48Å; L220-A224 PolarHBondContact O-N 2.86Å; L220-L240 HydrophobicContact CD2-CD1 4.12Å; L220-L242 HydrophobicContact CD2-CD2 4.19Å; L220-V353 HydrophobicContact CD2-CG1 3.62Å; L220-V353 HydrophobicContact CD2-CG2 4.41Å; L220-V353 HydrophobicContact CG-CG1 4.31Å; L220-V353 HydrophobicContact CG-CG2 4.34Å; L220-L379 HydrophobicContact CB-CD1 4.26Å; L220-L379 HydrophobicContact CD2-CD1 3.72Å; L220-L382 HydrophobicContact CD1-CD2 4.12Å; L220-L382 HydrophobicContact CD1-CG 4.13Å; L220-L382 HydrophobicContact CD2-CD2 4Å; L220-I383 HydrophobicContact CB-CD1 4.12Å; L220-I383 HydrophobicContact CB-CG1 3.57Å; L220-I383 HydrophobicContact CD1-CG1 4.41Å; L220-F386 HydrophobicContact CD1-CD2 3.61Å; L220-F386 HydrophobicContact CD1-CE2 3.94Å; L220-F386 HydrophobicContact CD1-CG 4.43Å
221	T	98.7	Very high	97	Very high	47 Å²	47	43 Å²	43	29%	0.288	20%	0.204	S	C	.	.	H	α-helix	trans	-66	-35.7	175.4	-57.1	0	0	0	0	111.9	V217 K219 L223 A224 K225	V217-T221 WeakPolarHBondContact O-CB 3.46Å; V217-T221 PolarHBondContact O-N 2.95Å; V217-T221 PolarHBondContact O-OG1 3.25Å; K219-T221 VanDerWaalsContact C-N 3.31Å; K219-T221 PolarHBondContact O-N 3.07Å; T221-L223 VanDerWaalsContact C-N 3.34Å; T221-A224 PolarHBondContact O-N 2.86Å; T221-K225 WeakPolarHBondContact O-CG 3.42Å; T221-K225 PolarHBondContact O-N 2.79Å
222	Q	98.3	Very high	96.8	Very high	81 Å²	81	42.5 Å²	42.5	38%	0.379	20%	0.202	S	C	.	.	H	α-helix	trans	-64.2	-42.1	173.4	-68.3	169.5	-2.8	0	0	111.1	F96 K218 K219 L220 K225 W226	F96-Q222 HydrophobicContact CE1-CB 4.31Å; F96-Q222 HydrophobicContact CZ-CB 3.75Å; K218-Q222 WeakPolarHBondContact O-CG 3.4Å; K218-Q222 PolarHBondContact O-N 2.97Å; K219-Q222 WeakPolarHBondContact O-CB 3.2Å; K219-Q222 PolarHBondContact O-N 3.48Å; L220-Q222 VanDerWaalsContact C-N 3.34Å; L220-Q222 PolarHBondContact O-N 3.05Å; Q222-K225 PolarHBondContact O-N 3.02Å; Q222-W226 PolarHBondContact O-N 3.17Å
223	L	98.4	Very high	96.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.4	-40.4	175.1	-177.6	59.4	0	0	0	112.1	F96 K219 L220 T221 K225 W226 F227 L240 V353 L355 L379	F96-L223 HydrophobicContact CB-CD1 4.07Å; F96-L223 HydrophobicContact CD1-CB 4.2Å; F96-L223 HydrophobicContact CD1-CD1 4.24Å; F96-L223 HydrophobicContact CD2-CD1 3.93Å; F96-L223 HydrophobicContact CE1-CB 4.06Å; F96-L223 HydrophobicContact CE2-CD1 4.43Å; F96-L223 HydrophobicContact CG-CD1 3.82Å; F96-L223 HydrophobicContact CZ-CB 4.34Å; K219-L223 PolarHBondContact O-N 3.2Å; K219-L223 VanDerWaalsContact O-N 3.1Å; L220-L223 PolarHBondContact O-N 2.98Å; T221-L223 VanDerWaalsContact C-N 3.34Å; L223-K225 VanDerWaalsContact C-N 3.32Å; L223-K225 PolarHBondContact O-N 2.73Å; L223-W226 WeakPolarHBondContact O-CB 3.37Å; L223-W226 PolarHBondContact O-N 2.99Å; L223-W226 VanDerWaalsContact O-N 3.08Å; L223-F227 HydrophobicContact CD1-CD2 4.04Å; L223-F227 HydrophobicContact CD1-CE2 3.88Å; L223-F227 HydrophobicContact CD2-CE2 4.38Å; L223-F227 HydrophobicContact CG-CD2 4.02Å; L223-F227 HydrophobicContact CG-CE2 3.99Å; L223-F227 WeakPolarHBondContact O-CD2 3.47Å; L223-F227 PolarHBondContact O-N 3.27Å; L223-L240 HydrophobicContact CD2-CD1 4.47Å; L223-L240 HydrophobicContact CD2-CD2 3.44Å; L223-L240 VanDerWaalsContact CD2-CD2 3.44Å; L223-V353 HydrophobicContact CD2-CG1 4.38Å; L223-L355 HydrophobicContact CD1-CD1 3.85Å; L223-L355 HydrophobicContact CD1-CG 4.41Å; L223-L355 HydrophobicContact CD2-CD1 4.43Å; L223-L355 HydrophobicContact CD2-CD2 4.41Å; L223-L355 HydrophobicContact CD2-CG 4.14Å; L223-L379 HydrophobicContact CD2-CD2 4.44Å; L223-L379 HydrophobicContact CG-CD2 4.13Å
224	A	98.2	Very high	96.6	Very high	4 Å²	4	42.6 Å²	42.6	3%	0.033	20%	0.202	C	C	.	.	H	α-helix	trans	-60	-42.8	176.8	0	0	0	0	0	111.4	L220 T221 W226 F227 E228 L376 L379 I383	L220-A224 WeakPolarHBondContact O-CB 3.48Å; L220-A224 PolarHBondContact O-N 2.86Å; T221-A224 PolarHBondContact O-N 2.86Å; A224-W226 VanDerWaalsContact C-N 3.27Å; A224-W226 PolarHBondContact O-N 3.27Å; A224-F227 CarbonylContact O-C 3.59Å; A224-F227 WeakPolarHBondContact O-CB 3.47Å; A224-F227 PolarHBondContact O-N 3.16Å; A224-F227 VanDerWaalsContact O-N 3.1Å; A224-E228 VanDerWaalsContact O-CG 3.3Å; A224-E228 WeakPolarHBondContact O-CG 3.43Å; A224-E228 PolarHBondContact O-N 3.38Å; A224-L376 HydrophobicContact CB-CD1 4.36Å; A224-L379 HydrophobicContact CB-CD2 3.8Å; A224-L379 HydrophobicContact CB-CG 4.16Å; A224-I383 HydrophobicContact CB-CD1 3.82Å
225	K	97.7	Very high	96.5	Very high	118 Å²	118	37.9 Å²	37.9	51%	0.513	18%	0.182	S	C	.	.	H	α-helix	trans	-58.2	-39.5	173.4	-72.8	175.8	179.5	-175	0	112.4	T221 Q222 L223 E228 N229	T221-K225 WeakPolarHBondContact O-CG 3.42Å; T221-K225 PolarHBondContact O-N 2.79Å; Q222-K225 PolarHBondContact O-N 3.02Å; L223-K225 VanDerWaalsContact C-N 3.32Å; L223-K225 PolarHBondContact O-N 2.73Å; K225-E228 PolarHBondContact O-N 2.88Å; K225-N229 WeakPolarHBondContact O-CB 3.48Å; K225-N229 PolarHBondContact O-N 3.34Å; K225-N229 PolarHBondContact O-ND2 2.87Å
226	W	97.6	Very high	96.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.5	-47.4	174.4	-179.1	88.4	0	0	0	111.3	I89 L93 Q222 L223 A224 E228 N229 Q230 Y233 F235	I89-W226 HydrophobicContact CG2-CH2 4.49Å; I89-W226 HydrophobicContact CG2-CZ2 3.48Å; I89-W226 VanDerWaalsContact CG2-CZ2 3.48Å; I89-W226 PolarHBondContact O-NE1 3.23Å; L93-W226 HydrophobicContact CB-CZ2 3.76Å; L93-W226 HydrophobicContact CD1-CD2 3.83Å; L93-W226 HydrophobicContact CD1-CE3 3.92Å; L93-W226 HydrophobicContact CD1-CH2 3.87Å; L93-W226 HydrophobicContact CD1-CZ2 3.77Å; L93-W226 HydrophobicContact CD1-CZ3 3.93Å; L93-W226 HydrophobicContact CD2-CH2 3.7Å; L93-W226 HydrophobicContact CD2-CZ2 3.58Å; L93-W226 HydrophobicContact CD2-CZ3 4.49Å; L93-W226 HydrophobicContact CG-CH2 4.26Å; L93-W226 HydrophobicContact CG-CZ2 3.88Å; Q222-W226 PolarHBondContact O-N 3.17Å; L223-W226 WeakPolarHBondContact O-CB 3.37Å; L223-W226 PolarHBondContact O-N 2.99Å; L223-W226 VanDerWaalsContact O-N 3.08Å; A224-W226 VanDerWaalsContact C-N 3.27Å; A224-W226 PolarHBondContact O-N 3.27Å; W226-E228 VanDerWaalsContact C-N 3.27Å; W226-E228 PolarHBondContact O-N 2.86Å; W226-N229 PolarHBondContact O-N 3.03Å; W226-Q230 HydrophobicContact CD2-CB 4.44Å; W226-Q230 HydrophobicContact CD2-CG 4.27Å; W226-Q230 HydrophobicContact CE3-CG 3.93Å; W226-Q230 HydrophobicContact CH2-CB 4.18Å; W226-Q230 HydrophobicContact CH2-CG 3.77Å; W226-Q230 HydrophobicContact CZ2-CB 4.03Å; W226-Q230 HydrophobicContact CZ2-CG 4.12Å; W226-Q230 HydrophobicContact CZ3-CB 4.46Å; W226-Q230 HydrophobicContact CZ3-CG 3.68Å; W226-Q230 WeakPolarHBondContact O-CB 3.24Å; W226-Q230 VanDerWaalsContact O-CG 3.27Å; W226-Q230 WeakPolarHBondContact O-CG 3.31Å; W226-Q230 PolarHBondContact O-N 2.76Å; W226-Y233 HydrophobicContact CH2-CD2 4.41Å; W226-Y233 HydrophobicContact CZ2-CD2 4.43Å; W226-F235 AromaticContact CH2-CE2 3.85Å; W226-F235 HydrophobicContact CH2-CE2 3.85Å; W226-F235 HydrophobicContact CH2-CZ 4.24Å; W226-F235 AromaticContact CZ3-CE2 3.96Å; W226-F235 HydrophobicContact CZ3-CE2 3.96Å
227	F	97	Very high	96.1	Very high	2 Å²	2	37 Å²	37	1%	0.009	18%	0.18	C	C	.	.	H	α-helix	trans	-62.6	-31.8	175.7	-88	-84.1	0	0	0	113.4	L223 A224 F235 L355 D372 F375 L376 L379	L223-F227 HydrophobicContact CD1-CD2 4.04Å; L223-F227 HydrophobicContact CD1-CE2 3.88Å; L223-F227 HydrophobicContact CD2-CE2 4.38Å; L223-F227 HydrophobicContact CG-CD2 4.02Å; L223-F227 HydrophobicContact CG-CE2 3.99Å; L223-F227 WeakPolarHBondContact O-CD2 3.47Å; L223-F227 PolarHBondContact O-N 3.27Å; A224-F227 CarbonylContact O-C 3.59Å; A224-F227 WeakPolarHBondContact O-CB 3.47Å; A224-F227 PolarHBondContact O-N 3.16Å; A224-F227 VanDerWaalsContact O-N 3.1Å; F227-F235 AromaticContact CE1-CD2 3.8Å; F227-F235 HydrophobicContact CE1-CD2 3.8Å; F227-F235 HydrophobicContact CE1-CE2 4.21Å; F227-F235 AromaticContact CZ-CD2 3.97Å; F227-F235 HydrophobicContact CZ-CD2 3.97Å; F227-F235 HydrophobicContact CZ-CE2 4.28Å; F227-L355 HydrophobicContact CE2-CD1 4.1Å; F227-L355 HydrophobicContact CE2-CD2 4.35Å; F227-L355 HydrophobicContact CZ-CD1 4.34Å; F227-L355 HydrophobicContact CZ-CD2 4.35Å; F227-D372 HydrophobicContact CD1-CB 4.23Å; F227-D372 HydrophobicContact CE1-CB 4.37Å; F227-F375 HydrophobicContact CD1-CB 4.29Å; F227-F375 HydrophobicContact CD1-CD1 4.16Å; F227-F375 HydrophobicContact CD1-CG 4.35Å; F227-F375 HydrophobicContact CD2-CD1 4.16Å; F227-F375 HydrophobicContact CD2-CE1 4.31Å; F227-F375 HydrophobicContact CE1-CB 3.78Å; F227-F375 AromaticContact CE1-CD1 3.6Å; F227-F375 HydrophobicContact CE1-CD1 3.6Å; F227-F375 HydrophobicContact CE1-CD2 4.14Å; F227-F375 HydrophobicContact CE1-CE1 4.24Å; F227-F375 AromaticContact CE1-CG 3.57Å; F227-F375 HydrophobicContact CE1-CG 3.57Å; F227-F375 AromaticContact CE2-CD1 3.62Å; F227-F375 HydrophobicContact CE2-CD1 3.62Å; F227-F375 AromaticContact CE2-CE1 3.5Å; F227-F375 HydrophobicContact CE2-CE1 3.5Å; F227-F375 HydrophobicContact CE2-CG 4.34Å; F227-F375 HydrophobicContact CE2-CZ 4.12Å; F227-F375 HydrophobicContact CG-CD1 4.42Å; F227-F375 HydrophobicContact CZ-CB 4.31Å; F227-F375 AromaticContact CZ-CD1 3.31Å; F227-F375 HydrophobicContact CZ-CD1 3.31Å; F227-F375 AromaticContact CZ-CD2 3.92Å; F227-F375 HydrophobicContact CZ-CD2 3.92Å; F227-F375 AromaticContact CZ-CE1 3.47Å; F227-F375 HydrophobicContact CZ-CE1 3.47Å; F227-F375 VanDerWaalsContact CZ-CE1 3.47Å; F227-F375 HydrophobicContact CZ-CE2 4.02Å; F227-F375 AromaticContact CZ-CG 3.57Å; F227-F375 HydrophobicContact CZ-CG 3.57Å; F227-F375 AromaticContact CZ-CZ 3.83Å; F227-F375 HydrophobicContact CZ-CZ 3.83Å; F227-L376 HydrophobicContact CB-CD1 4.05Å; F227-L379 HydrophobicContact CD2-CD2 3.97Å; F227-L379 HydrophobicContact CE2-CD2 4.5Å
228	E	95.4	Very high	96	Very high	76 Å²	76	36 Å²	36	36%	0.355	17%	0.174	S	C	.	.	H	α-helix	trans	-74.5	-29.6	176.5	-73.2	170.4	166.7	0	0	113.1	A224 K225 W226 K371 L376	A224-E228 VanDerWaalsContact O-CG 3.3Å; A224-E228 WeakPolarHBondContact O-CG 3.43Å; A224-E228 PolarHBondContact O-N 3.38Å; K225-E228 PolarHBondContact O-N 2.88Å; W226-E228 VanDerWaalsContact C-N 3.27Å; W226-E228 PolarHBondContact O-N 2.86Å; E228-K371 WeakPolarHBondContact O-CE 3.42Å; E228-K371 PolarHBondContact O-NZ 3.28Å; E228-L376 HydrophobicContact CG-CD1 4.1Å; E228-L376 HydrophobicContact CG-CD2 3.94Å
229	N	94.1	Very high	96	Very high	103 Å²	103	31.2 Å²	31.2	55%	0.551	15%	0.154	S	C	*	.	H	α-helix	trans	-88.9	-39.6	-177.9	-71	-19.9	0	0	0	112.6	K225 W226	K225-N229 WeakPolarHBondContact O-CB 3.48Å; K225-N229 PolarHBondContact O-N 3.34Å; K225-N229 PolarHBondContact O-ND2 2.87Å; W226-N229 PolarHBondContact O-N 3.03Å
230	Q	93.3	Very high	96	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.138	C	C	.	.			trans	-70.3	149.5	175.3	78	84.2	16.1	0	0	110.3	I89 W226 Y232 Y233	I89-Q230 HydrophobicContact CD1-CB 4.14Å; I89-Q230 HydrophobicContact CG2-CB 3.51Å; W226-Q230 HydrophobicContact CD2-CB 4.44Å; W226-Q230 HydrophobicContact CD2-CG 4.27Å; W226-Q230 HydrophobicContact CE3-CG 3.93Å; W226-Q230 HydrophobicContact CH2-CB 4.18Å; W226-Q230 HydrophobicContact CH2-CG 3.77Å; W226-Q230 HydrophobicContact CZ2-CB 4.03Å; W226-Q230 HydrophobicContact CZ2-CG 4.12Å; W226-Q230 HydrophobicContact CZ3-CB 4.46Å; W226-Q230 HydrophobicContact CZ3-CG 3.68Å; W226-Q230 WeakPolarHBondContact O-CB 3.24Å; W226-Q230 VanDerWaalsContact O-CG 3.27Å; W226-Q230 WeakPolarHBondContact O-CG 3.31Å; W226-Q230 PolarHBondContact O-N 2.76Å; Q230-Y232 VanDerWaalsContact OE1-N 3.15Å; Q230-Y233 PolarHBondContact NE2-O 3.07Å; Q230-Y233 PolarHBondContact OE1-O 3.47Å
