A0A3Q0KQF5_SCHMA Loading...

Trimethylguanosine synthase

AlphaFold DB , UniProt , Accession A0A3Q0KQF5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 646 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	24.9	Very low	28.4	Very low	231 Å²	231	136.2 Å²	136.2	100%	1.138	62%	0.62	S	S	*	*				0	108.5	0	-71.7	177.7	-166.9	0	0	110.2
2	R	21.1	Very low	29.1	Very low	247 Å²	247	132.3 Å²	132.3	93%	0.932	60%	0.601	S	S	*	*			trans	-135	96.7	158.5	-79.8	-172.9	179.9	176.3	0.5	106.4	V4	R2-V4 PolarHBondContact O-N 2.84Å
3	H	23.5	Very low	30.1	Very low	170 Å²	170	131.5 Å²	131.5	79%	0.787	59%	0.592	S	S	*	*			trans	-73.1	116.9	167.2	-77.2	-72.7	0	0	0	107.9
4	V	22.7	Very low	31.1	Very low	89 Å²	89	125.1 Å²	125.1	54%	0.539	57%	0.569	S	S	.	*			trans	-110.1	92.5	162.6	-176.3	0	0	0	0	106.7	R2 F6	R2-V4 PolarHBondContact O-N 2.84Å; V4-F6 HydrophobicContact CG1-CD2 3.89Å; V4-F6 HydrophobicContact CG1-CE2 3.69Å
5	R	25.6	Very low	31.8	Very low	123 Å²	123	119.7 Å²	119.7	46%	0.464	55%	0.547	S	S	.	.			trans	-89.9	113.7	163.5	-83.6	-176	-178.3	-179.8	-1	107	L7 N628	R5-L7 HydrophobicContact CB-CD1 4.44Å; R5-L7 HydrophobicContact CB-CG 4.33Å; R5-L7 PolarHBondContact O-N 3.03Å; R5-N628 PolarHBondContact NH1-O 3.07Å; R5-N628 PolarHBondContact NH2-O 2.92Å
6	F	26.9	Very low	32.3	Very low	169 Å²	169	120.6 Å²	120.6	74%	0.741	57%	0.567	S	S	*	*			trans	-81.2	104	156.6	-81	-85.4	0	0	0	106.9	V4	V4-F6 HydrophobicContact CG1-CD2 3.89Å; V4-F6 HydrophobicContact CG1-CE2 3.69Å
7	L	30.3	Very low	33	Very low	60 Å²	60	123.9 Å²	123.9	31%	0.314	58%	0.582	S	S	.	*			trans	-104.5	102.3	165	-69.6	160.7	0	0	0	105.4	R5 L25	R5-L7 HydrophobicContact CB-CD1 4.44Å; R5-L7 HydrophobicContact CB-CG 4.33Å; R5-L7 PolarHBondContact O-N 3.03Å; L7-L25 HydrophobicContact CB-CD1 4.42Å; L7-L25 HydrophobicContact CD2-CD1 3.82Å; L7-L25 HydrophobicContact CD2-CD2 3.93Å; L7-L25 HydrophobicContact CD2-CG 4.06Å
8	S	33.1	Very low	33.6	Very low	51 Å²	51	118.1 Å²	118.1	36%	0.357	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.2	110.9	162.8	62.9	0	0	0	0	107.2	W10	S8-W10 VanDerWaalsContact CB-NE1 3.35Å; S8-W10 PolarHBondContact OG-NE1 3.12Å; S8-W10 VanDerWaalsContact OG-NE1 3.09Å
9	E	33.7	Very low	34.5	Very low	98 Å²	98	119.6 Å²	119.6	46%	0.458	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.9	128.3	166.4	-81.3	176	139.1	0	0	108.6	L25 R629	E9-L25 HydrophobicContact CG-CD1 3.45Å; E9-L25 VanDerWaalsContact CG-CD1 3.45Å; E9-R629 VanDerWaalsContact CD-CZ 3.44Å; E9-R629 IonicContact OE1-CZ 3.67Å; E9-R629 IonicContact OE1-NH1 3.09Å; E9-R629 PolarHBondContact OE1-NH1 3.06Å; E9-R629 IonicContact OE1-NH2 3.9Å; E9-R629 PolarHBondContact OE1-NH2 3.15Å; E9-R629 VanDerWaalsContact OE1-NH2 3.08Å; E9-R629 IonicContact OE2-CZ 2.67Å; E9-R629 IonicContact OE2-NH1 3.44Å; E9-R629 PolarHBondContact OE2-NH1 3.16Å; E9-R629 VanDerWaalsContact OE2-NH1 3.11Å; E9-R629 IonicContact OE2-NH2 2.84Å; E9-R629 PolarHBondContact OE2-NH2 2.84Å
10	W	35.3	Very low	34.9	Very low	137 Å²	137	116.1 Å²	116.1	52%	0.519	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.7	125.6	173	-57.3	80.3	0	0	0	108.8	S8 F12 N23 F24 F26	S8-W10 VanDerWaalsContact CB-NE1 3.35Å; S8-W10 PolarHBondContact OG-NE1 3.12Å; S8-W10 VanDerWaalsContact OG-NE1 3.09Å; W10-F12 HydrophobicContact CB-CD2 3.94Å; W10-F12 HydrophobicContact CB-CE2 3.5Å; W10-F12 HydrophobicContact CG-CE2 4.24Å; W10-N23 WeakPolarHBondContact O-CA 3.15Å; W10-F24 HydrophobicContact CB-CB 4.42Å; W10-F24 PolarHBondContact N-O 3Å; W10-F24 PolarHBondContact O-N 3.44Å; W10-F26 AromaticContact CD1-CD2 3.94Å; W10-F26 AromaticContact CD1-CE2 3.75Å
11	Q	35.4	Very low	35.7	Very low	123 Å²	123	112.2 Å²	112.2	58%	0.575	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	121.3	170	-86.8	176.7	-8.8	0	0	109.2	V22 N23	Q11-V22 WeakPolarHBondContact CA-O 3.39Å; Q11-N23 WeakPolarHBondContact CG-OD1 3.44Å; Q11-N23 PolarHBondContact NE2-OD1 2.67Å
12	F	36.6	Very low	36.6	Very low	89 Å²	89	101.2 Å²	101.2	39%	0.39	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	136.8	173.2	-74.5	-98.6	0	0	0	109.8	W10 V22 F24 L586	W10-F12 HydrophobicContact CB-CD2 3.94Å; W10-F12 HydrophobicContact CB-CE2 3.5Å; W10-F12 HydrophobicContact CG-CE2 4.24Å; F12-V22 PolarHBondContact N-O 3.2Å; F12-V22 PolarHBondContact O-N 3.37Å; F12-V22 VanDerWaalsContact O-N 3.08Å; F12-F24 HydrophobicContact CB-CE2 4.25Å; F12-F24 AromaticContact CD2-CD2 3.5Å; F12-F24 HydrophobicContact CD2-CD2 3.5Å; F12-F24 VanDerWaalsContact CD2-CD2 3.5Å; F12-F24 AromaticContact CD2-CE2 3.82Å; F12-F24 HydrophobicContact CD2-CE2 3.82Å; F12-F24 AromaticContact CE2-CD2 3.94Å; F12-F24 HydrophobicContact CE2-CD2 3.94Å; F12-F24 HydrophobicContact CE2-CE2 4.42Å; F12-F24 HydrophobicContact CG-CD2 4.32Å; F12-F24 HydrophobicContact CG-CE2 4.22Å; F12-L586 HydrophobicContact CD1-CD2 4.42Å
13	Y	42.3	Very low	38	Very low	122 Å²	122	90.9 Å²	90.9	48%	0.478	45%	0.446	S	S	.	.			trans	-112.7	95.9	170.2	-65	-86	0	0	0	106.7	D15 P21	Y13-D15 PolarHBondContact O-N 3.19Å; Y13-P21 HydrophobicContact CE1-CB 3.93Å
14	P	43.9	Very low	38.9	Very low	43 Å²	43	83.1 Å²	83.1	28%	0.279	41%	0.41	S	S	.	.			trans	-74.6	-7.1	-164	26.7	-33.8	0	0	0	114.9	I590	P14-I590 HydrophobicContact CB-CD1 3.63Å; P14-I590 HydrophobicContact CB-CG1 3.37Å; P14-I590 HydrophobicContact CG-CD1 4.37Å; P14-I590 HydrophobicContact CG-CG1 3.56Å
15	D	41.3	Very low	39.9	Very low	44 Å²	44	79.1 Å²	79.1	24%	0.235	39%	0.386	C	S	.	.	B	Isolated β-bridge	trans	-151.4	134.9	174.9	-167.6	-37	0	0	0	108.8	Y13 E17 V18 R594	Y13-D15 PolarHBondContact O-N 3.19Å; D15-E17 PolarHBondContact O-N 3.17Å; D15-E17 VanDerWaalsContact O-N 3.12Å; D15-E17 PolarHBondContact OD1-N 2.64Å; D15-V18 HydrophobicContact CB-CB 4Å; D15-V18 HydrophobicContact CB-CG2 3.83Å; D15-V18 CarbonylContact O-C 3.58Å; D15-V18 PolarHBondContact O-N 3.2Å; D15-R594 IonicContact OD2-CZ 3.39Å; D15-R594 IonicContact OD2-NH2 3.15Å; D15-R594 PolarHBondContact OD2-NH2 2.95Å
16	P	39.5	Very low	40.6	Very low	134 Å²	134	75.6 Å²	75.6	87%	0.87	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-21.4	174	20.6	-32.2	0	0	0	114.1
17	E	45.6	Very low	41.5	Very low	176 Å²	176	68.6 Å²	68.6	82%	0.822	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-13.2	173.7	-62.7	-172.4	173.8	0	0	113.5	D15	D15-E17 PolarHBondContact O-N 3.17Å; D15-E17 VanDerWaalsContact O-N 3.12Å; D15-E17 PolarHBondContact OD1-N 2.64Å
18	V	42.9	Very low	41.9	Very low	20 Å²	20	69.3 Å²	69.3	12%	0.121	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-108	92.5	-179	-178.1	0	0	0	0	109.3	D15 I20 I593	D15-V18 HydrophobicContact CB-CB 4Å; D15-V18 HydrophobicContact CB-CG2 3.83Å; D15-V18 CarbonylContact O-C 3.58Å; D15-V18 PolarHBondContact O-N 3.2Å; V18-I20 HydrophobicContact CG1-CB 4Å; V18-I20 HydrophobicContact CG1-CD1 4.42Å; V18-I20 HydrophobicContact CG1-CG1 4.37Å; V18-I20 PolarHBondContact O-N 2.91Å; V18-I593 HydrophobicContact CG1-CG2 3.98Å
19	N	50.7	Low	42.1	Very low	147 Å²	147	68.7 Å²	68.7	79%	0.786	34%	0.342	S	S	*	.			trans	-80.7	32.6	-179.2	-137.7	-6.5	0	0	0	113
20	I	43	Very low	42	Very low	48 Å²	48	68.4 Å²	68.4	25%	0.246	34%	0.339	C	S	.	.			trans	-109.1	118.1	-175.3	-65.5	170.5	0	0	0	108.6	V18 I593 D599	V18-I20 HydrophobicContact CG1-CB 4Å; V18-I20 HydrophobicContact CG1-CD1 4.42Å; V18-I20 HydrophobicContact CG1-CG1 4.37Å; V18-I20 PolarHBondContact O-N 2.91Å; I20-I593 HydrophobicContact CB-CD1 4.33Å; I20-I593 HydrophobicContact CB-CG2 3.84Å; I20-I593 HydrophobicContact CD1-CG2 3.35Å; I20-I593 HydrophobicContact CG1-CG2 4.16Å; I20-I593 HydrophobicContact CG2-CD1 3.74Å; I20-I593 HydrophobicContact CG2-CG1 3.98Å; I20-I593 HydrophobicContact CG2-CG2 3.77Å; I20-D599 VanDerWaalsContact CG2-O 3.25Å; I20-D599 WeakPolarHBondContact CG2-O 3.4Å
21	P	51.5	Low	41.7	Very low	35 Å²	35	64.3 Å²	64.3	23%	0.227	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-73.4	130.7	-175.7	28.2	-33	0	0	0	111.6	Y13	Y13-P21 HydrophobicContact CE1-CB 3.93Å
22	V	44.7	Very low	41.4	Very low	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	121	163.6	-178	0	0	0	0	108.3	Q11 F12 F24 I593 I603	Q11-V22 WeakPolarHBondContact CA-O 3.39Å; F12-V22 PolarHBondContact N-O 3.2Å; F12-V22 PolarHBondContact O-N 3.37Å; F12-V22 VanDerWaalsContact O-N 3.08Å; V22-F24 HydrophobicContact CB-CE2 4.41Å; V22-F24 HydrophobicContact CG1-CD2 4.11Å; V22-F24 HydrophobicContact CG1-CE1 4.15Å; V22-F24 HydrophobicContact CG1-CE2 3.63Å; V22-F24 HydrophobicContact CG1-CZ 3.68Å; V22-I593 HydrophobicContact CG2-CD1 3.35Å; V22-I603 HydrophobicContact CG1-CD1 4.36Å
23	N	48.5	Very low	41	Very low	30 Å²	30	59.6 Å²	59.6	16%	0.16	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	117.7	173.7	-61.6	-59	0	0	0	109.6	W10 Q11 N602 I603	W10-N23 WeakPolarHBondContact O-CA 3.15Å; Q11-N23 WeakPolarHBondContact CG-OD1 3.44Å; Q11-N23 PolarHBondContact NE2-OD1 2.67Å; N23-N602 WeakPolarHBondContact CB-OD1 3.36Å; N23-N602 PolarHBondContact ND2-OD1 2.98Å; N23-I603 PolarHBondContact O-N 3.31Å; N23-I603 VanDerWaalsContact O-O 3.12Å
24	F	43.7	Very low	40.5	Very low	8 Å²	8	61.4 Å²	61.4	4%	0.035	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	122.5	168	-65.5	-72.5	0	0	0	110.3	W10 F12 V22 F26 F585 L586 I603 F605	W10-F24 HydrophobicContact CB-CB 4.42Å; W10-F24 PolarHBondContact N-O 3Å; W10-F24 PolarHBondContact O-N 3.44Å; F12-F24 HydrophobicContact CB-CE2 4.25Å; F12-F24 AromaticContact CD2-CD2 3.5Å; F12-F24 HydrophobicContact CD2-CD2 3.5Å; F12-F24 VanDerWaalsContact CD2-CD2 3.5Å; F12-F24 AromaticContact CD2-CE2 3.82Å; F12-F24 HydrophobicContact CD2-CE2 3.82Å; F12-F24 AromaticContact CE2-CD2 3.94Å; F12-F24 HydrophobicContact CE2-CD2 3.94Å; F12-F24 HydrophobicContact CE2-CE2 4.42Å; F12-F24 HydrophobicContact CG-CD2 4.32Å; F12-F24 HydrophobicContact CG-CE2 4.22Å; V22-F24 HydrophobicContact CB-CE2 4.41Å; V22-F24 HydrophobicContact CG1-CD2 4.11Å; V22-F24 HydrophobicContact CG1-CE1 4.15Å; V22-F24 HydrophobicContact CG1-CE2 3.63Å; V22-F24 HydrophobicContact CG1-CZ 3.68Å; F24-F26 HydrophobicContact CB-CE2 4.02Å; F24-F585 HydrophobicContact CE1-CB 4.37Å; F24-L586 HydrophobicContact CE2-CD2 3.79Å; F24-L586 HydrophobicContact CZ-CD2 3.96Å; F24-I603 WeakPolarHBondContact CA-O 3.49Å; F24-I603 HydrophobicContact CD1-CB 3.9Å; F24-I603 HydrophobicContact CD1-CG2 4.14Å; F24-I603 HydrophobicContact CE1-CB 4.06Å; F24-I603 HydrophobicContact CE1-CD1 3.91Å; F24-I603 HydrophobicContact CE1-CG1 4.49Å; F24-I603 HydrophobicContact CE1-CG2 4.2Å; F24-F605 HydrophobicContact CB-CE2 4.48Å; F24-F605 HydrophobicContact CD1-CD2 4.32Å; F24-F605 AromaticContact CD1-CE2 3.33Å; F24-F605 HydrophobicContact CD1-CE2 3.33Å; F24-F605 AromaticContact CD1-CZ 3.95Å; F24-F605 HydrophobicContact CD1-CZ 3.95Å; F24-F605 AromaticContact CE1-CE2 3.84Å; F24-F605 HydrophobicContact CE1-CE2 3.84Å; F24-F605 AromaticContact CE1-CZ 3.98Å; F24-F605 HydrophobicContact CE1-CZ 3.98Å; F24-F605 HydrophobicContact CG-CE2 4.23Å
25	L	43.7	Very low	40.1	Very low	4 Å²	4	64.6 Å²	64.6	2%	0.021	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	132.8	172.9	-166	80.6	0	0	0	109.8	L7 E9 I603 E604 F605 N626	L7-L25 HydrophobicContact CB-CD1 4.42Å; L7-L25 HydrophobicContact CD2-CD1 3.82Å; L7-L25 HydrophobicContact CD2-CD2 3.93Å; L7-L25 HydrophobicContact CD2-CG 4.06Å; E9-L25 HydrophobicContact CG-CD1 3.45Å; E9-L25 VanDerWaalsContact CG-CD1 3.45Å; L25-I603 PolarHBondContact N-O 2.99Å; L25-E604 HydrophobicContact CB-CB 4.01Å; L25-E604 HydrophobicContact CB-CG 3.97Å; L25-E604 HydrophobicContact CD2-CB 4.38Å; L25-E604 HydrophobicContact CD2-CG 3.8Å; L25-E604 HydrophobicContact CG-CG 4.26Å; L25-E604 CarbonylContact O-C 3.49Å; L25-E604 VanDerWaalsContact O-CA 3.25Å; L25-E604 WeakPolarHBondContact O-CA 3.31Å; L25-F605 PolarHBondContact O-N 3.24Å; L25-N626 WeakPolarHBondContact CD2-OD1 3.47Å
26	F	40.1	Very low	39.6	Very low	49 Å²	49	70.4 Å²	70.4	22%	0.215	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	117.4	172.9	-63.6	-91.9	0	0	0	108.8	W10 F24 F38 I582 F605	W10-F26 AromaticContact CD1-CD2 3.94Å; W10-F26 AromaticContact CD1-CE2 3.75Å; F24-F26 HydrophobicContact CB-CE2 4.02Å; F26-F38 HydrophobicContact CD1-CE2 4.08Å; F26-F38 HydrophobicContact CE1-CD2 4.27Å; F26-F38 HydrophobicContact CE1-CE2 4.06Å; F26-I582 HydrophobicContact CE1-CD1 3.78Å; F26-I582 HydrophobicContact CE1-CG2 4.18Å; F26-I582 HydrophobicContact CZ-CG2 4.26Å; F26-F605 HydrophobicContact CD1-CB 3.96Å; F26-F605 HydrophobicContact CD1-CD2 4.02Å; F26-F605 HydrophobicContact CD1-CG 4.37Å; F26-F605 HydrophobicContact CE1-CB 4.17Å; F26-F605 AromaticContact CE1-CD2 3.55Å; F26-F605 HydrophobicContact CE1-CD2 3.55Å; F26-F605 HydrophobicContact CE1-CE2 4.24Å; F26-F605 HydrophobicContact CE1-CG 4.1Å; F26-F605 AromaticContact CZ-CD2 3.84Å; F26-F605 HydrophobicContact CZ-CD2 3.84Å; F26-F605 HydrophobicContact CZ-CE2 4.18Å
27	T	45.8	Very low	39.2	Very low	22 Å²	22	66.9 Å²	66.9	14%	0.135	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	127.7	176.2	-56.3	0	0	0	0	109.8	E604 F605	T27-E604 WeakPolarHBondContact CB-OE1 3.38Å; T27-E604 PolarHBondContact OG1-OE1 3.49Å; T27-F605 PolarHBondContact N-O 3.34Å
28	R	38.8	Very low	38.7	Very low	76 Å²	76	63.2 Å²	63.2	29%	0.287	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	118.7	170.9	-165.2	177	-171.8	-159.5	-2	109.6	F30 G32 D33	R28-F30 HydrophobicContact CB-CD2 4.39Å; R28-F30 HydrophobicContact CG-CD2 4.35Å; R28-F30 PolarHBondContact O-N 3.49Å; R28-F30 VanDerWaalsContact O-N 3.15Å; R28-G32 PolarHBondContact NH2-O 3.03Å; R28-D33 IonicContact NH1-OD1 3.18Å; R28-D33 PolarHBondContact NH1-OD1 3.39Å
29	A	37.8	Very low	38.1	Very low	38 Å²	38	69 Å²	69	31%	0.314	34%	0.343	S	S	.	.			trans	-74.4	98.7	163.6	0	0	0	0	0	107.8	M31	A29-M31 PolarHBondContact O-N 3.5Å
30	F	30.2	Very low	37	Very low	92 Å²	92	65.2 Å²	65.2	40%	0.404	33%	0.325	S	S	.	.			trans	-67.7	121.7	-172.4	-110.7	-89.3	0	0	0	112.2	R28 D33	R28-F30 HydrophobicContact CB-CD2 4.39Å; R28-F30 HydrophobicContact CG-CD2 4.35Å; R28-F30 PolarHBondContact O-N 3.49Å; R28-F30 VanDerWaalsContact O-N 3.15Å; F30-D33 VanDerWaalsContact CE1-OD1 3.27Å; F30-D33 WeakPolarHBondContact CE1-OD1 3.4Å; F30-D33 VanDerWaalsContact CZ-OD1 3.27Å; F30-D33 WeakPolarHBondContact CZ-OD1 3.25Å
31	M	28.8	Very low	36.4	Very low	51 Å²	51	66.2 Å²	66.2	25%	0.251	34%	0.336	S	S	.	.	S	Bend		-129.1	114.1	121.9	-54.1	-175	101.8	0	0	106.3	A29 N353 A356 F612	A29-M31 PolarHBondContact O-N 3.5Å; M31-N353 HydrophobicContact CE-CB 3.25Å; M31-N353 WeakPolarHBondContact CE-ND2 3.42Å; M31-A356 HydrophobicContact CE-CB 3.89Å; M31-F612 HydrophobicContact CB-CD1 3.71Å; M31-F612 HydrophobicContact CB-CE1 3.29Å; M31-F612 HydrophobicContact CB-CE2 4.25Å; M31-F612 HydrophobicContact CB-CG 4.34Å; M31-F612 HydrophobicContact CB-CZ 3.58Å; M31-F612 WeakPolarHBondContact O-CD1 3.33Å; M31-F612 VanDerWaalsContact O-CE1 3.28Å; M31-F612 WeakPolarHBondContact O-CE1 3.42Å; M31-F612 HydrophobicContact SD-CE2 4.49Å; M31-F612 HydrophobicContact SD-CZ 4.5Å
32	G	29.2	Very low	35.5	Very low	22 Å²	22	67.7 Å²	67.7	23%	0.227	35%	0.347	C	S	.	.	S	Bend	trans	67.1	135.8	162.7	0	0	0	0	0	121.7	R28 R34	R28-G32 PolarHBondContact NH2-O 3.03Å; G32-R34 PolarHBondContact O-N 3.42Å
33	D	28.8	Very low	35.1	Very low	91 Å²	91	72.8 Å²	72.8	49%	0.487	37%	0.371	S	S	.	.	S	Bend	trans	-66	115.3	179.8	-62.2	-42.9	0	0	0	114.2	R28 F30 Y134 H138	R28-D33 IonicContact NH1-OD1 3.18Å; R28-D33 PolarHBondContact NH1-OD1 3.39Å; F30-D33 VanDerWaalsContact CE1-OD1 3.27Å; F30-D33 WeakPolarHBondContact CE1-OD1 3.4Å; F30-D33 VanDerWaalsContact CZ-OD1 3.27Å; F30-D33 WeakPolarHBondContact CZ-OD1 3.25Å; D33-Y134 PolarHBondContact O-OH 2.86Å; D33-Y134 VanDerWaalsContact O-OH 3.12Å; D33-H138 PolarHBondContact O-CE1 2.94Å; D33-H138 PolarHBondContact O-NE2 3.13Å
34	R	32	Very low	34.4	Very low	160 Å²	160	75.4 Å²	75.4	60%	0.604	39%	0.385	S	S	*	.				-173	118.5	102.3	-88.9	178.2	-89.3	-154.8	-5.7	109.1	G32	G32-R34 PolarHBondContact O-N 3.42Å
35	F	35.5	Very low	34.2	Very low	109 Å²	109	78.6 Å²	78.6	48%	0.478	41%	0.408	S	S	.	.			trans	-126	122.8	163.7	-175	-102.8	0	0	0	108.1	F38 L607	F35-F38 HydrophobicContact CE1-CD1 4.36Å; F35-F38 HydrophobicContact CE1-CD2 4.29Å; F35-F38 AromaticContact CE1-CE1 3.97Å; F35-F38 HydrophobicContact CE1-CE1 3.97Å; F35-F38 AromaticContact CE1-CE2 3.9Å; F35-F38 HydrophobicContact CE1-CE2 3.9Å; F35-F38 HydrophobicContact CE1-CG 4.5Å; F35-F38 AromaticContact CE1-CZ 3.72Å; F35-F38 HydrophobicContact CE1-CZ 3.72Å; F35-F38 HydrophobicContact CZ-CD1 4.28Å; F35-F38 AromaticContact CZ-CE1 3.8Å; F35-F38 HydrophobicContact CZ-CE1 3.8Å; F35-F38 AromaticContact CZ-CZ 3.94Å; F35-F38 HydrophobicContact CZ-CZ 3.94Å; F35-L607 HydrophobicContact CD2-CD2 4.28Å; F35-L607 HydrophobicContact CE2-CD2 4.31Å
36	K	31	Very low	33.9	Very low	166 Å²	166	83.5 Å²	83.5	72%	0.722	43%	0.433	S	S	*	.			trans	-86.4	121.1	170.8	-63.6	-176.1	176.2	-170.7	0	105.7
37	G	31.9	Very low	33.7	Very low	61 Å²	61	89.4 Å²	89.4	63%	0.629	46%	0.459	S	S	*	.			trans	-58.3	-173.2	-162.8	0	0	0	0	0	118.3