231	N	91	Very high	96	Very high	80 Å²	80	28.7 Å²	28.7	43%	0.428	14%	0.144	S	C	.	.			trans	-142.4	17.9	-160.5	99.3	-72.6	0	0	0	112.7	I370	N231-I370 CarbonylContact C-O 3.45Å; N231-I370 WeakPolarHBondContact CA-O 3.32Å; N231-I370 HydrophobicContact CB-CG2 3.24Å; N231-I370 WeakPolarHBondContact ND2-CG2 3.42Å; N231-I370 WeakPolarHBondContact O-CG2 3.46Å
232	Y	91.4	Very high	96	Very high	50 Å²	50	26.5 Å²	26.5	20%	0.196	13%	0.13	C	C	.	.	S	Bend	trans	-158.9	-16.1	-177.4	48.2	-92.4	0	0	0	115.3	D87 I89 Q230 E362 L363 V364	D87-Y232 VanDerWaalsContact CG-OH 3.26Å; D87-Y232 PolarHBondContact OD1-OH 3.33Å; D87-Y232 PolarHBondContact OD2-OH 2.88Å; I89-Y232 WeakPolarHBondContact CB-OH 3.29Å; I89-Y232 HydrophobicContact CG1-CE1 4.47Å; I89-Y232 WeakPolarHBondContact CG1-OH 3.17Å; Q230-Y232 VanDerWaalsContact OE1-N 3.15Å; Y232-E362 VanDerWaalsContact O-O 3.11Å; Y232-L363 HydrophobicContact CD2-CD2 3.55Å; Y232-L363 HydrophobicContact CE2-CD2 4.22Å; Y232-L363 CarbonylContact O-C 3.45Å; Y232-L363 VanDerWaalsContact O-CA 3.23Å; Y232-L363 WeakPolarHBondContact O-CA 3.49Å; Y232-V364 WeakPolarHBondContact CB-O 3.41Å; Y232-V364 PolarHBondContact O-N 3.23Å
233	Y	94.6	Very high	96	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	117.2	172.9	-70.4	-72.8	0	0	0	110.5	R79 I89 L90 W226 Q230 W361 L363	R79-Y233 PolarHBondContact NE-OH 2.87Å; R79-Y233 PolarHBondContact NH2-OH 2.93Å; I89-Y233 HydrophobicContact CG2-CD2 3.99Å; I89-Y233 HydrophobicContact CG2-CE2 4.05Å; L90-Y233 VanDerWaalsContact CD1-OH 3.27Å; L90-Y233 WeakPolarHBondContact CD1-OH 3.35Å; L90-Y233 HydrophobicContact CD2-CD2 4.49Å; L90-Y233 HydrophobicContact CD2-CE1 4.13Å; L90-Y233 HydrophobicContact CD2-CE2 3.59Å; L90-Y233 VanDerWaalsContact CD2-CZ 3.44Å; L90-Y233 WeakPolarHBondContact CD2-OH 3.33Å; L90-Y233 HydrophobicContact CG-CE2 3.87Å; L90-Y233 WeakPolarHBondContact CG-OH 3.39Å; W226-Y233 HydrophobicContact CH2-CD2 4.41Å; W226-Y233 HydrophobicContact CZ2-CD2 4.43Å; Q230-Y233 PolarHBondContact NE2-O 3.07Å; Q230-Y233 PolarHBondContact OE1-O 3.47Å; Y233-W361 HydrophobicContact CD1-CE3 4.15Å; Y233-W361 HydrophobicContact CD1-CZ3 4.34Å; Y233-W361 HydrophobicContact CE1-CE3 4.3Å; Y233-W361 HydrophobicContact CE1-CZ3 4.05Å; Y233-L363 HydrophobicContact CD1-CD2 3.72Å; Y233-L363 HydrophobicContact CE1-CD2 3.34Å; Y233-L363 HydrophobicContact CE1-CG 4.38Å; Y233-L363 HydrophobicContact CG-CD2 4.42Å
234	H	95.2	Very high	95.9	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.009	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	136.4	171	-73.7	-161	0	0	0	109.9	Y236 W361 E362 V364 K371 D372	H234-Y236 HydrophobicContact CB-CE2 3.91Å; H234-W361 CarbonylContact O-C 3.55Å; H234-W361 WeakPolarHBondContact O-CA 3.5Å; H234-E362 HydrophobicContact CB-CG 3.85Å; H234-E362 PolarHBondContact N-O 2.92Å; H234-E362 PolarHBondContact O-N 3.48Å; H234-V364 HydrophobicContact CB-CG2 4.12Å; H234-V364 WeakPolarHBondContact ND1-CG2 3.2Å; H234-K371 PolarHBondContact NE2-O 2.88Å; H234-D372 WeakPolarHBondContact CA-OD2 3.48Å
235	F	96.3	Very high	95.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	131.7	-177.5	-60.2	-86.5	0	0	0	110.7	F76 L93 W226 F227 F358 W361 D372 F375	F76-F235 HydrophobicContact CD2-CE1 4.3Å; F76-F235 HydrophobicContact CE1-CE1 4.29Å; F76-F235 AromaticContact CE2-CE1 3.54Å; F76-F235 HydrophobicContact CE2-CE1 3.54Å; F76-F235 AromaticContact CE2-CZ 3.8Å; F76-F235 HydrophobicContact CE2-CZ 3.8Å; F76-F235 AromaticContact CZ-CE1 3.53Å; F76-F235 HydrophobicContact CZ-CE1 3.53Å; F76-F235 AromaticContact CZ-CZ 3.76Å; F76-F235 HydrophobicContact CZ-CZ 3.76Å; L93-F235 HydrophobicContact CD2-CZ 4.26Å; W226-F235 AromaticContact CH2-CE2 3.85Å; W226-F235 HydrophobicContact CH2-CE2 3.85Å; W226-F235 HydrophobicContact CH2-CZ 4.24Å; W226-F235 AromaticContact CZ3-CE2 3.96Å; W226-F235 HydrophobicContact CZ3-CE2 3.96Å; F227-F235 AromaticContact CE1-CD2 3.8Å; F227-F235 HydrophobicContact CE1-CD2 3.8Å; F227-F235 HydrophobicContact CE1-CE2 4.21Å; F227-F235 AromaticContact CZ-CD2 3.97Å; F227-F235 HydrophobicContact CZ-CD2 3.97Å; F227-F235 HydrophobicContact CZ-CE2 4.28Å; F235-F358 AromaticContact CD1-CD1 3.86Å; F235-F358 HydrophobicContact CD1-CD1 3.86Å; F235-F358 HydrophobicContact CD1-CE1 4.31Å; F235-F358 AromaticContact CE1-CD1 3.73Å; F235-F358 HydrophobicContact CE1-CD1 3.73Å; F235-F358 HydrophobicContact CE1-CE1 4.03Å; F235-W361 HydrophobicContact CD1-CB 3.91Å; F235-W361 HydrophobicContact CE1-CB 4.14Å; F235-D372 PolarHBondContact N-OD2 2.91Å; F235-F375 HydrophobicContact CB-CD2 4.1Å; F235-F375 HydrophobicContact CB-CE2 4.46Å
236	Y	95.1	Very high	95.4	Very high	1 Å²	1	18.1 Å²	18.1	0%	0.004	9%	0.093	C	C	.	.	S	Bend	trans	-122.5	128.2	179.1	-59.6	-86.8	0	0	0	109.8	Y138 A139 P140 H234 S238 R360 E362	Y138-Y236 WeakPolarHBondContact O-CD1 3.47Å; A139-Y236 HydrophobicContact CB-CD1 4.41Å; A139-Y236 HydrophobicContact CB-CD2 3.93Å; A139-Y236 HydrophobicContact CB-CE2 4.09Å; A139-Y236 HydrophobicContact CB-CG 4.1Å; P140-Y236 WeakPolarHBondContact CD-OH 3.18Å; H234-Y236 HydrophobicContact CB-CE2 3.91Å; Y236-S238 PolarHBondContact O-N 3.42Å; Y236-S238 VanDerWaalsContact O-N 3.07Å; Y236-R360 HydrophobicContact CD2-CG 4.07Å; Y236-R360 HydrophobicContact CG-CG 4.31Å; Y236-R360 PolarHBondContact N-O 3.35Å; Y236-E362 HydrophobicContact CE2-CG 3.95Å; Y236-E362 PolarHBondContact OH-OE1 2.67Å; Y236-E362 VanDerWaalsContact OH-OE1 3.11Å
237	A	92.3	Very high	94.4	Very high	13 Å²	13	21.5 Å²	21.5	11%	0.107	11%	0.11	C	C	.	.	S	Bend	trans	61.7	9.2	-179.5	0	0	0	0	0	115.7	K132 T137	K132-A237 HydrophobicContact CD-CB 4.25Å; K132-A237 PolarHBondContact NZ-O 3.28Å; T137-A237 HydrophobicContact CG2-CB 4.03Å
238	S	96.8	Very high	93	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.007	13%	0.129	C	C	.	.			trans	-67.1	154.2	167	-61.8	0	0	0	0	111	M133 Y236 I356 D357	M133-S238 PolarHBondContact N-O 2.81Å; Y236-S238 PolarHBondContact O-N 3.42Å; Y236-S238 VanDerWaalsContact O-N 3.07Å; S238-I356 WeakPolarHBondContact CB-O 3.38Å; S238-D357 WeakPolarHBondContact CA-O 3.27Å; S238-D357 PolarHBondContact OG-O 2.82Å
239	S	97.7	Very high	90.9	Very high	2 Å²	2	27 Å²	27	1%	0.014	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	154.5	-176.3	-79.7	0	0	0	0	112.1	D130 L131 K132 L355 I356	D130-S239 WeakPolarHBondContact OD1-CB 3.33Å; D130-S239 PolarHBondContact OD1-OG 3.44Å; L131-S239 CarbonylContact O-C 3.55Å; L131-S239 WeakPolarHBondContact O-CA 3.49Å; K132-S239 WeakPolarHBondContact CA-OG 3.36Å; S239-L355 WeakPolarHBondContact O-CA 3.27Å; S239-I356 PolarHBondContact N-O 2.7Å; S239-I356 PolarHBondContact O-N 2.86Å
240	L	98.3	Very high	88.4	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	124.4	157.7	-68.6	173.5	0	0	0	109.2	L131 M133 L220 L223 L242 V353 Y354 L355 F375 L379 L382	L131-L240 HydrophobicContact CB-CB 4.4Å; L131-L240 PolarHBondContact N-O 2.92Å; L131-L240 PolarHBondContact O-N 3.28Å; M133-L240 HydrophobicContact CE-CD1 3.81Å; M133-L240 HydrophobicContact CG-CB 4.4Å; M133-L240 HydrophobicContact CG-CD1 4.04Å; M133-L240 HydrophobicContact CG-CG 3.82Å; M133-L240 HydrophobicContact SD-CB 4.38Å; M133-L240 HydrophobicContact SD-CD1 3.75Å; M133-L240 HydrophobicContact SD-CG 4.05Å; L220-L240 HydrophobicContact CD2-CD1 4.12Å; L223-L240 HydrophobicContact CD2-CD1 4.47Å; L223-L240 HydrophobicContact CD2-CD2 3.44Å; L223-L240 VanDerWaalsContact CD2-CD2 3.44Å; L240-L242 HydrophobicContact CB-CD2 4.43Å; L240-V353 HydrophobicContact CD2-CG1 4.48Å; L240-Y354 CarbonylContact C-O 3.58Å; L240-Y354 WeakPolarHBondContact CA-O 3.38Å; L240-L355 HydrophobicContact CD2-CD2 3.48Å; L240-L355 VanDerWaalsContact CD2-CD2 3.48Å; L240-L355 HydrophobicContact CD2-CG 3.85Å; L240-L355 HydrophobicContact CG-CD2 4.35Å; L240-F375 HydrophobicContact CD1-CE1 4.4Å; L240-F375 HydrophobicContact CD1-CZ 4.45Å; L240-F375 HydrophobicContact CD2-CZ 4.28Å; L240-F375 HydrophobicContact CG-CZ 4.13Å; L240-L379 HydrophobicContact CD1-CD1 3.97Å; L240-L382 HydrophobicContact CD1-CD2 4.14Å
241	L	98.4	Very high	85.7	Confident	23 Å²	23	35.1 Å²	35.1	12%	0.12	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	116.4	164.7	-177.3	65	0	0	0	108.9	I38 L119 Y354 I356	I38-L241 HydrophobicContact CD1-CD1 4.47Å; L119-L241 HydrophobicContact CD1-CD2 4.16Å; L241-Y354 PolarHBondContact N-O 3.44Å; L241-Y354 PolarHBondContact O-N 3.19Å; L241-I356 HydrophobicContact CB-CD1 4Å; L241-I356 HydrophobicContact CB-CG1 4.46Å
242	L	98.7	Very high	83.1	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	136	169.8	-49.8	-173.6	0	0	0	108.9	L128 C129 L131 F201 F216 L220 L240 L352 V353 L382 F386	L128-L242 CarbonylContact C-O 3.57Å; L128-L242 WeakPolarHBondContact CA-O 3.25Å; C129-L242 HydrophobicContact CB-CB 4.26Å; C129-L242 PolarHBondContact N-O 2.9Å; C129-L242 PolarHBondContact O-N 2.82Å; L131-L242 HydrophobicContact CD1-CD1 3.55Å; L131-L242 HydrophobicContact CD1-CG 3.95Å; F201-L242 HydrophobicContact CE1-CB 3.94Å; F201-L242 HydrophobicContact CE1-CD1 4.29Å; F201-L242 HydrophobicContact CZ-CB 3.79Å; F216-L242 HydrophobicContact CD1-CD2 4.38Å; F216-L242 HydrophobicContact CE1-CB 3.78Å; F216-L242 HydrophobicContact CE1-CD2 4.33Å; F216-L242 HydrophobicContact CE1-CG 4.44Å; F216-L242 HydrophobicContact CZ-CB 4.25Å; L220-L242 HydrophobicContact CD2-CD2 4.19Å; L240-L242 HydrophobicContact CB-CD2 4.43Å; L242-L352 WeakPolarHBondContact CA-O 3.15Å; L242-V353 HydrophobicContact CD2-CB 4.3Å; L242-V353 HydrophobicContact CD2-CG1 4.01Å; L242-V353 HydrophobicContact CD2-CG2 3.91Å; L242-L382 HydrophobicContact CD1-CD2 4.47Å; L242-F386 HydrophobicContact CD1-CE2 3.62Å; L242-F386 HydrophobicContact CD1-CZ 3.6Å
243	A	98.2	Very high	80.3	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	154.1	177.6	0	0	0	0	0	113.6	L120 F123 S127 L128 V351 L352	L120-A243 HydrophobicContact CD2-CB 3.71Å; F123-A243 HydrophobicContact CE2-CB 4.04Å; S127-A243 WeakPolarHBondContact O-CA 3.26Å; L128-A243 HydrophobicContact CD2-CB 3.33Å; A243-V351 CarbonylContact O-C 3.59Å; A243-V351 WeakPolarHBondContact O-CA 3.37Å; A243-L352 HydrophobicContact CB-CB 4.09Å; A243-L352 HydrophobicContact CB-CD1 4.12Å; A243-L352 PolarHBondContact N-O 3.22Å; A243-L352 VanDerWaalsContact N-O 3.09Å; A243-L352 PolarHBondContact O-N 3Å
244	Y	97.3	Very high	77.4	Confident	6 Å²	6	54.5 Å²	54.5	2%	0.024	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	157.8	166.2	64.9	-91	0	0	0	109.7	F123 S127 F201 L202 L212 F216	F123-Y244 VanDerWaalsContact CE2-CA 3.5Å; S127-Y244 PolarHBondContact N-O 3.3Å; S127-Y244 PolarHBondContact O-N 3.37Å; S127-Y244 VanDerWaalsContact O-N 3.07Å; S127-Y244 PolarHBondContact OG-OH 3.03Å; F201-Y244 HydrophobicContact CD2-CE1 4.3Å; F201-Y244 HydrophobicContact CE1-CD1 4.41Å; F201-Y244 HydrophobicContact CE1-CE1 4.31Å; F201-Y244 HydrophobicContact CE2-CD1 4.12Å; F201-Y244 AromaticContact CE2-CE1 3.83Å; F201-Y244 HydrophobicContact CE2-CE1 3.83Å; F201-Y244 AromaticContact CZ-CD1 3.8Å; F201-Y244 HydrophobicContact CZ-CD1 3.8Å; F201-Y244 AromaticContact CZ-CE1 3.85Å; F201-Y244 HydrophobicContact CZ-CE1 3.85Å; F201-Y244 WeakPolarHBondContact O-CE1 3.46Å; F201-Y244 PolarHBondContact O-OH 3.49Å; L202-Y244 PolarHBondContact O-OH 3.14Å; L212-Y244 HydrophobicContact CD1-CD1 4.14Å; L212-Y244 HydrophobicContact CD1-CD2 3.9Å; L212-Y244 HydrophobicContact CD1-CE1 3.99Å; L212-Y244 HydrophobicContact CD1-CE2 3.76Å; L212-Y244 HydrophobicContact CD1-CG 4.09Å; L212-Y244 HydrophobicContact CD2-CD1 4.22Å; L212-Y244 HydrophobicContact CD2-CD2 4.01Å; L212-Y244 HydrophobicContact CD2-CG 3.75Å; F216-Y244 HydrophobicContact CE2-CD1 4.11Å; F216-Y244 HydrophobicContact CZ-CD1 4.16Å