38	F	33.9	Very low	33.3	Very low	98 Å²	98	94.2 Å²	94.2	43%	0.43	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-82.1	145.3	-173.8	-57.4	-78.9	0	0	0	113	F26 F35 I582	F26-F38 HydrophobicContact CD1-CE2 4.08Å; F26-F38 HydrophobicContact CE1-CD2 4.27Å; F26-F38 HydrophobicContact CE1-CE2 4.06Å; F35-F38 HydrophobicContact CE1-CD1 4.36Å; F35-F38 HydrophobicContact CE1-CD2 4.29Å; F35-F38 AromaticContact CE1-CE1 3.97Å; F35-F38 HydrophobicContact CE1-CE1 3.97Å; F35-F38 AromaticContact CE1-CE2 3.9Å; F35-F38 HydrophobicContact CE1-CE2 3.9Å; F35-F38 HydrophobicContact CE1-CG 4.5Å; F35-F38 AromaticContact CE1-CZ 3.72Å; F35-F38 HydrophobicContact CE1-CZ 3.72Å; F35-F38 HydrophobicContact CZ-CD1 4.28Å; F35-F38 AromaticContact CZ-CE1 3.8Å; F35-F38 HydrophobicContact CZ-CE1 3.8Å; F35-F38 AromaticContact CZ-CZ 3.94Å; F35-F38 HydrophobicContact CZ-CZ 3.94Å; F38-I582 HydrophobicContact CD1-CD1 3.64Å; F38-I582 HydrophobicContact CD1-CG1 4.1Å; F38-I582 HydrophobicContact CD2-CD1 3.83Å; F38-I582 HydrophobicContact CE1-CD1 3.36Å; F38-I582 HydrophobicContact CE1-CG1 4.11Å; F38-I582 HydrophobicContact CE2-CD1 3.57Å; F38-I582 HydrophobicContact CG-CD1 3.88Å; F38-I582 HydrophobicContact CZ-CD1 3.33Å
39	R	29.8	Very low	33.1	Very low	142 Å²	142	98.6 Å²	98.6	54%	0.536	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-94.5	153.7	171.1	-67.4	-174.5	-178.9	156.4	5.9	110.9	E541	R39-E541 IonicContact CZ-OE1 3.81Å; R39-E541 IonicContact NH1-OE1 2.64Å; R39-E541 PolarHBondContact NH1-OE1 3.05Å; R39-E541 IonicContact NH1-OE2 3.19Å
40	T	29.3	Very low	33	Very low	67 Å²	67	103.3 Å²	103.3	41%	0.411	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-99.3	158.3	174.7	60.1	0	0	0	0	112.1	S42 E43	T40-S42 PolarHBondContact O-N 3.08Å; T40-S42 PolarHBondContact OG1-OG 2.96Å; T40-E43 PolarHBondContact O-N 3.36Å
41	S	30.1	Very low	33.1	Very low	70 Å²	70	108.7 Å²	108.7	49%	0.49	56%	0.555	S	S	.	*	H	α-helix	trans	-62.1	-22.6	179.6	54.7	0	0	0	0	114.4	E43 L44 S45	S41-E43 VanDerWaalsContact C-N 3.3Å; S41-E43 PolarHBondContact O-N 2.99Å; S41-L44 PolarHBondContact O-N 3.22Å; S41-S45 PolarHBondContact O-N 3Å; S41-S45 PolarHBondContact O-OG 3.33Å
42	S	32.3	Very low	33.2	Very low	66 Å²	66	109 Å²	109	46%	0.462	57%	0.572	S	S	.	*	H	α-helix	trans	-69.2	-25.7	173.3	56.5	0	0	0	0	113.1	T40 S45 I46	T40-S42 PolarHBondContact O-N 3.08Å; T40-S42 PolarHBondContact OG1-OG 2.96Å; S42-S45 WeakPolarHBondContact CA-OG 3.46Å; S42-S45 PolarHBondContact O-OG 3.2Å; S42-I46 WeakPolarHBondContact O-CD1 3.22Å; S42-I46 WeakPolarHBondContact O-CG1 3.38Å
43	E	35.5	Very low	33.1	Very low	106 Å²	106	116.3 Å²	116.3	50%	0.495	61%	0.605	S	S	.	*	H	α-helix	trans	-83.6	-23.8	178.7	-65.9	179.1	156.6	0	0	112.4	T40 S41	T40-E43 PolarHBondContact O-N 3.36Å; S41-E43 VanDerWaalsContact C-N 3.3Å; S41-E43 PolarHBondContact O-N 2.99Å
44	L	35.3	Very low	33.2	Very low	86 Å²	86	116.3 Å²	116.3	45%	0.45	62%	0.618	S	S	.	*	H	α-helix	trans	-79	-22.5	174.7	-73.2	165.4	0	0	0	112.8	S41	S41-L44 PolarHBondContact O-N 3.22Å
45	S	37.5	Very low	33.2	Very low	74 Å²	74	115.8 Å²	115.8	52%	0.517	63%	0.632	S	S	.	*	H	α-helix	trans	-88.1	-18.1	-179	36.8	0	0	0	0	114	S41 S42	S41-S45 PolarHBondContact O-N 3Å; S41-S45 PolarHBondContact O-OG 3.33Å; S42-S45 WeakPolarHBondContact CA-OG 3.46Å; S42-S45 PolarHBondContact O-OG 3.2Å
46	I	38.1	Very low	32.9	Very low	108 Å²	108	115.1 Å²	115.1	55%	0.554	64%	0.641	S	S	*	*	H	α-helix	trans	-79.2	-25.2	-179.6	-68.1	168.8	0	0	0	112.3	S42 V48 Q49	S42-I46 WeakPolarHBondContact O-CD1 3.22Å; S42-I46 WeakPolarHBondContact O-CG1 3.38Å; I46-V48 PolarHBondContact O-N 3.15Å; I46-Q49 PolarHBondContact O-N 3.06Å
47	K	36.7	Very low	32.9	Very low	173 Å²	173	111.8 Å²	111.8	75%	0.752	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-2.2	178.6	-81.6	-171	173.7	-174.3	0	115.7
48	V	36.5	Very low	33	Very low	122 Å²	122	115.3 Å²	115.3	74%	0.739	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	-8.2	176.5	-178.2	0	0	0	0	112.3	I46	I46-V48 PolarHBondContact O-N 3.15Å
49	Q	36.1	Very low	33	Very low	169 Å²	169	118.3 Å²	118.3	79%	0.79	66%	0.658	S	S	*	*	S	Bend	trans	-101.3	-4.6	-179.7	-78.4	-175	-12.3	0	0	115.8	I46	I46-Q49 PolarHBondContact O-N 3.06Å
50	D	34.1	Very low	33.1	Very low	136 Å²	136	117.3 Å²	117.3	73%	0.727	67%	0.668	S	S	*	*	S	Bend	trans	-93.8	8	-177.6	-75.6	-29.4	0	0	0	115.4
51	F	33.5	Very low	33.2	Very low	205 Å²	205	118.1 Å²	118.1	90%	0.899	68%	0.676	S	S	*	*	S	Bend	trans	-103.5	69.2	166.7	-78.8	-83.7	0	0	0	110.5
52	G	30.5	Very low	33.2	Very low	59 Å²	59	123 Å²	123	61%	0.608	69%	0.689	S	S	*	*			trans	-165.8	41.7	-174.7	0	0	0	0	0	115.6
53	N	27.2	Very low	33.1	Very low	174 Å²	174	128.9 Å²	128.9	93%	0.93	71%	0.706	S	S	*	*			trans	-125.7	81.7	167.9	-90.4	-28.1	0	0	0	110.6
54	A	29.9	Very low	33	Very low	92 Å²	92	128.9 Å²	128.9	76%	0.76	72%	0.716	S	S	*	*			trans	-157.6	135.9	152.2	0	0	0	0	0	109.6
55	V	32.6	Very low	32.8	Very low	148 Å²	148	132.6 Å²	132.6	90%	0.897	73%	0.731	S	S	*	*			trans	98.9	124.8	165.6	-163.9	0	0	0	0	116.6
56	S	29.1	Very low	32.4	Very low	96 Å²	96	135.4 Å²	135.4	67%	0.671	74%	0.74	S	S	*	*			trans	-82.2	161.5	-165	55.7	0	0	0	0	116.5
57	S	31.9	Very low	32.1	Very low	95 Å²	95	140 Å²	140	66%	0.664	76%	0.756	S	S	*	*			trans	103.2	120.9	131.4	79.4	0	0	0	0	119.5
58	N	32.9	Very low	31.7	Very low	136 Å²	136	141 Å²	141	73%	0.727	76%	0.76	S	S	*	*				99.1	117.6	129.4	-71.7	-10	0	0	0	122.2
59	H	34.8	Very low	31.4	Very low	160 Å²	160	143.6 Å²	143.6	74%	0.741	77%	0.769	S	S	*	*			trans	85.3	110.3	137.3	-73.9	-54.9	0	0	0	120
60	V	32.1	Very low	31	Very low	122 Å²	122	142.6 Å²	142.6	74%	0.739	77%	0.769	S	S	*	*				92.5	143.8	96.2	164.5	0	0	0	0	111.9
61	S	30.5	Very low	30.9	Very low	84 Å²	84	147.9 Å²	147.9	59%	0.587	78%	0.779	S	S	*	*			cis	-172.4	146.5	-27.8	69.2	0	0	0	0	107.3
62	K	30.8	Very low	30.6	Very low	173 Å²	173	147.1 Å²	147.1	75%	0.752	78%	0.778	S	S	*	*			trans	54.9	123.9	144.7	-60.5	172.4	173.3	-180	0	121.7
63	F	29.5	Very low	30.7	Very low	188 Å²	188	150 Å²	150	83%	0.825	79%	0.789	S	S	*	*				166	142.8	90.5	-106.4	-73.8	0	0	0	113
64	P	33.8	Very low	30.7	Very low	107 Å²	107	150.4 Å²	150.4	70%	0.695	79%	0.785	S	S	*	*			trans	-116.3	167.4	173	36	-22.1	0	0	0	114.6
65	Q	30.6	Very low	30.7	Very low	164 Å²	164	157.3 Å²	157.3	77%	0.766	79%	0.792	S	S	*	*			trans	140.8	142.3	133.9	-78.9	-165.8	-9.5	0	0	117.8
66	N	29.5	Very low	30.5	Very low	132 Å²	132	156.8 Å²	156.8	71%	0.706	78%	0.784	S	S	*	*			trans	89.6	113.7	146.9	-65.7	-28.9	0	0	0	120.6
67	K	32.8	Very low	30.3	Very low	206 Å²	206	161.6 Å²	161.6	90%	0.896	79%	0.793	S	S	*	*				179.5	135	92.3	-94.1	177.7	-178.7	173	0	112.7
68	K	27	Very low	30.1	Very low	193 Å²	193	162.7 Å²	162.7	84%	0.839	80%	0.796	S	S	*	*			trans	-71.6	148.6	172.6	-74.6	176.3	171.2	178.2	0	112.4
69	L	31.1	Very low	29.7	Very low	177 Å²	177	165.2 Å²	165.2	93%	0.927	80%	0.803	S	S	*	*			trans	-145.8	119.8	144.3	-141.7	86.4	0	0	0	110.1
70	N	26.9	Very low	29.4	Very low	148 Å²	148	163.8 Å²	163.8	79%	0.791	81%	0.805	S	S	*	*			trans	-79.5	146.7	175.5	-85.8	-11.6	0	0	0	111.4
71	R	32.2	Very low	29.1	Very low	246 Å²	246	165.1 Å²	165.1	93%	0.928	81%	0.809	S	S	*	*			trans	-157.8	142.7	136.3	-106.9	172.7	-169.8	-169.5	2.6	111.3
72	Q	27	Very low	28.9	Very low	189 Å²	189	166.5 Å²	166.5	88%	0.883	82%	0.815	S	S	*	*			trans	-69.4	147.8	-163.2	-67.9	147.7	-59.5	0	0	115.2
73	S	32	Very low	28.7	Very low	121 Å²	121	162.5 Å²	162.5	85%	0.846	82%	0.815	S	S	*	*				-161.1	134.8	128.2	57.5	0	0	0	0	110.9
74	E	26.9	Very low	28.5	Very low	182 Å²	182	160.4 Å²	160.4	85%	0.85	81%	0.811	S	S	*	*			trans	-67.4	148.5	-171	-59.4	155.2	148.7	0	0	114.3
75	R	29.9	Very low	27.9	Very low	236 Å²	236	160.9 Å²	160.9	89%	0.891	81%	0.811	S	S	*	*				176.1	105.7	126.4	-94	172	-147.8	-172.6	6.9	112.1
76	N	29.8	Very low	27.5	Very low	137 Å²	137	157 Å²	157	73%	0.733	80%	0.803	S	S	*	*			trans	36.3	123.9	132.3	-60.9	-17.1	0	0	0	122.1
77	F	25.2	Very low	27.2	Very low	198 Å²	198	159.7 Å²	159.7	87%	0.868	81%	0.808	S	S	*	*			trans	54.8	128.3	132.5	-80.2	-91.3	0	0	0	117.6
78	V	27	Very low	26.8	Very low	118 Å²	118	157.3 Å²	157.3	72%	0.715	80%	0.8	S	S	*	*			cis	-156.8	143.5	42.9	172.1	0	0	0	0	108.5	T80	V78-T80 HydrophobicContact CG1-CG2 4.42Å
79	E	24	Very low	26.6	Very low	189 Å²	189	155.7 Å²	155.7	88%	0.883	80%	0.799	S	S	*	*			trans	-77.8	119.9	172.6	-160.3	170.9	-148.6	0	0	109.8
80	T	28.4	Very low	26.2	Very low	129 Å²	129	151.7 Å²	151.7	79%	0.791	78%	0.781	S	S	*	*			trans	-139.4	122.5	162.8	48.9	0	0	0	0	110.2	V78	V78-T80 HydrophobicContact CG1-CG2 4.42Å
81	D	26.3	Very low	26	Very low	151 Å²	151	154.1 Å²	154.1	81%	0.807	79%	0.785	S	S	*	*			trans	-33.7	136.6	175.3	-97.9	-43.2	0	0	0	115.6	A83	D81-A83 VanDerWaalsContact C-N 3.32Å; D81-A83 PolarHBondContact O-N 3.41Å
82	P	27.3	Very low	25.5	Very low	112 Å²	112	146.7 Å²	146.7	73%	0.727	77%	0.771	S	S	*	*			trans	-76.9	90.4	160.2	32.4	-26.4	0	0	0	107.7	I84	P82-I84 VanDerWaalsContact C-N 3.26Å; P82-I84 PolarHBondContact O-N 3.47Å
83	A	25.8	Very low	25.4	Very low	90 Å²	90	145 Å²	145	74%	0.744	77%	0.768	S	S	*	*			trans	-66.5	90.9	167.3	0	0	0	0	0	109.4	D81 V85	D81-A83 VanDerWaalsContact C-N 3.32Å; D81-A83 PolarHBondContact O-N 3.41Å; A83-V85 PolarHBondContact O-N 3.28Å
84	I	24.1	Very low	24.9	Very low	144 Å²	144	143.9 Å²	143.9	74%	0.738	76%	0.76	S	S	*	*			trans	-53.6	112.7	158.8	-64.8	166.9	0	0	0	107.7	P82	P82-I84 VanDerWaalsContact C-N 3.26Å; P82-I84 PolarHBondContact O-N 3.47Å
85	V	22.6	Very low	24.9	Very low	116 Å²	116	144.6 Å²	144.6	70%	0.703	76%	0.763	S	S	*	*			trans	-133.6	81.1	156.9	-172.7	0	0	0	0	109.2	A83 K87	A83-V85 PolarHBondContact O-N 3.28Å; V85-K87 HydrophobicContact CG1-CD 4.35Å; V85-K87 HydrophobicContact CG1-CG 4.2Å
86	S	21.9	Very low	24.6	Very low	84 Å²	84	141.2 Å²	141.2	59%	0.587	76%	0.758	S	S	*	*			trans	-73.8	120	151.5	49	0	0	0	0	109.8
87	K	23.7	Very low	24.5	Very low	188 Å²	188	142.4 Å²	142.4	82%	0.817	76%	0.764	S	S	*	*			trans	-150.6	89.1	163.9	-74.7	-172.8	176.6	174.4	0	108.2	V85	V85-K87 HydrophobicContact CG1-CD 4.35Å; V85-K87 HydrophobicContact CG1-CG 4.2Å
88	H	23.6	Very low	24.5	Very low	156 Å²	156	139.6 Å²	139.6	72%	0.722	76%	0.758	S	S	*	*				47.4	114	85.7	-73.2	-72	0	0	0	116
89	I	23.4	Very low	24.6	Very low	159 Å²	159	141.3 Å²	141.3	82%	0.815	76%	0.763	S	S	*	*			trans	-148.6	124	131.4	-57.1	-170.6	0	0	0	110.1	F91	I89-F91 HydrophobicContact CG2-CD2 4.43Å; I89-F91 HydrophobicContact CG2-CE2 3.96Å
90	V	22.3	Very low	24.8	Very low	93 Å²	93	141 Å²	141	56%	0.564	76%	0.759	S	S	*	*			trans	-93.8	156.8	176.9	169.3	0	0	0	0	109.6
91	F	22.9	Very low	24.6	Very low	199 Å²	199	143.5 Å²	143.5	87%	0.873	76%	0.762	S	S	*	*			trans	-162.3	112.5	133.9	-74.2	-59	0	0	0	112	I89	I89-F91 HydrophobicContact CG2-CD2 4.43Å; I89-F91 HydrophobicContact CG2-CE2 3.96Å
92	S	22	Very low	24.7	Very low	90 Å²	90	142.4 Å²	142.4	63%	0.629	76%	0.763	S	S	*	*			trans	-93.6	146.9	162.2	47.9	0	0	0	0	110
93	D	23.8	Very low	24.5	Very low	153 Å²	153	143.9 Å²	143.9	82%	0.818	76%	0.76	S	S	*	*			trans	-125.7	112.8	146.2	-79.5	-33.8	0	0	0	107.3
94	S	23.1	Very low	24.6	Very low	97 Å²	97	147.3 Å²	147.3	68%	0.678	76%	0.758	S	S	*	*			trans	-84	130.8	160	43.9	0	0	0	0	108.5
95	E	26.2	Very low	24.7	Very low	198 Å²	198	149 Å²	149	93%	0.925	76%	0.763	S	S	*	*			trans	-126.1	116.2	139.9	-81	-169.1	163	0	0	107.2
96	E	23.6	Very low	24.8	Very low	165 Å²	165	152.3 Å²	152.3	77%	0.771	77%	0.768	S	S	*	*			trans	-63.1	148.5	171.9	-65.7	166.2	145.7	0	0	110.4
97	N	27.2	Very low	24.9	Very low	161 Å²	161	158.7 Å²	158.7	86%	0.861	78%	0.78	S	S	*	*				-164.4	114.9	114.6	-92.9	-41.7	0	0	0	109.5
98	D	25.7	Very low	25	Very low	139 Å²	139	154.8 Å²	154.8	74%	0.743	77%	0.774	S	S	*	*			trans	-45.9	141.2	156.3	-79	-48.2	0	0	0	110.6
99	D	28.7	Very low	25.2	Very low	155 Å²	155	155.4 Å²	155.4	83%	0.829	78%	0.781	S	S	*	*				-168.1	146.4	112.8	-105.8	-30.4	0	0	0	114.6
100	K	28.2	Very low	25.2	Very low	183 Å²	183	154.6 Å²	154.6	80%	0.796	78%	0.779	S	S	*	*			trans	-74.8	154.8	-169.2	-66.2	158.5	177.1	166.6	0	112.7
101	Q	24.2	Very low	25.3	Very low	181 Å²	181	154.8 Å²	154.8	85%	0.846	78%	0.784	S	S	*	*			trans	-58.3	157.2	163.8	-72.4	-160.1	-38.5	0	0	112.4
102	P	27.6	Very low	25.5	Very low	127 Å²	127	151.7 Å²	151.7	83%	0.825	78%	0.782	S	S	*	*				-135.8	155.9	125	32.3	-17.4	0	0	0	115.2
103	E	23.8	Very low	25.5	Very low	143 Å²	143	155.3 Å²	155.3	67%	0.668	79%	0.794	S	S	*	*			trans	-68.7	157.7	-178.8	-70.6	-169.3	130.4	0	0	116.3
104	K	27.4	Very low	25.6	Very low	162 Å²	162	153.7 Å²	153.7	70%	0.704	79%	0.789	S	S	*	*			trans	61	124.8	142.2	-71.6	163.5	-170.1	148.8	0	120.2
105	E	26.3	Very low	25.6	Very low	181 Å²	181	157.1 Å²	157.1	85%	0.846	80%	0.8	S	S	*	*				-171.8	145.7	98.7	-100.9	-179.2	178.3	0	0	113.3
106	K	24.4	Very low	25.5	Very low	185 Å²	185	158 Å²	158	80%	0.804	80%	0.796	S	S	*	*			trans	-84.6	144.9	-179	-70.3	169	170.7	176.1	0	110.8
107	Y	25.6	Very low	25.6	Very low	218 Å²	218	155.3 Å²	155.3	86%	0.855	80%	0.795	S	S	*	*			trans	-147.9	140.9	135	-82.2	-73.2	0	0	0	111.5
108	P	25.7	Very low	25.4	Very low	105 Å²	105	152.8 Å²	152.8	68%	0.682	79%	0.79	S	S	*	*			trans	-99.3	-177.4	-173.3	40.3	-32.8	0	0	0	112.7
109	I	26.4	Very low	25.4	Very low	169 Å²	169	151.6 Å²	151.6	87%	0.867	79%	0.788	S	S	*	*			trans	123.9	141.2	163.8	-64.4	154	0	0	0	109.6
110	D	24.9	Very low	25.3	Very low	143 Å²	143	148.1 Å²	148.1	77%	0.765	79%	0.79	S	S	*	*			cis	-168.6	161.6	-37.4	-161.9	0.6	0	0	0	103.6
111	S	22.7	Very low	25.1	Very low	97 Å²	97	148.6 Å²	148.6	68%	0.678	79%	0.791	S	S	*	*			trans	-54.7	136.8	-168.2	55.9	0	0	0	0	117.3
112	T	27.8	Very low	25.3	Very low	134 Å²	134	145.6 Å²	145.6	82%	0.822	79%	0.788	S	S	*	*			trans	-159.2	117.4	133.8	42.3	0	0	0	0	111.6
113	D	23.1	Very low	25.3	Very low	165 Å²	165	147.8 Å²	147.8	88%	0.882	79%	0.792	S	S	*	*			trans	7.6	106.4	158.9	-62	-37.2	0	0	0	120.1
114	V	25.4	Very low	26	Very low	119 Å²	119	145.3 Å²	145.3	72%	0.721	78%	0.78	S	S	*	*			trans	-138.6	113.9	150.4	-174.6	0	0	0	0	109.6	Y116	V114-Y116 HydrophobicContact CG1-CD2 4.33Å; V114-Y116 HydrophobicContact CG1-CE2 4.33Å; V114-Y116 PolarHBondContact O-N 3.05Å
115	N	22.7	Very low	26.4	Very low	170 Å²	170	141 Å²	141	91%	0.909	77%	0.771	S	S	*	*			trans	-52.1	112.7	171	-78.7	-45.5	0	0	0	112
116	Y	24.5	Very low	26.9	Very low	217 Å²	217	141.6 Å²	141.6	85%	0.851	77%	0.765	S	S	*	*			trans	-115.9	102.6	164.3	-99.5	-87	0	0	0	110.6	V114 S118	V114-Y116 HydrophobicContact CG1-CD2 4.33Å; V114-Y116 HydrophobicContact CG1-CE2 4.33Å; V114-Y116 PolarHBondContact O-N 3.05Å; Y116-S118 PolarHBondContact O-N 3.43Å
117	S	25	Very low	27.6	Very low	107 Å²	107	140.3 Å²	140.3	75%	0.748	76%	0.759	S	S	*	*			trans	-77.8	114.2	170.3	56.6	0	0	0	0	111.6
118	S	23.4	Very low	28.4	Very low	108 Å²	108	132.9 Å²	132.9	76%	0.755	73%	0.73	S	S	*	*			trans	17.4	109.3	147.6	67.5	0	0	0	0	120.2	Y116	Y116-S118 PolarHBondContact O-N 3.43Å
119	T	26.7	Very low	29.1	Very low	114 Å²	114	128.5 Å²	128.5	70%	0.699	70%	0.701	S	S	*	*			trans	-154.6	79.1	143	43.8	0	0	0	0	110.9	K121	T119-K121 PolarHBondContact O-N 3.28Å
120	G	24.8	Very low	29.9	Very low	83 Å²	83	124.6 Å²	124.6	86%	0.856	69%	0.685	S	S	*	*			trans	-70.8	108.5	166.4	0	0	0	0	0	109.9
121	K	25.6	Very low	30.7	Very low	192 Å²	192	120.9 Å²	120.9	84%	0.835	67%	0.67	S	S	*	*			trans	-65	132.9	169.6	-72.7	-179.9	178.2	178.5	0	108.5	T119 L123	T119-K121 PolarHBondContact O-N 3.28Å; K121-L123 PolarHBondContact O-N 3.13Å
122	P	27.1	Very low	31.6	Very low	119 Å²	119	117 Å²	117	77%	0.773	64%	0.643	S	S	*	*			trans	-65.8	121.6	175.2	26.8	-30.7	0	0	0	108.6	Q124	P122-Q124 PolarHBondContact O-N 3.41Å; P122-Q124 VanDerWaalsContact O-N 3.09Å
123	L	29.1	Very low	32.3	Very low	173 Å²	173	112.3 Å²	112.3	91%	0.906	62%	0.615	S	S	*	*			trans	-58.8	115.3	168.3	-93.1	89.9	0	0	0	107.9	K121	K121-L123 PolarHBondContact O-N 3.13Å
124	Q	36.5	Very low	33	Very low	91 Å²	91	108.1 Å²	108.1	43%	0.425	59%	0.587	S	S	.	*			trans	-53.9	143.4	170.2	-69.6	177.7	-13.6	0	0	109.3	P122 R126 L129	P122-Q124 PolarHBondContact O-N 3.41Å; P122-Q124 VanDerWaalsContact O-N 3.09Å; Q124-R126 PolarHBondContact O-N 3.25Å; Q124-L129 HydrophobicContact CB-CD1 4.3Å
125	S	37.4	Very low	33.8	Very low	72 Å²	72	105.5 Å²	105.5	50%	0.503	57%	0.572	S	S	.	*			trans	-59.8	99.6	178.8	172.4	0	0	0	0	109.9	K127 Y128 L129	S125-K127 PolarHBondContact O-N 3.3Å; S125-Y128 PolarHBondContact O-N 2.87Å; S125-Y128 PolarHBondContact OG-N 2.86Å; S125-L129 PolarHBondContact O-N 3.07Å
126	R	37	Very low	34.8	Very low	192 Å²	192	97.5 Å²	97.5	73%	0.725	53%	0.529	S	S	*	.	H	α-helix	trans	-49.2	-31.7	173.5	-161	173	-177.7	159.8	4.3	110.7	Q124 L129 T130	Q124-R126 PolarHBondContact O-N 3.25Å; R126-L129 PolarHBondContact O-N 2.94Å; R126-T130 WeakPolarHBondContact O-CB 3.49Å; R126-T130 PolarHBondContact O-N 2.83Å; R126-T130 PolarHBondContact O-OG1 3.4Å
127	K	38.3	Very low	35.8	Very low	159 Å²	159	92.1 Å²	92.1	69%	0.691	51%	0.51	S	S	*	.	H	α-helix	trans	-64.7	-39.6	176.8	-65	179.2	-179.2	171.6	0	113.9	S125 S131	S125-K127 PolarHBondContact O-N 3.3Å; K127-S131 WeakPolarHBondContact O-CB 3.47Å; K127-S131 PolarHBondContact O-N 2.84Å
128	Y	42.2	Very low	36.8	Very low	62 Å²	62	89.8 Å²	89.8	24%	0.243	49%	0.487	C	S	.	.	H	α-helix	trans	-67	-49	176.2	170.4	-105.5	0	0	0	110.2	S125 T130 S131 V132 M208 P214 F217	S125-Y128 PolarHBondContact O-N 2.87Å; S125-Y128 PolarHBondContact OG-N 2.86Å; Y128-T130 VanDerWaalsContact C-N 3.33Å; Y128-T130 PolarHBondContact O-N 3.35Å; Y128-S131 WeakPolarHBondContact O-CA 3.42Å; Y128-S131 WeakPolarHBondContact O-CB 3.48Å; Y128-S131 PolarHBondContact O-N 3.09Å; Y128-V132 HydrophobicContact CD1-CG2 4.4Å; Y128-V132 HydrophobicContact CD2-CG2 4.02Å; Y128-V132 HydrophobicContact CE1-CG2 3.95Å; Y128-V132 HydrophobicContact CE2-CG2 3.52Å; Y128-V132 HydrophobicContact CG-CG2 4.43Å; Y128-V132 VanDerWaalsContact CZ-CG2 3.48Å; Y128-V132 WeakPolarHBondContact O-CG2 3.2Å; Y128-V132 PolarHBondContact O-N 3.5Å; Y128-M208 HydrophobicContact CE1-CE 3.72Å; Y128-P214 PolarHBondContact OH-O 3.45Å; Y128-F217 HydrophobicContact CD1-CD2 4.33Å; Y128-F217 HydrophobicContact CD1-CE2 4.06Å; Y128-F217 HydrophobicContact CD2-CE2 4.42Å; Y128-F217 HydrophobicContact CE1-CD2 4.13Å; Y128-F217 AromaticContact CE1-CE2 3.48Å; Y128-F217 HydrophobicContact CE1-CE2 3.48Å; Y128-F217 VanDerWaalsContact CE1-CE2 3.48Å; Y128-F217 AromaticContact CE2-CE2 3.91Å; Y128-F217 HydrophobicContact CE2-CE2 3.91Å; Y128-F217 HydrophobicContact CE2-CZ 4.34Å; Y128-F217 HydrophobicContact CG-CE2 4.49Å; Y128-F217 AromaticContact CZ-CE2 3.4Å; Y128-F217 VanDerWaalsContact CZ-CE2 3.4Å