245	D	95.1	Very high	74.5	Confident	17 Å²	17	62.3 Å²	62.3	9%	0.091	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	129.4	172.8	-163.2	-5	0	0	0	109.8	F123 K124 H125 R208 I247	F123-D245 WeakPolarHBondContact CA-OD2 3.37Å; F123-D245 HydrophobicContact CB-CB 4.2Å; F123-D245 HydrophobicContact CD1-CB 4.03Å; F123-D245 HydrophobicContact CD2-CB 4.05Å; F123-D245 HydrophobicContact CE1-CB 4.41Å; F123-D245 HydrophobicContact CE2-CB 4.44Å; F123-D245 HydrophobicContact CG-CB 3.84Å; K124-D245 PolarHBondContact N-OD1 3.25Å; K124-D245 PolarHBondContact N-OD2 2.67Å; H125-D245 VanDerWaalsContact C-OD1 3.3Å; H125-D245 WeakPolarHBondContact CA-OD1 3.42Å; H125-D245 PolarHBondContact N-OD1 3.07Å; R208-D245 PolarHBondContact NH2-O 3.45Å; D245-I247 VanDerWaalsContact C-N 3.3Å; D245-I247 PolarHBondContact O-N 3.46Å
246	S	88.8	Confident	71.5	Confident	4 Å²	4	68 Å²	68	3%	0.028	35%	0.354	C	S	.	.	S	Bend	trans	-85.5	-2.2	-168.8	-49.3	0	0	0	0	113.5	H125 S127 F170 R208	H125-S246 WeakPolarHBondContact O-CB 3.48Å; H125-S246 PolarHBondContact O-N 3.46Å; H125-S246 PolarHBondContact O-OG 2.91Å; S127-S246 WeakPolarHBondContact CB-OG 3.41Å; S127-S246 PolarHBondContact OG-OG 2.93Å; F170-S246 WeakPolarHBondContact CB-OG 3.37Å; R208-S246 VanDerWaalsContact NH1-C 3.32Å; R208-S246 PolarHBondContact NH1-O 3.33Å
247	I	77.5	Confident	68.7	Low	71 Å²	71	73.5 Å²	73.5	36%	0.364	39%	0.393	S	S	.	.	S	Bend	trans	-127.6	135.8	169.5	-54.2	-172.3	0	0	0	108.1	H125 F170 D245 L249	H125-I247 HydrophobicContact CB-CG1 4.2Å; H125-I247 WeakPolarHBondContact CD2-CD1 3.45Å; F170-I247 HydrophobicContact CE1-CD1 3.84Å; F170-I247 HydrophobicContact CE1-CG1 3.91Å; F170-I247 HydrophobicContact CZ-CD1 4.2Å; D245-I247 VanDerWaalsContact C-N 3.3Å; D245-I247 PolarHBondContact O-N 3.46Å; I247-L249 PolarHBondContact O-N 3.31Å
248	F	66.7	Low	66.3	Low	95 Å²	95	81.4 Å²	81.4	42%	0.417	43%	0.427	S	S	.	.			trans	-64.4	131.7	172.3	-64.3	-80.8	0	0	0	109.7	N250 E349	F248-N250 VanDerWaalsContact C-N 3.25Å; F248-N250 PolarHBondContact O-N 3.42Å; F248-E349 WeakPolarHBondContact CE1-OE2 3.49Å; F248-E349 WeakPolarHBondContact CZ-OE1 3.31Å
249	L	52.3	Low	63.5	Low	98 Å²	98	87 Å²	87	51%	0.513	46%	0.464	S	S	.	.			trans	-65.4	90.3	162.1	-81.7	139.1	0	0	0	108.2	K124 I247 N251	K124-L249 HydrophobicContact CD-CD2 4.41Å; I247-L249 PolarHBondContact O-N 3.31Å; L249-N251 PolarHBondContact O-N 2.89Å; L249-N251 VanDerWaalsContact O-N 3.16Å
250	N	41.5	Very low	60.7	Low	114 Å²	114	93.2 Å²	93.2	61%	0.61	50%	0.502	S	S	*	.			trans	-65.2	111.5	157.1	-83.7	-0.5	0	0	0	106.7	F248 E252	F248-N250 VanDerWaalsContact C-N 3.25Å; F248-N250 PolarHBondContact O-N 3.42Å; N250-E252 PolarHBondContact O-N 2.98Å
251	N	37.6	Very low	57.7	Low	160 Å²	160	99.2 Å²	99.2	86%	0.856	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	27.1	173.2	-111.2	3.3	0	0	0	112.9	L249	L249-N251 PolarHBondContact O-N 2.89Å; L249-N251 VanDerWaalsContact O-N 3.16Å
252	E	34.9	Very low	54.8	Low	173 Å²	173	104.5 Å²	104.5	81%	0.808	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.2	19.1	-170.3	-76.1	-167.3	153.5	0	0	115.6	N250	N250-E252 PolarHBondContact O-N 2.98Å
253	M	32.4	Very low	51.8	Low	183 Å²	183	110.5 Å²	110.5	90%	0.901	61%	0.609	S	S	*	*	S	Bend	trans	-125.2	40.9	172.5	-75	-167.3	-178	0	0	114.5
254	M	34.2	Very low	49	Very low	182 Å²	182	117.1 Å²	117.1	90%	0.897	65%	0.65	S	S	*	*	S	Bend	trans	-120.9	18.2	170.4	-76.3	-68.6	168.8	0	0	114.4
255	I	34.3	Very low	46.2	Very low	166 Å²	166	121.9 Å²	121.9	85%	0.851	68%	0.684	S	S	*	*	S	Bend	trans	-133.8	87.3	172.2	-51.6	176.8	0	0	0	109.3
256	S	32.5	Very low	43.9	Very low	118 Å²	118	126.8 Å²	126.8	83%	0.825	72%	0.719	S	S	*	*			trans	156.3	92.5	145	-177.1	0	0	0	0	110.5
257	S	36.7	Very low	41.5	Very low	117 Å²	117	132 Å²	132	82%	0.818	76%	0.756	S	S	*	*			trans	-158.1	86.1	145.6	59.1	0	0	0	0	108.3
258	H	42.7	Very low	39.9	Very low	179 Å²	179	133.9 Å²	133.9	83%	0.829	78%	0.775	S	S	*	*			trans	-60.1	140.2	161.6	-93.2	-42.6	0	0	0	109.6	T260	H258-T260 PolarHBondContact O-N 2.77Å
259	P	37.5	Very low	38.5	Very low	120 Å²	120	135.4 Å²	135.4	78%	0.779	79%	0.793	S	S	*	*			trans	-80	120.6	176	31.6	-28.6	0	0	0	108.6
260	T	38.7	Very low	37.6	Very low	131 Å²	131	137.1 Å²	137.1	80%	0.804	81%	0.807	S	S	*	*			trans	-118.7	102.2	163.9	-40.2	0	0	0	0	108.9	H258 T262	H258-T260 PolarHBondContact O-N 2.77Å; T260-T262 PolarHBondContact O-N 2.85Å
261	T	34.9	Very low	37.3	Very low	127 Å²	127	137.5 Å²	137.5	78%	0.779	81%	0.814	S	S	*	*			trans	-56.2	122	163	25.1	0	0	0	0	110.7
262	T	37.8	Very low	37.1	Very low	134 Å²	134	136 Å²	136	82%	0.822	81%	0.811	S	S	*	*				-167.5	133.3	122.6	2.2	0	0	0	0	113	T260	T260-T262 PolarHBondContact O-N 2.85Å
263	T	35.5	Very low	36.9	Very low	125 Å²	125	133.9 Å²	133.9	77%	0.767	81%	0.81	S	S	*	*			trans	-44.3	133.9	169.5	30.4	0	0	0	0	116.3
264	T	40	Very low	37	Very low	140 Å²	140	131.7 Å²	131.7	86%	0.859	81%	0.807	S	S	*	*				-165.3	143.3	116.3	15.1	0	0	0	0	113.5
265	S	39.6	Very low	36.9	Very low	106 Å²	106	129 Å²	129	74%	0.741	80%	0.8	S	S	*	*			trans	-60.2	139.5	-178.2	46.2	0	0	0	0	116.1
266	S	45.1	Very low	36.8	Very low	120 Å²	120	126.3 Å²	126.3	84%	0.839	79%	0.794	S	S	*	*				-170.7	130.6	124.2	32.7	0	0	0	0	112.4
267	S	39.5	Very low	36.8	Very low	113 Å²	113	124.9 Å²	124.9	79%	0.79	78%	0.784	S	S	*	*			trans	-40.6	137	168.8	42.7	0	0	0	0	116.9
268	S	43.2	Very low	36.5	Very low	110 Å²	110	125.7 Å²	125.7	77%	0.769	78%	0.778	S	S	*	*				179.3	127.4	117.6	37.7	0	0	0	0	114
269	T	37.8	Very low	36.2	Very low	128 Å²	128	124.1 Å²	124.1	79%	0.785	77%	0.771	S	S	*	*			trans	68.2	100.8	143.9	-32.9	0	0	0	0	120.1
270	T	33.6	Very low	36.2	Very low	133 Å²	133	124 Å²	124	82%	0.816	76%	0.76	S	S	*	*			trans	-84.3	118	165.5	-34.9	0	0	0	0	109.9
271	T	34.7	Very low	36	Very low	123 Å²	123	125.3 Å²	125.3	76%	0.755	76%	0.757	S	S	*	*			trans	-111.5	108.3	159.7	29.6	0	0	0	0	108.3	T273	T271-T273 PolarHBondContact O-N 3.36Å
272	T	32.9	Very low	36.4	Very low	128 Å²	128	127.4 Å²	127.4	79%	0.785	76%	0.757	S	S	*	*			trans	-75.4	104.9	169	37.9	0	0	0	0	109.4
273	T	31.8	Very low	36.2	Very low	129 Å²	129	129.2 Å²	129.2	79%	0.791	76%	0.762	S	S	*	*			trans	-95.7	104.7	162.5	14.3	0	0	0	0	108.7	T271 T275	T271-T273 PolarHBondContact O-N 3.36Å; T273-T275 PolarHBondContact O-N 2.89Å
274	T	33.3	Very low	36.8	Very low	137 Å²	137	124.1 Å²	124.1	84%	0.84	73%	0.732	S	S	*	*			trans	-72.2	110.5	161.7	34.7	0	0	0	0	108.5
275	T	32.2	Very low	37.3	Very low	124 Å²	124	120.9 Å²	120.9	76%	0.761	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-83.2	128.7	168.5	27.2	0	0	0	0	109.8	T273	T273-T275 PolarHBondContact O-N 2.89Å
276	P	32.2	Very low	38	Very low	111 Å²	111	125 Å²	125	72%	0.721	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-79.1	129.8	176.1	30.3	-28.9	0	0	0	109.7	L278	P276-L278 PolarHBondContact O-N 3.19Å
277	S	32.5	Very low	38.5	Very low	88 Å²	88	123.4 Å²	123.4	62%	0.615	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-57.5	118.6	167	53.7	0	0	0	0	109.6	H279	S277-H279 PolarHBondContact O-N 3.21Å
278	L	31	Very low	39.4	Very low	133 Å²	133	121.9 Å²	121.9	70%	0.696	68%	0.675	S	S	*	*			trans	-68	98.2	173.1	-86.6	109.4	0	0	0	109.7	P276	P276-L278 PolarHBondContact O-N 3.19Å
279	H	37.6	Very low	40.1	Very low	147 Å²	147	121.2 Å²	121.2	68%	0.681	66%	0.663	S	S	*	*			trans	-84.3	106.8	160	-76.1	-66.3	0	0	0	108.2	S277 H281	S277-H279 PolarHBondContact O-N 3.21Å; H279-H281 VanDerWaalsContact C-N 3.32Å; H279-H281 PolarHBondContact O-N 3.05Å
280	H	36.9	Very low	41.4	Very low	118 Å²	118	121.8 Å²	121.8	55%	0.546	65%	0.654	S	S	.	*			trans	-69.8	92.1	166.4	-83.7	-56.3	0	0	0	109.3	H282 T405	H280-H282 PolarHBondContact O-N 3.08Å; H280-H282 VanDerWaalsContact O-N 3.16Å; H280-T405 PolarHBondContact CE1-O 2.92Å; H280-T405 PolarHBondContact NE2-O 3.44Å
281	H	35.1	Very low	42.8	Very low	157 Å²	157	116.1 Å²	116.1	73%	0.727	62%	0.618	S	S	*	*			trans	-74.7	96.2	165.2	-86.6	-51.9	0	0	0	109.3	H279 N283	H279-H281 VanDerWaalsContact C-N 3.32Å; H279-H281 PolarHBondContact O-N 3.05Å; H281-N283 PolarHBondContact O-N 3.07Å
282	H	41.5	Very low	43.9	Very low	171 Å²	171	114.1 Å²	114.1	79%	0.792	60%	0.603	S	S	*	*			trans	-75.3	118.4	164.2	-120.9	-39	0	0	0	108.6	H280 S284	H280-H282 PolarHBondContact O-N 3.08Å; H280-H282 VanDerWaalsContact O-N 3.16Å; H282-S284 WeakPolarHBondContact O-CB 3.35Å; H282-S284 PolarHBondContact O-N 3.24Å
283	N	33.8	Very low	45.2	Very low	172 Å²	172	114.6 Å²	114.6	92%	0.92	60%	0.597	S	S	*	*	S	Bend	trans	-11.3	85.3	171.2	-108.3	-9.8	0	0	0	115.3	H281	H281-N283 PolarHBondContact O-N 3.07Å
284	S	49.7	Very low	46.7	Very low	19 Å²	19	109.6 Å²	109.6	13%	0.133	57%	0.565	C	S	.	*			trans	-106	-6.6	-167.4	62.2	0	0	0	0	115.2	H282 Y286 Q287 E288	H282-S284 WeakPolarHBondContact O-CB 3.35Å; H282-S284 PolarHBondContact O-N 3.24Å; S284-Y286 VanDerWaalsContact C-N 3.32Å; S284-Y286 PolarHBondContact O-N 3.05Å; S284-Y286 VanDerWaalsContact O-N 3.1Å; S284-Q287 PolarHBondContact O-N 3.44Å; S284-E288 WeakPolarHBondContact CB-OE1 3.35Å; S284-E288 PolarHBondContact O-N 2.96Å; S284-E288 PolarHBondContact OG-OE1 3.4Å
285	S	50.2	Low	48	Very low	72 Å²	72	103.6 Å²	103.6	50%	0.503	53%	0.529	S	S	.	.	H	α-helix	trans	-55.9	-43	-164.4	89.4	0	0	0	0	113.6	Q287 D289	S285-Q287 VanDerWaalsContact C-N 3.33Å; S285-Q287 PolarHBondContact O-N 3.44Å; S285-D289 WeakPolarHBondContact O-CB 3.38Å; S285-D289 VanDerWaalsContact O-CG 3.24Å; S285-D289 PolarHBondContact O-N 3.35Å
286	Y	54	Low	49.1	Very low	193 Å²	193	101.3 Å²	101.3	76%	0.757	51%	0.512	S	S	*	.	H	α-helix	trans	-69	-27.9	178.3	-76.3	-75.4	0	0	0	114.2	S284 K290	S284-Y286 VanDerWaalsContact C-N 3.32Å; S284-Y286 PolarHBondContact O-N 3.05Å; S284-Y286 VanDerWaalsContact O-N 3.1Å; Y286-K290 WeakPolarHBondContact O-CG 3.39Å; Y286-K290 PolarHBondContact O-N 3.17Å
287	Q	55.3	Low	50.4	Low	86 Å²	86	99.9 Å²	99.9	40%	0.402	50%	0.497	S	S	.	.	H	α-helix	trans	-85	-36.7	178.8	-68.8	-172.4	-11.3	0	0	111.1	F183 S284 S285 K290 E291	F183-Q287 HydrophobicContact CD1-CB 3.63Å; F183-Q287 HydrophobicContact CD1-CG 4.46Å; F183-Q287 HydrophobicContact CE1-CB 3.59Å; S284-Q287 PolarHBondContact O-N 3.44Å; S285-Q287 VanDerWaalsContact C-N 3.33Å; S285-Q287 PolarHBondContact O-N 3.44Å; Q287-K290 WeakPolarHBondContact O-CB 3.49Å; Q287-K290 PolarHBondContact O-N 3.31Å; Q287-E291 PolarHBondContact O-N 3.36Å
288	E	58.6	Low	51.8	Low	80 Å²	80	96.6 Å²	96.6	37%	0.374	47%	0.472	S	S	.	.	H	α-helix	trans	-60	-45.6	170.5	-80.1	172.9	-163.4	0	0	111.5	F183 S284 K290 E291 I292	F183-E288 HydrophobicContact CE2-CG 4.1Å; F183-E288 HydrophobicContact CZ-CG 3.89Å; S284-E288 WeakPolarHBondContact CB-OE1 3.35Å; S284-E288 PolarHBondContact O-N 2.96Å; S284-E288 PolarHBondContact OG-OE1 3.4Å; E288-K290 VanDerWaalsContact C-N 3.27Å; E288-K290 PolarHBondContact O-N 2.84Å; E288-E291 WeakPolarHBondContact O-CA 3.29Å; E288-E291 WeakPolarHBondContact O-CB 3.46Å; E288-E291 PolarHBondContact O-N 3.1Å; E288-I292 WeakPolarHBondContact O-CG1 3.38Å; E288-I292 PolarHBondContact O-N 3.23Å
289	D	56.8	Low	53.1	Low	96 Å²	96	95.5 Å²	95.5	51%	0.513	46%	0.463	S	S	.	.	H	α-helix	trans	-59.1	-39.7	176.4	-74	-25.8	0	0	0	112.1	S285 M293	S285-D289 WeakPolarHBondContact O-CB 3.38Å; S285-D289 VanDerWaalsContact O-CG 3.24Å; S285-D289 PolarHBondContact O-N 3.35Å; D289-M293 PolarHBondContact O-N 2.83Å
290	K	66.1	Low	53.7	Low	140 Å²	140	93.6 Å²	93.6	61%	0.609	46%	0.458	S	S	*	.	H	α-helix	trans	-65.7	-39.9	173.7	-77.1	-179.6	180	-176.6	0	111.8	Y286 Q287 E288 M293 I294	Y286-K290 WeakPolarHBondContact O-CG 3.39Å; Y286-K290 PolarHBondContact O-N 3.17Å; Q287-K290 WeakPolarHBondContact O-CB 3.49Å; Q287-K290 PolarHBondContact O-N 3.31Å; E288-K290 VanDerWaalsContact C-N 3.27Å; E288-K290 PolarHBondContact O-N 2.84Å; K290-M293 PolarHBondContact O-N 2.99Å; K290-I294 WeakPolarHBondContact O-CB 3.37Å; K290-I294 WeakPolarHBondContact O-CD1 3.19Å; K290-I294 WeakPolarHBondContact O-CG1 3.45Å; K290-I294 PolarHBondContact O-N 3.42Å