129	L	41.1	Very low	37.5	Very low	13 Å²	13	86.1 Å²	86.1	7%	0.068	46%	0.459	C	S	.	.	H	α-helix	trans	-61.2	-40.3	179.1	-69	172.1	0	0	0	112.1	Q124 S125 R126 S131 V132 S133 L201 M204 L205 M208	Q124-L129 HydrophobicContact CB-CD1 4.3Å; S125-L129 PolarHBondContact O-N 3.07Å; R126-L129 PolarHBondContact O-N 2.94Å; L129-S131 PolarHBondContact O-N 3.07Å; L129-V132 PolarHBondContact O-N 3.42Å; L129-S133 VanDerWaalsContact O-CB 3.29Å; L129-S133 WeakPolarHBondContact O-CB 3.34Å; L129-S133 PolarHBondContact O-N 3.32Å; L129-L201 HydrophobicContact CD1-CD1 3.64Å; L129-M204 HydrophobicContact CB-CE 3.74Å; L129-M204 HydrophobicContact CB-SD 4.01Å; L129-M204 HydrophobicContact CD1-CE 4.05Å; L129-M204 HydrophobicContact CD2-CE 3.74Å; L129-M204 HydrophobicContact CD2-SD 4.17Å; L129-M204 HydrophobicContact CG-CE 4.04Å; L129-L205 HydrophobicContact CD2-CD2 4.42Å; L129-M208 HydrophobicContact CD2-SD 3.92Å
130	T	42.3	Very low	38.1	Very low	87 Å²	87	84.7 Å²	84.7	53%	0.534	45%	0.447	S	S	.	.	H	α-helix	trans	-62.3	-41.5	171.8	-54.5	0	0	0	0	112	R126 Y128 V132 S133	R126-T130 WeakPolarHBondContact O-CB 3.49Å; R126-T130 PolarHBondContact O-N 2.83Å; R126-T130 PolarHBondContact O-OG1 3.4Å; Y128-T130 VanDerWaalsContact C-N 3.33Å; Y128-T130 PolarHBondContact O-N 3.35Å; T130-V132 VanDerWaalsContact C-N 3.34Å; T130-V132 PolarHBondContact O-N 2.7Å; T130-S133 PolarHBondContact O-OG 3.09Å
131	S	41.2	Very low	39.1	Very low	65 Å²	65	87.9 Å²	87.9	46%	0.455	43%	0.434	S	S	.	.	H	α-helix	trans	-65.8	-35.5	177.8	-170	0	0	0	0	112.8	K127 Y128 L129	K127-S131 WeakPolarHBondContact O-CB 3.47Å; K127-S131 PolarHBondContact O-N 2.84Å; Y128-S131 WeakPolarHBondContact O-CA 3.42Å; Y128-S131 WeakPolarHBondContact O-CB 3.48Å; Y128-S131 PolarHBondContact O-N 3.09Å; L129-S131 PolarHBondContact O-N 3.07Å
132	V	42.3	Very low	39.7	Very low	16 Å²	16	81.9 Å²	81.9	10%	0.097	42%	0.416	C	S	.	.	H	α-helix	trans	-79	-38.9	179	177.3	0	0	0	0	111.1	Y128 L129 T130 Y134 T135 L136 M208 L213	Y128-V132 HydrophobicContact CD1-CG2 4.4Å; Y128-V132 HydrophobicContact CD2-CG2 4.02Å; Y128-V132 HydrophobicContact CE1-CG2 3.95Å; Y128-V132 HydrophobicContact CE2-CG2 3.52Å; Y128-V132 HydrophobicContact CG-CG2 4.43Å; Y128-V132 VanDerWaalsContact CZ-CG2 3.48Å; Y128-V132 WeakPolarHBondContact O-CG2 3.2Å; Y128-V132 PolarHBondContact O-N 3.5Å; L129-V132 PolarHBondContact O-N 3.42Å; T130-V132 VanDerWaalsContact C-N 3.34Å; T130-V132 PolarHBondContact O-N 2.7Å; V132-Y134 PolarHBondContact O-N 3.02Å; V132-Y134 VanDerWaalsContact O-N 3.12Å; V132-T135 WeakPolarHBondContact O-CB 3.44Å; V132-T135 PolarHBondContact O-N 2.82Å; V132-L136 HydrophobicContact CG1-CD1 3.89Å; V132-L136 HydrophobicContact CG1-CD2 4.38Å; V132-L136 HydrophobicContact CG1-CG 3.84Å; V132-L136 WeakPolarHBondContact O-CG 3.26Å; V132-L136 PolarHBondContact O-N 3.34Å; V132-M208 HydrophobicContact CB-SD 4.49Å; V132-M208 HydrophobicContact CG1-CE 4.08Å; V132-M208 HydrophobicContact CG1-CG 3.9Å; V132-M208 HydrophobicContact CG1-SD 3.87Å; V132-L213 HydrophobicContact CG1-CD1 3.96Å
133	S	42.7	Very low	40.1	Very low	35 Å²	35	81.1 Å²	81.1	25%	0.245	41%	0.405	C	S	.	.	H	α-helix	trans	-53.3	-35.6	179.6	73.8	0	0	0	0	114.1	L129 T130 K137	L129-S133 VanDerWaalsContact O-CB 3.29Å; L129-S133 WeakPolarHBondContact O-CB 3.34Å; L129-S133 PolarHBondContact O-N 3.32Å; T130-S133 PolarHBondContact O-OG 3.09Å; S133-K137 WeakPolarHBondContact O-CG 3.38Å; S133-K137 PolarHBondContact O-N 3.33Å
134	Y	38.4	Very low	40.4	Very low	76 Å²	76	76.8 Å²	76.8	30%	0.298	39%	0.39	S	S	.	.	H	α-helix	trans	-70.8	-42.5	178.3	-174.7	-97.1	0	0	0	111.9	D33 V132 K137 H138 F612	D33-Y134 PolarHBondContact O-OH 2.86Å; D33-Y134 VanDerWaalsContact O-OH 3.12Å; V132-Y134 PolarHBondContact O-N 3.02Å; V132-Y134 VanDerWaalsContact O-N 3.12Å; Y134-K137 PolarHBondContact O-N 3.32Å; Y134-H138 AromaticContact CE1-CD2 3.52Å; Y134-H138 AromaticContact CE1-NE2 3.76Å; Y134-H138 AromaticContact CZ-CD2 3.62Å; Y134-H138 AromaticContact CZ-NE2 3.44Å; Y134-H138 PolarHBondContact O-N 2.99Å; Y134-H138 PolarHBondContact OH-NE2 2.97Å; Y134-F612 HydrophobicContact CE1-CB 4.21Å; Y134-F612 HydrophobicContact CE1-CD1 4.22Å; Y134-F612 HydrophobicContact CE1-CG 4.29Å
135	T	41.9	Very low	40.2	Very low	65 Å²	65	78.4 Å²	78.4	40%	0.399	41%	0.405	S	S	.	.	H	α-helix	trans	-66.1	-40.9	175.4	-51.5	0	0	0	0	111.1	V132 H138 L139	V132-T135 WeakPolarHBondContact O-CB 3.44Å; V132-T135 PolarHBondContact O-N 2.82Å; T135-H138 PolarHBondContact O-N 2.98Å; T135-L139 HydrophobicContact CG2-CD1 3.93Å; T135-L139 HydrophobicContact CG2-CG 4.46Å; T135-L139 VanDerWaalsContact O-CG 3.32Å; T135-L139 WeakPolarHBondContact O-CG 3.43Å; T135-L139 PolarHBondContact O-N 3.14Å
136	L	43.1	Very low	39.9	Very low	1 Å²	1	82 Å²	82	1%	0.005	42%	0.418	C	S	.	.	H	α-helix	trans	-58.5	-49.8	174.7	-69.8	174.7	0	0	0	111.7	V132 H138 L139 L140 M204 E207 M208 L211 L213	V132-L136 HydrophobicContact CG1-CD1 3.89Å; V132-L136 HydrophobicContact CG1-CD2 4.38Å; V132-L136 HydrophobicContact CG1-CG 3.84Å; V132-L136 WeakPolarHBondContact O-CG 3.26Å; V132-L136 PolarHBondContact O-N 3.34Å; L136-H138 VanDerWaalsContact C-N 3.3Å; L136-H138 PolarHBondContact O-N 3.12Å; L136-L139 PolarHBondContact O-N 2.78Å; L136-L140 WeakPolarHBondContact O-CG 3.42Å; L136-L140 PolarHBondContact O-N 3.08Å; L136-M204 HydrophobicContact CD1-CG 3.73Å; L136-E207 HydrophobicContact CD1-CB 4.39Å; L136-E207 HydrophobicContact CD2-CB 4.44Å; L136-M208 HydrophobicContact CD1-CG 3.7Å; L136-M208 HydrophobicContact CD2-CG 4.22Å; L136-M208 HydrophobicContact CG-CG 4.46Å; L136-L211 HydrophobicContact CD2-CD1 3.24Å; L136-L213 HydrophobicContact CD2-CD1 3.68Å
137	K	46.2	Very low	39.4	Very low	105 Å²	105	78.4 Å²	78.4	46%	0.457	42%	0.422	S	S	.	.	H	α-helix	trans	-55.6	-47.2	176.9	-78.6	178.5	-179.2	179.1	0	110.6	S133 Y134 L140 Y141	S133-K137 WeakPolarHBondContact O-CG 3.38Å; S133-K137 PolarHBondContact O-N 3.33Å; Y134-K137 PolarHBondContact O-N 3.32Å; K137-L140 PolarHBondContact O-N 2.91Å; K137-Y141 WeakPolarHBondContact O-CD2 3.42Å; K137-Y141 PolarHBondContact O-N 3.4Å
138	H	45.6	Very low	38.9	Very low	58 Å²	58	74.7 Å²	74.7	27%	0.269	43%	0.428	S	S	.	.	H	α-helix	trans	-64.7	-42.1	-179.8	-91.5	-69.8	0	0	0	113.7	D33 Y134 T135 L136 L140 Y141 S142	D33-H138 PolarHBondContact O-CE1 2.94Å; D33-H138 PolarHBondContact O-NE2 3.13Å; Y134-H138 AromaticContact CE1-CD2 3.52Å; Y134-H138 AromaticContact CE1-NE2 3.76Å; Y134-H138 AromaticContact CZ-CD2 3.62Å; Y134-H138 AromaticContact CZ-NE2 3.44Å; Y134-H138 PolarHBondContact O-N 2.99Å; Y134-H138 PolarHBondContact OH-NE2 2.97Å; T135-H138 PolarHBondContact O-N 2.98Å; L136-H138 VanDerWaalsContact C-N 3.3Å; L136-H138 PolarHBondContact O-N 3.12Å; H138-L140 PolarHBondContact O-N 3.17Å; H138-Y141 PolarHBondContact O-N 3.29Å; H138-S142 PolarHBondContact O-N 3.45Å; H138-S142 PolarHBondContact O-OG 3.38Å
139	L	37.6	Very low	38.4	Very low	31 Å²	31	77.3 Å²	77.3	16%	0.162	46%	0.456	C	S	.	.	H	α-helix	trans	-66.1	-35.8	179.4	-70	167.4	0	0	0	112.9	T135 L136 S142 C346	T135-L139 HydrophobicContact CG2-CD1 3.93Å; T135-L139 HydrophobicContact CG2-CG 4.46Å; T135-L139 VanDerWaalsContact O-CG 3.32Å; T135-L139 WeakPolarHBondContact O-CG 3.43Å; T135-L139 PolarHBondContact O-N 3.14Å; L136-L139 PolarHBondContact O-N 2.78Å; L139-S142 WeakPolarHBondContact CA-OG 3.41Å; L139-S142 PolarHBondContact O-OG 2.84Å; L139-C346 HydrophobicContact CD1-CB 3.66Å; L139-C346 HydrophobicContact CD2-CB 3.54Å; L139-C346 HydrophobicContact CG-CB 4.26Å
140	L	40.7	Very low	37.7	Very low	83 Å²	83	84.8 Å²	84.8	44%	0.435	50%	0.496	S	S	.	.	H	α-helix	trans	-73.8	-30.4	179.1	-69.8	167.2	0	0	0	113	L136 K137 H138 E207	L136-L140 WeakPolarHBondContact O-CG 3.42Å; L136-L140 PolarHBondContact O-N 3.08Å; K137-L140 PolarHBondContact O-N 2.91Å; H138-L140 PolarHBondContact O-N 3.17Å; L140-E207 HydrophobicContact CD1-CG 4.25Å
141	Y	45.4	Very low	37.3	Very low	151 Å²	151	86.3 Å²	86.3	59%	0.592	51%	0.51	S	S	*	.	H	α-helix	trans	-85.5	-24	179.5	-73.8	-66.3	0	0	0	113.9	K137 H138 D143 S144	K137-Y141 WeakPolarHBondContact O-CD2 3.42Å; K137-Y141 PolarHBondContact O-N 3.4Å; H138-Y141 PolarHBondContact O-N 3.29Å; Y141-D143 VanDerWaalsContact C-N 3.26Å; Y141-D143 PolarHBondContact O-N 3.35Å; Y141-S144 PolarHBondContact O-N 3.28Å; Y141-S144 PolarHBondContact O-OG 2.95Å
142	S	37.3	Very low	36.8	Very low	66 Å²	66	88.7 Å²	88.7	46%	0.462	53%	0.527	S	S	.	.	H	α-helix	trans	-65.7	-22.5	178.4	31.5	0	0	0	0	114.7	H138 L139	H138-S142 PolarHBondContact O-N 3.45Å; H138-S142 PolarHBondContact O-OG 3.38Å; L139-S142 WeakPolarHBondContact CA-OG 3.41Å; L139-S142 PolarHBondContact O-OG 2.84Å
143	D	35.5	Very low	36.4	Very low	102 Å²	102	93.1 Å²	93.1	55%	0.545	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.5	-7.8	-179.7	-78.5	-8.7	0	0	0	113.5	Y141 R345	Y141-D143 VanDerWaalsContact C-N 3.26Å; Y141-D143 PolarHBondContact O-N 3.35Å; D143-R345 IonicContact OD2-NH1 3.54Å; D143-R345 PolarHBondContact OD2-NH1 3.42Å
144	S	35	Very low	35.8	Very low	82 Å²	82	99 Å²	99	57%	0.573	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	-5.2	-175.5	65.7	0	0	0	0	115.6	Y141	Y141-S144 PolarHBondContact O-N 3.28Å; Y141-S144 PolarHBondContact O-OG 2.95Å
145	V	33.7	Very low	35.6	Very low	125 Å²	125	99.8 Å²	99.8	76%	0.758	60%	0.601	S	S	*	*	S	Bend	trans	-108.4	10.5	-173.6	-173.1	0	0	0	0	113
146	I	29.5	Very low	34.9	Very low	149 Å²	149	103.8 Å²	103.8	76%	0.764	62%	0.62	S	S	*	*	S	Bend	trans	-113.7	61	177.6	-47.2	178.6	0	0	0	110.2
147	S	27	Very low	34.4	Very low	116 Å²	116	113 Å²	113	81%	0.811	66%	0.663	S	S	*	*			trans	-168.2	106.9	155.7	53.9	0	0	0	0	109.4
148	G	27.4	Very low	33.4	Very low	80 Å²	80	117 Å²	117	83%	0.825	68%	0.68	S	S	*	*			trans	166.2	59.8	-177.4	0	0	0	0	0	112.6
149	S	31.8	Very low	32.6	Very low	118 Å²	118	124.1 Å²	124.1	83%	0.825	71%	0.711	S	S	*	*			trans	-96.8	95.5	163.1	57.4	0	0	0	0	108.5
150	D	27.1	Very low	32	Very low	169 Å²	169	133 Å²	133	90%	0.904	74%	0.742	S	S	*	*			trans	-99.4	107.4	164.4	-89.5	-25.6	0	0	0	109
151	S	33.9	Very low	31.2	Very low	120 Å²	120	133.8 Å²	133.8	84%	0.839	75%	0.751	S	S	*	*			trans	-153.7	108.3	151.4	50.8	0	0	0	0	110.3
152	S	31	Very low	30.5	Very low	115 Å²	115	135.4 Å²	135.4	80%	0.804	76%	0.764	S	S	*	*			trans	-77.2	-178.5	173.6	59.6	0	0	0	0	112.3
153	P	34	Very low	29.9	Very low	108 Å²	108	138.8 Å²	138.8	70%	0.701	78%	0.776	S	S	*	*				-127.6	153.7	-72.5	35.7	-19.8	0	0	0	111.1
154	D	30.2	Very low	29.5	Very low	160 Å²	160	144.3 Å²	144.3	86%	0.856	80%	0.796	S	S	*	*			trans	-159.6	130.2	151.2	-112.4	-24.6	0	0	0	115.7
155	S	33.4	Very low	29.1	Very low	91 Å²	91	146.2 Å²	146.2	64%	0.636	80%	0.804	S	S	*	*			trans	41.8	117	152.6	68.6	0	0	0	0	122.9
156	N	27.6	Very low	28.7	Very low	150 Å²	150	145.6 Å²	145.6	80%	0.802	80%	0.802	S	S	*	*				51.6	108.1	129.3	-66	-28.9	0	0	0	119.9
157	H	32.3	Very low	28.7	Very low	194 Å²	194	144.7 Å²	144.7	90%	0.898	81%	0.806	S	S	*	*				-171.9	128.2	109.4	-105.5	-76.3	0	0	0	112.3
158	K	25.5	Very low	28.5	Very low	189 Å²	189	146.2 Å²	146.2	82%	0.822	81%	0.811	S	S	*	*			trans	-68.4	143.9	172.9	-75.4	169.6	169.9	171.4	0	112
159	F	28	Very low	28.7	Very low	207 Å²	207	147.3 Å²	147.3	91%	0.908	81%	0.812	S	S	*	*			trans	-177	95.6	134.5	-98.8	-73	0	0	0	108
160	R	24.9	Very low	28.3	Very low	218 Å²	218	147.1 Å²	147.1	82%	0.823	81%	0.811	S	S	*	*				70.7	100.7	86.6	-135.7	-160	175.9	156.5	-1	115.7
161	T	25.5	Very low	28.4	Very low	100 Å²	100	144 Å²	144	61%	0.613	80%	0.802	S	S	*	*			trans	50.6	130.6	135.3	59.5	0	0	0	0	121.7
162	Q	30	Very low	28.1	Very low	185 Å²	185	147 Å²	147	86%	0.864	80%	0.803	S	S	*	*				-173.3	145.7	98.6	-98.9	175.2	0.9	0	0	113.3
163	D	24.3	Very low	27.8	Very low	137 Å²	137	145.9 Å²	145.9	73%	0.733	80%	0.8	S	S	*	*			trans	-68.1	157.9	-170.1	-51.8	-75.9	0	0	0	115.6
164	F	27.3	Very low	27.4	Very low	217 Å²	217	146.9 Å²	146.9	95%	0.952	81%	0.805	S	S	*	*			trans	-156	138.9	137.5	-112.4	-81	0	0	0	112.4
165	V	27.1	Very low	27	Very low	122 Å²	122	148.5 Å²	148.5	74%	0.739	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-87.1	152.3	-157	173.7	0	0	0	0	113.8
166	P	24.4	Very low	26.7	Very low	112 Å²	112	155.7 Å²	155.7	73%	0.727	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-91.6	154.3	176.2	36.3	-32.2	0	0	0	112.9
167	P	29.2	Very low	26.5	Very low	131 Å²	131	155.4 Å²	155.4	85%	0.851	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-101.6	121	169.1	32.9	-23.3	0	0	0	112.4
168	T	24.3	Very low	26.2	Very low	147 Å²	147	152.2 Å²	152.2	90%	0.902	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-73.3	133.4	154.4	26.1	0	0	0	0	110.8
169	A	30.2	Very low	26.1	Very low	103 Å²	103	150.7 Å²	150.7	85%	0.851	81%	0.81	S	S	*	*			trans	-149.2	120.8	151.7	0	0	0	0	0	110.4
170	S	24.4	Very low	25.9	Very low	114 Å²	114	148 Å²	148	80%	0.797	81%	0.805	S	S	*	*			trans	-66	149.8	176.2	52.5	0	0	0	0	114.3
171	S	29.1	Very low	25.9	Very low	104 Å²	104	142 Å²	142	73%	0.727	80%	0.802	S	S	*	*				177.4	133.1	116.4	50	0	0	0	0	113.9
172	Q	27.9	Very low	25.8	Very low	183 Å²	183	144.9 Å²	144.9	86%	0.855	81%	0.813	S	S	*	*			trans	67.5	104.1	144.1	-65	178.1	1.1	0	0	119.1
173	A	23.8	Very low	25.4	Very low	91 Å²	91	141.6 Å²	141.6	75%	0.752	81%	0.81	S	S	*	*				79.8	119.1	96.2	0	0	0	0	0	112.3
174	T	26.2	Very low	25.5	Very low	129 Å²	129	144.2 Å²	144.2	79%	0.791	82%	0.816	S	S	*	*				-164.2	121.7	88.8	-52.9	0	0	0	0	110.9
175	K	23	Very low	25.4	Very low	194 Å²	194	138.9 Å²	138.9	84%	0.843	81%	0.805	S	S	*	*			trans	-68.4	135.2	161	-80.9	176.5	172.6	176.6	0	109.4
176	R	26.1	Very low	25.3	Very low	243 Å²	243	139 Å²	139	92%	0.917	81%	0.811	S	S	*	*			trans	-133.7	111.1	152.1	-110.3	179	178.2	143.3	-0.4	110
177	N	23.8	Very low	25.5	Very low	144 Å²	144	138.8 Å²	138.8	77%	0.77	81%	0.812	S	S	*	*			trans	-60.5	178.6	165.2	-74.3	-28.9	0	0	0	111.9
178	V	24.8	Very low	25.3	Very low	127 Å²	127	142.6 Å²	142.6	77%	0.77	82%	0.815	S	S	*	*			trans	113.5	119	153.9	175.2	0	0	0	0	111.2
179	L	24.8	Very low	25.4	Very low	156 Å²	156	140.7 Å²	140.7	82%	0.817	81%	0.808	S	S	*	*			cis	-164.8	152.2	3.4	-141.7	107.5	0	0	0	109.6
180	N	24	Very low	25.1	Very low	151 Å²	151	143.7 Å²	143.7	81%	0.807	81%	0.81	S	S	*	*			trans	-51.9	141.1	163.9	-71.7	-32.5	0	0	0	113.5
181	A	23.4	Very low	25.3	Very low	92 Å²	92	144.4 Å²	144.4	76%	0.76	81%	0.81	S	S	*	*			trans	-169	105.7	135.3	0	0	0	0	0	109
182	L	23.9	Very low	25.1	Very low	161 Å²	161	145.2 Å²	145.2	84%	0.843	82%	0.816	S	S	*	*			trans	172.7	71	141.9	-89.2	170.4	0	0	0	107.6
183	S	21.7	Very low	25.2	Very low	116 Å²	116	142.6 Å²	142.6	81%	0.811	81%	0.812	S	S	*	*			trans	-81.1	113	161.2	53.8	0	0	0	0	108.1
184	F	25.7	Very low	25.5	Very low	192 Å²	192	143.6 Å²	143.6	84%	0.842	81%	0.808	S	S	*	*			trans	-104.7	109.7	156.8	-101.9	-86.5	0	0	0	108.1
185	S	26.6	Very low	25.8	Very low	105 Å²	105	141.5 Å²	141.5	73%	0.734	80%	0.799	S	S	*	*			trans	-59.2	131	173.6	49	0	0	0	0	110.7	S187	S185-S187 PolarHBondContact O-N 3.3Å
186	S	24.6	Very low	26.4	Very low	123 Å²	123	135.8 Å²	135.8	86%	0.86	78%	0.783	S	S	*	*			trans	-68.4	107.6	171.3	47	0	0	0	0	111.1
187	S	28.2	Very low	26.8	Very low	108 Å²	108	128.9 Å²	128.9	76%	0.755	76%	0.764	S	S	*	*			trans	-105.6	114.2	156.2	47	0	0	0	0	108.5	S185 S189	S185-S187 PolarHBondContact O-N 3.3Å; S187-S189 PolarHBondContact O-N 3.22Å
188	K	24.8	Very low	27.5	Very low	211 Å²	211	125.8 Å²	125.8	92%	0.917	75%	0.751	S	S	*	*			trans	-56.6	120.1	176.6	-67.7	173.5	175.6	178.4	0	110.2
189	S	27.1	Very low	28.4	Very low	108 Å²	108	124.9 Å²	124.9	76%	0.755	74%	0.741	S	S	*	*			trans	-157.9	145.2	150.7	58.7	0	0	0	0	110.1	S187	S187-S189 PolarHBondContact O-N 3.22Å
190	N	24	Very low	29.5	Very low	165 Å²	165	123.4 Å²	123.4	88%	0.882	73%	0.731	S	S	*	*			trans	-74.4	119.6	-156	-62.6	-34.3	0	0	0	114.1
191	T	27.1	Very low	30.3	Very low	130 Å²	130	119.3 Å²	119.3	80%	0.798	71%	0.708	S	S	*	*			trans	-160.1	98.1	155.5	39.2	0	0	0	0	109.3
192	S	25.5	Very low	31.5	Very low	121 Å²	121	118 Å²	118	85%	0.846	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	38.1	-162.9	61.2	0	0	0	0	116.1
193	V	29.7	Very low	33.3	Very low	128 Å²	128	116.7 Å²	116.7	78%	0.776	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.9	-0.7	179.7	-171.8	0	0	0	0	113.9
194	V	31.3	Very low	34.6	Very low	112 Å²	112	112.4 Å²	112.4	68%	0.679	65%	0.648	S	S	*	*	S	Bend	trans	-112.5	0.3	-172.5	-172	0	0	0	0	113.8
195	S	32.4	Very low	35.7	Very low	85 Å²	85	104.8 Å²	104.8	59%	0.594	62%	0.616	S	S	*	*	S	Bend	trans	-91.6	-21	-173.5	96.6	0	0	0	0	116	D199	S195-D199 PolarHBondContact O-N 2.83Å
196	S	34.5	Very low	37.2	Very low	74 Å²	74	104.1 Å²	104.1	52%	0.517	60%	0.604	S	S	.	*	H	α-helix	trans	-70.1	-40	-177.2	56.9	0	0	0	0	113.5	V198 D199 E200	S196-V198 VanDerWaalsContact C-N 3.29Å; S196-V198 PolarHBondContact O-N 3.34Å; S196-D199 PolarHBondContact O-N 3.44Å; S196-E200 PolarHBondContact O-N 2.95Å
197	D	34.3	Very low	38.6	Very low	97 Å²	97	100.2 Å²	100.2	52%	0.519	57%	0.572	S	S	.	*	H	α-helix	trans	-67.6	-31.3	-177.5	-76.8	12.6	0	0	0	112.1	L201	D197-L201 VanDerWaalsContact O-CB 3.27Å; D197-L201 WeakPolarHBondContact O-CB 2.9Å; D197-L201 PolarHBondContact O-N 3.4Å; D197-L201 VanDerWaalsContact O-N 3.09Å