291	E	62	Low	54.4	Low	14 Å²	14	90.6 Å²	90.6	7%	0.065	44%	0.444	C	S	.	.	H	α-helix	trans	-64.2	-44.6	177.8	-154.8	95.6	-145.8	0	0	111.2	L44 F45 F183 R186 Q287 E288 M293 I294 S295	L44-E291 HydrophobicContact CD1-CG 3.94Å; L44-E291 WeakPolarHBondContact CD1-OE1 3.21Å; F45-E291 HydrophobicContact CZ-CG 4.01Å; F183-E291 WeakPolarHBondContact CE1-OE2 3.21Å; R186-E291 IonicContact CZ-OE1 3.98Å; R186-E291 IonicContact CZ-OE2 3.77Å; R186-E291 IonicContact NH1-OE1 2.66Å; R186-E291 PolarHBondContact NH1-OE1 2.83Å; R186-E291 IonicContact NH1-OE2 3.77Å; R186-E291 PolarHBondContact NH1-OE2 3.33Å; R186-E291 IonicContact NH2-OE1 3.12Å; R186-E291 PolarHBondContact NH2-OE1 3.45Å; R186-E291 IonicContact NH2-OE2 2.82Å; R186-E291 PolarHBondContact NH2-OE2 3.08Å; Q287-E291 PolarHBondContact O-N 3.36Å; E288-E291 WeakPolarHBondContact O-CA 3.29Å; E288-E291 WeakPolarHBondContact O-CB 3.46Å; E288-E291 PolarHBondContact O-N 3.1Å; E291-M293 VanDerWaalsContact C-N 3.35Å; E291-I294 PolarHBondContact O-N 3.05Å; E291-S295 WeakPolarHBondContact O-CB 3.34Å; E291-S295 PolarHBondContact O-N 3.2Å; E291-S295 PolarHBondContact O-OG 3.05Å
292	I	59.5	Low	55	Low	82 Å²	82	85.8 Å²	85.8	42%	0.421	43%	0.426	S	S	.	.	H	α-helix	trans	-62.6	-43	176.4	-65.6	166.7	0	0	0	110.1	E288 S295 N296	E288-I292 WeakPolarHBondContact O-CG1 3.38Å; E288-I292 PolarHBondContact O-N 3.23Å; I292-S295 WeakPolarHBondContact CA-OG 3.33Å; I292-S295 PolarHBondContact O-OG 3.2Å; I292-N296 VanDerWaalsContact O-CB 3.26Å; I292-N296 WeakPolarHBondContact O-CB 3.47Å; I292-N296 PolarHBondContact O-N 3.37Å; I292-N296 PolarHBondContact O-ND2 3.01Å; I292-N296 VanDerWaalsContact O-ND2 3.16Å
293	M	58.3	Low	54.8	Low	137 Å²	137	84.6 Å²	84.6	68%	0.675	42%	0.423	S	S	*	.	H	α-helix	trans	-61.2	-48.1	173.2	-85.8	-155.1	180	0	0	111.8	D289 K290 E291 S295 N296 M297	D289-M293 PolarHBondContact O-N 2.83Å; K290-M293 PolarHBondContact O-N 2.99Å; E291-M293 VanDerWaalsContact C-N 3.35Å; M293-S295 PolarHBondContact O-N 3.34Å; M293-N296 PolarHBondContact O-N 3.08Å; M293-M297 WeakPolarHBondContact O-CB 3.38Å; M293-M297 VanDerWaalsContact O-CG 3.24Å; M293-M297 WeakPolarHBondContact O-CG 3.3Å; M293-M297 PolarHBondContact O-N 3.42Å
294	I	63.8	Low	54.8	Low	24 Å²	24	83.6 Å²	83.6	12%	0.123	42%	0.417	C	S	.	.	H	α-helix	trans	-60.9	-44.5	179.8	-75.1	166	0	0	0	110.9	I149 K153 K290 E291 M297 E298	I149-I294 HydrophobicContact CG2-CB 4.39Å; I149-I294 HydrophobicContact CG2-CG1 4.3Å; I149-I294 HydrophobicContact CG2-CG2 3.49Å; I149-I294 VanDerWaalsContact CG2-CG2 3.49Å; K153-I294 HydrophobicContact CG-CD1 4.32Å; K290-I294 WeakPolarHBondContact O-CB 3.37Å; K290-I294 WeakPolarHBondContact O-CD1 3.19Å; K290-I294 WeakPolarHBondContact O-CG1 3.45Å; K290-I294 PolarHBondContact O-N 3.42Å; E291-I294 PolarHBondContact O-N 3.05Å; I294-M297 PolarHBondContact O-N 3.24Å; I294-E298 PolarHBondContact O-N 3.1Å
295	S	60.4	Low	54	Low	11 Å²	11	85.4 Å²	85.4	8%	0.077	43%	0.429	C	S	.	.	H	α-helix	trans	-67.3	-39.2	178.8	63.7	0	0	0	0	112.6	F45 E291 I292 M293 M297 E298 Q299	F45-S295 VanDerWaalsContact CE1-CB 3.43Å; F45-S295 WeakPolarHBondContact CE1-OG 3.25Å; F45-S295 WeakPolarHBondContact CZ-OG 3.41Å; E291-S295 WeakPolarHBondContact O-CB 3.34Å; E291-S295 PolarHBondContact O-N 3.2Å; E291-S295 PolarHBondContact O-OG 3.05Å; I292-S295 WeakPolarHBondContact CA-OG 3.33Å; I292-S295 PolarHBondContact O-OG 3.2Å; M293-S295 PolarHBondContact O-N 3.34Å; S295-M297 VanDerWaalsContact C-N 3.3Å; S295-E298 PolarHBondContact O-N 3.48Å; S295-Q299 WeakPolarHBondContact O-CB 3.48Å; S295-Q299 WeakPolarHBondContact O-CG 3.37Å; S295-Q299 PolarHBondContact O-N 3.43Å
296	N	57	Low	53	Low	77 Å²	77	85.6 Å²	85.6	41%	0.412	43%	0.428	S	S	.	.	H	α-helix	trans	-65.7	-37.5	175.7	-70.4	-16.7	0	0	0	110.7	I292 M293 Q299 N300	I292-N296 VanDerWaalsContact O-CB 3.26Å; I292-N296 WeakPolarHBondContact O-CB 3.47Å; I292-N296 PolarHBondContact O-N 3.37Å; I292-N296 PolarHBondContact O-ND2 3.01Å; I292-N296 VanDerWaalsContact O-ND2 3.16Å; M293-N296 PolarHBondContact O-N 3.08Å; N296-Q299 PolarHBondContact O-N 3.32Å; N296-N300 WeakPolarHBondContact O-CB 3.44Å; N296-N300 PolarHBondContact O-N 3.34Å
297	M	59.3	Low	51.9	Low	80 Å²	80	84.1 Å²	84.1	39%	0.394	42%	0.423	S	S	.	.	H	α-helix	trans	-65.3	-43.3	172.8	-71	176.7	76	0	0	111.7	M148 I149 M293 I294 S295 N300 E301	M148-M297 HydrophobicContact CE-CE 4.47Å; I149-M297 HydrophobicContact CD1-CB 3.74Å; I149-M297 HydrophobicContact CD1-CE 3.85Å; I149-M297 HydrophobicContact CD1-SD 4.32Å; I149-M297 HydrophobicContact CG1-CE 4.14Å; M293-M297 WeakPolarHBondContact O-CB 3.38Å; M293-M297 VanDerWaalsContact O-CG 3.24Å; M293-M297 WeakPolarHBondContact O-CG 3.3Å; M293-M297 PolarHBondContact O-N 3.42Å; I294-M297 PolarHBondContact O-N 3.24Å; S295-M297 VanDerWaalsContact C-N 3.3Å; M297-N300 PolarHBondContact O-N 3.49Å; M297-E301 PolarHBondContact O-N 3.43Å
298	E	61.2	Low	50.8	Low	19 Å²	19	84.4 Å²	84.4	9%	0.089	44%	0.44	C	S	.	.	H	α-helix	trans	-62	-42.2	174.9	-78.5	-172	-148.5	0	0	112.4	H41 K69 K153 I294 S295 E301 T302	H41-E298 IonicContact NE2-OE2 2.67Å; K69-E298 IonicContact NZ-OE2 3.51Å; K69-E298 PolarHBondContact NZ-OE2 3.18Å; K69-E298 VanDerWaalsContact NZ-OE2 3.12Å; K153-E298 WeakPolarHBondContact CE-OE1 3.09Å; K153-E298 IonicContact NZ-OE1 3.12Å; K153-E298 PolarHBondContact NZ-OE1 2.83Å; I294-E298 PolarHBondContact O-N 3.1Å; S295-E298 PolarHBondContact O-N 3.48Å; E298-E301 PolarHBondContact O-N 3.28Å; E298-T302 PolarHBondContact O-N 2.83Å; E298-T302 VanDerWaalsContact O-N 3.12Å; E298-T302 PolarHBondContact O-OG1 3.09Å
299	Q	57.8	Low	49.8	Very low	110 Å²	110	87.1 Å²	87.1	51%	0.514	46%	0.462	S	S	.	.	H	α-helix	trans	-64.7	-41.5	177.1	-75.9	-179.8	5.9	0	0	111.4	S295 N296 T302 M303	S295-Q299 WeakPolarHBondContact O-CB 3.48Å; S295-Q299 WeakPolarHBondContact O-CG 3.37Å; S295-Q299 PolarHBondContact O-N 3.43Å; N296-Q299 PolarHBondContact O-N 3.32Å; Q299-T302 VanDerWaalsContact CA-OG1 3.3Å; Q299-T302 WeakPolarHBondContact CA-OG1 3.25Å; Q299-T302 PolarHBondContact O-N 3.22Å; Q299-T302 PolarHBondContact O-OG1 3.27Å; Q299-M303 VanDerWaalsContact O-CG 3.27Å; Q299-M303 WeakPolarHBondContact O-CG 3.26Å; Q299-M303 PolarHBondContact O-N 3.5Å
300	N	51.3	Low	48.6	Very low	107 Å²	107	88.1 Å²	88.1	57%	0.572	47%	0.474	S	S	*	.	H	α-helix	trans	-66.3	-35.7	176.8	-79	-14.7	0	0	0	112.7	N296 M297 T302 M303 L304	N296-N300 WeakPolarHBondContact O-CB 3.44Å; N296-N300 PolarHBondContact O-N 3.34Å; M297-N300 PolarHBondContact O-N 3.49Å; N300-T302 VanDerWaalsContact C-N 3.35Å; N300-M303 PolarHBondContact O-N 2.69Å; N300-L304 PolarHBondContact O-N 3.25Å
301	E	51	Low	47.1	Very low	55 Å²	55	86.5 Å²	86.5	26%	0.257	48%	0.48	S	S	.	.	H	α-helix	trans	-63.7	-39.3	171	-79	-161.2	146.5	0	0	112	S143 S145 M297 E298 M303 L304	S143-E301 PolarHBondContact OG-OE1 3.16Å; S145-E301 VanDerWaalsContact CB-OE1 3.27Å; S145-E301 WeakPolarHBondContact CB-OE1 3.45Å; S145-E301 PolarHBondContact OG-OE1 2.69Å; M297-E301 PolarHBondContact O-N 3.43Å; E298-E301 PolarHBondContact O-N 3.28Å; E301-M303 VanDerWaalsContact C-N 3.33Å; E301-M303 PolarHBondContact O-N 2.82Å; E301-L304 PolarHBondContact O-N 3.31Å
302	T	47.5	Very low	45.7	Very low	57 Å²	57	94.2 Å²	94.2	35%	0.35	52%	0.516	S	S	.	.	H	α-helix	trans	-69.5	-27.4	174.4	42.5	0	0	0	0	113.6	E298 Q299 N300 S305	E298-T302 PolarHBondContact O-N 2.83Å; E298-T302 VanDerWaalsContact O-N 3.12Å; E298-T302 PolarHBondContact O-OG1 3.09Å; Q299-T302 VanDerWaalsContact CA-OG1 3.3Å; Q299-T302 WeakPolarHBondContact CA-OG1 3.25Å; Q299-T302 PolarHBondContact O-N 3.22Å; Q299-T302 PolarHBondContact O-OG1 3.27Å; N300-T302 VanDerWaalsContact C-N 3.35Å; T302-S305 WeakPolarHBondContact O-CB 3.36Å; T302-S305 PolarHBondContact O-N 3.2Å
303	M	36.5	Very low	44.5	Very low	146 Å²	146	99.5 Å²	99.5	72%	0.719	54%	0.538	S	S	*	.	H	α-helix	trans	-80.3	-15.6	177.9	-70.7	-74	128	0	0	113.7	Q299 N300 E301	Q299-M303 VanDerWaalsContact O-CG 3.27Å; Q299-M303 WeakPolarHBondContact O-CG 3.26Å; Q299-M303 PolarHBondContact O-N 3.5Å; N300-M303 PolarHBondContact O-N 2.69Å; E301-M303 VanDerWaalsContact C-N 3.33Å; E301-M303 PolarHBondContact O-N 2.82Å
304	L	34.5	Very low	43.1	Very low	151 Å²	151	96.7 Å²	96.7	79%	0.791	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-2.2	171.1	-80.2	156	0	0	0	112.7	N300 E301 P306	N300-L304 PolarHBondContact O-N 3.25Å; E301-L304 PolarHBondContact O-N 3.31Å; L304-P306 WeakPolarHBondContact O-CD 3.15Å
305	S	32.7	Very low	41.7	Very low	57 Å²	57	103 Å²	103	40%	0.399	56%	0.561	S	S	.	*	S	Bend	trans	-74.5	115.5	159.1	-171	0	0	0	0	108	T302	T302-S305 WeakPolarHBondContact O-CB 3.36Å; T302-S305 PolarHBondContact O-N 3.2Å
306	P	28.9	Very low	40.5	Very low	75 Å²	75	109.9 Å²	109.9	49%	0.487	59%	0.591	S	S	.	*			trans	-66.7	152.2	-177.7	28.8	-31.8	0	0	0	109.4	L304	L304-P306 WeakPolarHBondContact O-CD 3.15Å
307	Y	31.6	Very low	39.2	Very low	162 Å²	162	113 Å²	113	64%	0.635	60%	0.603	S	S	*	*			trans	95.9	87.3	162.5	-40	-65.7	0	0	0	117.3	T10	T10-Y307 HydrophobicContact CG2-CD1 3.63Å; T10-Y307 HydrophobicContact CG2-CD2 3.05Å; T10-Y307 HydrophobicContact CG2-CE1 4.09Å; T10-Y307 HydrophobicContact CG2-CE2 3.56Å; T10-Y307 HydrophobicContact CG2-CG 3.09Å
308	A	31.4	Very low	38	Very low	92 Å²	92	118.2 Å²	118.2	76%	0.76	63%	0.626	S	S	*	*			trans	-123.4	119.6	152.9	0	0	0	0	0	108.3
309	T	38.1	Very low	36.6	Very low	138 Å²	138	125.4 Å²	125.4	85%	0.847	66%	0.659	S	S	*	*			trans	177.6	150.6	138.9	43.1	0	0	0	0	111.7
310	P	31.3	Very low	35.4	Very low	117 Å²	117	130.4 Å²	130.4	76%	0.76	68%	0.675	S	S	*	*			trans	-105.1	151.9	-160.6	37.6	-28.8	0	0	0	114.3
311	S	34.9	Very low	34.4	Very low	105 Å²	105	133.4 Å²	133.4	73%	0.734	69%	0.685	S	S	*	*			trans	-151.4	134.8	159.3	62.2	0	0	0	0	113.3
312	H	33.3	Very low	33.6	Very low	176 Å²	176	136.7 Å²	136.7	82%	0.815	71%	0.705	S	S	*	*			trans	-51.4	142.4	179.9	-62.8	-82.5	0	0	0	115.4
313	H	34.2	Very low	32.7	Very low	194 Å²	194	138.2 Å²	138.2	90%	0.898	72%	0.717	S	S	*	*				-172.5	147.1	128	-90.2	-44.7	0	0	0	112.4
314	S	29.6	Very low	32.5	Very low	77 Å²	77	141.2 Å²	141.2	54%	0.538	72%	0.722	S	S	.	*			trans	-76.6	144.9	-176.7	53.7	0	0	0	0	113.3
315	H	33.1	Very low	32.3	Very low	157 Å²	157	141.8 Å²	141.8	73%	0.727	72%	0.721	S	S	*	*				167.9	133.9	116.9	-82.5	-31.4	0	0	0	115.1
316	H	34.7	Very low	32.2	Very low	155 Å²	155	146.3 Å²	146.3	72%	0.718	74%	0.741	S	S	*	*			trans	75.6	89.6	141.1	-75.7	64	0	0	0	121.3
317	H	30.5	Very low	32.3	Very low	142 Å²	142	151.8 Å²	151.8	66%	0.657	76%	0.759	S	S	*	*				42.5	115.2	126.5	-73	-39.3	0	0	0	121.3
318	H	34.4	Very low	32.1	Very low	190 Å²	190	153.7 Å²	153.7	88%	0.88	77%	0.771	S	S	*	*				-146.2	118.3	126.4	-89.2	-54.3	0	0	0	110.7
319	H	31.2	Very low	32.1	Very low	171 Å²	171	157.7 Å²	157.7	79%	0.792	77%	0.774	S	S	*	*			trans	-75.9	124.8	174.6	-82.5	-48.7	0	0	0	110.9
320	Y	32	Very low	31.7	Very low	214 Å²	214	157.4 Å²	157.4	84%	0.839	77%	0.766	S	S	*	*			trans	-107.4	110.7	158.6	-90.1	-86.1	0	0	0	109
321	H	31	Very low	31.6	Very low	170 Å²	170	160.8 Å²	160.8	79%	0.787	77%	0.774	S	S	*	*			trans	-99.4	106.3	175.9	-158.8	-51.7	0	0	0	106.7
322	N	34.2	Very low	31.3	Very low	125 Å²	125	161.9 Å²	161.9	67%	0.668	78%	0.776	S	S	*	*			trans	-109.2	104.8	170	-91.3	-12.5	0	0	0	109.4
323	S	28.9	Very low	31.4	Very low	88 Å²	88	158.7 Å²	158.7	62%	0.615	77%	0.773	S	S	*	*			trans	-74.3	117.6	166.1	53.9	0	0	0	0	109.5
324	Y	33	Very low	31.2	Very low	210 Å²	210	157 Å²	157	82%	0.824	77%	0.771	S	S	*	*			trans	-96.3	104.1	158	-87	-83.5	0	0	0	107.8
325	Q	30.3	Very low	31.5	Very low	163 Å²	163	162.6 Å²	162.6	76%	0.762	79%	0.791	S	S	*	*			trans	-83	142.2	169.6	-94.3	171.3	-40.9	0	0	110.2