198	V	38.3	Very low	39.6	Very low	80 Å²	80	95 Å²	95	49%	0.485	54%	0.536	S	S	.	.	H	α-helix	trans	-75.7	-41.9	179.3	-178.4	0	0	0	0	110.6	S196 L201 C202	S196-V198 VanDerWaalsContact C-N 3.29Å; S196-V198 PolarHBondContact O-N 3.34Å; V198-L201 PolarHBondContact O-N 2.84Å; V198-C202 WeakPolarHBondContact O-CB 3.16Å; V198-C202 PolarHBondContact O-N 2.68Å; V198-C202 PolarHBondContact O-SG 2.98Å; V198-C202 VanDerWaalsContact O-SG 3.42Å
199	D	44.6	Very low	40.8	Very low	107 Å²	107	91.5 Å²	91.5	57%	0.572	52%	0.522	S	S	*	.	H	α-helix	trans	-65.1	-41	176.6	-71.3	-26	0	0	0	111.5	S195 S196 C202 K203	S195-D199 PolarHBondContact O-N 2.83Å; S196-D199 PolarHBondContact O-N 3.44Å; D199-C202 PolarHBondContact O-N 3.28Å; D199-K203 WeakPolarHBondContact O-CB 3.43Å; D199-K203 PolarHBondContact O-N 2.92Å
200	E	47.6	Very low	41.9	Very low	126 Å²	126	93.8 Å²	93.8	59%	0.589	52%	0.521	S	S	*	.	H	α-helix	trans	-66.6	-37.9	176.1	-163.1	174.6	-168.5	0	0	111.8	S196 M204	S196-E200 PolarHBondContact O-N 2.95Å; E200-M204 WeakPolarHBondContact O-CB 3.27Å; E200-M204 PolarHBondContact O-N 3.12Å
201	L	41.9	Very low	42.8	Very low	65 Å²	65	87.6 Å²	87.6	34%	0.34	49%	0.488	S	S	.	.	H	α-helix	trans	-63.9	-47	173.2	-169.2	92	0	0	0	111.8	L129 D197 V198 M204 L205	L129-L201 HydrophobicContact CD1-CD1 3.64Å; D197-L201 VanDerWaalsContact O-CB 3.27Å; D197-L201 WeakPolarHBondContact O-CB 2.9Å; D197-L201 PolarHBondContact O-N 3.4Å; D197-L201 VanDerWaalsContact O-N 3.09Å; V198-L201 PolarHBondContact O-N 2.84Å; L201-M204 HydrophobicContact CD1-CE 3.84Å; L201-M204 HydrophobicContact CG-CE 4.44Å; L201-M204 PolarHBondContact O-N 3.08Å; L201-L205 HydrophobicContact CD2-CD1 4.31Å; L201-L205 HydrophobicContact CG-CD1 4.23Å; L201-L205 VanDerWaalsContact O-CG 3.27Å; L201-L205 WeakPolarHBondContact O-CG 3.45Å; L201-L205 PolarHBondContact O-N 3.11Å
202	C	48.5	Very low	43.4	Very low	63 Å²	63	83 Å²	83	43%	0.426	47%	0.466	S	S	.	.	H	α-helix	trans	-61.1	-44.7	177.3	-77.8	0	0	0	0	111.5	V198 D199 M204 L205 D206	V198-C202 WeakPolarHBondContact O-CB 3.16Å; V198-C202 PolarHBondContact O-N 2.68Å; V198-C202 PolarHBondContact O-SG 2.98Å; V198-C202 VanDerWaalsContact O-SG 3.42Å; D199-C202 PolarHBondContact O-N 3.28Å; C202-M204 PolarHBondContact O-N 2.75Å; C202-L205 PolarHBondContact O-N 3.29Å; C202-D206 PolarHBondContact O-N 3.5Å
203	K	60.3	Low	44.1	Very low	135 Å²	135	79.3 Å²	79.3	59%	0.587	44%	0.437	S	S	*	.	H	α-helix	trans	-61	-43.4	176.6	-172	180	177.5	-176.1	0	112.3	D199 D206 E207	D199-K203 WeakPolarHBondContact O-CB 3.43Å; D199-K203 PolarHBondContact O-N 2.92Å; K203-D206 PolarHBondContact O-N 3.22Å; K203-E207 WeakPolarHBondContact CE-OE1 3.35Å; K203-E207 WeakPolarHBondContact O-CB 3.44Å; K203-E207 WeakPolarHBondContact O-CG 3.29Å; K203-E207 PolarHBondContact O-N 3.11Å
204	M	49.3	Very low	44.6	Very low	25 Å²	25	74.4 Å²	74.4	12%	0.123	41%	0.407	C	S	.	.	H	α-helix	trans	-65.2	-40	176.2	178.1	-176.7	46	0	0	112	L129 L136 E200 L201 C202 D206 E207 M208	L129-M204 HydrophobicContact CB-CE 3.74Å; L129-M204 HydrophobicContact CB-SD 4.01Å; L129-M204 HydrophobicContact CD1-CE 4.05Å; L129-M204 HydrophobicContact CD2-CE 3.74Å; L129-M204 HydrophobicContact CD2-SD 4.17Å; L129-M204 HydrophobicContact CG-CE 4.04Å; L136-M204 HydrophobicContact CD1-CG 3.73Å; E200-M204 WeakPolarHBondContact O-CB 3.27Å; E200-M204 PolarHBondContact O-N 3.12Å; L201-M204 HydrophobicContact CD1-CE 3.84Å; L201-M204 HydrophobicContact CG-CE 4.44Å; L201-M204 PolarHBondContact O-N 3.08Å; C202-M204 PolarHBondContact O-N 2.75Å; M204-D206 VanDerWaalsContact C-N 3.34Å; M204-E207 PolarHBondContact O-N 3.22Å; M204-M208 HydrophobicContact CG-SD 4.17Å; M204-M208 WeakPolarHBondContact O-CB 3.33Å; M204-M208 WeakPolarHBondContact O-CG 3.31Å; M204-M208 PolarHBondContact O-N 3.3Å
205	L	49.9	Very low	45	Very low	33 Å²	33	71.4 Å²	71.4	17%	0.173	39%	0.389	C	S	.	.	H	α-helix	trans	-64.4	-39.7	175.7	-70.9	168.7	0	0	0	111.4	L129 L201 C202 M208 Q209 T215	L129-L205 HydrophobicContact CD2-CD2 4.42Å; L201-L205 HydrophobicContact CD2-CD1 4.31Å; L201-L205 HydrophobicContact CG-CD1 4.23Å; L201-L205 VanDerWaalsContact O-CG 3.27Å; L201-L205 WeakPolarHBondContact O-CG 3.45Å; L201-L205 PolarHBondContact O-N 3.11Å; C202-L205 PolarHBondContact O-N 3.29Å; L205-M208 PolarHBondContact O-N 3.48Å; L205-Q209 WeakPolarHBondContact O-CB 3.4Å; L205-Q209 PolarHBondContact O-N 3.48Å; L205-T215 HydrophobicContact CD2-CG2 4.22Å; L205-T215 WeakPolarHBondContact O-CG2 3.43Å
206	D	56.4	Low	45.1	Very low	91 Å²	91	70.1 Å²	70.1	49%	0.487	38%	0.381	S	S	.	.	H	α-helix	trans	-64.6	-43.6	173.1	-78.1	-13.8	0	0	0	111.7	C202 K203 M204 M208 Q209 Q210	C202-D206 PolarHBondContact O-N 3.5Å; K203-D206 PolarHBondContact O-N 3.22Å; M204-D206 VanDerWaalsContact C-N 3.34Å; D206-M208 VanDerWaalsContact C-N 3.35Å; D206-M208 PolarHBondContact O-N 3.3Å; D206-Q209 PolarHBondContact O-N 3.05Å; D206-Q210 WeakPolarHBondContact O-CB 3.47Å; D206-Q210 VanDerWaalsContact O-CG 3.29Å; D206-Q210 WeakPolarHBondContact O-CG 3.35Å; D206-Q210 PolarHBondContact O-N 3.49Å
207	E	54.7	Low	44.8	Very low	40 Å²	40	71 Å²	71	19%	0.187	38%	0.375	C	S	.	.	H	α-helix	trans	-62.4	-41.2	175.6	-76	172.9	-168.2	0	0	111.7	L136 L140 K203 M204 Q210 L211	L136-E207 HydrophobicContact CD1-CB 4.39Å; L136-E207 HydrophobicContact CD2-CB 4.44Å; L140-E207 HydrophobicContact CD1-CG 4.25Å; K203-E207 WeakPolarHBondContact CE-OE1 3.35Å; K203-E207 WeakPolarHBondContact O-CB 3.44Å; K203-E207 WeakPolarHBondContact O-CG 3.29Å; K203-E207 PolarHBondContact O-N 3.11Å; M204-E207 PolarHBondContact O-N 3.22Å; E207-Q210 PolarHBondContact O-N 3.39Å; E207-L211 WeakPolarHBondContact O-CG 3.34Å; E207-L211 PolarHBondContact O-N 2.89Å; E207-L211 VanDerWaalsContact O-N 3.12Å
208	M	49.5	Very low	44.4	Very low	0 Å²	0	69.9 Å²	69.9	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-61.7	-45.7	173.1	-74.2	175.5	64.3	0	0	111.2	Y128 L129 V132 L136 M204 L205 D206 Q210 L211 G212 L213 P214 T215	Y128-M208 HydrophobicContact CE1-CE 3.72Å; L129-M208 HydrophobicContact CD2-SD 3.92Å; V132-M208 HydrophobicContact CB-SD 4.49Å; V132-M208 HydrophobicContact CG1-CE 4.08Å; V132-M208 HydrophobicContact CG1-CG 3.9Å; V132-M208 HydrophobicContact CG1-SD 3.87Å; L136-M208 HydrophobicContact CD1-CG 3.7Å; L136-M208 HydrophobicContact CD2-CG 4.22Å; L136-M208 HydrophobicContact CG-CG 4.46Å; M204-M208 HydrophobicContact CG-SD 4.17Å; M204-M208 WeakPolarHBondContact O-CB 3.33Å; M204-M208 WeakPolarHBondContact O-CG 3.31Å; M204-M208 PolarHBondContact O-N 3.3Å; L205-M208 PolarHBondContact O-N 3.48Å; D206-M208 VanDerWaalsContact C-N 3.35Å; D206-M208 PolarHBondContact O-N 3.3Å; M208-Q210 VanDerWaalsContact C-N 3.33Å; M208-Q210 PolarHBondContact O-N 2.95Å; M208-L211 CarbonylContact O-C 3.55Å; M208-L211 PolarHBondContact O-N 3.47Å; M208-L211 VanDerWaalsContact O-N 3.15Å; M208-G212 PolarHBondContact O-N 3.25Å; M208-G212 VanDerWaalsContact O-N 3.14Å; M208-L213 HydrophobicContact CB-CB 3.93Å; M208-L213 HydrophobicContact CE-CB 4.25Å; M208-L213 HydrophobicContact CG-CB 4.24Å; M208-L213 HydrophobicContact CG-CD1 4.27Å; M208-L213 WeakPolarHBondContact O-CB 3.42Å; M208-L213 PolarHBondContact O-N 3.44Å; M208-P214 WeakPolarHBondContact CE-O 3.34Å; M208-T215 HydrophobicContact CB-CG2 3.87Å
209	Q	49.6	Very low	43.7	Very low	136 Å²	136	71.8 Å²	71.8	64%	0.636	40%	0.402	S	S	*	.	H	α-helix	trans	-63.4	-38.4	177.6	-170.4	173.8	-10.1	0	0	111.9	L205 D206 L211 G212 T215	L205-Q209 WeakPolarHBondContact O-CB 3.4Å; L205-Q209 PolarHBondContact O-N 3.48Å; D206-Q209 PolarHBondContact O-N 3.05Å; Q209-L211 VanDerWaalsContact C-N 3.26Å; Q209-L211 PolarHBondContact O-N 3.35Å; Q209-G212 PolarHBondContact O-N 2.94Å; Q209-T215 HydrophobicContact CB-CG2 4.23Å
210	Q	49.9	Very low	42.8	Very low	156 Å²	156	72.2 Å²	72.2	73%	0.729	41%	0.41	S	S	*	.	H	α-helix	trans	-66	-26.6	175.2	-73.9	175.8	27.6	0	0	113.3	D206 E207 M208	D206-Q210 WeakPolarHBondContact O-CB 3.47Å; D206-Q210 VanDerWaalsContact O-CG 3.29Å; D206-Q210 WeakPolarHBondContact O-CG 3.35Å; D206-Q210 PolarHBondContact O-N 3.49Å; E207-Q210 PolarHBondContact O-N 3.39Å; M208-Q210 VanDerWaalsContact C-N 3.33Å; M208-Q210 PolarHBondContact O-N 2.95Å
211	L	43.3	Very low	41.7	Very low	36 Å²	36	76.6 Å²	76.6	19%	0.188	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	2.8	178.9	-70	167.5	0	0	0	113.6	L136 E207 M208 Q209 L213	L136-L211 HydrophobicContact CD2-CD1 3.24Å; E207-L211 WeakPolarHBondContact O-CG 3.34Å; E207-L211 PolarHBondContact O-N 2.89Å; E207-L211 VanDerWaalsContact O-N 3.12Å; M208-L211 CarbonylContact O-C 3.55Å; M208-L211 PolarHBondContact O-N 3.47Å; M208-L211 VanDerWaalsContact O-N 3.15Å; Q209-L211 VanDerWaalsContact C-N 3.26Å; Q209-L211 PolarHBondContact O-N 3.35Å; L211-L213 VanDerWaalsContact C-N 3.31Å; L211-L213 HydrophobicContact CB-CD1 4.14Å; L211-L213 HydrophobicContact CB-CG 4.16Å; L211-L213 HydrophobicContact CD1-CD1 4.47Å
212	G	38.8	Very low	41	Very low	32 Å²	32	83.6 Å²	83.6	33%	0.33	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	27	-176.7	0	0	0	0	0	113.5	M208 Q209	M208-G212 PolarHBondContact O-N 3.25Å; M208-G212 VanDerWaalsContact O-N 3.14Å; Q209-G212 PolarHBondContact O-N 2.94Å
213	L	42	Very low	39.9	Very low	44 Å²	44	89.3 Å²	89.3	23%	0.23	47%	0.47	C	S	.	.			trans	-91.1	138.1	177.9	-65.1	170.7	0	0	0	110.7	V132 L136 M208 L211 T215	V132-L213 HydrophobicContact CG1-CD1 3.96Å; L136-L213 HydrophobicContact CD2-CD1 3.68Å; M208-L213 HydrophobicContact CB-CB 3.93Å; M208-L213 HydrophobicContact CE-CB 4.25Å; M208-L213 HydrophobicContact CG-CB 4.24Å; M208-L213 HydrophobicContact CG-CD1 4.27Å; M208-L213 WeakPolarHBondContact O-CB 3.42Å; M208-L213 PolarHBondContact O-N 3.44Å; L211-L213 VanDerWaalsContact C-N 3.31Å; L211-L213 HydrophobicContact CB-CD1 4.14Å; L211-L213 HydrophobicContact CB-CG 4.16Å; L211-L213 HydrophobicContact CD1-CD1 4.47Å; L213-T215 PolarHBondContact O-N 2.99Å
214	P	38.6	Very low	38.2	Very low	25 Å²	25	92.3 Å²	92.3	16%	0.162	48%	0.483	C	S	.	.			trans	-60.3	122.1	179.9	-22.3	31.3	0	0	0	112.9	Y128 M208 F217	Y128-P214 PolarHBondContact OH-O 3.45Å; M208-P214 WeakPolarHBondContact CE-O 3.34Å; P214-F217 HydrophobicContact CB-CE1 4.35Å; P214-F217 HydrophobicContact CB-CE2 4.14Å; P214-F217 HydrophobicContact CB-CZ 3.74Å; P214-F217 HydrophobicContact CG-CZ 4.2Å
215	T	39.6	Very low	37	Very low	49 Å²	49	96.5 Å²	96.5	30%	0.301	51%	0.514	S	S	.	.			trans	-94.3	-2.2	-178.6	54.3	0	0	0	0	114	L205 M208 Q209 L213	L205-T215 HydrophobicContact CD2-CG2 4.22Å; L205-T215 WeakPolarHBondContact O-CG2 3.43Å; M208-T215 HydrophobicContact CB-CG2 3.87Å; Q209-T215 HydrophobicContact CB-CG2 4.23Å; L213-T215 PolarHBondContact O-N 2.99Å
216	S	35.8	Very low	35.9	Very low	59 Å²	59	101.6 Å²	101.6	41%	0.413	55%	0.547	S	S	.	.			trans	-147.6	143.7	176.5	69.5	0	0	0	0	112.6
217	F	28.5	Very low	34.5	Very low	93 Å²	93	104.2 Å²	104.2	41%	0.408	56%	0.561	S	S	.	*			trans	-130.4	116.3	170.6	-69.8	-78.8	0	0	0	109.4	Y128 P214 W365	Y128-F217 HydrophobicContact CD1-CD2 4.33Å; Y128-F217 HydrophobicContact CD1-CE2 4.06Å; Y128-F217 HydrophobicContact CD2-CE2 4.42Å; Y128-F217 HydrophobicContact CE1-CD2 4.13Å; Y128-F217 AromaticContact CE1-CE2 3.48Å; Y128-F217 HydrophobicContact CE1-CE2 3.48Å; Y128-F217 VanDerWaalsContact CE1-CE2 3.48Å; Y128-F217 AromaticContact CE2-CE2 3.91Å; Y128-F217 HydrophobicContact CE2-CE2 3.91Å; Y128-F217 HydrophobicContact CE2-CZ 4.34Å; Y128-F217 HydrophobicContact CG-CE2 4.49Å; Y128-F217 AromaticContact CZ-CE2 3.4Å; Y128-F217 VanDerWaalsContact CZ-CE2 3.4Å; P214-F217 HydrophobicContact CB-CE1 4.35Å; P214-F217 HydrophobicContact CB-CE2 4.14Å; P214-F217 HydrophobicContact CB-CZ 3.74Å; P214-F217 HydrophobicContact CG-CZ 4.2Å; F217-W365 AromaticContact CD1-CH2 3.35Å; F217-W365 HydrophobicContact CD1-CH2 3.35Å; F217-W365 HydrophobicContact CD1-CZ2 4.32Å; F217-W365 AromaticContact CD1-CZ3 3.86Å; F217-W365 HydrophobicContact CD1-CZ3 3.86Å; F217-W365 AromaticContact CE1-CH2 3.25Å; F217-W365 HydrophobicContact CE1-CH2 3.25Å; F217-W365 AromaticContact CE1-CZ2 3.83Å; F217-W365 HydrophobicContact CE1-CZ2 3.83Å; F217-W365 HydrophobicContact CE1-CZ3 4.2Å; F217-W365 HydrophobicContact CG-CH2 4.09Å; F217-W365 HydrophobicContact CG-CZ3 4.46Å; F217-W365 AromaticContact CZ-CH2 3.93Å; F217-W365 HydrophobicContact CZ-CH2 3.93Å; F217-W365 HydrophobicContact CZ-CZ2 4.39Å
218	G	26.3	Very low	33.2	Very low	73 Å²	73	108 Å²	108	75%	0.753	59%	0.589	S	S	*	*			trans	158	131.1	177.1	0	0	0	0	0	112.3
219	C	23.1	Very low	32	Very low	120 Å²	120	117.3 Å²	117.3	81%	0.811	63%	0.629	S	S	*	*			trans	-65.4	135.7	175.8	-168.1	0	0	0	0	110.4	R221	C219-R221 PolarHBondContact O-N 2.99Å
220	P	26	Very low	30.8	Very low	115 Å²	115	116.7 Å²	116.7	75%	0.747	64%	0.64	S	S	*	*			trans	-64.6	128.6	169.6	-5.2	18.3	0	0	0	109.7	K222	P220-K222 PolarHBondContact O-N 3.39Å
221	R	23.2	Very low	29.7	Very low	218 Å²	218	113.7 Å²	113.7	82%	0.823	64%	0.642	S	S	*	*			trans	-14.3	117.4	171.4	-70.2	173.6	171.8	173.7	-3.6	115.4	C219	C219-R221 PolarHBondContact O-N 2.99Å
222	K	27.9	Very low	28.8	Very low	213 Å²	213	120.8 Å²	120.8	93%	0.926	68%	0.676	S	S	*	*			trans	-84.4	119.5	149.6	-83.9	-170.6	177.3	-178.6	0	109.2	P220	P220-K222 PolarHBondContact O-N 3.39Å
223	Q	25.5	Very low	28.1	Very low	183 Å²	183	124.1 Å²	124.1	86%	0.855	70%	0.695	S	S	*	*			trans	-70.4	136.6	176.3	-71.7	172.8	-33	0	0	111.8
224	K	23.8	Very low	27.3	Very low	198 Å²	198	129.7 Å²	129.7	86%	0.861	72%	0.72	S	S	*	*			trans	41.2	126.6	146.9	-69.6	-175.8	175	-178.2	0	122
225	S	24.8	Very low	26.6	Very low	112 Å²	112	136.5 Å²	136.5	78%	0.783	76%	0.755	S	S	*	*			trans	63.2	127.3	151.8	58.2	0	0	0	0	116.7
226	V	27.1	Very low	25.9	Very low	141 Å²	141	137.8 Å²	137.8	86%	0.855	76%	0.759	S	S	*	*				-157	149.7	75.4	167.1	0	0	0	0	111.8
227	N	26.7	Very low	25.4	Very low	146 Å²	146	142.5 Å²	142.5	78%	0.781	78%	0.779	S	S	*	*			trans	-30.3	139.8	177.5	-100.8	-25.7	0	0	0	119.3
228	P	26.6	Very low	25.3	Very low	120 Å²	120	145 Å²	145	78%	0.779	79%	0.79	S	S	*	*			trans	-96.6	112.8	170.7	35	-24.9	0	0	0	111.2
229	K	24.3	Very low	25.2	Very low	194 Å²	194	147.4 Å²	147.4	84%	0.843	79%	0.785	S	S	*	*			trans	-149.4	97	162.8	-74.5	-167.1	-179.8	-177.4	0	109.8
230	S	25.7	Very low	25.6	Very low	123 Å²	123	148.6 Å²	148.6	86%	0.86	77%	0.773	S	S	*	*			trans	148.5	144.9	149.1	62	0	0	0	0	111.8
231	A	26.7	Very low	25.7	Very low	93 Å²	93	152.6 Å²	152.6	77%	0.769	78%	0.775	S	S	*	*			trans	81.3	91.6	174.5	0	0	0	0	0	114
232	M	24.6	Very low	26.2	Very low	186 Å²	186	147.2 Å²	147.2	92%	0.916	76%	0.763	S	S	*	*				59	127.6	68.4	-68.1	-63.7	-146	0	0	114
233	S	23.8	Very low	26.5	Very low	102 Å²	102	141.8 Å²	141.8	71%	0.713	74%	0.744	S	S	*	*			trans	-56.7	133.6	-170.6	51.6	0	0	0	0	115.7
234	E	25.1	Very low	26.8	Very low	161 Å²	161	137.7 Å²	137.7	75%	0.752	73%	0.725	S	S	*	*			trans	-141	113.8	149.2	-73.5	-173.2	161.4	0	0	109.2	I236	E234-I236 HydrophobicContact CB-CD1 4.04Å; E234-I236 HydrophobicContact CB-CG1 4.33Å
235	D	24.2	Very low	27.2	Very low	168 Å²	168	133.4 Å²	133.4	90%	0.898	71%	0.708	S	S	*	*			trans	-73	123	167.9	-75.6	-47.8	0	0	0	109
236	I	24.9	Very low	27.6	Very low	76 Å²	76	131.6 Å²	131.6	39%	0.39	69%	0.692	S	S	.	*			trans	-134.5	112.4	-178.9	-54.5	174.6	0	0	0	109	E234 S298	E234-I236 HydrophobicContact CB-CD1 4.04Å; E234-I236 HydrophobicContact CB-CG1 4.33Å; I236-S298 WeakPolarHBondContact CD1-OG 3.28Å; I236-S298 WeakPolarHBondContact CG2-OG 3.44Å
237	L	25.5	Very low	28	Very low	158 Å²	158	128.6 Å²	128.6	83%	0.827	67%	0.671	S	S	*	*			trans	-65.6	131.4	177.3	-144.1	83.2	0	0	0	110.3
238	F	26.1	Very low	28.2	Very low	146 Å²	146	126 Å²	126	64%	0.64	65%	0.654	S	S	*	*			trans	-93.4	100.2	174.9	-69	-83.6	0	0	0	110.2	V300	F238-V300 HydrophobicContact CE1-CB 4.22Å; F238-V300 HydrophobicContact CE1-CG2 3.8Å; F238-V300 HydrophobicContact CZ-CG2 4.17Å
239	D	24.1	Very low	28.4	Very low	123 Å²	123	128.2 Å²	128.2	66%	0.658	65%	0.647	S	S	*	*			trans	-87.4	121.5	158.4	-82.9	-26.9	0	0	0	108.2
240	Y	32.1	Very low	28.8	Very low	144 Å²	144	122.6 Å²	122.6	57%	0.565	63%	0.626	S	S	*	*			trans	-142.9	106.9	155.8	-97.1	-79.5	0	0	0	110	L299	Y240-L299 HydrophobicContact CE2-CD2 4.17Å; Y240-L299 WeakPolarHBondContact OH-CD2 3.48Å
241	Y	27.6	Very low	29.2	Very low	200 Å²	200	120.8 Å²	120.8	78%	0.784	61%	0.606	S	S	*	*			trans	-68.6	159.2	156.5	-82.2	-101.9	0	0	0	109.6
242	D	33.6	Very low	29.4	Very low	104 Å²	104	120.4 Å²	120.4	56%	0.556	59%	0.594	S	S	*	*			trans	84.9	72.7	174.4	-61.6	-24.6	0	0	0	118.5	E244 E245	D242-E244 PolarHBondContact O-N 3.4Å; D242-E245 HydrophobicContact CB-CB 4.35Å; D242-E245 PolarHBondContact O-N 3.32Å
243	D	34.3	Very low	29.9	Very low	100 Å²	100	115.5 Å²	115.5	54%	0.535	57%	0.568	S	S	.	*	H	α-helix	trans	-58.6	-21.4	160.2	-83	-51.2	0	0	0	112.8	R362	D243-R362 IonicContact OD1-NH2 2.77Å; D243-R362 PolarHBondContact OD1-NH2 2.95Å
244	E	32.3	Very low	30.3	Very low	97 Å²	97	113.5 Å²	113.5	45%	0.453	56%	0.557	S	S	.	*	H	α-helix	trans	-73.6	-34.5	177.7	-70.9	-164.5	162.9	0	0	113.8	D242 V246 D247 Q248	D242-E244 PolarHBondContact O-N 3.4Å; E244-V246 PolarHBondContact O-N 2.91Å; E244-D247 PolarHBondContact O-N 3.05Å; E244-Q248 WeakPolarHBondContact O-CB 3.28Å; E244-Q248 VanDerWaalsContact O-CG 3.23Å; E244-Q248 WeakPolarHBondContact O-CG 3.36Å; E244-Q248 PolarHBondContact O-N 3.29Å