326	D	28.8	Very low	31.6	Very low	151 Å²	151	163.4 Å²	163.4	81%	0.807	80%	0.795	S	S	*	*			trans	-48.4	131.4	174.5	-73.2	-58.4	0	0	0	114
327	H	32.5	Very low	31.4	Very low	190 Å²	190	163.4 Å²	163.4	88%	0.88	80%	0.801	S	S	*	*			trans	-130	97.1	155.1	-64.7	-53	0	0	0	108.8
328	K	27.8	Very low	31.6	Very low	203 Å²	203	162 Å²	162	88%	0.883	81%	0.806	S	S	*	*			trans	-130.3	85.6	172.9	-151.1	-178.6	-168.8	-178.6	0	107.5
329	E	31.4	Very low	31.5	Very low	175 Å²	175	159.3 Å²	159.3	82%	0.818	80%	0.803	S	S	*	*			trans	-135.3	110.1	166.6	-79.7	-170.4	149.4	0	0	108.8
330	I	29.1	Very low	31.6	Very low	132 Å²	132	157.3 Å²	157.3	68%	0.677	80%	0.803	S	S	*	*				73.5	108.2	102.2	-61.1	163	0	0	0	113
331	M	29.6	Very low	31.5	Very low	189 Å²	189	156.2 Å²	156.2	93%	0.931	81%	0.806	S	S	*	*			trans	-141.1	92	135	-82	-147.6	167	0	0	109.3
332	T	26.8	Very low	31.5	Very low	127 Å²	127	151.3 Å²	151.3	78%	0.779	80%	0.801	S	S	*	*			trans	-97.1	118.7	152.9	44.3	0	0	0	0	106.8
333	S	35.5	Very low	31.5	Very low	109 Å²	109	154.6 Å²	154.6	76%	0.762	81%	0.813	S	S	*	*			trans	-141.4	122.8	163	60	0	0	0	0	109.8
334	N	30.5	Very low	32	Very low	160 Å²	160	158 Å²	158	86%	0.856	82%	0.824	S	S	*	*			trans	-55.7	144.2	179.3	-53	-34.5	0	0	0	112.5
335	M	35.5	Very low	32.5	Very low	194 Å²	194	156.5 Å²	156.5	96%	0.956	82%	0.824	S	S	*	*			trans	-152.1	136.1	140.7	-140.5	158.1	170.3	0	0	110.8
336	E	34.9	Very low	33.7	Very low	173 Å²	173	154.7 Å²	154.7	81%	0.808	82%	0.816	S	S	*	*			trans	-78.5	152.9	-163	-64.3	160.4	150	0	0	113.8
337	D	31.9	Very low	35.3	Very low	156 Å²	156	154.5 Å²	154.5	83%	0.834	81%	0.808	S	S	*	*			trans	27.7	108.3	145.4	-65.4	-17.7	0	0	0	119.3
338	S	34.6	Very low	37.4	Very low	111 Å²	111	151.6 Å²	151.6	78%	0.776	80%	0.795	S	S	*	*			trans	-155.2	115.6	131.2	38.7	0	0	0	0	110.6	T340	S338-T340 PolarHBondContact O-N 2.93Å
339	V	31	Very low	40.3	Very low	134 Å²	134	142.4 Å²	142.4	81%	0.812	76%	0.755	S	S	*	*			trans	-73	114.9	173.4	175.8	0	0	0	0	108.3
340	T	34.3	Very low	43.2	Very low	129 Å²	129	140.9 Å²	140.9	79%	0.791	74%	0.743	S	S	*	*			trans	-138.2	113.7	158.9	41.6	0	0	0	0	109.4	S338	S338-T340 PolarHBondContact O-N 2.93Å
341	E	30.1	Very low	46.5	Very low	192 Å²	192	134.9 Å²	134.9	90%	0.897	71%	0.712	S	S	*	*			trans	-64.9	123.6	170.3	-60.4	178.5	156.5	0	0	109.8
342	G	29.9	Very low	49.7	Very low	67 Å²	67	126.1 Å²	126.1	69%	0.691	67%	0.669	S	S	*	*			trans	145.2	125.8	166.3	0	0	0	0	0	114.5
343	E	35.7	Very low	53.1	Low	194 Å²	194	120.3 Å²	120.3	91%	0.907	63%	0.633	S	S	*	*	S	Bend	trans	84.3	121.4	173.5	-53.4	-176.9	177.6	0	0	115.4	E345	E343-E345 PolarHBondContact O-N 3.39Å
344	D	39.7	Very low	56.1	Low	160 Å²	160	117.5 Å²	117.5	86%	0.856	61%	0.607	S	S	*	*			trans	-48.2	103.3	177.6	-70.1	-52.7	0	0	0	110.8	E346	D344-E346 VanDerWaalsContact C-N 3.29Å; D344-E346 PolarHBondContact O-N 2.72Å
345	E	42.2	Very low	59.4	Low	177 Å²	177	109.9 Å²	109.9	83%	0.827	57%	0.566	S	S	*	*			trans	-61.2	95.6	166.1	-79.3	-170.5	157.4	0	0	107.8	E343 K347	E343-E345 PolarHBondContact O-N 3.39Å; E345-K347 PolarHBondContact O-N 2.84Å
346	E	56	Low	62.3	Low	126 Å²	126	102.2 Å²	102.2	59%	0.589	53%	0.528	S	S	*	.			trans	-60.5	85.2	173.7	-81.9	-166	152	0	0	108.6	K214 D344 E348	K214-E346 IonicContact NZ-OE1 2.7Å; K214-E346 IonicContact NZ-OE2 3.44Å; D344-E346 VanDerWaalsContact C-N 3.29Å; D344-E346 PolarHBondContact O-N 2.72Å; E346-E348 PolarHBondContact O-N 2.77Å; E346-E348 VanDerWaalsContact O-N 3.1Å
347	K	62.2	Low	65.2	Low	147 Å²	147	95 Å²	95	64%	0.639	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-53.1	120.2	170.6	-72.4	-177.7	178.8	176.9	0	108.3	E345 E349	E345-K347 PolarHBondContact O-N 2.84Å; K347-E349 PolarHBondContact O-N 3.45Å
348	E	76.1	Confident	68.2	Low	128 Å²	128	87.6 Å²	87.6	60%	0.598	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-62.3	118.3	-175.6	-158.3	175.3	-171	0	0	109.4	Q215 K218 E346	Q215-E348 PolarHBondContact NE2-OE1 3.29Å; Q215-E348 PolarHBondContact OE1-OE1 3.11Å; K218-E348 IonicContact NZ-OE1 3.46Å; K218-E348 PolarHBondContact NZ-OE1 2.78Å; E346-E348 PolarHBondContact O-N 2.77Å; E346-E348 VanDerWaalsContact O-N 3.1Å
349	E	89.1	Confident	71	Confident	11 Å²	11	82.9 Å²	82.9	5%	0.051	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-66.8	137.4	175.9	-56.3	-83.5	169.1	0	0	109.6	R208 R211 L212 Q215 F248 K347	R208-E349 WeakPolarHBondContact CG-OE1 3.41Å; R208-E349 IonicContact CZ-OE2 2.87Å; R208-E349 IonicContact NE-OE1 2.7Å; R208-E349 IonicContact NE-OE2 3.4Å; R208-E349 PolarHBondContact NE-OE2 2.91Å; R208-E349 IonicContact NH2-OE2 3Å; R208-E349 PolarHBondContact NH2-OE2 2.7Å; R211-E349 HydrophobicContact CB-CG 3.67Å; R211-E349 IonicContact CZ-OE1 2.66Å; R211-E349 IonicContact NE-OE1 2.73Å; R211-E349 PolarHBondContact NE-OE1 3.34Å; R211-E349 IonicContact NH2-OE1 3.48Å; R211-E349 PolarHBondContact NH2-OE1 3.34Å; L212-E349 HydrophobicContact CD2-CB 3.77Å; L212-E349 HydrophobicContact CD2-CG 4.08Å; L212-E349 HydrophobicContact CG-CB 4.4Å; L212-E349 HydrophobicContact CG-CG 4.22Å; Q215-E349 HydrophobicContact CG-CB 4.39Å; Q215-E349 WeakPolarHBondContact CG-O 3.47Å; F248-E349 WeakPolarHBondContact CE1-OE2 3.49Å; F248-E349 WeakPolarHBondContact CZ-OE1 3.31Å; K347-E349 PolarHBondContact O-N 3.45Å
350	Y	93.2	Very high	73.9	Confident	143 Å²	143	79.4 Å²	79.4	56%	0.561	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-91.4	127.9	173.8	-178.1	-99	0	0	0	110.8	F123 L352	F123-Y350 AromaticContact CE1-CD1 3.78Å; F123-Y350 HydrophobicContact CE1-CD1 3.78Å; F123-Y350 AromaticContact CE1-CE1 3.77Å; F123-Y350 HydrophobicContact CE1-CE1 3.77Å; F123-Y350 AromaticContact CZ-CD1 3.74Å; F123-Y350 HydrophobicContact CZ-CD1 3.74Å; F123-Y350 AromaticContact CZ-CE1 3.78Å; F123-Y350 HydrophobicContact CZ-CE1 3.78Å; Y350-L352 HydrophobicContact CE1-CD2 3.65Å; Y350-L352 HydrophobicContact CE1-CG 3.8Å; Y350-L352 WeakPolarHBondContact OH-CD2 3.34Å
351	V	97.3	Very high	76.8	Confident	5 Å²	5	74.2 Å²	74.2	3%	0.03	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	148.6	176.5	-53.8	0	0	0	0	111.2	L212 Q215 F216 K219 A243	L212-V351 HydrophobicContact CD2-CG1 3.76Å; Q215-V351 HydrophobicContact CB-CB 4.47Å; Q215-V351 HydrophobicContact CB-CG1 3.87Å; Q215-V351 HydrophobicContact CB-CG2 3.72Å; F216-V351 HydrophobicContact CD1-CB 4.04Å; F216-V351 HydrophobicContact CD1-CG1 4.49Å; F216-V351 HydrophobicContact CD1-CG2 3.98Å; F216-V351 HydrophobicContact CD2-CB 4.47Å; F216-V351 HydrophobicContact CD2-CG1 4.05Å; F216-V351 HydrophobicContact CE1-CB 3.67Å; F216-V351 HydrophobicContact CE1-CG1 4.2Å; F216-V351 HydrophobicContact CE1-CG2 4.1Å; F216-V351 HydrophobicContact CE2-CB 4.13Å; F216-V351 HydrophobicContact CE2-CG1 3.72Å; F216-V351 HydrophobicContact CG-CB 4.41Å; F216-V351 HydrophobicContact CG-CG1 4.42Å; F216-V351 HydrophobicContact CG-CG2 4.31Å; F216-V351 HydrophobicContact CZ-CB 3.71Å; F216-V351 HydrophobicContact CZ-CG1 3.8Å; K219-V351 HydrophobicContact CG-CG2 4.07Å; A243-V351 CarbonylContact O-C 3.59Å; A243-V351 WeakPolarHBondContact O-CA 3.37Å
352	L	97.4	Very high	79.8	Confident	6 Å²	6	67.1 Å²	67.1	3%	0.031	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	137.5	174.5	-65.9	169.6	0	0	0	109.9	L119 L120 F123 F216 L242 A243 Y350 Y354	L119-L352 HydrophobicContact CB-CD1 4.27Å; L119-L352 WeakPolarHBondContact O-CD1 3.33Å; L120-L352 HydrophobicContact CD2-CD1 3.71Å; F123-L352 HydrophobicContact CE1-CD1 4.19Å; F123-L352 HydrophobicContact CE2-CD1 3.69Å; F123-L352 HydrophobicContact CE2-CG 4.36Å; F123-L352 HydrophobicContact CZ-CD1 3.46Å; F123-L352 VanDerWaalsContact CZ-CD1 3.46Å; F123-L352 HydrophobicContact CZ-CG 3.85Å; F216-L352 WeakPolarHBondContact CE1-O 3.46Å; L242-L352 WeakPolarHBondContact CA-O 3.15Å; A243-L352 HydrophobicContact CB-CB 4.09Å; A243-L352 HydrophobicContact CB-CD1 4.12Å; A243-L352 PolarHBondContact N-O 3.22Å; A243-L352 VanDerWaalsContact N-O 3.09Å; A243-L352 PolarHBondContact O-N 3Å; Y350-L352 HydrophobicContact CE1-CD2 3.65Å; Y350-L352 HydrophobicContact CE1-CG 3.8Å; Y350-L352 WeakPolarHBondContact OH-CD2 3.34Å; L352-Y354 HydrophobicContact CB-CD2 4.17Å; L352-Y354 HydrophobicContact CB-CE2 4.38Å; L352-Y354 HydrophobicContact CD2-CD2 4.22Å; L352-Y354 HydrophobicContact CD2-CE2 3.61Å
353	V	98.6	Very high	82.7	Confident	5 Å²	5	67.4 Å²	67.4	3%	0.03	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	108.3	171.2	178.5	0	0	0	0	107.1	F216 K219 L220 L223 L240 L242	F216-V353 HydrophobicContact CD1-CG2 3.78Å; F216-V353 HydrophobicContact CE1-CG2 4.16Å; K219-V353 HydrophobicContact CB-CB 4.02Å; K219-V353 HydrophobicContact CB-CG2 3.52Å; K219-V353 HydrophobicContact CG-CG2 4.34Å; L220-V353 HydrophobicContact CD2-CG1 3.62Å; L220-V353 HydrophobicContact CD2-CG2 4.41Å; L220-V353 HydrophobicContact CG-CG1 4.31Å; L220-V353 HydrophobicContact CG-CG2 4.34Å; L223-V353 HydrophobicContact CD2-CG1 4.38Å; L240-V353 HydrophobicContact CD2-CG1 4.48Å; L242-V353 HydrophobicContact CD2-CB 4.3Å; L242-V353 HydrophobicContact CD2-CG1 4.01Å; L242-V353 HydrophobicContact CD2-CG2 3.91Å
354	Y	98.6	Very high	85.1	Confident	50 Å²	50	59.5 Å²	59.5	20%	0.196	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	135.1	-175.9	-82.3	-101.2	0	0	0	111.7	F96 P98 L119 L240 L241 L352	F96-Y354 VanDerWaalsContact C-CD1 3.44Å; F96-Y354 CarbonylContact O-C 3.43Å; F96-Y354 VanDerWaalsContact O-CA 3.29Å; F96-Y354 WeakPolarHBondContact O-CA 3.37Å; P98-Y354 HydrophobicContact CG-CD1 4.43Å; L119-Y354 HydrophobicContact CD1-CD1 3.73Å; L119-Y354 HydrophobicContact CD1-CD2 3.76Å; L119-Y354 HydrophobicContact CD1-CE1 4.37Å; L119-Y354 HydrophobicContact CD1-CE2 4.41Å; L119-Y354 HydrophobicContact CD1-CG 3.38Å; L119-Y354 HydrophobicContact CD2-CD1 3.65Å; L119-Y354 HydrophobicContact CD2-CD2 4.13Å; L119-Y354 HydrophobicContact CD2-CE1 3.43Å; L119-Y354 VanDerWaalsContact CD2-CE1 3.43Å; L119-Y354 HydrophobicContact CD2-CE2 3.97Å; L119-Y354 HydrophobicContact CD2-CG 3.99Å; L119-Y354 HydrophobicContact CG-CD1 4.34Å; L119-Y354 HydrophobicContact CG-CG 4.33Å; L240-Y354 CarbonylContact C-O 3.58Å; L240-Y354 WeakPolarHBondContact CA-O 3.38Å; L241-Y354 PolarHBondContact N-O 3.44Å; L241-Y354 PolarHBondContact O-N 3.19Å; L352-Y354 HydrophobicContact CB-CD2 4.17Å; L352-Y354 HydrophobicContact CB-CE2 4.38Å; L352-Y354 HydrophobicContact CD2-CD2 4.22Å; L352-Y354 HydrophobicContact CD2-CE2 3.61Å
355	L	98.2	Very high	87	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	133.3	165.4	-73.2	166.3	0	0	0	109.9	L93 F96 V97 P98 L223 F227 S239 L240 F358 F375	L93-L355 HydrophobicContact CD1-CD1 3.6Å; F96-L355 PolarHBondContact O-N 3.5Å; V97-L355 HydrophobicContact CG2-CB 4.27Å; P98-L355 WeakPolarHBondContact CD-O 3.5Å; L223-L355 HydrophobicContact CD1-CD1 3.85Å; L223-L355 HydrophobicContact CD1-CG 4.41Å; L223-L355 HydrophobicContact CD2-CD1 4.43Å; L223-L355 HydrophobicContact CD2-CD2 4.41Å; L223-L355 HydrophobicContact CD2-CG 4.14Å; F227-L355 HydrophobicContact CE2-CD1 4.1Å; F227-L355 HydrophobicContact CE2-CD2 4.35Å; F227-L355 HydrophobicContact CZ-CD1 4.34Å; F227-L355 HydrophobicContact CZ-CD2 4.35Å; S239-L355 WeakPolarHBondContact O-CA 3.27Å; L240-L355 HydrophobicContact CD2-CD2 3.48Å; L240-L355 VanDerWaalsContact CD2-CD2 3.48Å; L240-L355 HydrophobicContact CD2-CG 3.85Å; L240-L355 HydrophobicContact CG-CD2 4.35Å; L355-F358 HydrophobicContact CB-CE1 3.87Å; L355-F358 HydrophobicContact CB-CZ 3.7Å; L355-F358 WeakPolarHBondContact O-CZ 3.18Å; L355-F375 HydrophobicContact CD2-CE1 4.11Å; L355-F375 HydrophobicContact CD2-CE2 3.83Å; L355-F375 HydrophobicContact CD2-CZ 3.27Å
356	I	97.4	Very high	88.4	Confident	33 Å²	33	54.8 Å²	54.8	17%	0.169	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	170.7	178.6	63.3	167.4	0	0	0	110.8	P98 S238 S239 L241	P98-I356 HydrophobicContact CG-CG2 3.99Å; S238-I356 WeakPolarHBondContact CB-O 3.38Å; S239-I356 PolarHBondContact N-O 2.7Å; S239-I356 PolarHBondContact O-N 2.86Å; L241-I356 HydrophobicContact CB-CD1 4Å; L241-I356 HydrophobicContact CB-CG1 4.46Å
357	D	95.2	Very high	88.8	Confident	21 Å²	21	53.3 Å²	53.3	11%	0.112	27%	0.266	C	S	.	.			trans	64.6	61.7	174.1	-155.8	32.3	0	0	0	113.8	K62 E73 K132 S238 T359	K62-D357 IonicContact NZ-OD1 3.18Å; K62-D357 PolarHBondContact NZ-OD1 2.97Å; E73-D357 WeakPolarHBondContact OE1-CA 3.26Å; K132-D357 IonicContact NZ-OD2 3.48Å; S238-D357 WeakPolarHBondContact CA-O 3.27Å; S238-D357 PolarHBondContact OG-O 2.82Å; D357-T359 PolarHBondContact O-N 3.33Å; D357-T359 VanDerWaalsContact OD1-CG2 3.29Å; D357-T359 WeakPolarHBondContact OD1-CG2 3.4Å
358	F	95.8	Very high	89	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.272	C	S	.	.			trans	-82.5	39.9	-177.1	-51.8	-75.1	0	0	0	113.2	E73 F76 Y77 V97 F235 L355 R360	E73-F358 VanDerWaalsContact CA-O 3.3Å; E73-F358 WeakPolarHBondContact CA-O 3.45Å; E73-F358 HydrophobicContact CG-CB 4.21Å; E73-F358 PolarHBondContact OE1-N 3.37Å; F76-F358 HydrophobicContact CB-CB 4.03Å; F76-F358 HydrophobicContact CD1-CB 3.58Å; F76-F358 AromaticContact CD1-CD1 3.66Å; F76-F358 HydrophobicContact CD1-CD1 3.66Å; F76-F358 AromaticContact CD1-CD2 3.46Å; F76-F358 HydrophobicContact CD1-CD2 3.46Å; F76-F358 VanDerWaalsContact CD1-CD2 3.46Å; F76-F358 HydrophobicContact CD1-CE1 4.18Å; F76-F358 HydrophobicContact CD1-CE2 4.02Å; F76-F358 AromaticContact CD1-CG 3.25Å; F76-F358 HydrophobicContact CD1-CG 3.25Å; F76-F358 HydrophobicContact CD1-CZ 4.34Å; F76-F358 HydrophobicContact CE1-CB 4.25Å; F76-F358 AromaticContact CE1-CD1 3.41Å; F76-F358 HydrophobicContact CE1-CD1 3.41Å; F76-F358 VanDerWaalsContact CE1-CD1 3.41Å; F76-F358 AromaticContact CE1-CD2 3.69Å; F76-F358 HydrophobicContact CE1-CD2 3.69Å; F76-F358 AromaticContact CE1-CE1 3.51Å; F76-F358 HydrophobicContact CE1-CE1 3.51Å; F76-F358 AromaticContact CE1-CE2 3.8Å; F76-F358 HydrophobicContact CE1-CE2 3.8Å; F76-F358 AromaticContact CE1-CG 3.49Å; F76-F358 HydrophobicContact CE1-CG 3.49Å; F76-F358 VanDerWaalsContact CE1-CG 3.49Å; F76-F358 AromaticContact CE1-CZ 3.7Å; F76-F358 HydrophobicContact CE1-CZ 3.7Å; F76-F358 HydrophobicContact CG-CB 3.89Å; F76-F358 HydrophobicContact CG-CD1 4.41Å; F76-F358 HydrophobicContact CG-CG 4.04Å; F76-F358 HydrophobicContact CZ-CD1 4Å; F76-F358 HydrophobicContact CZ-CE1 4.06Å; F76-F358 HydrophobicContact CZ-CG 4.44Å; Y77-F358 HydrophobicContact CD2-CD2 4.42Å; Y77-F358 HydrophobicContact CE1-CD2 4.5Å; Y77-F358 HydrophobicContact CE1-CE2 4.26Å; Y77-F358 AromaticContact CE2-CD2 3.71Å; Y77-F358 HydrophobicContact CE2-CD2 3.71Å; Y77-F358 HydrophobicContact CE2-CE2 4.19Å; Y77-F358 AromaticContact CZ-CD2 3.76Å; Y77-F358 AromaticContact CZ-CE2 3.74Å; V97-F358 HydrophobicContact CB-CZ 4.42Å; V97-F358 HydrophobicContact CG1-CE2 3.6Å; V97-F358 HydrophobicContact CG1-CZ 3.78Å; V97-F358 HydrophobicContact CG2-CE2 4.46Å; V97-F358 HydrophobicContact CG2-CZ 3.79Å; F235-F358 AromaticContact CD1-CD1 3.86Å; F235-F358 HydrophobicContact CD1-CD1 3.86Å; F235-F358 HydrophobicContact CD1-CE1 4.31Å; F235-F358 AromaticContact CE1-CD1 3.73Å; F235-F358 HydrophobicContact CE1-CD1 3.73Å; F235-F358 HydrophobicContact CE1-CE1 4.03Å; L355-F358 HydrophobicContact CB-CE1 3.87Å; L355-F358 HydrophobicContact CB-CZ 3.7Å; L355-F358 WeakPolarHBondContact O-CZ 3.18Å; F358-R360 PolarHBondContact O-N 3.1Å
359	T	92.3	Very high	88.5	Confident	13 Å²	13	51.1 Å²	51.1	8%	0.08	26%	0.263	C	S	.	.	S	Bend	trans	-71.4	-18.6	-175.6	58.2	0	0	0	0	113.7	K69 D357	K69-T359 HydrophobicContact CB-CG2 4.08Å; D357-T359 PolarHBondContact O-N 3.33Å; D357-T359 VanDerWaalsContact OD1-CG2 3.29Å; D357-T359 WeakPolarHBondContact OD1-CG2 3.4Å
360	R	93.5	Very high	88.1	Confident	61 Å²	61	54.1 Å²	54.1	23%	0.23	28%	0.278	C	S	.	.	S	Bend	trans	-144.2	111.4	171.7	-176.1	59.5	174.4	172.1	-5.9	110.9	A139 D141 Y236 F358	A139-R360 HydrophobicContact CB-CG 4.14Å; A139-R360 VanDerWaalsContact CB-NE 3.31Å; D141-R360 IonicContact OD1-CZ 3.92Å; D141-R360 IonicContact OD1-NH2 2.72Å; D141-R360 PolarHBondContact OD1-NH2 2.83Å; D141-R360 IonicContact OD2-CZ 2.92Å; D141-R360 IonicContact OD2-NH2 2.8Å; D141-R360 PolarHBondContact OD2-NH2 2.85Å; Y236-R360 HydrophobicContact CD2-CG 4.07Å; Y236-R360 HydrophobicContact CG-CG 4.31Å; Y236-R360 PolarHBondContact N-O 3.35Å; F358-R360 PolarHBondContact O-N 3.1Å
361	W	94.7	Very high	88	Confident	19 Å²	19	50.9 Å²	50.9	7%	0.072	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	161	171.5	63.6	-80	0	0	0	108.8	H72 E75 F76 Y233 H234 F235 L363	H72-W361 PolarHBondContact O-NE1 3.3Å; E75-W361 HydrophobicContact CB-CZ2 4.26Å; E75-W361 HydrophobicContact CG-CZ2 3.93Å; F76-W361 HydrophobicContact CB-CD2 4.42Å; F76-W361 HydrophobicContact CB-CG 4.44Å; F76-W361 HydrophobicContact CB-CZ2 4.28Å; F76-W361 AromaticContact CD2-CD2 3.79Å; F76-W361 HydrophobicContact CD2-CD2 3.79Å; F76-W361 AromaticContact CD2-CE2 3.96Å; F76-W361 HydrophobicContact CD2-CE3 4.17Å; F76-W361 AromaticContact CD2-CG 3.97Å; F76-W361 HydrophobicContact CD2-CG 3.97Å; F76-W361 HydrophobicContact CD2-CZ2 4.47Å; F76-W361 HydrophobicContact CG-CG 4.47Å; Y233-W361 HydrophobicContact CD1-CE3 4.15Å; Y233-W361 HydrophobicContact CD1-CZ3 4.34Å; Y233-W361 HydrophobicContact CE1-CE3 4.3Å; Y233-W361 HydrophobicContact CE1-CZ3 4.05Å; H234-W361 CarbonylContact O-C 3.55Å; H234-W361 WeakPolarHBondContact O-CA 3.5Å; F235-W361 HydrophobicContact CD1-CB 3.91Å; F235-W361 HydrophobicContact CE1-CB 4.14Å; W361-L363 HydrophobicContact CZ3-CD1 4.46Å; W361-L363 HydrophobicContact CZ3-CD2 4.42Å; W361-L363 HydrophobicContact CZ3-CG 3.97Å
362	E	92	Very high	87.8	Confident	44 Å²	44	50.7 Å²	50.7	21%	0.206	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	154.3	174.9	66.4	-173.9	-166.4	0	0	111.9	Y232 H234 Y236 V364	Y232-E362 VanDerWaalsContact O-O 3.11Å; H234-E362 HydrophobicContact CB-CG 3.85Å; H234-E362 PolarHBondContact N-O 2.92Å; H234-E362 PolarHBondContact O-N 3.48Å; Y236-E362 HydrophobicContact CE2-CG 3.95Å; Y236-E362 PolarHBondContact OH-OE1 2.67Å; Y236-E362 VanDerWaalsContact OH-OE1 3.11Å; E362-V364 HydrophobicContact CG-CG2 3.84Å; E362-V364 WeakPolarHBondContact OE1-CG2 3.46Å
363	L	91.4	Very high	87.7	Confident	73 Å²	73	55.3 Å²	55.3	38%	0.382	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	104.6	167.4	-69.3	172.5	0	0	0	108.8	Y232 Y233 W361 T365	Y232-L363 HydrophobicContact CD2-CD2 3.55Å; Y232-L363 HydrophobicContact CE2-CD2 4.22Å; Y232-L363 CarbonylContact O-C 3.45Å; Y232-L363 VanDerWaalsContact O-CA 3.23Å; Y232-L363 WeakPolarHBondContact O-CA 3.49Å; Y233-L363 HydrophobicContact CD1-CD2 3.72Å; Y233-L363 HydrophobicContact CE1-CD2 3.34Å; Y233-L363 HydrophobicContact CE1-CG 4.38Å; Y233-L363 HydrophobicContact CG-CD2 4.42Å; W361-L363 HydrophobicContact CZ3-CD1 4.46Å; W361-L363 HydrophobicContact CZ3-CD2 4.42Å; W361-L363 HydrophobicContact CZ3-CG 3.97Å; L363-T365 PolarHBondContact O-N 3.16Å
364	V	87.3	Confident	87.5	Confident	27 Å²	27	55.6 Å²	55.6	16%	0.164	29%	0.288	C	S	.	.			trans	-81.8	117.1	176.2	-179	0	0	0	0	109.7	Y232 H234 E362 N366	Y232-V364 WeakPolarHBondContact CB-O 3.41Å; Y232-V364 PolarHBondContact O-N 3.23Å; H234-V364 HydrophobicContact CB-CG2 4.12Å; H234-V364 WeakPolarHBondContact ND1-CG2 3.2Å; E362-V364 HydrophobicContact CG-CG2 3.84Å; E362-V364 WeakPolarHBondContact OE1-CG2 3.46Å; V364-N366 HydrophobicContact CG1-CB 4.31Å
365	T	79.5	Confident	87.4	Confident	143 Å²	143	53.2 Å²	53.2	88%	0.877	28%	0.279	S	S	*	.			trans	-99.3	-2.6	178.5	60.1	0	0	0	0	113.1	L363	L363-T365 PolarHBondContact O-N 3.16Å
366	N	70.4	Confident	87.4	Confident	95 Å²	95	53.7 Å²	53.7	51%	0.508	28%	0.282	S	S	.	.			trans	-85.4	123	-178.2	-172.2	-17.7	0	0	0	110.8	V364 N368	V364-N366 HydrophobicContact CG1-CB 4.31Å; N366-N368 PolarHBondContact O-N 2.67Å; N366-N368 VanDerWaalsContact O-N 3.12Å; N366-N368 PolarHBondContact OD1-N 2.98Å; N366-N368 VanDerWaalsContact OD1-N 3.16Å
367	C	63.9	Low	87.4	Confident	95 Å²	95	56.5 Å²	56.5	64%	0.642	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-13	-177	54.4	0	0	0	0	115.3	I370	C367-I370 WeakPolarHBondContact O-CD1 3.27Å; C367-I370 VanDerWaalsContact O-CG1 3.24Å; C367-I370 WeakPolarHBondContact O-CG1 3.1Å
368	N	68.1	Low	87.5	Confident	145 Å²	145	55.5 Å²	55.5	78%	0.775	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-19.8	-176.1	-69.2	-18.6	0	0	0	114.2	N366	N366-N368 PolarHBondContact O-N 2.67Å; N366-N368 VanDerWaalsContact O-N 3.12Å; N366-N368 PolarHBondContact OD1-N 2.98Å; N366-N368 VanDerWaalsContact OD1-N 3.16Å
369	Q	65.3	Low	87.7	Confident	85 Å²	85	55.5 Å²	55.5	40%	0.397	29%	0.286	S	S	.	.			trans	-136.9	80	176.9	-170.9	173.3	7.2	0	0	108.9
370	I	80.4	Confident	88	Confident	73 Å²	73	57.9 Å²	57.9	37%	0.374	30%	0.298	S	S	.	.			trans	-78.7	-36.5	-170.8	-66.7	179	0	0	0	111.3	N231 C367	N231-I370 CarbonylContact C-O 3.45Å; N231-I370 WeakPolarHBondContact CA-O 3.32Å; N231-I370 HydrophobicContact CB-CG2 3.24Å; N231-I370 WeakPolarHBondContact ND2-CG2 3.42Å; N231-I370 WeakPolarHBondContact O-CG2 3.46Å; C367-I370 WeakPolarHBondContact O-CD1 3.27Å; C367-I370 VanDerWaalsContact O-CG1 3.24Å; C367-I370 WeakPolarHBondContact O-CG1 3.1Å
371	K	90.3	Very high	88.2	Confident	75 Å²	75	58.4 Å²	58.4	33%	0.326	30%	0.3	S	S	.	.	S	Bend	trans	-99.4	148.6	-177.3	-60.3	-173.7	-175.3	-162.2	0	111.1	E228 H234 E373	E228-K371 WeakPolarHBondContact O-CE 3.42Å; E228-K371 PolarHBondContact O-NZ 3.28Å; H234-K371 PolarHBondContact NE2-O 2.88Å; K371-E373 HydrophobicContact CB-CG 4.41Å; K371-E373 PolarHBondContact O-N 3.33Å
372	D	94.4	Very high	88.4	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.011	30%	0.297	C	S	.	.			trans	-74.3	70.5	167.9	-169.1	-10.1	0	0	0	110.7	F227 H234 F235 N374 F375 L376	F227-D372 HydrophobicContact CD1-CB 4.23Å; F227-D372 HydrophobicContact CE1-CB 4.37Å; H234-D372 WeakPolarHBondContact CA-OD2 3.48Å; F235-D372 PolarHBondContact N-OD2 2.91Å; D372-N374 PolarHBondContact O-N 3.36Å; D372-N374 WeakPolarHBondContact OD1-CB 3.42Å; D372-N374 PolarHBondContact OD1-N 3.13Å; D372-F375 HydrophobicContact CB-CB 4.35Å; D372-F375 PolarHBondContact O-N 3.44Å; D372-F375 PolarHBondContact OD1-N 3.27Å; D372-F375 WeakPolarHBondContact OD2-CB 3.5Å; D372-L376 VanDerWaalsContact O-CB 3.29Å; D372-L376 WeakPolarHBondContact O-CB 3.37Å; D372-L376 PolarHBondContact O-N 3.12Å
373	E	93.9	Very high	88.7	Confident	102 Å²	102	55.7 Å²	55.7	48%	0.477	29%	0.288	S	S	.	.	H	α-helix	trans	-59.3	-24.7	176.8	-64.2	-62.2	161.7	0	0	112.1	K371 Y377	K371-E373 HydrophobicContact CB-CG 4.41Å; K371-E373 PolarHBondContact O-N 3.33Å; E373-Y377 VanDerWaalsContact O-CB 3.31Å; E373-Y377 WeakPolarHBondContact O-CB 3.38Å; E373-Y377 PolarHBondContact O-N 2.86Å; E373-Y377 VanDerWaalsContact O-N 3.11Å
374	N	95.1	Very high	89.1	Confident	11 Å²	11	57 Å²	57	6%	0.059	29%	0.292	C	S	.	.	H	α-helix	trans	-65	-50.2	177.1	173.7	59.1	0	0	0	110.9	G134 R135 R136 D372	G134-N374 WeakPolarHBondContact CA-O 3.32Å; R135-N374 WeakPolarHBondContact CA-OD1 3.29Å; R135-N374 PolarHBondContact N-O 3.29Å; R135-N374 PolarHBondContact N-OD1 3.5Å; R136-N374 VanDerWaalsContact CG-OD1 3.26Å; R136-N374 WeakPolarHBondContact CG-OD1 3.33Å; R136-N374 PolarHBondContact N-OD1 2.93Å; R136-N374 PolarHBondContact O-ND2 3.05Å; R136-N374 PolarHBondContact O-OD1 2.77Å; D372-N374 PolarHBondContact O-N 3.36Å; D372-N374 WeakPolarHBondContact OD1-CB 3.42Å; D372-N374 PolarHBondContact OD1-N 3.13Å