245	E	31.4	Very low	30.5	Very low	108 Å²	108	108 Å²	108	51%	0.505	54%	0.537	S	S	.	.	H	α-helix	trans	-65.7	-41.5	-175.5	-107.4	-169.5	161.8	0	0	111.4	D242 Q248 W249	D242-E245 HydrophobicContact CB-CB 4.35Å; D242-E245 PolarHBondContact O-N 3.32Å; E245-Q248 WeakPolarHBondContact O-CB 3.49Å; E245-Q248 PolarHBondContact O-N 3.1Å; E245-W249 PolarHBondContact O-N 3.05Å
246	V	33.8	Very low	30.8	Very low	73 Å²	73	102.9 Å²	102.9	44%	0.442	52%	0.523	S	S	.	.	H	α-helix	trans	-70.1	-35.7	-178	-179.6	0	0	0	0	111.8	E244 W249 L250	E244-V246 PolarHBondContact O-N 2.91Å; V246-W249 PolarHBondContact O-N 3.27Å; V246-L250 HydrophobicContact CG1-CD1 4.49Å; V246-L250 PolarHBondContact O-N 3.15Å; V246-L250 VanDerWaalsContact O-N 3.15Å
247	D	34	Very low	31.1	Very low	79 Å²	79	104.7 Å²	104.7	42%	0.422	54%	0.541	S	S	.	.	H	α-helix	trans	-69	-39.1	174.5	-74.9	-10.5	0	0	0	110.7	E244 W249 L250 L251 R362	E244-D247 PolarHBondContact O-N 3.05Å; D247-W249 PolarHBondContact O-N 3.41Å; D247-L250 PolarHBondContact O-N 3.48Å; D247-L251 WeakPolarHBondContact O-CB 3.4Å; D247-L251 WeakPolarHBondContact O-CD1 3.27Å; D247-L251 WeakPolarHBondContact O-CG 3.34Å; D247-L251 PolarHBondContact O-N 2.87Å; D247-R362 IonicContact OD1-NH1 3.87Å
248	Q	30.9	Very low	31.2	Very low	92 Å²	92	105.6 Å²	105.6	43%	0.43	54%	0.539	S	S	.	.	H	α-helix	trans	-60.5	-41.3	171.5	-73.2	174.4	19.7	0	0	112.1	E244 E245 L251 V252	E244-Q248 WeakPolarHBondContact O-CB 3.28Å; E244-Q248 VanDerWaalsContact O-CG 3.23Å; E244-Q248 WeakPolarHBondContact O-CG 3.36Å; E244-Q248 PolarHBondContact O-N 3.29Å; E245-Q248 WeakPolarHBondContact O-CB 3.49Å; E245-Q248 PolarHBondContact O-N 3.1Å; Q248-L251 PolarHBondContact O-N 3.37Å; Q248-V252 WeakPolarHBondContact O-CB 3.26Å; Q248-V252 VanDerWaalsContact O-CG2 3.25Å; Q248-V252 WeakPolarHBondContact O-CG2 3.33Å; Q248-V252 PolarHBondContact O-N 3.24Å
249	W	31.7	Very low	31.2	Very low	166 Å²	166	107.6 Å²	107.6	63%	0.629	55%	0.55	S	S	*	*	H	α-helix	trans	-66.4	-37.1	177.7	-79.5	109.5	0	0	0	113.4	E245 V246 D247 F253	E245-W249 PolarHBondContact O-N 3.05Å; V246-W249 PolarHBondContact O-N 3.27Å; D247-W249 PolarHBondContact O-N 3.41Å; W249-F253 PolarHBondContact O-N 2.91Å
250	L	33.1	Very low	31.6	Very low	76 Å²	76	108 Å²	108	40%	0.398	55%	0.552	S	S	.	*	H	α-helix	trans	-69	-33.5	173.6	-79.2	160.6	0	0	0	112	V246 D247 F253 A254	V246-L250 HydrophobicContact CG1-CD1 4.49Å; V246-L250 PolarHBondContact O-N 3.15Å; V246-L250 VanDerWaalsContact O-N 3.15Å; D247-L250 PolarHBondContact O-N 3.48Å; L250-F253 WeakPolarHBondContact O-CB 3.39Å; L250-F253 PolarHBondContact O-N 3.07Å; L250-A254 PolarHBondContact O-N 2.88Å
251	L	33	Very low	31.3	Very low	84 Å²	84	107 Å²	107	44%	0.44	57%	0.566	S	S	.	*	H	α-helix	trans	-75.4	-38.3	176.9	-81.3	159.5	0	0	0	113.5	D247 Q248 F253 A254 S255 L277	D247-L251 WeakPolarHBondContact O-CB 3.4Å; D247-L251 WeakPolarHBondContact O-CD1 3.27Å; D247-L251 WeakPolarHBondContact O-CG 3.34Å; D247-L251 PolarHBondContact O-N 2.87Å; Q248-L251 PolarHBondContact O-N 3.37Å; L251-F253 PolarHBondContact O-N 2.69Å; L251-A254 PolarHBondContact O-N 3.11Å; L251-S255 PolarHBondContact O-N 2.95Å; L251-S255 VanDerWaalsContact O-N 3.12Å; L251-S255 PolarHBondContact O-OG 3.37Å; L251-L277 HydrophobicContact CD2-CD1 4.46Å
252	V	31.6	Very low	31.4	Very low	86 Å²	86	101.7 Å²	101.7	52%	0.521	56%	0.563	S	S	.	*	H	α-helix	trans	-60.4	-33.2	170	170.3	0	0	0	0	110.4	Q248 S255 G256	Q248-V252 WeakPolarHBondContact O-CB 3.26Å; Q248-V252 VanDerWaalsContact O-CG2 3.25Å; Q248-V252 WeakPolarHBondContact O-CG2 3.33Å; Q248-V252 PolarHBondContact O-N 3.24Å; V252-S255 WeakPolarHBondContact CA-OG 3.2Å; V252-S255 PolarHBondContact O-N 3.01Å; V252-S255 PolarHBondContact O-OG 3.38Å; V252-S255 VanDerWaalsContact O-OG 3.04Å; V252-G256 PolarHBondContact O-N 3.29Å; V252-G256 VanDerWaalsContact O-N 3.08Å
253	F	34.1	Very low	31.4	Very low	83 Å²	83	101.9 Å²	101.9	36%	0.364	56%	0.561	S	S	.	*	H	α-helix	trans	-72.3	-37.5	177.7	-147.1	-106.7	0	0	0	113.7	W249 L250 L251 S255 F310 M313	W249-F253 PolarHBondContact O-N 2.91Å; L250-F253 WeakPolarHBondContact O-CB 3.39Å; L250-F253 PolarHBondContact O-N 3.07Å; L251-F253 PolarHBondContact O-N 2.69Å; F253-S255 VanDerWaalsContact C-N 3.34Å; F253-F310 HydrophobicContact CD2-CE2 4.17Å; F253-F310 HydrophobicContact CE1-CE2 4.07Å; F253-F310 HydrophobicContact CE2-CD2 4Å; F253-F310 AromaticContact CE2-CE2 3.22Å; F253-F310 HydrophobicContact CE2-CE2 3.22Å; F253-F310 HydrophobicContact CE2-CZ 4.11Å; F253-F310 AromaticContact CZ-CD2 3.93Å; F253-F310 HydrophobicContact CZ-CD2 3.93Å; F253-F310 AromaticContact CZ-CE2 3.12Å; F253-F310 HydrophobicContact CZ-CE2 3.12Å; F253-F310 AromaticContact CZ-CZ 3.74Å; F253-F310 HydrophobicContact CZ-CZ 3.74Å; F253-M313 HydrophobicContact CD1-CE 4.4Å
254	A	32.5	Very low	31.2	Very low	60 Å²	60	107.5 Å²	107.5	50%	0.496	58%	0.575	S	S	.	*	H	α-helix	trans	-68.8	-31.3	174.3	0	0	0	0	0	112.8	L250 L251	L250-A254 PolarHBondContact O-N 2.88Å; L251-A254 PolarHBondContact O-N 3.11Å
255	S	29.9	Very low	31.2	Very low	46 Å²	46	112.4 Å²	112.4	32%	0.322	59%	0.594	S	S	.	*	H	α-helix	trans	-84.9	-17.8	179.2	53.8	0	0	0	0	114.1	L251 V252 F253 C257	L251-S255 PolarHBondContact O-N 2.95Å; L251-S255 VanDerWaalsContact O-N 3.12Å; L251-S255 PolarHBondContact O-OG 3.37Å; V252-S255 WeakPolarHBondContact CA-OG 3.2Å; V252-S255 PolarHBondContact O-N 3.01Å; V252-S255 PolarHBondContact O-OG 3.38Å; V252-S255 VanDerWaalsContact O-OG 3.04Å; F253-S255 VanDerWaalsContact C-N 3.34Å; S255-C257 VanDerWaalsContact C-N 3.33Å; S255-C257 PolarHBondContact O-N 2.82Å
256	G	30.3	Very low	31.4	Very low	59 Å²	59	113.2 Å²	113.2	61%	0.608	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-7.6	177.1	0	0	0	0	0	116	V252 K258	V252-G256 PolarHBondContact O-N 3.29Å; V252-G256 VanDerWaalsContact O-N 3.08Å; G256-K258 PolarHBondContact O-N 3.46Å
257	C	32.2	Very low	31.1	Very low	114 Å²	114	116.5 Å²	116.5	77%	0.77	60%	0.603	S	S	*	*			trans	-76.1	24.1	173.1	-67.8	0	0	0	0	113.5	S255 E259	S255-C257 VanDerWaalsContact C-N 3.33Å; S255-C257 PolarHBondContact O-N 2.82Å; C257-E259 PolarHBondContact O-N 3.01Å
258	K	25.7	Very low	30.9	Very low	178 Å²	178	119 Å²	119	77%	0.774	62%	0.616	S	S	*	*			trans	-82.3	85.3	172.7	-80	177.9	177.7	173.8	0	109.2	G256	G256-K258 PolarHBondContact O-N 3.46Å
259	E	27.2	Very low	31	Very low	188 Å²	188	121.1 Å²	121.1	88%	0.879	63%	0.629	S	S	*	*			trans	176.3	80.6	152.3	-101.9	166.5	-160.1	0	0	109.7	C257	C257-E259 PolarHBondContact O-N 3.01Å
260	D	31.7	Very low	30.9	Very low	131 Å²	131	117.6 Å²	117.6	70%	0.701	63%	0.626	S	S	*	*			trans	-160.1	134	140.8	-120.6	-24.2	0	0	0	112.6	A262	D260-A262 VanDerWaalsContact C-N 3.29Å; D260-A262 PolarHBondContact O-N 3.12Å; D260-A262 VanDerWaalsContact O-N 3.1Å
261	S	26.9	Very low	30.7	Very low	123 Å²	123	119.9 Å²	119.9	86%	0.86	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	21.2	-158.4	53.7	0	0	0	0	115.5
262	A	30.1	Very low	30.7	Very low	88 Å²	88	122.1 Å²	122.1	73%	0.727	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.5	-0.6	-162	0	0	0	0	0	118.6	D260	D260-A262 VanDerWaalsContact C-N 3.29Å; D260-A262 PolarHBondContact O-N 3.12Å; D260-A262 VanDerWaalsContact O-N 3.1Å
263	Q	32.8	Very low	30.6	Very low	108 Å²	108	122.6 Å²	122.6	51%	0.505	65%	0.648	S	S	.	*			trans	-128.3	88.6	-175.8	-75.9	176.5	-46.7	0	0	113.5	E266	Q263-E266 PolarHBondContact NE2-OE2 2.78Å; Q263-E266 PolarHBondContact OE1-OE2 2.79Å
264	R	29.3	Very low	30.4	Very low	219 Å²	219	121.4 Å²	121.4	83%	0.826	65%	0.645	S	S	*	*	S	Bend	trans	-81.7	-3.3	-179.9	-110.5	176.6	179.1	161.8	-0.3	115.1
265	K	33.3	Very low	30.2	Very low	199 Å²	199	121.9 Å²	121.9	87%	0.865	65%	0.645	S	S	*	*	S	Bend	trans	-111.3	-18.2	-175.8	-87.8	-177.5	173.7	-179.4	0	115.8
266	E	35.2	Very low	30.3	Very low	126 Å²	126	125.9 Å²	125.9	59%	0.589	66%	0.663	S	S	*	*	S	Bend	trans	-91.3	-3	177.1	-77.4	167.7	164.1	0	0	113.3	Q263 N268	Q263-E266 PolarHBondContact NE2-OE2 2.78Å; Q263-E266 PolarHBondContact OE1-OE2 2.79Å; E266-N268 VanDerWaalsContact C-N 3.27Å; E266-N268 PolarHBondContact O-N 2.81Å
267	R	27.3	Very low	30.2	Very low	141 Å²	141	127.8 Å²	127.8	53%	0.532	66%	0.658	S	S	.	*	H	α-helix	trans	-60.8	-28.5	178.4	-77.7	-178.9	175.8	177.5	-4.1	113.7	I269 H271	R267-I269 PolarHBondContact O-N 2.77Å; R267-H271 WeakPolarHBondContact O-CB 3.3Å; R267-H271 PolarHBondContact O-N 3.48Å
268	N	30.1	Very low	30	Very low	131 Å²	131	129.3 Å²	129.3	70%	0.701	66%	0.659	S	S	*	*	H	α-helix	trans	-78	-16	-167	-71.4	-7.7	0	0	0	115.7	E266 H272	E266-N268 VanDerWaalsContact C-N 3.27Å; E266-N268 PolarHBondContact O-N 2.81Å; N268-H272 WeakPolarHBondContact O-CB 3.44Å
269	I	31.9	Very low	30.2	Very low	138 Å²	138	127.6 Å²	127.6	71%	0.708	66%	0.657	S	S	*	*	H	α-helix	trans	-92	-44.6	-178.9	-62.2	172.2	0	0	0	110.2	R267 C273	R267-I269 PolarHBondContact O-N 2.77Å; I269-C273 PolarHBondContact O-N 3.29Å
270	V	30.5	Very low	30.1	Very low	91 Å²	91	127.5 Å²	127.5	55%	0.552	66%	0.657	S	S	*	*	H	α-helix	trans	-74.3	-36.7	178.4	179.6	0	0	0	0	111.3	H272 C273 L274	V270-H272 VanDerWaalsContact C-N 3.33Å; V270-H272 PolarHBondContact O-N 3.29Å; V270-C273 PolarHBondContact O-N 2.99Å; V270-L274 HydrophobicContact CG1-CD1 3.6Å; V270-L274 HydrophobicContact CG1-CG 4.42Å; V270-L274 WeakPolarHBondContact O-CB 3.25Å; V270-L274 WeakPolarHBondContact O-CD1 3.45Å; V270-L274 WeakPolarHBondContact O-CG 3.24Å; V270-L274 PolarHBondContact O-N 3.34Å
271	H	29.6	Very low	29.9	Very low	124 Å²	124	126.4 Å²	126.4	57%	0.574	66%	0.659	S	S	*	*	H	α-helix	trans	-77.4	-16.9	-178.7	-151	-60.5	0	0	0	113.5	R267 S275	R267-H271 WeakPolarHBondContact O-CB 3.3Å; R267-H271 PolarHBondContact O-N 3.48Å; H271-S275 VanDerWaalsContact O-CB 3.26Å; H271-S275 WeakPolarHBondContact O-CB 3.34Å; H271-S275 PolarHBondContact O-N 3.37Å; H271-S275 PolarHBondContact O-OG 2.84Å
272	H	31.8	Very low	29.9	Very low	132 Å²	132	126.1 Å²	126.1	61%	0.611	65%	0.652	S	S	*	*	H	α-helix	trans	-84.2	-29.4	173	-164.6	-8.2	0	0	0	112	N268 V270 L274 S275	N268-H272 WeakPolarHBondContact O-CB 3.44Å; V270-H272 VanDerWaalsContact C-N 3.33Å; V270-H272 PolarHBondContact O-N 3.29Å; H272-L274 VanDerWaalsContact C-N 3.33Å; H272-S275 PolarHBondContact O-OG 3Å
273	C	30.7	Very low	29.5	Very low	96 Å²	96	133 Å²	133	65%	0.649	66%	0.659	S	S	*	*	H	α-helix	trans	-79.4	-15.3	171.5	-67.2	0	0	0	0	113.3	I269 V270	I269-C273 PolarHBondContact O-N 3.29Å; V270-C273 PolarHBondContact O-N 2.99Å
274	L	28.6	Very low	29.2	Very low	58 Å²	58	139 Å²	139	30%	0.304	68%	0.679	S	S	.	*	H	α-helix	trans	-108	-12.3	-177.7	-68	173.1	0	0	0	114.1	V270 H272 D276	V270-L274 HydrophobicContact CG1-CD1 3.6Å; V270-L274 HydrophobicContact CG1-CG 4.42Å; V270-L274 WeakPolarHBondContact O-CB 3.25Å; V270-L274 WeakPolarHBondContact O-CD1 3.45Å; V270-L274 WeakPolarHBondContact O-CG 3.24Å; V270-L274 PolarHBondContact O-N 3.34Å; H272-L274 VanDerWaalsContact C-N 3.33Å; L274-D276 VanDerWaalsContact C-N 3.31Å
275	S	29.9	Very low	29	Very low	70 Å²	70	133 Å²	133	49%	0.49	67%	0.671	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.1	-13.3	-178.7	53.2	0	0	0	0	114.5	H271 H272	H271-S275 VanDerWaalsContact O-CB 3.26Å; H271-S275 WeakPolarHBondContact O-CB 3.34Å; H271-S275 PolarHBondContact O-N 3.37Å; H271-S275 PolarHBondContact O-OG 2.84Å; H272-S275 PolarHBondContact O-OG 3Å
276	D	31.4	Very low	28.6	Very low	130 Å²	130	128 Å²	128	70%	0.695	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	7	-174.8	-62.9	-9.5	0	0	0	112.3	L274	L274-D276 VanDerWaalsContact C-N 3.31Å
277	L	28.1	Very low	27.9	Very low	98 Å²	98	126.7 Å²	126.7	51%	0.513	68%	0.68	S	S	.	*	S	Bend	trans	-119	112.1	-176	-73.7	159.6	0	0	0	110.5	L251 L279	L251-L277 HydrophobicContact CD2-CD1 4.46Å; L277-L279 PolarHBondContact O-N 2.81Å
278	D	28.1	Very low	27.9	Very low	146 Å²	146	127.8 Å²	127.8	78%	0.781	70%	0.696	S	S	*	*			trans	-68.7	110.4	-178.8	-160.7	0.5	0	0	0	110.9
279	L	29.3	Very low	27.7	Very low	142 Å²	142	128 Å²	128	74%	0.743	70%	0.697	S	S	*	*			trans	-97.8	8.3	-166.6	-88.5	154.5	0	0	0	113.8	L277	L277-L279 PolarHBondContact O-N 2.81Å
280	E	25.6	Very low	27.2	Very low	186 Å²	186	130.1 Å²	130.1	87%	0.869	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-7.7	-172.2	-73.2	-159	156.4	0	0	116
281	S	26.5	Very low	27.1	Very low	108 Å²	108	130.4 Å²	130.4	76%	0.755	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	-7.4	-168.3	59.8	0	0	0	0	117.2	R283	S281-R283 PolarHBondContact O-N 2.84Å
282	V	27.3	Very low	26.9	Very low	117 Å²	117	130.5 Å²	130.5	71%	0.709	73%	0.726	S	S	*	*			trans	-102.3	87.1	-170.1	-169.1	0	0	0	0	112.5
283	R	21.8	Very low	26.7	Very low	232 Å²	232	128.4 Å²	128.4	88%	0.875	73%	0.727	S	S	*	*			trans	-128.3	107.7	161.4	-76.3	-174.1	-177	-179.7	3.4	109	S281	S281-R283 PolarHBondContact O-N 2.84Å
284	Y	26.9	Very low	26.5	Very low	235 Å²	235	128.3 Å²	128.3	92%	0.922	74%	0.741	S	S	*	*			trans	-152.2	150.3	157.7	-117.3	-82.9	0	0	0	115.3
285	S	24.4	Very low	26.4	Very low	93 Å²	93	132.9 Å²	132.9	65%	0.65	76%	0.761	S	S	*	*			trans	-95.1	139.8	-156.6	46.8	0	0	0	0	115.3	S287	S285-S287 PolarHBondContact O-N 3.36Å; S285-S287 VanDerWaalsContact O-N 3.16Å
286	G	24.6	Very low	26.2	Very low	93 Å²	93	137.8 Å²	137.8	96%	0.959	78%	0.781	S	S	*	*			trans	-77.3	85.1	-178.5	0	0	0	0	0	116.1
287	S	22.5	Very low	25.9	Very low	100 Å²	100	139.3 Å²	139.3	70%	0.699	78%	0.781	S	S	*	*			trans	-159.2	88.2	173.8	157.8	0	0	0	0	111.2	S285	S285-S287 PolarHBondContact O-N 3.36Å; S285-S287 VanDerWaalsContact O-N 3.16Å
288	L	25.6	Very low	25.8	Very low	163 Å²	163	137.1 Å²	137.1	85%	0.853	77%	0.774	S	S	*	*			trans	-175.4	127.9	160	-124.2	99.7	0	0	0	106.9
289	L	26.4	Very low	25.7	Very low	137 Å²	137	135.4 Å²	135.4	72%	0.717	76%	0.764	S	S	*	*			cis	-163.3	117.7	-6.4	-121.1	165.1	0	0	0	105.4	S291	L289-S291 PolarHBondContact O-N 3.36Å
290	M	22.3	Very low	25.7	Very low	181 Å²	181	132 Å²	132	89%	0.892	75%	0.75	S	S	*	*			trans	-66.4	119.7	155.7	-75.4	-88.8	108.7	0	0	107.1
291	S	27.7	Very low	26	Very low	97 Å²	97	126.7 Å²	126.7	68%	0.678	73%	0.727	S	S	*	*			trans	-124.6	122.6	164.3	73.3	0	0	0	0	110.8	L289 S293	L289-S291 PolarHBondContact O-N 3.36Å; S291-S293 PolarHBondContact O-N 3.25Å
292	S	26.3	Very low	26.1	Very low	127 Å²	127	124.8 Å²	124.8	89%	0.888	71%	0.712	S	S	*	*			trans	-82.2	82.8	-179	51.9	0	0	0	0	110.2
293	S	27.7	Very low	26.2	Very low	88 Å²	88	125.8 Å²	125.8	62%	0.615	70%	0.704	S	S	*	*	S	Bend	trans	-162.9	123.6	163.5	53.7	0	0	0	0	109.3	S291 E295	S291-S293 PolarHBondContact O-N 3.25Å; S293-E295 VanDerWaalsContact C-N 3.34Å; S293-E295 PolarHBondContact O-N 3.49Å
294	G	26.3	Very low	26.7	Very low	93 Å²	93	119.9 Å²	119.9	96%	0.959	69%	0.689	S	S	*	*			trans	-68.8	73.9	-169.6	0	0	0	0	0	116
295	E	25.8	Very low	27	Very low	155 Å²	155	112.3 Å²	112.3	72%	0.724	67%	0.67	S	S	*	*			trans	-120.4	114.5	161.1	-75.2	-176.2	170.6	0	0	108.8	S293 K297	S293-E295 VanDerWaalsContact C-N 3.34Å; S293-E295 PolarHBondContact O-N 3.49Å; E295-K297 VanDerWaalsContact C-N 3.27Å; E295-K297 PolarHBondContact O-N 2.98Å
296	L	24.9	Very low	27.6	Very low	172 Å²	172	110.8 Å²	110.8	90%	0.901	66%	0.663	S	S	*	*			trans	-74.7	77.4	179.4	-148.6	107.4	0	0	0	109	S298	L296-S298 PolarHBondContact O-N 2.65Å; L296-S298 VanDerWaalsContact O-N 3.1Å
297	K	26	Very low	28.4	Very low	162 Å²	162	107.1 Å²	107.1	70%	0.704	62%	0.623	S	S	*	*			trans	-70.6	104.7	169.8	-79.1	-174.7	177.9	179.8	0	109.4	E295 L299	E295-K297 VanDerWaalsContact C-N 3.27Å; E295-K297 PolarHBondContact O-N 2.98Å; K297-L299 HydrophobicContact CB-CD1 4.16Å; K297-L299 PolarHBondContact O-N 2.77Å
298	S	25.3	Very low	29.3	Very low	52 Å²	52	104.4 Å²	104.4	36%	0.364	60%	0.604	S	S	.	*			trans	-56.5	41.1	174.5	58.5	0	0	0	0	117.3	I236 L296 V300	I236-S298 WeakPolarHBondContact CD1-OG 3.28Å; I236-S298 WeakPolarHBondContact CG2-OG 3.44Å; L296-S298 PolarHBondContact O-N 2.65Å; L296-S298 VanDerWaalsContact O-N 3.1Å; S298-V300 PolarHBondContact O-N 2.77Å
299	L	25.9	Very low	30.1	Very low	110 Å²	110	100.9 Å²	100.9	58%	0.576	59%	0.589	S	S	*	*			trans	-69.6	116.2	166.4	-79.1	110	0	0	0	108.8	Y240 K297 D301	Y240-L299 HydrophobicContact CE2-CD2 4.17Å; Y240-L299 WeakPolarHBondContact OH-CD2 3.48Å; K297-L299 HydrophobicContact CB-CD1 4.16Å; K297-L299 PolarHBondContact O-N 2.77Å; L299-D301 VanDerWaalsContact C-N 3.27Å; L299-D301 PolarHBondContact O-N 3.15Å
300	V	30.9	Very low	31	Very low	72 Å²	72	96 Å²	96	44%	0.436	56%	0.563	S	S	.	*			trans	-61.1	102	158.6	174.1	0	0	0	0	105.6	F238 S298 P302	F238-V300 HydrophobicContact CE1-CB 4.22Å; F238-V300 HydrophobicContact CE1-CG2 3.8Å; F238-V300 HydrophobicContact CZ-CG2 4.17Å; S298-V300 PolarHBondContact O-N 2.77Å; V300-P302 WeakPolarHBondContact O-CD 3.49Å; V300-P302 VanDerWaalsContact O-N 3.15Å
301	D	30.3	Very low	32	Very low	73 Å²	73	89.3 Å²	89.3	39%	0.39	53%	0.533	S	S	.	.			trans	-50.4	117.8	-178	-177.8	0.3	0	0	0	109.5	L299 Y303 I304	L299-D301 VanDerWaalsContact C-N 3.27Å; L299-D301 PolarHBondContact O-N 3.15Å; D301-Y303 PolarHBondContact O-N 2.77Å; D301-Y303 WeakPolarHBondContact OD1-CB 3.36Å; D301-Y303 PolarHBondContact OD1-N 2.89Å; D301-I304 HydrophobicContact CB-CD1 3.9Å; D301-I304 HydrophobicContact CB-CG1 3.97Å; D301-I304 WeakPolarHBondContact O-CB 3.45Å; D301-I304 PolarHBondContact O-N 2.99Å
302	P	28.7	Very low	32.8	Very low	69 Å²	69	91.5 Å²	91.5	45%	0.448	53%	0.527	S	S	.	.	H	α-helix	trans	-54	-23.6	177.1	15.3	-26.2	0	0	0	112.3	V300 I304 C305 A306	V300-P302 WeakPolarHBondContact O-CD 3.49Å; V300-P302 VanDerWaalsContact O-N 3.15Å; P302-I304 VanDerWaalsContact C-N 3.35Å; P302-I304 PolarHBondContact O-N 3.4Å; P302-C305 PolarHBondContact O-N 2.93Å; P302-A306 WeakPolarHBondContact O-CB 3.41Å; P302-A306 PolarHBondContact O-N 3.24Å
303	Y	29.5	Very low	33.9	Very low	138 Å²	138	88.4 Å²	88.4	54%	0.541	50%	0.499	S	S	.	.	H	α-helix	trans	-60.7	-36.8	169.1	-104.2	-98.8	0	0	0	113.6	D301 A307	D301-Y303 PolarHBondContact O-N 2.77Å; D301-Y303 WeakPolarHBondContact OD1-CB 3.36Å; D301-Y303 PolarHBondContact OD1-N 2.89Å; Y303-A307 WeakPolarHBondContact O-CB 3.42Å; Y303-A307 PolarHBondContact O-N 3.28Å
304	I	32.6	Very low	34.7	Very low	108 Å²	108	84.4 Å²	84.4	55%	0.554	47%	0.471	S	S	*	.	H	α-helix	trans	-70.9	-38.8	179.9	-64.4	173.1	0	0	0	110.6	D301 P302 S308	D301-I304 HydrophobicContact CB-CD1 3.9Å; D301-I304 HydrophobicContact CB-CG1 3.97Å; D301-I304 WeakPolarHBondContact O-CB 3.45Å; D301-I304 PolarHBondContact O-N 2.99Å; P302-I304 VanDerWaalsContact C-N 3.35Å; P302-I304 PolarHBondContact O-N 3.4Å; I304-S308 VanDerWaalsContact O-CB 3.31Å; I304-S308 WeakPolarHBondContact O-CB 3.47Å; I304-S308 PolarHBondContact O-N 2.88Å
305	C	33.5	Very low	35.5	Very low	76 Å²	76	86.9 Å²	86.9	51%	0.514	45%	0.452	S	S	.	.	H	α-helix	trans	-66.9	-48	174.4	-95.1	0	0	0	0	111.5	P302 A307 S308 V309	P302-C305 PolarHBondContact O-N 2.93Å; C305-A307 PolarHBondContact O-N 2.96Å; C305-S308 PolarHBondContact O-N 3.46Å; C305-V309 WeakPolarHBondContact O-CG2 3.26Å; C305-V309 PolarHBondContact O-N 3.03Å
306	A	38.2	Very low	36.4	Very low	61 Å²	61	82.4 Å²	82.4	50%	0.504	44%	0.435	S	S	.	.	H	α-helix	trans	-60.7	-43.8	176.2	0	0	0	0	0	111.8	P302 S308 V309 F310	P302-A306 WeakPolarHBondContact O-CB 3.41Å; P302-A306 PolarHBondContact O-N 3.24Å; A306-S308 PolarHBondContact O-N 3.16Å; A306-V309 PolarHBondContact O-N 2.81Å; A306-F310 WeakPolarHBondContact O-CB 3.42Å; A306-F310 PolarHBondContact O-N 3.23Å
307	A	39.5	Very low	37.3	Very low	16 Å²	16	75.7 Å²	75.7	13%	0.132	40%	0.4	C	S	.	.	H	α-helix	trans	-60.7	-41.6	175.5	0	0	0	0	0	113.5	Y303 C305 S311 Y333	Y303-A307 WeakPolarHBondContact O-CB 3.42Å; Y303-A307 PolarHBondContact O-N 3.28Å; C305-A307 PolarHBondContact O-N 2.96Å; A307-S311 WeakPolarHBondContact O-CB 3.25Å; A307-S311 PolarHBondContact O-N 3.18Å; A307-S311 PolarHBondContact O-OG 3.05Å; A307-Y333 HydrophobicContact CB-CE2 3.43Å; A307-Y333 VanDerWaalsContact CB-CE2 3.43Å; A307-Y333 WeakPolarHBondContact CB-OH 3.36Å
308	S	41.6	Very low	37.9	Very low	42 Å²	42	75 Å²	75	29%	0.294	40%	0.399	S	S	.	.	H	α-helix	trans	-68.5	-42.4	177.1	171.3	0	0	0	0	111.6	I304 C305 A306 S311 R312	I304-S308 VanDerWaalsContact O-CB 3.31Å; I304-S308 WeakPolarHBondContact O-CB 3.47Å; I304-S308 PolarHBondContact O-N 2.88Å; C305-S308 PolarHBondContact O-N 3.46Å; A306-S308 PolarHBondContact O-N 3.16Å; S308-S311 PolarHBondContact O-OG 3.4Å; S308-R312 VanDerWaalsContact O-CB 3.28Å; S308-R312 WeakPolarHBondContact O-CB 3.08Å; S308-R312 WeakPolarHBondContact O-CD 3.18Å; S308-R312 WeakPolarHBondContact O-CG 3.42Å; S308-R312 PolarHBondContact O-N 2.87Å; S308-R312 PolarHBondContact OG-NE 2.7Å
309	V	43.5	Very low	38.6	Very low	90 Å²	90	75 Å²	75	55%	0.545	40%	0.395	S	S	.	.	H	α-helix	trans	-65.7	-46.5	175.7	173.6	0	0	0	0	110.2	C305 A306 R312 M313	C305-V309 WeakPolarHBondContact O-CG2 3.26Å; C305-V309 PolarHBondContact O-N 3.03Å; A306-V309 PolarHBondContact O-N 2.81Å; V309-R312 PolarHBondContact O-N 3.37Å; V309-M313 VanDerWaalsContact O-CB 3.23Å; V309-M313 WeakPolarHBondContact O-CB 3.43Å; V309-M313 PolarHBondContact O-N 3.23Å
310	F	45.1	Very low	39.1	Very low	35 Å²	35	73.1 Å²	73.1	15%	0.154	39%	0.387	C	S	.	.	H	α-helix	trans	-59.1	-53.7	178.4	-177.5	-80.9	0	0	0	112.4	F253 A306 R312 M313 C314 C321 Y333 V335	F253-F310 HydrophobicContact CD2-CE2 4.17Å; F253-F310 HydrophobicContact CE1-CE2 4.07Å; F253-F310 HydrophobicContact CE2-CD2 4Å; F253-F310 AromaticContact CE2-CE2 3.22Å; F253-F310 HydrophobicContact CE2-CE2 3.22Å; F253-F310 HydrophobicContact CE2-CZ 4.11Å; F253-F310 AromaticContact CZ-CD2 3.93Å; F253-F310 HydrophobicContact CZ-CD2 3.93Å; F253-F310 AromaticContact CZ-CE2 3.12Å; F253-F310 HydrophobicContact CZ-CE2 3.12Å; F253-F310 AromaticContact CZ-CZ 3.74Å; F253-F310 HydrophobicContact CZ-CZ 3.74Å; A306-F310 WeakPolarHBondContact O-CB 3.42Å; A306-F310 PolarHBondContact O-N 3.23Å; F310-R312 VanDerWaalsContact C-N 3.26Å; F310-R312 PolarHBondContact O-N 3.49Å; F310-M313 PolarHBondContact O-N 2.96Å; F310-C314 WeakPolarHBondContact CE1-SG 3.22Å; F310-C314 WeakPolarHBondContact O-CB 3.29Å; F310-C314 PolarHBondContact O-N 3.28Å; F310-C314 PolarHBondContact O-SG 3.05Å; F310-C314 VanDerWaalsContact O-SG 3.38Å; F310-C321 HydrophobicContact CD1-CB 4.37Å; F310-C321 HydrophobicContact CE1-CB 3.72Å; F310-Y333 AromaticContact CD1-CD1 3.79Å; F310-Y333 HydrophobicContact CD1-CD1 3.79Å; F310-Y333 HydrophobicContact CD1-CD2 4.36Å; F310-Y333 AromaticContact CD1-CG 3.69Å; F310-Y333 HydrophobicContact CD1-CG 3.69Å; F310-Y333 AromaticContact CE1-CD1 3.91Å; F310-Y333 HydrophobicContact CE1-CD1 3.91Å; F310-Y333 AromaticContact CE1-CG 3.76Å; F310-Y333 HydrophobicContact CE1-CG 3.76Å; F310-Y333 HydrophobicContact CG-CG 4.43Å; F310-Y333 HydrophobicContact CZ-CG 4.45Å; F310-V335 HydrophobicContact CZ-CG2 4.41Å
311	S	43.8	Very low	39.5	Very low	40 Å²	40	71.5 Å²	71.5	28%	0.28	38%	0.378	S	S	.	.	H	α-helix	trans	-62.5	-34.8	-179	58.9	0	0	0	0	112.4	A307 S308 Y315	A307-S311 WeakPolarHBondContact O-CB 3.25Å; A307-S311 PolarHBondContact O-N 3.18Å; A307-S311 PolarHBondContact O-OG 3.05Å; S308-S311 PolarHBondContact O-OG 3.4Å; S311-Y315 WeakPolarHBondContact O-CB 3.18Å; S311-Y315 PolarHBondContact O-N 3.15Å
312	R	44.9	Very low	39.7	Very low	143 Å²	143	72.2 Å²	72.2	54%	0.54	38%	0.381	S	S	.	.	H	α-helix	trans	-77.9	-31	176.9	-68.6	174	-172.8	-156.4	3.9	112.5	S308 V309 F310 Y315 V316	S308-R312 VanDerWaalsContact O-CB 3.28Å; S308-R312 WeakPolarHBondContact O-CB 3.08Å; S308-R312 WeakPolarHBondContact O-CD 3.18Å; S308-R312 WeakPolarHBondContact O-CG 3.42Å; S308-R312 PolarHBondContact O-N 2.87Å; S308-R312 PolarHBondContact OG-NE 2.7Å; V309-R312 PolarHBondContact O-N 3.37Å; F310-R312 VanDerWaalsContact C-N 3.26Å; F310-R312 PolarHBondContact O-N 3.49Å; R312-Y315 WeakPolarHBondContact O-CB 3.5Å; R312-Y315 PolarHBondContact O-N 2.94Å; R312-V316 VanDerWaalsContact O-CG2 3.27Å; R312-V316 WeakPolarHBondContact O-CG2 3.38Å; R312-V316 PolarHBondContact O-N 2.83Å
313	M	48.3	Very low	40.3	Very low	62 Å²	62	73.9 Å²	73.9	31%	0.305	38%	0.381	S	S	.	.	H	α-helix	trans	-70.2	-43	171.8	-165	171.1	125.5	0	0	110.3	F253 V309 F310 Y315 V316 L317	F253-M313 HydrophobicContact CD1-CE 4.4Å; V309-M313 VanDerWaalsContact O-CB 3.23Å; V309-M313 WeakPolarHBondContact O-CB 3.43Å; V309-M313 PolarHBondContact O-N 3.23Å; F310-M313 PolarHBondContact O-N 2.96Å; M313-Y315 VanDerWaalsContact C-N 3.28Å; M313-Y315 PolarHBondContact O-N 3.43Å; M313-V316 PolarHBondContact O-N 2.83Å; M313-L317 HydrophobicContact CE-CD1 4.06Å; M313-L317 HydrophobicContact CG-CD1 4Å; M313-L317 WeakPolarHBondContact O-CB 3.39Å; M313-L317 VanDerWaalsContact O-CG 3.24Å; M313-L317 WeakPolarHBondContact O-CG 3.44Å; M313-L317 PolarHBondContact O-N 2.97Å
314	C	44.6	Very low	40.9	Very low	3 Å²	3	68.9 Å²	68.9	2%	0.02	37%	0.365	C	S	.	.	H	α-helix	trans	-57.4	-42	168.6	-71.8	0	0	0	0	111.4	F310 L317 E318 M319 C321	F310-C314 WeakPolarHBondContact CE1-SG 3.22Å; F310-C314 WeakPolarHBondContact O-CB 3.29Å; F310-C314 PolarHBondContact O-N 3.28Å; F310-C314 PolarHBondContact O-SG 3.05Å; F310-C314 VanDerWaalsContact O-SG 3.38Å; C314-L317 CarbonylContact O-C 3.58Å; C314-L317 PolarHBondContact O-N 3.18Å; C314-E318 CarbonylContact O-C 3.54Å; C314-E318 PolarHBondContact O-N 3.25Å; C314-M319 HydrophobicContact CB-CB 3.91Å; C314-M319 WeakPolarHBondContact CB-O 3.42Å; C314-M319 PolarHBondContact O-N 2.81Å; C314-C321 HydrophobicContact CB-CB 4.05Å
315	Y	43.6	Very low	41.2	Very low	146 Å²	146	67.7 Å²	67.7	57%	0.573	37%	0.366	S	S	*	.	H	α-helix	trans	-62	-44.6	174.1	-177.9	-97.6	0	0	0	112.9	S311 R312 M313 L317 E318	S311-Y315 WeakPolarHBondContact O-CB 3.18Å; S311-Y315 PolarHBondContact O-N 3.15Å; R312-Y315 WeakPolarHBondContact O-CB 3.5Å; R312-Y315 PolarHBondContact O-N 2.94Å; M313-Y315 VanDerWaalsContact C-N 3.28Å; M313-Y315 PolarHBondContact O-N 3.43Å; Y315-L317 VanDerWaalsContact C-N 3.27Å; Y315-L317 PolarHBondContact O-N 3.35Å; Y315-E318 PolarHBondContact O-N 3.15Å
316	V	44	Very low	41.7	Very low	61 Å²	61	68 Å²	68	37%	0.37	36%	0.363	S	S	.	.	H	α-helix	trans	-65.3	-31.6	176.5	168.8	0	0	0	0	111.9	R312 M313	R312-V316 VanDerWaalsContact O-CG2 3.27Å; R312-V316 WeakPolarHBondContact O-CG2 3.38Å; R312-V316 PolarHBondContact O-N 2.83Å; M313-V316 PolarHBondContact O-N 2.83Å
317	L	43.8	Very low	41.9	Very low	30 Å²	30	74.9 Å²	74.9	16%	0.157	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	8.2	179.8	-63.7	174.4	0	0	0	113.4	M313 C314 Y315 M319 W347	M313-L317 HydrophobicContact CE-CD1 4.06Å; M313-L317 HydrophobicContact CG-CD1 4Å; M313-L317 WeakPolarHBondContact O-CB 3.39Å; M313-L317 VanDerWaalsContact O-CG 3.24Å; M313-L317 WeakPolarHBondContact O-CG 3.44Å; M313-L317 PolarHBondContact O-N 2.97Å; C314-L317 CarbonylContact O-C 3.58Å; C314-L317 PolarHBondContact O-N 3.18Å; Y315-L317 VanDerWaalsContact C-N 3.27Å; Y315-L317 PolarHBondContact O-N 3.35Å; L317-M319 HydrophobicContact CB-CE 4.41Å; L317-M319 HydrophobicContact CB-CG 3.97Å; L317-M319 HydrophobicContact CB-SD 4.32Å; L317-M319 HydrophobicContact CD1-CE 4.3Å; L317-M319 HydrophobicContact CD1-SD 4.36Å; L317-M319 PolarHBondContact O-N 2.84Å; L317-M319 VanDerWaalsContact O-N 3.09Å; L317-W347 HydrophobicContact CD2-CH2 3.91Å; L317-W347 HydrophobicContact CD2-CZ2 3.78Å
318	E	37.8	Very low	42	Very low	148 Å²	148	80.6 Å²	80.6	69%	0.692	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	26.7	-173.6	-60.3	-171.3	159.2	0	0	114.4	C314 Y315	C314-E318 CarbonylContact O-C 3.54Å; C314-E318 PolarHBondContact O-N 3.25Å; Y315-E318 PolarHBondContact O-N 3.15Å
319	M	40.3	Very low	41.8	Very low	53 Å²	53	85.4 Å²	85.4	26%	0.261	44%	0.435	S	S	.	.			trans	-84.1	131	174.8	-63.9	-175.1	173.4	0	0	110.3	C314 L317 C321 V335 L341	C314-M319 HydrophobicContact CB-CB 3.91Å; C314-M319 WeakPolarHBondContact CB-O 3.42Å; C314-M319 PolarHBondContact O-N 2.81Å; L317-M319 HydrophobicContact CB-CE 4.41Å; L317-M319 HydrophobicContact CB-CG 3.97Å; L317-M319 HydrophobicContact CB-SD 4.32Å; L317-M319 HydrophobicContact CD1-CE 4.3Å; L317-M319 HydrophobicContact CD1-SD 4.36Å; L317-M319 PolarHBondContact O-N 2.84Å; L317-M319 VanDerWaalsContact O-N 3.09Å; M319-C321 PolarHBondContact O-N 2.82Å; M319-V335 HydrophobicContact CB-CG1 4.24Å; M319-V335 HydrophobicContact SD-CG1 4.44Å; M319-V335 HydrophobicContact SD-CG2 4.34Å; M319-L341 HydrophobicContact CE-CD1 3.72Å; M319-L341 HydrophobicContact CE-CD2 3.67Å; M319-L341 HydrophobicContact CE-CG 4.21Å
320	V	36.6	Very low	41.5	Very low	70 Å²	70	86.4 Å²	86.4	42%	0.424	44%	0.437	S	S	.	.			trans	-77.6	110.9	168.7	-177.4	0	0	0	0	107.7	V335 L336	V320-V335 CarbonylContact O-C 3.52Å; V320-V335 WeakPolarHBondContact O-CA 3.41Å; V320-L336 HydrophobicContact CB-CB 4.11Å; V320-L336 HydrophobicContact CG1-CB 3.91Å; V320-L336 HydrophobicContact CG1-CD1 3.65Å; V320-L336 HydrophobicContact CG1-CG 4.25Å; V320-L336 PolarHBondContact O-N 2.82Å
321	C	38.9	Very low	41.3	Very low	37 Å²	37	88 Å²	88	25%	0.25	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	136.6	168.3	63.2	0	0	0	0	110.6	F310 C314 M319 Y333 R334	F310-C321 HydrophobicContact CD1-CB 4.37Å; F310-C321 HydrophobicContact CE1-CB 3.72Å; C314-C321 HydrophobicContact CB-CB 4.05Å; M319-C321 PolarHBondContact O-N 2.82Å; C321-Y333 HydrophobicContact CB-CD1 4.27Å; C321-R334 CarbonylContact C-O 3.5Å; C321-R334 WeakPolarHBondContact CA-O 3.22Å
322	M	35.6	Very low	41.1	Very low	89 Å²	89	87.9 Å²	87.9	44%	0.438	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	134.4	164.9	-90	-172.2	68.5	0	0	110	Y333 R334 L336	M322-Y333 WeakPolarHBondContact O-CA 3.44Å; M322-R334 PolarHBondContact N-O 3.05Å; M322-R334 PolarHBondContact O-N 3.34Å; M322-L336 HydrophobicContact CB-CD1 4.36Å; M322-L336 HydrophobicContact CB-CG 4.16Å; M322-L336 HydrophobicContact CG-CD1 3.45Å; M322-L336 VanDerWaalsContact CG-CD1 3.45Å; M322-L336 HydrophobicContact CG-CD2 4.37Å; M322-L336 HydrophobicContact CG-CG 3.79Å; M322-L336 HydrophobicContact SD-CD1 3.33Å; M322-L336 WeakPolarHBondContact SD-CD1 3.41Å; M322-L336 HydrophobicContact SD-CD2 3.83Å; M322-L336 HydrophobicContact SD-CG 3.82Å
323	F	40.7	Very low	40.8	Very low	103 Å²	103	84.7 Å²	84.7	45%	0.452	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	119.9	163.2	-177.7	-102.7	0	0	0	108.2	N331 Y333	F323-N331 HydrophobicContact CE2-CB 3.95Å; F323-N331 HydrophobicContact CZ-CB 3.97Å; F323-N331 WeakPolarHBondContact CZ-OD1 3.41Å; F323-Y333 HydrophobicContact CB-CD1 4.49Å; F323-Y333 HydrophobicContact CB-CE1 4.1Å; F323-Y333 HydrophobicContact CD2-CD2 4.32Å; F323-Y333 HydrophobicContact CD2-CE1 4.13Å; F323-Y333 AromaticContact CD2-CE2 3.77Å; F323-Y333 HydrophobicContact CD2-CE2 3.77Å; F323-Y333 AromaticContact CD2-CZ 3.66Å; F323-Y333 HydrophobicContact CE2-CE2 4.26Å
324	T	41.5	Very low	40.4	Very low	34 Å²	34	88.9 Å²	88.9	21%	0.209	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	115.5	172.9	50	0	0	0	0	108.6	S332	T324-S332 PolarHBondContact N-O 2.83Å; T324-S332 PolarHBondContact O-N 3.26Å; T324-S332 PolarHBondContact OG1-O 2.87Å; T324-S332 VanDerWaalsContact OG1-O 3.07Å; T324-S332 PolarHBondContact OG1-OG 2.97Å
325	S	40.3	Very low	40.3	Very low	83 Å²	83	91.5 Å²	91.5	58%	0.58	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	105.6	163.6	62.8	0	0	0	0	107.6
326	D	44	Very low	39.8	Very low	82 Å²	82	87.6 Å²	87.6	44%	0.439	45%	0.452	S	S	.	.			trans	-73.8	153.2	168.5	-78	-24.7	0	0	0	109.5	N328 D329	D326-N328 PolarHBondContact O-N 3.17Å; D326-D329 PolarHBondContact O-N 2.87Å
327	H	42.1	Very low	39.3	Very low	205 Å²	205	90.2 Å²	90.2	95%	0.949	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-3.2	179.2	-79.6	-65.1	0	0	0	115.3
328	N	40.7	Very low	38.7	Very low	137 Å²	137	93 Å²	93	73%	0.733	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	26	-178.2	-68.8	-11.6	0	0	0	113.1	D326 N330	D326-N328 PolarHBondContact O-N 3.17Å; N328-N330 PolarHBondContact O-N 3.17Å
329	D	38.5	Very low	38.2	Very low	142 Å²	142	94.5 Å²	94.5	76%	0.759	49%	0.491	S	S	*	.	S	Bend	trans	58.6	11.8	-177.9	-72.6	-32.6	0	0	0	115.6	D326 N331	D326-D329 PolarHBondContact O-N 2.87Å; D329-N331 PolarHBondContact O-N 2.77Å
330	N	36.5	Very low	37.7	Very low	111 Å²	111	100.1 Å²	100.1	59%	0.594	51%	0.514	S	S	*	.			trans	-81.4	87.6	172.4	-83.8	-13.7	0	0	0	110	N328 S332	N328-N330 PolarHBondContact O-N 3.17Å; N330-S332 PolarHBondContact O-N 3.14Å
331	N	41.9	Very low	37.5	Very low	69 Å²	69	100.3 Å²	100.3	37%	0.369	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	113.5	170.3	-69	-31.5	0	0	0	109.5	F323 D329	F323-N331 HydrophobicContact CE2-CB 3.95Å; F323-N331 HydrophobicContact CZ-CB 3.97Å; F323-N331 WeakPolarHBondContact CZ-OD1 3.41Å; D329-N331 PolarHBondContact O-N 2.77Å
332	S	39.3	Very low	37.2	Very low	38 Å²	38	105.5 Å²	105.5	27%	0.266	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	145.5	175.8	58.5	0	0	0	0	111.4	T324 N330	T324-S332 PolarHBondContact N-O 2.83Å; T324-S332 PolarHBondContact O-N 3.26Å; T324-S332 PolarHBondContact OG1-O 2.87Å; T324-S332 VanDerWaalsContact OG1-O 3.07Å; T324-S332 PolarHBondContact OG1-OG 2.97Å; N330-S332 PolarHBondContact O-N 3.14Å
333	Y	39	Very low	37.4	Very low	76 Å²	76	104.2 Å²	104.2	30%	0.298	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	131	166.4	-75.7	-93.4	0	0	0	109.1	A307 F310 C321 M322 F323	A307-Y333 HydrophobicContact CB-CE2 3.43Å; A307-Y333 VanDerWaalsContact CB-CE2 3.43Å; A307-Y333 WeakPolarHBondContact CB-OH 3.36Å; F310-Y333 AromaticContact CD1-CD1 3.79Å; F310-Y333 HydrophobicContact CD1-CD1 3.79Å; F310-Y333 HydrophobicContact CD1-CD2 4.36Å; F310-Y333 AromaticContact CD1-CG 3.69Å; F310-Y333 HydrophobicContact CD1-CG 3.69Å; F310-Y333 AromaticContact CE1-CD1 3.91Å; F310-Y333 HydrophobicContact CE1-CD1 3.91Å; F310-Y333 AromaticContact CE1-CG 3.76Å; F310-Y333 HydrophobicContact CE1-CG 3.76Å; F310-Y333 HydrophobicContact CG-CG 4.43Å; F310-Y333 HydrophobicContact CZ-CG 4.45Å; C321-Y333 HydrophobicContact CB-CD1 4.27Å; M322-Y333 WeakPolarHBondContact O-CA 3.44Å; F323-Y333 HydrophobicContact CB-CD1 4.49Å; F323-Y333 HydrophobicContact CB-CE1 4.1Å; F323-Y333 HydrophobicContact CD2-CD2 4.32Å; F323-Y333 HydrophobicContact CD2-CE1 4.13Å; F323-Y333 AromaticContact CD2-CE2 3.77Å; F323-Y333 HydrophobicContact CD2-CE2 3.77Å; F323-Y333 AromaticContact CD2-CZ 3.66Å; F323-Y333 HydrophobicContact CE2-CE2 4.26Å
334	R	38.7	Very low	37.3	Very low	149 Å²	149	100.9 Å²	100.9	56%	0.562	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.2	136.4	170.5	-62.8	-168.9	-170.5	-151.2	5.6	109.9	C321 M322 L336	C321-R334 CarbonylContact C-O 3.5Å; C321-R334 WeakPolarHBondContact CA-O 3.22Å; M322-R334 PolarHBondContact N-O 3.05Å; M322-R334 PolarHBondContact O-N 3.34Å; R334-L336 PolarHBondContact O-N 3.32Å
335	V	41.9	Very low	37.1	Very low	59 Å²	59	108.1 Å²	108.1	36%	0.358	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	118.9	168.1	179.8	0	0	0	0	107.6	F310 M319 V320 N337	F310-V335 HydrophobicContact CZ-CG2 4.41Å; M319-V335 HydrophobicContact CB-CG1 4.24Å; M319-V335 HydrophobicContact SD-CG1 4.44Å; M319-V335 HydrophobicContact SD-CG2 4.34Å; V320-V335 CarbonylContact O-C 3.52Å; V320-V335 WeakPolarHBondContact O-CA 3.41Å; V335-N337 PolarHBondContact O-N 2.83Å