375	F	97	Very high	89.6	Confident	1 Å²	1	56.1 Å²	56.1	0%	0.004	29%	0.287	C	S	.	.	H	α-helix	trans	-72	-45.8	177	-161.8	-71.2	0	0	0	111.5	M133 F227 F235 L240 L355 D372 Y377 G378 L379	M133-F375 HydrophobicContact CB-CD1 4.44Å; M133-F375 HydrophobicContact CB-CD2 3.68Å; M133-F375 HydrophobicContact CB-CE1 4.12Å; M133-F375 HydrophobicContact CB-CE2 3.31Å; M133-F375 HydrophobicContact CB-CG 4.22Å; M133-F375 HydrophobicContact CB-CZ 3.54Å; M133-F375 HydrophobicContact CE-CE1 4.25Å; M133-F375 HydrophobicContact CG-CD2 4.47Å; M133-F375 HydrophobicContact CG-CE1 4.01Å; M133-F375 HydrophobicContact CG-CE2 3.7Å; M133-F375 HydrophobicContact CG-CZ 3.4Å; F227-F375 HydrophobicContact CD1-CB 4.29Å; F227-F375 HydrophobicContact CD1-CD1 4.16Å; F227-F375 HydrophobicContact CD1-CG 4.35Å; F227-F375 HydrophobicContact CD2-CD1 4.16Å; F227-F375 HydrophobicContact CD2-CE1 4.31Å; F227-F375 HydrophobicContact CE1-CB 3.78Å; F227-F375 AromaticContact CE1-CD1 3.6Å; F227-F375 HydrophobicContact CE1-CD1 3.6Å; F227-F375 HydrophobicContact CE1-CD2 4.14Å; F227-F375 HydrophobicContact CE1-CE1 4.24Å; F227-F375 AromaticContact CE1-CG 3.57Å; F227-F375 HydrophobicContact CE1-CG 3.57Å; F227-F375 AromaticContact CE2-CD1 3.62Å; F227-F375 HydrophobicContact CE2-CD1 3.62Å; F227-F375 AromaticContact CE2-CE1 3.5Å; F227-F375 HydrophobicContact CE2-CE1 3.5Å; F227-F375 HydrophobicContact CE2-CG 4.34Å; F227-F375 HydrophobicContact CE2-CZ 4.12Å; F227-F375 HydrophobicContact CG-CD1 4.42Å; F227-F375 HydrophobicContact CZ-CB 4.31Å; F227-F375 AromaticContact CZ-CD1 3.31Å; F227-F375 HydrophobicContact CZ-CD1 3.31Å; F227-F375 AromaticContact CZ-CD2 3.92Å; F227-F375 HydrophobicContact CZ-CD2 3.92Å; F227-F375 AromaticContact CZ-CE1 3.47Å; F227-F375 HydrophobicContact CZ-CE1 3.47Å; F227-F375 VanDerWaalsContact CZ-CE1 3.47Å; F227-F375 HydrophobicContact CZ-CE2 4.02Å; F227-F375 AromaticContact CZ-CG 3.57Å; F227-F375 HydrophobicContact CZ-CG 3.57Å; F227-F375 AromaticContact CZ-CZ 3.83Å; F227-F375 HydrophobicContact CZ-CZ 3.83Å; F235-F375 HydrophobicContact CB-CD2 4.1Å; F235-F375 HydrophobicContact CB-CE2 4.46Å; L240-F375 HydrophobicContact CD1-CE1 4.4Å; L240-F375 HydrophobicContact CD1-CZ 4.45Å; L240-F375 HydrophobicContact CD2-CZ 4.28Å; L240-F375 HydrophobicContact CG-CZ 4.13Å; L355-F375 HydrophobicContact CD2-CE1 4.11Å; L355-F375 HydrophobicContact CD2-CE2 3.83Å; L355-F375 HydrophobicContact CD2-CZ 3.27Å; D372-F375 HydrophobicContact CB-CB 4.35Å; D372-F375 PolarHBondContact O-N 3.44Å; D372-F375 PolarHBondContact OD1-N 3.27Å; D372-F375 WeakPolarHBondContact OD2-CB 3.5Å; F375-Y377 VanDerWaalsContact C-N 3.29Å; F375-Y377 PolarHBondContact O-N 3.47Å; F375-G378 PolarHBondContact O-N 3.42Å; F375-L379 HydrophobicContact CD1-CB 4.33Å; F375-L379 HydrophobicContact CE1-CB 4.4Å; F375-L379 HydrophobicContact CE1-CD2 4.36Å; F375-L379 PolarHBondContact O-N 3.24Å
376	L	96.9	Very high	90.5	Very high	10 Å²	10	49.3 Å²	49.3	5%	0.052	25%	0.245	C	C	.	.	H	α-helix	trans	-60.5	-36.5	-174.9	-174.5	60.2	0	0	0	112.4	A224 F227 E228 D372 L379 N380	A224-L376 HydrophobicContact CB-CD1 4.36Å; F227-L376 HydrophobicContact CB-CD1 4.05Å; E228-L376 HydrophobicContact CG-CD1 4.1Å; E228-L376 HydrophobicContact CG-CD2 3.94Å; D372-L376 VanDerWaalsContact O-CB 3.29Å; D372-L376 WeakPolarHBondContact O-CB 3.37Å; D372-L376 PolarHBondContact O-N 3.12Å; L376-L379 PolarHBondContact O-N 3.48Å; L376-N380 WeakPolarHBondContact O-CB 3.36Å; L376-N380 PolarHBondContact O-N 2.89Å; L376-N380 PolarHBondContact O-ND2 2.87Å
377	Y	97.9	Very high	91.9	Very high	92 Å²	92	48.7 Å²	48.7	36%	0.361	24%	0.238	S	C	.	.	H	α-helix	trans	-57.2	-52.4	174.4	177.2	-84.6	0	0	0	112.3	R135 E159 E373 F375 L379 N380 Y381	R135-Y377 HydrophobicContact CG-CD1 3.46Å; R135-Y377 VanDerWaalsContact CG-CD1 3.46Å; R135-Y377 HydrophobicContact CG-CE1 4.01Å; R135-Y377 HydrophobicContact CG-CG 3.93Å; E159-Y377 WeakPolarHBondContact O-CE1 3.47Å; E159-Y377 PolarHBondContact O-OH 3.4Å; E373-Y377 VanDerWaalsContact O-CB 3.31Å; E373-Y377 WeakPolarHBondContact O-CB 3.38Å; E373-Y377 PolarHBondContact O-N 2.86Å; E373-Y377 VanDerWaalsContact O-N 3.11Å; F375-Y377 VanDerWaalsContact C-N 3.29Å; F375-Y377 PolarHBondContact O-N 3.47Å; Y377-L379 VanDerWaalsContact C-N 3.33Å; Y377-L379 PolarHBondContact O-N 3.46Å; Y377-N380 PolarHBondContact O-N 3.09Å; Y377-Y381 PolarHBondContact O-N 3.4Å
378	G	98.1	Very high	93.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.2	-38.6	-178.8	0	0	0	0	0	112.2	G161 F375 Y381 L382	G161-G378 WeakPolarHBondContact O-CA 3.44Å; F375-G378 PolarHBondContact O-N 3.42Å; G378-Y381 PolarHBondContact O-N 3.16Å; G378-L382 WeakPolarHBondContact O-CB 3.48Å; G378-L382 PolarHBondContact O-N 3.08Å
379	L	98.5	Very high	94.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63	-43.9	176	179.1	55.6	0	0	0	111.9	M133 L220 L223 A224 F227 L240 F375 L376 Y377 L382 I383	M133-L379 HydrophobicContact CE-CB 4.2Å; L220-L379 HydrophobicContact CB-CD1 4.26Å; L220-L379 HydrophobicContact CD2-CD1 3.72Å; L223-L379 HydrophobicContact CD2-CD2 4.44Å; L223-L379 HydrophobicContact CG-CD2 4.13Å; A224-L379 HydrophobicContact CB-CD2 3.8Å; A224-L379 HydrophobicContact CB-CG 4.16Å; F227-L379 HydrophobicContact CD2-CD2 3.97Å; F227-L379 HydrophobicContact CE2-CD2 4.5Å; L240-L379 HydrophobicContact CD1-CD1 3.97Å; F375-L379 HydrophobicContact CD1-CB 4.33Å; F375-L379 HydrophobicContact CE1-CB 4.4Å; F375-L379 HydrophobicContact CE1-CD2 4.36Å; F375-L379 PolarHBondContact O-N 3.24Å; L376-L379 PolarHBondContact O-N 3.48Å; Y377-L379 VanDerWaalsContact C-N 3.33Å; Y377-L379 PolarHBondContact O-N 3.46Å; L379-L382 WeakPolarHBondContact O-CB 3.17Å; L379-L382 PolarHBondContact O-N 3.24Å; L379-I383 HydrophobicContact CD1-CD1 4.34Å; L379-I383 HydrophobicContact CG-CD1 4.23Å; L379-I383 VanDerWaalsContact O-CG1 3.31Å; L379-I383 WeakPolarHBondContact O-CG1 3.22Å; L379-I383 PolarHBondContact O-N 3.29Å
380	N	98.6	Very high	96.4	Very high	63 Å²	63	40.8 Å²	40.8	34%	0.337	18%	0.184	S	C	.	.	H	α-helix	trans	-65.5	-42.5	177.3	-76.8	-27.6	0	0	0	112.1	L376 Y377 L382 I383 E384	L376-N380 WeakPolarHBondContact O-CB 3.36Å; L376-N380 PolarHBondContact O-N 2.89Å; L376-N380 PolarHBondContact O-ND2 2.87Å; Y377-N380 PolarHBondContact O-N 3.09Å; N380-L382 VanDerWaalsContact C-N 3.33Å; N380-L382 PolarHBondContact O-N 3.18Å; N380-I383 WeakPolarHBondContact O-CB 3.34Å; N380-I383 PolarHBondContact O-N 3.48Å; N380-E384 PolarHBondContact O-N 2.73Å
381	Y	98.6	Very high	97.2	Very high	71 Å²	71	43.7 Å²	43.7	28%	0.278	20%	0.2	S	C	.	.	H	α-helix	trans	-63	-41.1	175.3	-174.3	-126	0	0	0	111.9	I160 F162 I193 Y377 G378 I383 E384 L385	I160-Y381 HydrophobicContact CB-CE1 4.46Å; I160-Y381 HydrophobicContact CG1-CE1 4.46Å; I160-Y381 HydrophobicContact CG2-CD1 4.24Å; I160-Y381 HydrophobicContact CG2-CE1 4.14Å; I160-Y381 VanDerWaalsContact O-CD1 3.24Å; I160-Y381 WeakPolarHBondContact O-CD1 3.41Å; F162-Y381 AromaticContact CE1-CD1 3.85Å; F162-Y381 HydrophobicContact CE1-CD1 3.85Å; F162-Y381 HydrophobicContact CZ-CD1 4.48Å; I193-Y381 HydrophobicContact CG2-CE1 4.41Å; Y377-Y381 PolarHBondContact O-N 3.4Å; G378-Y381 PolarHBondContact O-N 3.16Å; Y381-I383 VanDerWaalsContact C-N 3.34Å; Y381-I383 PolarHBondContact O-N 2.93Å; Y381-E384 PolarHBondContact O-N 2.7Å; Y381-E384 VanDerWaalsContact O-N 3.17Å; Y381-L385 HydrophobicContact CD1-CD1 4.3Å; Y381-L385 HydrophobicContact CE1-CD1 4.05Å; Y381-L385 HydrophobicContact CE1-CG 4.46Å; Y381-L385 HydrophobicContact CE2-CD2 4.32Å; Y381-L385 WeakPolarHBondContact O-CG 3.47Å; Y381-L385 PolarHBondContact O-N 2.83Å
382	L	98.7	Very high	97.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.4	-43.2	174.3	-175.2	64.8	0	0	0	112.1	L131 F162 I198 L220 L240 L242 G378 L379 N380 E384 L385 F386	L131-L382 HydrophobicContact CD1-CD1 3.82Å; L131-L382 HydrophobicContact CD1-CD2 3.55Å; L131-L382 HydrophobicContact CD1-CG 4.34Å; F162-L382 HydrophobicContact CD1-CB 4.4Å; F162-L382 HydrophobicContact CE1-CB 3.96Å; F162-L382 HydrophobicContact CE1-CD1 4.12Å; F162-L382 HydrophobicContact CE2-CD1 4.41Å; F162-L382 HydrophobicContact CZ-CD1 3.9Å; I198-L382 HydrophobicContact CD1-CD1 3.73Å; L220-L382 HydrophobicContact CD1-CD2 4.12Å; L220-L382 HydrophobicContact CD1-CG 4.13Å; L220-L382 HydrophobicContact CD2-CD2 4Å; L240-L382 HydrophobicContact CD1-CD2 4.14Å; L242-L382 HydrophobicContact CD1-CD2 4.47Å; G378-L382 WeakPolarHBondContact O-CB 3.48Å; G378-L382 PolarHBondContact O-N 3.08Å; L379-L382 WeakPolarHBondContact O-CB 3.17Å; L379-L382 PolarHBondContact O-N 3.24Å; N380-L382 VanDerWaalsContact C-N 3.33Å; N380-L382 PolarHBondContact O-N 3.18Å; L382-E384 VanDerWaalsContact C-N 3.32Å; L382-E384 PolarHBondContact O-N 3.49Å; L382-L385 PolarHBondContact O-N 2.96Å; L382-F386 HydrophobicContact CD1-CD2 4.05Å; L382-F386 HydrophobicContact CD1-CE2 3.67Å; L382-F386 HydrophobicContact CG-CD2 4.04Å; L382-F386 HydrophobicContact CG-CE2 3.93Å; L382-F386 WeakPolarHBondContact O-CD2 3.2Å; L382-F386 PolarHBondContact O-N 3.09Å
383	I	98.8	Very high	97.1	Very high	6 Å²	6	44.9 Å²	44.9	3%	0.031	22%	0.215	C	C	.	.	H	α-helix	trans	-58.3	-44	174.7	-71.9	163.7	0	0	0	110.8	L220 A224 L379 N380 Y381 L385 F386 K387	L220-I383 HydrophobicContact CB-CD1 4.12Å; L220-I383 HydrophobicContact CB-CG1 3.57Å; L220-I383 HydrophobicContact CD1-CG1 4.41Å; A224-I383 HydrophobicContact CB-CD1 3.82Å; L379-I383 HydrophobicContact CD1-CD1 4.34Å; L379-I383 HydrophobicContact CG-CD1 4.23Å; L379-I383 VanDerWaalsContact O-CG1 3.31Å; L379-I383 WeakPolarHBondContact O-CG1 3.22Å; L379-I383 PolarHBondContact O-N 3.29Å; N380-I383 WeakPolarHBondContact O-CB 3.34Å; N380-I383 PolarHBondContact O-N 3.48Å; Y381-I383 VanDerWaalsContact C-N 3.34Å; Y381-I383 PolarHBondContact O-N 2.93Å; I383-L385 PolarHBondContact O-N 3.19Å; I383-F386 PolarHBondContact O-N 3.21Å; I383-K387 HydrophobicContact CG2-CD 4.13Å; I383-K387 HydrophobicContact CG2-CG 4.33Å; I383-K387 WeakPolarHBondContact O-CG 3.34Å; I383-K387 PolarHBondContact O-N 3.01Å
384	E	98.7	Very high	96.9	Very high	100 Å²	100	43 Å²	43	47%	0.467	21%	0.211	S	C	.	.	H	α-helix	trans	-63.8	-38	177.7	-67.7	-52.2	128.5	0	0	112.7	N380 Y381 L382 K387 R388	N380-E384 PolarHBondContact O-N 2.73Å; Y381-E384 PolarHBondContact O-N 2.7Å; Y381-E384 VanDerWaalsContact O-N 3.17Å; L382-E384 VanDerWaalsContact C-N 3.32Å; L382-E384 PolarHBondContact O-N 3.49Å; E384-K387 PolarHBondContact O-N 3.35Å; E384-K387 WeakPolarHBondContact OE1-CD 3.37Å; E384-K387 IonicContact OE1-NZ 3.89Å; E384-K387 PolarHBondContact OE1-NZ 2.65Å; E384-R388 WeakPolarHBondContact O-CB 3.48Å; E384-R388 PolarHBondContact O-N 3.47Å
385	L	98.6	Very high	96.4	Very high	9 Å²	9	44.6 Å²	44.6	5%	0.047	22%	0.222	C	C	.	.	H	α-helix	trans	-63.4	-43.2	174.5	-62.7	174.5	0	0	0	111.8	F162 I193 Y194 I198 Y381 L382 I383 R388 A389	F162-L385 HydrophobicContact CE1-CD1 4.34Å; F162-L385 HydrophobicContact CZ-CD1 3.8Å; I193-L385 HydrophobicContact CG1-CD1 4.36Å; I193-L385 HydrophobicContact CG2-CD1 4.4Å; Y194-L385 HydrophobicContact CD2-CB 4.34Å; Y194-L385 HydrophobicContact CD2-CD2 3.96Å; Y194-L385 WeakPolarHBondContact CE2-O 3.21Å; Y194-L385 HydrophobicContact CG-CD2 4.46Å; I198-L385 HydrophobicContact CD1-CD1 4.42Å; I198-L385 HydrophobicContact CG1-CB 3.96Å; I198-L385 HydrophobicContact CG1-CD1 3.84Å; Y381-L385 HydrophobicContact CD1-CD1 4.3Å; Y381-L385 HydrophobicContact CE1-CD1 4.05Å; Y381-L385 HydrophobicContact CE1-CG 4.46Å; Y381-L385 HydrophobicContact CE2-CD2 4.32Å; Y381-L385 WeakPolarHBondContact O-CG 3.47Å; Y381-L385 PolarHBondContact O-N 2.83Å; L382-L385 PolarHBondContact O-N 2.96Å; I383-L385 PolarHBondContact O-N 3.19Å; L385-R388 WeakPolarHBondContact O-CB 3.38Å; L385-R388 PolarHBondContact O-N 3.29Å; L385-A389 PolarHBondContact O-N 3.32Å