336	L	32.9	Very low	37.1	Very low	63 Å²	63	105 Å²	105	33%	0.33	52%	0.522	S	S	.	.			trans	-76.9	116.3	175.7	-78.2	-178.9	0	0	0	109.4	V320 M322 R334	V320-L336 HydrophobicContact CB-CB 4.11Å; V320-L336 HydrophobicContact CG1-CB 3.91Å; V320-L336 HydrophobicContact CG1-CD1 3.65Å; V320-L336 HydrophobicContact CG1-CG 4.25Å; V320-L336 PolarHBondContact O-N 2.82Å; M322-L336 HydrophobicContact CB-CD1 4.36Å; M322-L336 HydrophobicContact CB-CG 4.16Å; M322-L336 HydrophobicContact CG-CD1 3.45Å; M322-L336 VanDerWaalsContact CG-CD1 3.45Å; M322-L336 HydrophobicContact CG-CD2 4.37Å; M322-L336 HydrophobicContact CG-CG 3.79Å; M322-L336 HydrophobicContact SD-CD1 3.33Å; M322-L336 WeakPolarHBondContact SD-CD1 3.41Å; M322-L336 HydrophobicContact SD-CD2 3.83Å; M322-L336 HydrophobicContact SD-CG 3.82Å; R334-L336 PolarHBondContact O-N 3.32Å
337	N	34.1	Very low	37	Very low	116 Å²	116	105 Å²	105	62%	0.62	52%	0.516	S	S	*	.	S	Bend	trans	79.5	138.3	173.1	-50.7	-43.6	0	0	0	114.7	V335 W339	V335-N337 PolarHBondContact O-N 2.83Å; N337-W339 VanDerWaalsContact C-N 3.3Å; N337-W339 PolarHBondContact O-N 2.78Å
338	A	31.4	Very low	36.9	Very low	89 Å²	89	101.6 Å²	101.6	74%	0.736	51%	0.505	S	S	*	.			trans	-69.8	85.7	169.1	0	0	0	0	0	109.2
339	W	27.9	Very low	37	Very low	180 Å²	180	96.5 Å²	96.5	68%	0.682	48%	0.48	S	S	*	.			trans	-82.5	130.7	169.3	-71.1	54.7	0	0	0	107.2	N337 L341	N337-W339 VanDerWaalsContact C-N 3.3Å; N337-W339 PolarHBondContact O-N 2.78Å; W339-L341 PolarHBondContact O-N 3.19Å
340	K	29.8	Very low	36.9	Very low	170 Å²	170	96.2 Å²	96.2	74%	0.739	49%	0.486	S	S	*	.			trans	-59.4	98.7	158.7	-94.5	-176.7	174.2	179.1	0	106.5	N342	K340-N342 VanDerWaalsContact C-N 3.3Å; K340-N342 PolarHBondContact O-N 2.81Å
341	L	32.3	Very low	37	Very low	74 Å²	74	96.1 Å²	96.1	39%	0.387	49%	0.489	S	S	.	.			trans	-64	97.8	171.4	-170.7	71.2	0	0	0	106.6	M319 W339 L343	M319-L341 HydrophobicContact CE-CD1 3.72Å; M319-L341 HydrophobicContact CE-CD2 3.67Å; M319-L341 HydrophobicContact CE-CG 4.21Å; W339-L341 PolarHBondContact O-N 3.19Å; L341-L343 HydrophobicContact CD2-CD2 3.31Å; L341-L343 HydrophobicContact CD2-CG 4.02Å; L341-L343 HydrophobicContact CG-CD2 3.81Å; L341-L343 HydrophobicContact CG-CG 4.23Å; L341-L343 PolarHBondContact O-N 3.42Å
342	N	33	Very low	37.1	Very low	146 Å²	146	95.9 Å²	95.9	78%	0.781	49%	0.485	S	S	*	.			trans	-72.4	87.4	162.6	-76.2	-38.8	0	0	0	105.5	K340	K340-N342 VanDerWaalsContact C-N 3.3Å; K340-N342 PolarHBondContact O-N 2.81Å
343	L	38.8	Very low	37.4	Very low	63 Å²	63	97 Å²	97	33%	0.33	49%	0.488	S	S	.	.			trans	-47.9	131.1	170.6	-71.8	174.4	0	0	0	107.9	L341 R345 W347	L341-L343 HydrophobicContact CD2-CD2 3.31Å; L341-L343 HydrophobicContact CD2-CG 4.02Å; L341-L343 HydrophobicContact CG-CD2 3.81Å; L341-L343 HydrophobicContact CG-CG 4.23Å; L341-L343 PolarHBondContact O-N 3.42Å; L343-R345 PolarHBondContact O-N 3.01Å; L343-W347 HydrophobicContact CB-CB 4.01Å; L343-W347 HydrophobicContact CB-CD2 4.19Å; L343-W347 HydrophobicContact CB-CE3 4.32Å; L343-W347 HydrophobicContact CB-CG 4.1Å; L343-W347 HydrophobicContact CD1-CB 4.49Å; L343-W347 HydrophobicContact CD1-CD2 4.29Å; L343-W347 HydrophobicContact CD1-CE3 3.61Å; L343-W347 HydrophobicContact CD1-CZ3 4.12Å; L343-W347 HydrophobicContact CD2-CD2 3.64Å; L343-W347 HydrophobicContact CD2-CE3 3.29Å; L343-W347 HydrophobicContact CD2-CG 4.41Å; L343-W347 HydrophobicContact CD2-CH2 3.67Å; L343-W347 HydrophobicContact CD2-CZ2 4.04Å; L343-W347 HydrophobicContact CD2-CZ3 3.29Å; L343-W347 HydrophobicContact CG-CD2 4.26Å; L343-W347 HydrophobicContact CG-CE3 3.91Å; L343-W347 HydrophobicContact CG-CZ3 4.3Å
344	P	39.7	Very low	37.7	Very low	33 Å²	33	97 Å²	97	21%	0.214	49%	0.493	C	S	.	.			trans	-47	137.3	177.9	-29.3	35	0	0	0	109.3	C346 W347	P344-C346 VanDerWaalsContact CB-SG 3.6Å; P344-C346 PolarHBondContact O-N 2.67Å; P344-W347 WeakPolarHBondContact O-CB 3.24Å; P344-W347 PolarHBondContact O-N 3.48Å
345	R	35.9	Very low	38	Very low	186 Å²	186	97.3 Å²	97.3	70%	0.702	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-46.7	-27.5	-175.7	-75.2	-175.3	176.9	-179.6	2.8	113.5	D143 L343 W347 N348	D143-R345 IonicContact OD2-NH1 3.54Å; D143-R345 PolarHBondContact OD2-NH1 3.42Å; L343-R345 PolarHBondContact O-N 3.01Å; R345-W347 VanDerWaalsContact C-N 3.26Å; R345-W347 PolarHBondContact O-N 3.2Å; R345-N348 PolarHBondContact O-N 3.12Å
346	C	40.2	Very low	38.1	Very low	16 Å²	16	95.6 Å²	95.6	11%	0.108	49%	0.492	C	S	.	.	G	3₁₀ helix	trans	-61.6	-24.1	175.9	62.6	0	0	0	0	114.9	L139 P344 N348 S349 F352	L139-C346 HydrophobicContact CD1-CB 3.66Å; L139-C346 HydrophobicContact CD2-CB 3.54Å; L139-C346 HydrophobicContact CG-CB 4.26Å; P344-C346 VanDerWaalsContact CB-SG 3.6Å; P344-C346 PolarHBondContact O-N 2.67Å; C346-N348 VanDerWaalsContact C-N 3.26Å; C346-N348 PolarHBondContact O-N 2.85Å; C346-S349 WeakPolarHBondContact O-CB 3.18Å; C346-S349 PolarHBondContact O-N 2.78Å; C346-F352 WeakPolarHBondContact O-CB 3.46Å
347	W	43.4	Very low	38.8	Very low	82 Å²	82	95.9 Å²	95.9	31%	0.311	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-71.7	-22.9	177.2	-72	47.2	0	0	0	112.4	L317 L343 P344 R345 S349 F352	L317-W347 HydrophobicContact CD2-CH2 3.91Å; L317-W347 HydrophobicContact CD2-CZ2 3.78Å; L343-W347 HydrophobicContact CB-CB 4.01Å; L343-W347 HydrophobicContact CB-CD2 4.19Å; L343-W347 HydrophobicContact CB-CE3 4.32Å; L343-W347 HydrophobicContact CB-CG 4.1Å; L343-W347 HydrophobicContact CD1-CB 4.49Å; L343-W347 HydrophobicContact CD1-CD2 4.29Å; L343-W347 HydrophobicContact CD1-CE3 3.61Å; L343-W347 HydrophobicContact CD1-CZ3 4.12Å; L343-W347 HydrophobicContact CD2-CD2 3.64Å; L343-W347 HydrophobicContact CD2-CE3 3.29Å; L343-W347 HydrophobicContact CD2-CG 4.41Å; L343-W347 HydrophobicContact CD2-CH2 3.67Å; L343-W347 HydrophobicContact CD2-CZ2 4.04Å; L343-W347 HydrophobicContact CD2-CZ3 3.29Å; L343-W347 HydrophobicContact CG-CD2 4.26Å; L343-W347 HydrophobicContact CG-CE3 3.91Å; L343-W347 HydrophobicContact CG-CZ3 4.3Å; P344-W347 WeakPolarHBondContact O-CB 3.24Å; P344-W347 PolarHBondContact O-N 3.48Å; R345-W347 VanDerWaalsContact C-N 3.26Å; R345-W347 PolarHBondContact O-N 3.2Å; W347-S349 VanDerWaalsContact C-N 3.26Å; W347-F352 HydrophobicContact CD2-CE1 4.26Å; W347-F352 HydrophobicContact CG-CE1 4.14Å; W347-F352 HydrophobicContact CG-CZ 4.45Å; W347-F352 AromaticContact NE1-CZ 3.93Å
348	N	39.4	Very low	39.4	Very low	135 Å²	135	93.9 Å²	93.9	72%	0.722	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-84.2	-2.2	171.8	-66.3	-20	0	0	0	112.3	R345 C346	R345-N348 PolarHBondContact O-N 3.12Å; C346-N348 VanDerWaalsContact C-N 3.26Å; C346-N348 PolarHBondContact O-N 2.85Å
349	S	41.5	Very low	40.1	Very low	30 Å²	30	93.1 Å²	93.1	21%	0.21	46%	0.462	C	S	.	.			trans	-76	127.6	177.1	-177.7	0	0	0	0	110.4	C346 W347 T351 F352	C346-S349 WeakPolarHBondContact O-CB 3.18Å; C346-S349 PolarHBondContact O-N 2.78Å; W347-S349 VanDerWaalsContact C-N 3.26Å; S349-T351 PolarHBondContact O-N 2.85Å; S349-T351 PolarHBondContact OG-N 2.96Å; S349-T351 VanDerWaalsContact OG-N 3.17Å; S349-T351 PolarHBondContact OG-OG1 3.06Å; S349-F352 WeakPolarHBondContact O-CB 3.46Å; S349-F352 PolarHBondContact O-N 3.46Å
350	P	37.5	Very low	40.9	Very low	136 Å²	136	85.8 Å²	85.8	88%	0.883	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-8.2	171.6	25.8	-32.2	0	0	0	113.3
351	T	38.8	Very low	41.6	Very low	109 Å²	109	80 Å²	80	67%	0.669	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-4.3	175.7	69.5	0	0	0	0	113.6	S349 N353	S349-T351 PolarHBondContact O-N 2.85Å; S349-T351 PolarHBondContact OG-N 2.96Å; S349-T351 VanDerWaalsContact OG-N 3.17Å; S349-T351 PolarHBondContact OG-OG1 3.06Å; T351-N353 PolarHBondContact O-N 3.03Å
352	F	43.1	Very low	42.2	Very low	64 Å²	64	82.3 Å²	82.3	28%	0.281	42%	0.42	S	S	.	.			trans	-77.8	118.6	179.6	178.7	-105.5	0	0	0	110	C346 W347 S349 L354 L357	C346-F352 WeakPolarHBondContact O-CB 3.46Å; W347-F352 HydrophobicContact CD2-CE1 4.26Å; W347-F352 HydrophobicContact CG-CE1 4.14Å; W347-F352 HydrophobicContact CG-CZ 4.45Å; W347-F352 AromaticContact NE1-CZ 3.93Å; S349-F352 WeakPolarHBondContact O-CB 3.46Å; S349-F352 PolarHBondContact O-N 3.46Å; F352-L354 HydrophobicContact CD1-CB 4.32Å; F352-L354 HydrophobicContact CE1-CB 3.89Å; F352-L354 HydrophobicContact CE1-CD1 3.89Å; F352-L354 HydrophobicContact CE1-CG 4.47Å; F352-L354 HydrophobicContact CZ-CD1 4.3Å; F352-L357 HydrophobicContact CE2-CD2 4.05Å; F352-L357 HydrophobicContact CZ-CB 4.33Å; F352-L357 HydrophobicContact CZ-CD2 3.56Å
353	N	45.9	Very low	42.6	Very low	62 Å²	62	78 Å²	78	33%	0.332	39%	0.394	S	S	.	.			trans	-98.3	96.3	176.6	-173.6	-31.4	0	0	0	109	M31 T351 E355 A356 L357	M31-N353 HydrophobicContact CE-CB 3.25Å; M31-N353 WeakPolarHBondContact CE-ND2 3.42Å; T351-N353 PolarHBondContact O-N 3.03Å; N353-E355 VanDerWaalsContact C-N 3.31Å; N353-E355 PolarHBondContact O-N 3.15Å; N353-E355 WeakPolarHBondContact OD1-CA 3.43Å; N353-E355 WeakPolarHBondContact OD1-CB 3.44Å; N353-E355 PolarHBondContact OD1-N 3.04Å; N353-E355 VanDerWaalsContact OD1-N 3.07Å; N353-A356 HydrophobicContact CB-CB 3.94Å; N353-A356 PolarHBondContact O-N 3.2Å; N353-A356 PolarHBondContact OD1-N 3.19Å; N353-L357 PolarHBondContact O-N 3.47Å; N353-L357 VanDerWaalsContact O-N 3.07Å
354	L	46.3	Very low	42.7	Very low	75 Å²	75	80.3 Å²	80.3	39%	0.393	40%	0.402	S	S	.	.	H	α-helix	trans	-61.1	-38.7	177.8	-179.5	62.3	0	0	0	111.6	F352 A356 L357 L358	F352-L354 HydrophobicContact CD1-CB 4.32Å; F352-L354 HydrophobicContact CE1-CB 3.89Å; F352-L354 HydrophobicContact CE1-CD1 3.89Å; F352-L354 HydrophobicContact CE1-CG 4.47Å; F352-L354 HydrophobicContact CZ-CD1 4.3Å; L354-A356 PolarHBondContact O-N 3.45Å; L354-L357 PolarHBondContact O-N 3.35Å; L354-L358 HydrophobicContact CD1-CD1 4.13Å; L354-L358 HydrophobicContact CD1-CG 4.04Å; L354-L358 HydrophobicContact CD2-CD1 4.49Å; L354-L358 HydrophobicContact CG-CD1 3.9Å; L354-L358 HydrophobicContact CG-CG 4.24Å; L354-L358 WeakPolarHBondContact O-CB 3.26Å; L354-L358 VanDerWaalsContact O-CG 3.31Å; L354-L358 WeakPolarHBondContact O-CG 3.44Å; L354-L358 PolarHBondContact O-N 3.39Å
355	E	43.7	Very low	42.6	Very low	155 Å²	155	84.7 Å²	84.7	72%	0.724	41%	0.414	S	S	*	.	H	α-helix	trans	-61	-43.8	176	-70.4	177.7	163.9	0	0	111.7	N353 L357 L358 Y359	N353-E355 VanDerWaalsContact C-N 3.31Å; N353-E355 PolarHBondContact O-N 3.15Å; N353-E355 WeakPolarHBondContact OD1-CA 3.43Å; N353-E355 WeakPolarHBondContact OD1-CB 3.44Å; N353-E355 PolarHBondContact OD1-N 3.04Å; N353-E355 VanDerWaalsContact OD1-N 3.07Å; E355-L357 VanDerWaalsContact C-N 3.33Å; E355-L357 PolarHBondContact O-N 2.89Å; E355-L358 PolarHBondContact O-N 2.86Å; E355-Y359 WeakPolarHBondContact O-CB 3.3Å; E355-Y359 PolarHBondContact O-N 3.31Å
356	A	45.6	Very low	42.6	Very low	23 Å²	23	82.5 Å²	82.5	19%	0.19	41%	0.406	C	S	.	.	H	α-helix	trans	-66.9	-36.2	177.6	0	0	0	0	0	111.5	M31 N353 L354 N360	M31-A356 HydrophobicContact CE-CB 3.89Å; N353-A356 HydrophobicContact CB-CB 3.94Å; N353-A356 PolarHBondContact O-N 3.2Å; N353-A356 PolarHBondContact OD1-N 3.19Å; L354-A356 PolarHBondContact O-N 3.45Å; A356-N360 VanDerWaalsContact O-CB 3.31Å; A356-N360 WeakPolarHBondContact O-CB 3.13Å; A356-N360 PolarHBondContact O-N 3.41Å; A356-N360 PolarHBondContact O-ND2 2.64Å
357	L	46.6	Very low	42.5	Very low	70 Å²	70	92.2 Å²	92.2	37%	0.366	44%	0.442	S	S	.	.	H	α-helix	trans	-65	-50.5	172.8	178.2	67.1	0	0	0	110.5	F352 N353 L354 E355 Y359 N360 C361	F352-L357 HydrophobicContact CE2-CD2 4.05Å; F352-L357 HydrophobicContact CZ-CB 4.33Å; F352-L357 HydrophobicContact CZ-CD2 3.56Å; N353-L357 PolarHBondContact O-N 3.47Å; N353-L357 VanDerWaalsContact O-N 3.07Å; L354-L357 PolarHBondContact O-N 3.35Å; E355-L357 VanDerWaalsContact C-N 3.33Å; E355-L357 PolarHBondContact O-N 2.89Å; L357-Y359 VanDerWaalsContact C-N 3.35Å; L357-Y359 PolarHBondContact O-N 3.35Å; L357-N360 CarbonylContact O-C 3.45Å; L357-N360 PolarHBondContact O-N 3.31Å; L357-C361 WeakPolarHBondContact O-CB 3.4Å; L357-C361 PolarHBondContact O-N 3Å; L357-C361 PolarHBondContact O-SG 3.18Å
358	L	46.8	Very low	42.2	Very low	74 Å²	74	94.2 Å²	94.2	39%	0.387	46%	0.459	S	S	.	.	H	α-helix	trans	-63.8	-39.7	-179.6	-69.6	176	0	0	0	111.5	L354 E355 C361 R362	L354-L358 HydrophobicContact CD1-CD1 4.13Å; L354-L358 HydrophobicContact CD1-CG 4.04Å; L354-L358 HydrophobicContact CD2-CD1 4.49Å; L354-L358 HydrophobicContact CG-CD1 3.9Å; L354-L358 HydrophobicContact CG-CG 4.24Å; L354-L358 WeakPolarHBondContact O-CB 3.26Å; L354-L358 VanDerWaalsContact O-CG 3.31Å; L354-L358 WeakPolarHBondContact O-CG 3.44Å; L354-L358 PolarHBondContact O-N 3.39Å; E355-L358 PolarHBondContact O-N 2.86Å; L358-C361 CarbonylContact O-C 3.39Å; L358-C361 PolarHBondContact O-N 3.04Å; L358-R362 VanDerWaalsContact O-CB 3.31Å; L358-R362 WeakPolarHBondContact O-CB 3.3Å; L358-R362 PolarHBondContact O-N 3.1Å
359	Y	45.5	Very low	42	Very low	73 Å²	73	90.2 Å²	90.2	29%	0.286	44%	0.44	S	S	.	.	H	α-helix	trans	-59.2	-52.5	170.7	-179.3	-85.8	0	0	0	110.3	E355 L357 C361 R362 F363	E355-Y359 WeakPolarHBondContact O-CB 3.3Å; E355-Y359 PolarHBondContact O-N 3.31Å; L357-Y359 VanDerWaalsContact C-N 3.35Å; L357-Y359 PolarHBondContact O-N 3.35Å; Y359-C361 VanDerWaalsContact C-N 3.29Å; Y359-C361 PolarHBondContact O-N 3.17Å; Y359-R362 PolarHBondContact O-N 2.84Å; Y359-R362 VanDerWaalsContact O-N 3.12Å; Y359-F363 AromaticContact CD1-CD2 3.86Å; Y359-F363 HydrophobicContact CD1-CD2 3.86Å; Y359-F363 HydrophobicContact CD1-CE2 4.47Å; Y359-F363 AromaticContact CD2-CD2 3.6Å; Y359-F363 HydrophobicContact CD2-CD2 3.6Å; Y359-F363 AromaticContact CD2-CE2 3.36Å; Y359-F363 HydrophobicContact CD2-CE2 3.36Å; Y359-F363 AromaticContact CE1-CD2 3.78Å; Y359-F363 HydrophobicContact CE1-CD2 3.78Å; Y359-F363 HydrophobicContact CE1-CE2 4.4Å; Y359-F363 AromaticContact CE2-CD2 3.52Å; Y359-F363 HydrophobicContact CE2-CD2 3.52Å; Y359-F363 AromaticContact CE2-CE2 3.26Å; Y359-F363 HydrophobicContact CE2-CE2 3.26Å; Y359-F363 HydrophobicContact CE2-CZ 4.2Å; Y359-F363 AromaticContact CG-CD2 3.76Å; Y359-F363 HydrophobicContact CG-CD2 3.76Å; Y359-F363 AromaticContact CG-CE2 3.97Å; Y359-F363 HydrophobicContact CG-CE2 3.97Å; Y359-F363 AromaticContact CZ-CD2 3.6Å; Y359-F363 AromaticContact CZ-CE2 3.82Å; Y359-F363 WeakPolarHBondContact O-CD2 3.38Å; Y359-F363 PolarHBondContact O-N 3.38Å
360	N	46	Very low	41.7	Very low	25 Å²	25	94.2 Å²	94.2	13%	0.134	47%	0.466	C	S	.	.	H	α-helix	trans	-60.3	-41.3	177	-80.5	-69.2	0	0	0	110.8	A356 L357 F363 F364 N611	A356-N360 VanDerWaalsContact O-CB 3.31Å; A356-N360 WeakPolarHBondContact O-CB 3.13Å; A356-N360 PolarHBondContact O-N 3.41Å; A356-N360 PolarHBondContact O-ND2 2.64Å; L357-N360 CarbonylContact O-C 3.45Å; L357-N360 PolarHBondContact O-N 3.31Å; N360-F363 PolarHBondContact O-N 3.21Å; N360-F364 HydrophobicContact CB-CD2 3.92Å; N360-F364 HydrophobicContact CB-CE2 4.34Å; N360-F364 WeakPolarHBondContact O-CA 3.44Å; N360-F364 WeakPolarHBondContact O-CB 3.36Å; N360-F364 PolarHBondContact O-N 3Å; N360-F364 WeakPolarHBondContact OD1-CE2 3.27Å; N360-N611 PolarHBondContact ND2-ND2 3.04Å; N360-N611 PolarHBondContact ND2-OD1 3.1Å; N360-N611 PolarHBondContact OD1-ND2 3.49Å
361	C	44.1	Very low	41.7	Very low	50 Å²	50	90 Å²	90	34%	0.338	44%	0.437	S	S	.	.	H	α-helix	trans	-63.4	-39.9	174.3	-71.4	0	0	0	0	112.3	L357 L358 Y359 F363	L357-C361 WeakPolarHBondContact O-CB 3.4Å; L357-C361 PolarHBondContact O-N 3Å; L357-C361 PolarHBondContact O-SG 3.18Å; L358-C361 CarbonylContact O-C 3.39Å; L358-C361 PolarHBondContact O-N 3.04Å; Y359-C361 VanDerWaalsContact C-N 3.29Å; Y359-C361 PolarHBondContact O-N 3.17Å; C361-F363 VanDerWaalsContact C-N 3.29Å; C361-F363 PolarHBondContact O-N 3.17Å
362	R	44	Very low	41.5	Very low	122 Å²	122	88.1 Å²	88.1	46%	0.46	43%	0.427	S	S	.	.	H	α-helix	trans	-62.4	-36.9	176.1	-176	171.8	173.1	170.4	-5.5	111.2	D243 D247 L358 Y359	D243-R362 IonicContact OD1-NH2 2.77Å; D243-R362 PolarHBondContact OD1-NH2 2.95Å; D247-R362 IonicContact OD1-NH1 3.87Å; L358-R362 VanDerWaalsContact O-CB 3.31Å; L358-R362 WeakPolarHBondContact O-CB 3.3Å; L358-R362 PolarHBondContact O-N 3.1Å; Y359-R362 PolarHBondContact O-N 2.84Å; Y359-R362 VanDerWaalsContact O-N 3.12Å
363	F	42.5	Very low	40.8	Very low	54 Å²	54	95.1 Å²	95.1	24%	0.237	46%	0.457	C	S	.	.	H	α-helix	trans	-110.3	-15.9	-169.6	-60.7	-70.1	0	0	0	116.2	Y359 N360 C361 W365 F398	Y359-F363 AromaticContact CD1-CD2 3.86Å; Y359-F363 HydrophobicContact CD1-CD2 3.86Å; Y359-F363 HydrophobicContact CD1-CE2 4.47Å; Y359-F363 AromaticContact CD2-CD2 3.6Å; Y359-F363 HydrophobicContact CD2-CD2 3.6Å; Y359-F363 AromaticContact CD2-CE2 3.36Å; Y359-F363 HydrophobicContact CD2-CE2 3.36Å; Y359-F363 AromaticContact CE1-CD2 3.78Å; Y359-F363 HydrophobicContact CE1-CD2 3.78Å; Y359-F363 HydrophobicContact CE1-CE2 4.4Å; Y359-F363 AromaticContact CE2-CD2 3.52Å; Y359-F363 HydrophobicContact CE2-CD2 3.52Å; Y359-F363 AromaticContact CE2-CE2 3.26Å; Y359-F363 HydrophobicContact CE2-CE2 3.26Å; Y359-F363 HydrophobicContact CE2-CZ 4.2Å; Y359-F363 AromaticContact CG-CD2 3.76Å; Y359-F363 HydrophobicContact CG-CD2 3.76Å; Y359-F363 AromaticContact CG-CE2 3.97Å; Y359-F363 HydrophobicContact CG-CE2 3.97Å; Y359-F363 AromaticContact CZ-CD2 3.6Å; Y359-F363 AromaticContact CZ-CE2 3.82Å; Y359-F363 WeakPolarHBondContact O-CD2 3.38Å; Y359-F363 PolarHBondContact O-N 3.38Å; N360-F363 PolarHBondContact O-N 3.21Å; C361-F363 VanDerWaalsContact C-N 3.29Å; C361-F363 PolarHBondContact O-N 3.17Å; F363-W365 VanDerWaalsContact C-N 3.34Å; F363-W365 PolarHBondContact O-N 2.82Å; F363-F398 HydrophobicContact CD1-CB 4.39Å