386	F	98.6	Very high	95.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-70.3	-35.2	175.5	-80	-74.8	0	0	0	112.7	I198 F201 L202 A213 F216 V217 L220 L242 L382 I383 R388 A389 S390	I198-F386 HydrophobicContact CD1-CE2 4.2Å; I198-F386 HydrophobicContact CD1-CZ 4.32Å; I198-F386 HydrophobicContact CG2-CD1 4.06Å; I198-F386 HydrophobicContact CG2-CE1 3.92Å; I198-F386 HydrophobicContact CG2-CG 4.43Å; I198-F386 HydrophobicContact CG2-CZ 4.16Å; F201-F386 HydrophobicContact CD1-CE1 4.36Å; F201-F386 HydrophobicContact CD1-CZ 4.12Å; F201-F386 HydrophobicContact CE1-CE1 4.45Å; F201-F386 HydrophobicContact CE1-CZ 4.16Å; L202-F386 HydrophobicContact CD1-CD1 4.26Å; L202-F386 HydrophobicContact CD1-CE1 4.17Å; L202-F386 HydrophobicContact CD2-CD1 4.49Å; L202-F386 HydrophobicContact CD2-CE1 3.96Å; L202-F386 HydrophobicContact CG-CE1 4.17Å; A213-F386 HydrophobicContact CB-CD1 4.15Å; F216-F386 HydrophobicContact CB-CD1 3.76Å; F216-F386 HydrophobicContact CB-CD2 4.35Å; F216-F386 HydrophobicContact CB-CE1 3.93Å; F216-F386 HydrophobicContact CB-CE2 4.49Å; F216-F386 HydrophobicContact CB-CG 3.99Å; F216-F386 HydrophobicContact CB-CZ 4.31Å; F216-F386 HydrophobicContact CD2-CD1 4.13Å; F216-F386 AromaticContact CD2-CE1 3.62Å; F216-F386 HydrophobicContact CD2-CE1 3.62Å; F216-F386 HydrophobicContact CD2-CZ 4.19Å; F216-F386 HydrophobicContact CE2-CE1 4.36Å; F216-F386 HydrophobicContact CG-CD1 4.21Å; F216-F386 AromaticContact CG-CE1 3.87Å; F216-F386 HydrophobicContact CG-CE1 3.87Å; F216-F386 HydrophobicContact CG-CZ 4.14Å; V217-F386 HydrophobicContact CG2-CB 3.68Å; L220-F386 HydrophobicContact CD1-CD2 3.61Å; L220-F386 HydrophobicContact CD1-CE2 3.94Å; L220-F386 HydrophobicContact CD1-CG 4.43Å; L242-F386 HydrophobicContact CD1-CE2 3.62Å; L242-F386 HydrophobicContact CD1-CZ 3.6Å; L382-F386 HydrophobicContact CD1-CD2 4.05Å; L382-F386 HydrophobicContact CD1-CE2 3.67Å; L382-F386 HydrophobicContact CG-CD2 4.04Å; L382-F386 HydrophobicContact CG-CE2 3.93Å; L382-F386 WeakPolarHBondContact O-CD2 3.2Å; L382-F386 PolarHBondContact O-N 3.09Å; I383-F386 PolarHBondContact O-N 3.21Å; F386-R388 VanDerWaalsContact C-N 3.33Å; F386-R388 PolarHBondContact O-N 3.24Å; F386-A389 PolarHBondContact O-N 3.3Å; F386-S390 PolarHBondContact O-N 3.46Å
387	K	98.6	Very high	94.5	Very high	82 Å²	82	51.4 Å²	51.4	36%	0.357	26%	0.258	S	S	.	.	H	α-helix	trans	-58.7	-45.7	170.7	-76.8	175.3	-176.7	167.4	0	110.8	V217 I383 E384 A389 S390	V217-K387 HydrophobicContact CG1-CG 4Å; V217-K387 HydrophobicContact CG2-CB 4.43Å; V217-K387 HydrophobicContact CG2-CG 3.78Å; I383-K387 HydrophobicContact CG2-CD 4.13Å; I383-K387 HydrophobicContact CG2-CG 4.33Å; I383-K387 WeakPolarHBondContact O-CG 3.34Å; I383-K387 PolarHBondContact O-N 3.01Å; E384-K387 PolarHBondContact O-N 3.35Å; E384-K387 WeakPolarHBondContact OE1-CD 3.37Å; E384-K387 IonicContact OE1-NZ 3.89Å; E384-K387 PolarHBondContact OE1-NZ 2.65Å; K387-A389 PolarHBondContact O-N 3Å; K387-S390 WeakPolarHBondContact O-CB 3.46Å; K387-S390 PolarHBondContact O-N 3.2Å; K387-S390 PolarHBondContact O-OG 2.83Å
388	R	98.1	Very high	92.6	Very high	135 Å²	135	54 Å²	54	51%	0.509	27%	0.271	S	S	.	.	H	α-helix	trans	-58.1	-48.5	173.7	-174.4	-176.2	165.3	179.3	-7.1	111.5	Y194 E384 L385 F386 S390 L391 D392	Y194-R388 HydrophobicContact CE1-CG 4.28Å; Y194-R388 HydrophobicContact CE2-CB 3.91Å; Y194-R388 HydrophobicContact CE2-CG 3.83Å; E384-R388 WeakPolarHBondContact O-CB 3.48Å; E384-R388 PolarHBondContact O-N 3.47Å; L385-R388 WeakPolarHBondContact O-CB 3.38Å; L385-R388 PolarHBondContact O-N 3.29Å; F386-R388 VanDerWaalsContact C-N 3.33Å; F386-R388 PolarHBondContact O-N 3.24Å; R388-S390 VanDerWaalsContact C-N 3.26Å; R388-S390 PolarHBondContact O-N 3.06Å; R388-L391 PolarHBondContact O-N 3.46Å; R388-L391 VanDerWaalsContact O-N 3.09Å; R388-D392 PolarHBondContact O-N 3.28Å
389	A	97.5	Very high	90.8	Very high	5 Å²	5	54.6 Å²	54.6	4%	0.041	27%	0.274	C	S	.	.	H	α-helix	trans	-61.7	-29	177.2	0	0	0	0	0	113.8	Y194 I198 L202 A213 L385 F386 K387 L391	Y194-A389 HydrophobicContact CE2-CB 4.15Å; Y194-A389 VanDerWaalsContact OH-CA 3.32Å; Y194-A389 WeakPolarHBondContact OH-CA 3.37Å; Y194-A389 PolarHBondContact OH-N 3.19Å; I198-A389 HydrophobicContact CG2-CB 4.48Å; L202-A389 HydrophobicContact CD1-CB 3.62Å; A213-A389 HydrophobicContact CB-CB 3.87Å; L385-A389 PolarHBondContact O-N 3.32Å; F386-A389 PolarHBondContact O-N 3.3Å; K387-A389 PolarHBondContact O-N 3Å; A389-L391 PolarHBondContact O-N 2.87Å
390	S	97.1	Very high	88.4	Confident	19 Å²	19	61.2 Å²	61.2	13%	0.133	32%	0.318	C	S	.	.	H	α-helix	trans	-68.7	-18.3	176.3	78.5	0	0	0	0	113.7	K210 F386 K387 R388	K210-S390 WeakPolarHBondContact CE-O 3.15Å; F386-S390 PolarHBondContact O-N 3.46Å; K387-S390 WeakPolarHBondContact O-CB 3.46Å; K387-S390 PolarHBondContact O-N 3.2Å; K387-S390 PolarHBondContact O-OG 2.83Å; R388-S390 VanDerWaalsContact C-N 3.26Å; R388-S390 PolarHBondContact O-N 3.06Å
391	L	96.8	Very high	86.3	Confident	135 Å²	135	60.6 Å²	60.6	71%	0.707	32%	0.318	S	S	*	.	H	α-helix	trans	-109.1	-24.2	-178.9	-58.1	176.6	0	0	0	112.6	R388 A389 S393	R388-L391 PolarHBondContact O-N 3.46Å; R388-L391 VanDerWaalsContact O-N 3.09Å; A389-L391 PolarHBondContact O-N 2.87Å; L391-S393 PolarHBondContact O-N 2.93Å; L391-S393 PolarHBondContact O-OG 2.87Å
392	D	93.2	Very high	84.1	Confident	30 Å²	30	59 Å²	59	16%	0.16	31%	0.314	C	S	.	.			trans	-69.2	125.6	-177.1	-162.6	-16.4	0	0	0	111.4	Y194 R199 K210 R388 T394	Y194-D392 VanDerWaalsContact OH-CB 3.29Å; Y194-D392 WeakPolarHBondContact OH-CB 3.38Å; Y194-D392 PolarHBondContact OH-OD2 2.86Å; Y194-D392 VanDerWaalsContact OH-OD2 3.1Å; R199-D392 IonicContact CZ-OD2 3.94Å; R199-D392 IonicContact NH1-OD2 3.81Å; K210-D392 WeakPolarHBondContact CD-O 3.43Å; K210-D392 WeakPolarHBondContact CG-O 3.5Å; R388-D392 PolarHBondContact O-N 3.28Å; D392-T394 WeakPolarHBondContact OD1-CB 3.45Å; D392-T394 PolarHBondContact OD1-N 3.2Å; D392-T394 PolarHBondContact OD1-OG1 3Å
393	S	90.2	Very high	81.2	Confident	71 Å²	71	64.2 Å²	64.2	50%	0.497	35%	0.35	S	S	.	.			trans	-114	11.9	179.1	-51.9	0	0	0	0	112.3	K210 L391	K210-S393 PolarHBondContact NZ-OG 3Å; K210-S393 VanDerWaalsContact NZ-OG 3.09Å; L391-S393 PolarHBondContact O-N 2.93Å; L391-S393 PolarHBondContact O-OG 2.87Å
394	T	89.2	Confident	78.6	Confident	63 Å²	63	67.7 Å²	67.7	39%	0.387	37%	0.368	S	S	.	.			trans	-74.2	131.8	177.9	-46.5	0	0	0	0	109.7	R199 D392 K398	R199-T394 PolarHBondContact NH2-O 2.86Å; D392-T394 WeakPolarHBondContact OD1-CB 3.45Å; D392-T394 PolarHBondContact OD1-N 3.2Å; D392-T394 PolarHBondContact OD1-OG1 3Å; T394-K398 HydrophobicContact CG2-CB 4.43Å
395	P	84.7	Confident	75.3	Confident	44 Å²	44	70.8 Å²	70.8	29%	0.286	39%	0.394	S	S	.	.			trans	-62.1	152.4	169.4	-26.8	37.4	0	0	0	113.2	R199 D397 K398	R199-P395 VanDerWaalsContact NH2-C 3.34Å; R199-P395 PolarHBondContact NH2-O 3.19Å; P395-D397 WeakPolarHBondContact CB-OD1 2.93Å; P395-K398 HydrophobicContact CB-CD 4.49Å; P395-K398 HydrophobicContact CB-CG 4.35Å; P395-K398 HydrophobicContact CG-CD 4.33Å
396	L	78.5	Confident	74.2	Confident	18 Å²	18	73.9 Å²	73.9	9%	0.094	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-73.9	-33.7	-176.2	-160.4	81.9	0	0	0	112.4	R199 K398 I399 L402	R199-L396 HydrophobicContact CB-CD1 3.68Å; L396-K398 PolarHBondContact O-N 3.36Å; L396-I399 HydrophobicContact CD1-CD1 3.49Å; L396-I399 VanDerWaalsContact CD1-CD1 3.49Å; L396-I399 HydrophobicContact CG-CD1 3.94Å; L396-I399 WeakPolarHBondContact O-CB 3.34Å; L396-I399 WeakPolarHBondContact O-CD1 3.5Å; L396-I399 VanDerWaalsContact O-CG1 3.22Å; L396-I399 WeakPolarHBondContact O-CG1 3.39Å; L396-I399 PolarHBondContact O-N 2.93Å; L396-I399 VanDerWaalsContact O-N 3.16Å; L396-L402 HydrophobicContact CD2-CD2 3.59Å; L396-L402 HydrophobicContact CG-CD2 3.82Å
397	D	75.1	Confident	72.9	Confident	137 Å²	137	77.8 Å²	77.8	73%	0.733	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-65.6	-16.2	176.5	61.3	-43.6	0	0	0	113.6	P395 I399	P395-D397 WeakPolarHBondContact CB-OD1 2.93Å; D397-I399 VanDerWaalsContact C-N 3.33Å
398	K	59.4	Low	71.5	Confident	145 Å²	145	77.6 Å²	77.6	63%	0.63	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-89.6	4.4	175.7	-64.3	-171	-178.3	180	0	113.8	T394 P395 L396 P400	T394-K398 HydrophobicContact CG2-CB 4.43Å; P395-K398 HydrophobicContact CB-CD 4.49Å; P395-K398 HydrophobicContact CB-CG 4.35Å; P395-K398 HydrophobicContact CG-CD 4.33Å; L396-K398 PolarHBondContact O-N 3.36Å; K398-P400 WeakPolarHBondContact O-CD 3.16Å
399	I	59.1	Low	69.9	Low	13 Å²	13	74.2 Å²	74.2	7%	0.067	43%	0.434	C	S	.	.			trans	-86.1	118	178.5	-56.4	171.7	0	0	0	109	D195 R199 L396 D397 S401 L402	D195-I399 HydrophobicContact CB-CD1 3.98Å; D195-I399 HydrophobicContact CB-CG2 3.63Å; R199-I399 VanDerWaalsContact NH1-CG1 3.26Å; L396-I399 HydrophobicContact CD1-CD1 3.49Å; L396-I399 VanDerWaalsContact CD1-CD1 3.49Å; L396-I399 HydrophobicContact CG-CD1 3.94Å; L396-I399 WeakPolarHBondContact O-CB 3.34Å; L396-I399 WeakPolarHBondContact O-CD1 3.5Å; L396-I399 VanDerWaalsContact O-CG1 3.22Å; L396-I399 WeakPolarHBondContact O-CG1 3.39Å; L396-I399 PolarHBondContact O-N 2.93Å; L396-I399 VanDerWaalsContact O-N 3.16Å; D397-I399 VanDerWaalsContact C-N 3.33Å; I399-S401 VanDerWaalsContact CG2-OG 3.25Å; I399-S401 WeakPolarHBondContact CG2-OG 3.36Å; I399-S401 PolarHBondContact O-N 3.1Å; I399-L402 PolarHBondContact O-N 3.42Å
400	P	47.4	Very low	68.2	Low	140 Å²	140	78.5 Å²	78.5	91%	0.909	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-16.7	-176.4	-23.5	33.3	0	0	0	115.4	K398	K398-P400 WeakPolarHBondContact O-CD 3.16Å
401	S	55.4	Low	66.2	Low	50 Å²	50	82.5 Å²	82.5	35%	0.35	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	0.7	-172.7	56.4	0	0	0	0	115.1	N196 I399	N196-S401 PolarHBondContact ND2-O 3.46Å; N196-S401 PolarHBondContact OD1-OG 3.09Å; I399-S401 VanDerWaalsContact CG2-OG 3.25Å; I399-S401 WeakPolarHBondContact CG2-OG 3.36Å; I399-S401 PolarHBondContact O-N 3.1Å
402	L	51.5	Low	64.1	Low	38 Å²	38	78.7 Å²	78.7	20%	0.199	46%	0.463	C	S	.	.			trans	-102.5	76	-178.8	-122.1	88.2	0	0	0	110.8	N196 L200 L396 I399 I404	N196-L402 HydrophobicContact CB-CD1 4.26Å; N196-L402 VanDerWaalsContact OD1-CD1 3.26Å; N196-L402 WeakPolarHBondContact OD1-CD1 3.41Å; L200-L402 HydrophobicContact CD1-CD2 4.22Å; L396-L402 HydrophobicContact CD2-CD2 3.59Å; L396-L402 HydrophobicContact CG-CD2 3.82Å; I399-L402 PolarHBondContact O-N 3.42Å; L402-I404 HydrophobicContact CD2-CD1 3.43Å; L402-I404 VanDerWaalsContact CD2-CD1 3.43Å; L402-I404 HydrophobicContact CD2-CG1 3.93Å; L402-I404 HydrophobicContact CG-CD1 4.02Å; L402-I404 HydrophobicContact CG-CG1 4.01Å; L402-I404 PolarHBondContact O-N 2.79Å; L402-I404 VanDerWaalsContact O-N 3.09Å
403	S	39.3	Very low	61.8	Low	108 Å²	108	82.5 Å²	82.5	76%	0.755	49%	0.487	S	S	*	.			trans	-80.6	76.5	162.7	57.7	0	0	0	0	108.7	T405	S403-T405 PolarHBondContact O-N 2.73Å
404	I	43.5	Very low	59.4	Low	80 Å²	80	83.4 Å²	83.4	41%	0.41	49%	0.486	S	S	.	.			trans	-86.5	97	164.8	-53.9	-179.2	0	0	0	105.6	L200 L402	L200-I404 HydrophobicContact CD1-CD1 3.86Å; L402-I404 HydrophobicContact CD2-CD1 3.43Å; L402-I404 VanDerWaalsContact CD2-CD1 3.43Å; L402-I404 HydrophobicContact CD2-CG1 3.93Å; L402-I404 HydrophobicContact CG-CD1 4.02Å; L402-I404 HydrophobicContact CG-CG1 4.01Å; L402-I404 PolarHBondContact O-N 2.79Å; L402-I404 VanDerWaalsContact O-N 3.09Å
405	T	30.2	Very low	56.7	Low	165 Å²	165	85.3 Å²	85.3	100%	1.012	50%	0.495	S	S	*	.			trans	-125.4	0	171.3	50.2	0	0	0	0	110.1	H280 S403	H280-T405 PolarHBondContact CE1-O 2.92Å; H280-T405 PolarHBondContact NE2-O 3.44Å; S403-T405 PolarHBondContact O-N 2.73Å

Retrieved 405 of 405 residues in 769.7 ms (Link to these results)

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