364	F	39.5	Very low	40.3	Very low	112 Å²	112	97.6 Å²	97.6	49%	0.491	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-19.5	-178.2	-113.1	-98.1	0	0	0	114	N360	N360-F364 HydrophobicContact CB-CD2 3.92Å; N360-F364 HydrophobicContact CB-CE2 4.34Å; N360-F364 WeakPolarHBondContact O-CA 3.44Å; N360-F364 WeakPolarHBondContact O-CB 3.36Å; N360-F364 PolarHBondContact O-N 3Å; N360-F364 WeakPolarHBondContact OD1-CE2 3.27Å
365	W	38.6	Very low	39.3	Very low	126 Å²	126	99 Å²	99	48%	0.477	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	10.9	-164.5	-61.1	115.8	0	0	0	115.7	F217 F363 Y367	F217-W365 AromaticContact CD1-CH2 3.35Å; F217-W365 HydrophobicContact CD1-CH2 3.35Å; F217-W365 HydrophobicContact CD1-CZ2 4.32Å; F217-W365 AromaticContact CD1-CZ3 3.86Å; F217-W365 HydrophobicContact CD1-CZ3 3.86Å; F217-W365 AromaticContact CE1-CH2 3.25Å; F217-W365 HydrophobicContact CE1-CH2 3.25Å; F217-W365 AromaticContact CE1-CZ2 3.83Å; F217-W365 HydrophobicContact CE1-CZ2 3.83Å; F217-W365 HydrophobicContact CE1-CZ3 4.2Å; F217-W365 HydrophobicContact CG-CH2 4.09Å; F217-W365 HydrophobicContact CG-CZ3 4.46Å; F217-W365 AromaticContact CZ-CH2 3.93Å; F217-W365 HydrophobicContact CZ-CH2 3.93Å; F217-W365 HydrophobicContact CZ-CZ2 4.39Å; F363-W365 VanDerWaalsContact C-N 3.34Å; F363-W365 PolarHBondContact O-N 2.82Å; W365-Y367 PolarHBondContact O-N 2.91Å
366	R	36.4	Very low	38.7	Very low	139 Å²	139	94.4 Å²	94.4	53%	0.525	48%	0.476	S	S	.	.			trans	-77	76.7	170.1	-73.9	-176.8	168	-174.6	-12.4	110.4	N368 F398 D405	R366-N368 PolarHBondContact O-N 2.94Å; R366-F398 HydrophobicContact CB-CE2 4.13Å; R366-F398 HydrophobicContact CG-CE2 4.26Å; R366-D405 IonicContact CZ-OD2 3.32Å; R366-D405 VanDerWaalsContact CZ-OD2 3.29Å; R366-D405 IonicContact NH1-OD2 3.87Å; R366-D405 PolarHBondContact NH1-OD2 3.29Å; R366-D405 IonicContact NH2-OD2 2.62Å
367	Y	37	Very low	37.9	Very low	220 Å²	220	103.1 Å²	103.1	86%	0.863	51%	0.513	S	S	*	.			trans	-34.5	120.9	157.9	-155	-94.5	0	0	0	109.5	W365 P369	W365-Y367 PolarHBondContact O-N 2.91Å; Y367-P369 WeakPolarHBondContact O-CD 3.36Å
368	N	38.6	Very low	37.2	Very low	125 Å²	125	102.3 Å²	102.3	67%	0.668	51%	0.513	S	S	*	.			trans	-23.3	85.9	178.6	-149.9	21.7	0	0	0	113.8	R366	R366-N368 PolarHBondContact O-N 2.94Å
369	P	35.2	Very low	36.4	Very low	50 Å²	50	105.3 Å²	105.3	33%	0.325	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-69.2	135.9	167.2	28.6	-24.9	0	0	0	105.8	Y367 V371	Y367-P369 WeakPolarHBondContact O-CD 3.36Å; P369-V371 PolarHBondContact O-N 2.83Å
370	P	33.8	Very low	36.2	Very low	115 Å²	115	108.4 Å²	108.4	75%	0.747	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-50.3	136.3	171.8	20.9	-30	0	0	0	108.3	P372	P370-P372 WeakPolarHBondContact O-CD 3.41Å
371	V	37.6	Very low	36.2	Very low	48 Å²	48	109 Å²	109	29%	0.291	55%	0.55	S	S	.	.	P	Polyproline II helix	trans	-47.9	119.7	172.9	-179.4	0	0	0	0	106.5	P369 K373 V382 F386 W394	P369-V371 PolarHBondContact O-N 2.83Å; V371-K373 PolarHBondContact O-N 2.79Å; V371-V382 HydrophobicContact CG1-CG1 3.99Å; V371-F386 HydrophobicContact CB-CD2 4.47Å; V371-F386 HydrophobicContact CB-CE2 4.23Å; V371-F386 HydrophobicContact CG1-CD2 4Å; V371-F386 HydrophobicContact CG1-CE2 3.62Å; V371-F386 HydrophobicContact CG1-CZ 4.4Å; V371-F386 HydrophobicContact CG2-CD1 4.36Å; V371-F386 HydrophobicContact CG2-CD2 3.88Å; V371-F386 HydrophobicContact CG2-CE1 4.04Å; V371-F386 HydrophobicContact CG2-CE2 3.55Å; V371-F386 HydrophobicContact CG2-CG 4.28Å; V371-F386 HydrophobicContact CG2-CZ 3.63Å; V371-W394 HydrophobicContact CG2-CZ2 4.37Å
372	P	34.8	Very low	36.4	Very low	69 Å²	69	108.3 Å²	108.3	45%	0.448	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-57.3	118.7	175.4	-19.4	30.2	0	0	0	106.5	P370 L374	P370-P372 WeakPolarHBondContact O-CD 3.41Å; P372-L374 HydrophobicContact CB-CD1 4.15Å; P372-L374 HydrophobicContact CB-CG 4.14Å; P372-L374 PolarHBondContact O-N 3.49Å
373	K	29	Very low	36.5	Very low	210 Å²	210	103.4 Å²	103.4	91%	0.913	53%	0.528	S	S	*	.			trans	-66.3	80.1	157.2	-76.9	-174.5	177.4	-175.3	0	104.9	V371 A375	V371-K373 PolarHBondContact O-N 2.79Å; K373-A375 VanDerWaalsContact C-N 3.35Å; K373-A375 PolarHBondContact O-N 3.32Å
374	L	35.2	Very low	36.4	Very low	114 Å²	114	106.1 Å²	106.1	60%	0.597	55%	0.545	S	S	*	.			trans	-59.7	108	170.5	-87.6	137.7	0	0	0	105	P372 C376 V382	P372-L374 HydrophobicContact CB-CD1 4.15Å; P372-L374 HydrophobicContact CB-CG 4.14Å; P372-L374 PolarHBondContact O-N 3.49Å; L374-C376 PolarHBondContact O-N 3.19Å; L374-V382 HydrophobicContact CB-CG2 4.46Å; L374-V382 HydrophobicContact CD1-CG2 3.64Å
375	A	25.9	Very low	36.9	Very low	106 Å²	106	107.8 Å²	107.8	88%	0.876	56%	0.559	S	S	*	*			trans	-67.9	67.8	165.9	0	0	0	0	0	107.2	K373	K373-A375 VanDerWaalsContact C-N 3.35Å; K373-A375 PolarHBondContact O-N 3.32Å
376	C	30.2	Very low	37.6	Very low	57 Å²	57	104.4 Å²	104.4	39%	0.385	55%	0.548	S	S	.	.			trans	-89.4	120.7	165.4	-149.8	0	0	0	0	105.5	L374 S378	L374-C376 PolarHBondContact O-N 3.19Å; C376-S378 CarbonylContact O-C 3.57Å; C376-S378 PolarHBondContact O-N 3.37Å; C376-S378 PolarHBondContact SG-OG 2.85Å
377	E	28.5	Very low	38.9	Very low	207 Å²	207	101.9 Å²	101.9	97%	0.967	55%	0.545	S	S	*	.	S	Bend	trans	-61.4	3.6	171.3	-66.1	-178.1	153.7	0	0	112.7
378	S	32.2	Very low	40.5	Very low	52 Å²	52	96.1 Å²	96.1	36%	0.364	53%	0.534	S	S	.	.	S	Bend	trans	-102	103.2	159.9	51.6	0	0	0	0	110.2	C376 Q380 L381	C376-S378 CarbonylContact O-C 3.57Å; C376-S378 PolarHBondContact O-N 3.37Å; C376-S378 PolarHBondContact SG-OG 2.85Å; S378-Q380 PolarHBondContact O-N 3.41Å; S378-L381 WeakPolarHBondContact OG-CD1 3.45Å
379	N	29.8	Very low	42	Very low	138 Å²	138	93 Å²	93	74%	0.738	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	23.2	179.2	-85.3	-26.4	0	0	0	115.8	N384	N379-N384 PolarHBondContact O-ND2 3.4Å
380	Q	40.8	Very low	43.9	Very low	137 Å²	137	91.1 Å²	91.1	64%	0.64	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.2	-2.9	-167.1	-71.2	-178.9	-9.9	0	0	115.4	S378	S378-Q380 PolarHBondContact O-N 3.41Å
381	L	47.2	Very low	45.7	Very low	37 Å²	37	89.9 Å²	89.9	19%	0.194	50%	0.497	C	S	.	.	S	Bend	trans	-102.3	-3.6	-164.1	-69.3	176.1	0	0	0	117.2	S378 M478	S378-L381 WeakPolarHBondContact OG-CD1 3.45Å; L381-M478 HydrophobicContact CD2-CE 3.89Å
382	V	47.8	Very low	47.5	Very low	37 Å²	37	92.1 Å²	92.1	22%	0.224	50%	0.503	C	S	.	.	S	Bend	trans	-146.7	138.5	169.2	179.1	0	0	0	0	106.8	V371 L374 N384	V371-V382 HydrophobicContact CG1-CG1 3.99Å; L374-V382 HydrophobicContact CB-CG2 4.46Å; L374-V382 HydrophobicContact CD1-CG2 3.64Å; V382-N384 PolarHBondContact O-N 3.38Å; V382-N384 PolarHBondContact O-OD1 3.09Å
383	C	46.3	Very low	49.5	Very low	19 Å²	19	90.4 Å²	90.4	13%	0.128	49%	0.488	C	S	.	.			trans	-39	94.3	-179.2	-66.9	0	0	0	0	112.1	D385 F386 C412	C383-D385 PolarHBondContact O-N 2.95Å; C383-F386 HydrophobicContact CB-CD2 3.6Å; C383-F386 HydrophobicContact CB-CE2 3.83Å; C383-F386 HydrophobicContact CB-CG 4.41Å; C383-C412 WeakPolarHBondContact CB-SG 3.38Å; C383-C412 WeakPolarHBondContact SG-CA 3.37Å; C383-C412 WeakPolarHBondContact SG-CB 3.37Å; C383-C412 PolarHBondContact SG-N 2.93Å; C383-C412 CovalentContact SG-SG 2.04Å; C383-C412 PolarHBondContact SG-SG 3.32Å
384	N	40.7	Very low	51.6	Low	110 Å²	110	81.3 Å²	81.3	59%	0.588	45%	0.447	S	S	*	.	S	Bend	trans	-70.9	-17.5	-179.4	-85.8	-26.6	0	0	0	111.1	N379 V382	N379-N384 PolarHBondContact O-ND2 3.4Å; V382-N384 PolarHBondContact O-N 3.38Å; V382-N384 PolarHBondContact O-OD1 3.09Å
385	D	49.5	Very low	53.3	Low	147 Å²	147	79.3 Å²	79.3	79%	0.786	45%	0.448	S	S	*	.	S	Bend	trans	-118.7	85.5	169.4	-62.5	-45.6	0	0	0	109.4	C383 D387	C383-D385 PolarHBondContact O-N 2.95Å; D385-D387 PolarHBondContact O-N 3.03Å
386	F	53.9	Low	55.6	Low	55 Å²	55	76.6 Å²	76.6	24%	0.241	42%	0.417	C	S	.	.			trans	-70.2	98.1	178.1	-125.2	-91.1	0	0	0	110	V371 C383 M390 W394	V371-F386 HydrophobicContact CB-CD2 4.47Å; V371-F386 HydrophobicContact CB-CE2 4.23Å; V371-F386 HydrophobicContact CG1-CD2 4Å; V371-F386 HydrophobicContact CG1-CE2 3.62Å; V371-F386 HydrophobicContact CG1-CZ 4.4Å; V371-F386 HydrophobicContact CG2-CD1 4.36Å; V371-F386 HydrophobicContact CG2-CD2 3.88Å; V371-F386 HydrophobicContact CG2-CE1 4.04Å; V371-F386 HydrophobicContact CG2-CE2 3.55Å; V371-F386 HydrophobicContact CG2-CG 4.28Å; V371-F386 HydrophobicContact CG2-CZ 3.63Å; C383-F386 HydrophobicContact CB-CD2 3.6Å; C383-F386 HydrophobicContact CB-CE2 3.83Å; C383-F386 HydrophobicContact CB-CG 4.41Å; F386-M390 HydrophobicContact CD1-CB 4.48Å; F386-M390 HydrophobicContact CE1-CB 4.31Å; F386-W394 HydrophobicContact CE1-CB 4.09Å; F386-W394 HydrophobicContact CE1-CG 4.24Å; F386-W394 HydrophobicContact CE2-CE3 4.48Å; F386-W394 HydrophobicContact CZ-CB 4.14Å; F386-W394 AromaticContact CZ-CD2 3.83Å; F386-W394 HydrophobicContact CZ-CD2 3.83Å; F386-W394 AromaticContact CZ-CE3 3.77Å; F386-W394 HydrophobicContact CZ-CE3 3.77Å; F386-W394 AromaticContact CZ-CG 4Å; F386-W394 HydrophobicContact CZ-CG 4Å; F386-W394 HydrophobicContact CZ-CZ3 4.41Å
387	D	63.8	Low	57.9	Low	86 Å²	86	74.2 Å²	74.2	46%	0.46	40%	0.4	S	S	.	.			trans	-65.2	124.4	168.5	175.3	2.3	0	0	0	109.3	D385 S389 M390	D385-D387 PolarHBondContact O-N 3.03Å; D387-S389 PolarHBondContact O-N 3.36Å; D387-S389 WeakPolarHBondContact OD1-CB 3.27Å; D387-S389 PolarHBondContact OD1-N 3.47Å; D387-S389 PolarHBondContact OD1-OG 3.17Å; D387-S389 VanDerWaalsContact OD2-CB 3.32Å; D387-S389 WeakPolarHBondContact OD2-CB 3.27Å; D387-S389 PolarHBondContact OD2-OG 3.13Å; D387-M390 HydrophobicContact CB-CG 4.21Å; D387-M390 WeakPolarHBondContact O-CB 2.99Å; D387-M390 WeakPolarHBondContact O-CG 3.48Å; D387-M390 PolarHBondContact O-N 2.96Å
388	P	68.9	Low	60.2	Low	99 Å²	99	64.8 Å²	64.8	64%	0.643	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-51.5	-23	175.1	-27.7	34.8	0	0	0	114.5	M390 D391	P388-M390 PolarHBondContact O-N 2.91Å; P388-M390 VanDerWaalsContact O-N 3.15Å; P388-D391 PolarHBondContact O-N 2.95Å
389	S	71.5	Confident	62.4	Low	61 Å²	61	64.8 Å²	64.8	43%	0.427	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-59	-22.1	172.8	85.7	0	0	0	0	113.1	D387	D387-S389 PolarHBondContact O-N 3.36Å; D387-S389 WeakPolarHBondContact OD1-CB 3.27Å; D387-S389 PolarHBondContact OD1-N 3.47Å; D387-S389 PolarHBondContact OD1-OG 3.17Å; D387-S389 VanDerWaalsContact OD2-CB 3.32Å; D387-S389 WeakPolarHBondContact OD2-CB 3.27Å; D387-S389 PolarHBondContact OD2-OG 3.13Å
390	M	75	Confident	65	Low	10 Å²	10	58.8 Å²	58.8	5%	0.049	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-85.6	-16.3	-176.8	-60.8	-53.9	-63	0	0	114.7	F386 D387 P388 K392 Y393 W394 C412 L415 F416	F386-M390 HydrophobicContact CD1-CB 4.48Å; F386-M390 HydrophobicContact CE1-CB 4.31Å; D387-M390 HydrophobicContact CB-CG 4.21Å; D387-M390 WeakPolarHBondContact O-CB 2.99Å; D387-M390 WeakPolarHBondContact O-CG 3.48Å; D387-M390 PolarHBondContact O-N 2.96Å; P388-M390 PolarHBondContact O-N 2.91Å; P388-M390 VanDerWaalsContact O-N 3.15Å; M390-K392 PolarHBondContact O-N 3.49Å; M390-K392 VanDerWaalsContact O-N 3.11Å; M390-Y393 HydrophobicContact CE-CD2 3.94Å; M390-Y393 HydrophobicContact CE-CG 4.4Å; M390-Y393 WeakPolarHBondContact O-CA 3.32Å; M390-Y393 WeakPolarHBondContact O-CB 3.33Å; M390-Y393 PolarHBondContact O-N 3.26Å; M390-Y393 HydrophobicContact SD-CD2 4.02Å; M390-Y393 HydrophobicContact SD-CE2 4.43Å; M390-W394 PolarHBondContact O-N 3.49Å; M390-C412 HydrophobicContact CE-CB 4.34Å; M390-C412 WeakPolarHBondContact CE-O 3.29Å; M390-L415 HydrophobicContact CE-CB 3.39Å; M390-L415 HydrophobicContact CE-CD1 3.69Å; M390-L415 HydrophobicContact CE-CG 4.18Å; M390-F416 HydrophobicContact CE-CD1 3.96Å; M390-F416 HydrophobicContact SD-CD1 4.14Å
391	D	71.1	Confident	67	Low	89 Å²	89	52.5 Å²	52.5	48%	0.476	29%	0.286	S	S	.	.	H	α-helix	trans	-53.1	-39.8	-176.9	-78	-9.7	0	0	0	112.8	P388 Y393 W394 A395	P388-D391 PolarHBondContact O-N 2.95Å; D391-Y393 VanDerWaalsContact C-N 3.27Å; D391-Y393 PolarHBondContact O-N 2.91Å; D391-W394 PolarHBondContact O-N 3.32Å; D391-A395 VanDerWaalsContact O-CB 3.31Å; D391-A395 WeakPolarHBondContact O-CB 3.46Å; D391-A395 PolarHBondContact O-N 3.02Å
392	K	74.8	Confident	68.6	Low	94 Å²	94	52.7 Å²	52.7	41%	0.409	29%	0.291	S	S	.	.	H	α-helix	trans	-66	-31	179.6	76.6	-174.8	-179.2	-169.2	0	112.1	M390 Q396	M390-K392 PolarHBondContact O-N 3.49Å; M390-K392 VanDerWaalsContact O-N 3.11Å; K392-Q396 WeakPolarHBondContact O-CG 3.32Å; K392-Q396 PolarHBondContact O-NE2 3Å
393	Y	76.8	Confident	70.3	Confident	34 Å²	34	55.9 Å²	55.9	13%	0.133	30%	0.298	C	S	.	.	H	α-helix	trans	-83.2	-41.8	179.5	-61.7	-76.2	0	0	0	110.6	M390 D391 A395 Q396 R397 L415 F416 P535	M390-Y393 HydrophobicContact CE-CD2 3.94Å; M390-Y393 HydrophobicContact CE-CG 4.4Å; M390-Y393 WeakPolarHBondContact O-CA 3.32Å; M390-Y393 WeakPolarHBondContact O-CB 3.33Å; M390-Y393 PolarHBondContact O-N 3.26Å; M390-Y393 HydrophobicContact SD-CD2 4.02Å; M390-Y393 HydrophobicContact SD-CE2 4.43Å; D391-Y393 VanDerWaalsContact C-N 3.27Å; D391-Y393 PolarHBondContact O-N 2.91Å; Y393-A395 VanDerWaalsContact C-N 3.3Å; Y393-A395 PolarHBondContact O-N 2.92Å; Y393-Q396 CarbonylContact O-C 3.53Å; Y393-Q396 WeakPolarHBondContact O-CA 3.31Å; Y393-Q396 WeakPolarHBondContact O-CB 3.38Å; Y393-Q396 PolarHBondContact O-N 3.28Å; Y393-R397 PolarHBondContact O-N 3.05Å; Y393-L415 WeakPolarHBondContact CB-O 3.28Å; Y393-L415 VanDerWaalsContact CD1-O 3.24Å; Y393-L415 WeakPolarHBondContact CD1-O 3.34Å; Y393-F416 HydrophobicContact CD1-CB 3.75Å; Y393-F416 HydrophobicContact CD2-CB 4.19Å; Y393-F416 HydrophobicContact CE1-CB 3.35Å; Y393-F416 HydrophobicContact CE2-CB 3.82Å; Y393-F416 HydrophobicContact CG-CB 4.16Å; Y393-P535 HydrophobicContact CE2-CG 4.28Å; Y393-P535 WeakPolarHBondContact OH-CB 3.5Å; Y393-P535 WeakPolarHBondContact OH-CG 3.24Å
394	W	73.9	Confident	71.9	Confident	18 Å²	18	55.7 Å²	55.7	7%	0.068	30%	0.296	C	S	.	.	H	α-helix	trans	-57.6	-41.3	172.5	-178	-107.9	0	0	0	112.8	V371 F386 M390 D391 Q396 R397 F404 L415	V371-W394 HydrophobicContact CG2-CZ2 4.37Å; F386-W394 HydrophobicContact CE1-CB 4.09Å; F386-W394 HydrophobicContact CE1-CG 4.24Å; F386-W394 HydrophobicContact CE2-CE3 4.48Å; F386-W394 HydrophobicContact CZ-CB 4.14Å; F386-W394 AromaticContact CZ-CD2 3.83Å; F386-W394 HydrophobicContact CZ-CD2 3.83Å; F386-W394 AromaticContact CZ-CE3 3.77Å; F386-W394 HydrophobicContact CZ-CE3 3.77Å; F386-W394 AromaticContact CZ-CG 4Å; F386-W394 HydrophobicContact CZ-CG 4Å; F386-W394 HydrophobicContact CZ-CZ3 4.41Å; M390-W394 PolarHBondContact O-N 3.49Å; D391-W394 PolarHBondContact O-N 3.32Å; W394-Q396 PolarHBondContact O-N 3.44Å; W394-R397 WeakPolarHBondContact O-CB 3.27Å; W394-R397 WeakPolarHBondContact O-CD 3.34Å; W394-R397 VanDerWaalsContact O-CG 3.27Å; W394-R397 WeakPolarHBondContact O-CG 3.36Å; W394-R397 PolarHBondContact O-N 3.4Å; W394-R397 VanDerWaalsContact O-N 3.16Å; W394-R397 PolarHBondContact O-NH1 3.12Å; W394-R397 VanDerWaalsContact O-NH1 3.1Å; W394-F404 HydrophobicContact CE3-CZ 4.46Å; W394-F404 AromaticContact CH2-CE1 3.89Å; W394-F404 HydrophobicContact CH2-CE1 3.89Å; W394-F404 HydrophobicContact CH2-CZ 4.25Å; W394-F404 AromaticContact CZ3-CE1 3.87Å; W394-F404 HydrophobicContact CZ3-CE1 3.87Å; W394-F404 AromaticContact CZ3-CZ 3.76Å; W394-F404 HydrophobicContact CZ3-CZ 3.76Å; W394-L415 HydrophobicContact CE3-CD1 4.45Å; W394-L415 HydrophobicContact CE3-CD2 4.4Å
395	A	71.5	Confident	73.8	Confident	73 Å²	73	54.9 Å²	54.9	60%	0.603	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-17	173.8	0	0	0	0	0	113.5	D391 Y393	D391-A395 VanDerWaalsContact O-CB 3.31Å; D391-A395 WeakPolarHBondContact O-CB 3.46Å; D391-A395 PolarHBondContact O-N 3.02Å; Y393-A395 VanDerWaalsContact C-N 3.3Å; Y393-A395 PolarHBondContact O-N 2.92Å
396	Q	73.8	Confident	75.3	Confident	48 Å²	48	51.2 Å²	51.2	22%	0.224	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	6.1	178.1	-71.5	176.5	86.7	0	0	113	K392 Y393 W394 F398 R399 L400	K392-Q396 WeakPolarHBondContact O-CG 3.32Å; K392-Q396 PolarHBondContact O-NE2 3Å; Y393-Q396 CarbonylContact O-C 3.53Å; Y393-Q396 WeakPolarHBondContact O-CA 3.31Å; Y393-Q396 WeakPolarHBondContact O-CB 3.38Å; Y393-Q396 PolarHBondContact O-N 3.28Å; W394-Q396 PolarHBondContact O-N 3.44Å; Q396-F398 VanDerWaalsContact C-N 3.27Å; Q396-F398 PolarHBondContact O-N 3.29Å; Q396-F398 VanDerWaalsContact O-N 3.12Å; Q396-R399 WeakPolarHBondContact O-CA 3.38Å; Q396-R399 VanDerWaalsContact O-CB 3.26Å; Q396-R399 WeakPolarHBondContact O-CB 3.46Å; Q396-R399 PolarHBondContact O-N 3.32Å; Q396-L400 PolarHBondContact O-N 3.42Å
397	R	78.2	Confident	76.7	Confident	7 Å²	7	50.6 Å²	50.6	3%	0.026	29%	0.287	C	S	.	.	H	α-helix	trans	-53.2	-37.3	-173.3	71.6	-168.5	-179.2	-86.1	2.2	114.8	Y393 W394 R399 L400 F401 F404	Y393-R397 PolarHBondContact O-N 3.05Å; W394-R397 WeakPolarHBondContact O-CB 3.27Å; W394-R397 WeakPolarHBondContact O-CD 3.34Å; W394-R397 VanDerWaalsContact O-CG 3.27Å; W394-R397 WeakPolarHBondContact O-CG 3.36Å; W394-R397 PolarHBondContact O-N 3.4Å; W394-R397 VanDerWaalsContact O-N 3.16Å; W394-R397 PolarHBondContact O-NH1 3.12Å; W394-R397 VanDerWaalsContact O-NH1 3.1Å; R397-R399 PolarHBondContact O-N 2.93Å; R397-L400 WeakPolarHBondContact O-CA 3.23Å; R397-L400 WeakPolarHBondContact O-CB 3.45Å; R397-L400 PolarHBondContact O-N 2.77Å; R397-F401 PolarHBondContact O-N 3.02Å; R397-F404 HydrophobicContact CB-CD1 4.18Å; R397-F404 HydrophobicContact CB-CD2 3.63Å; R397-F404 HydrophobicContact CB-CE1 4.23Å; R397-F404 HydrophobicContact CB-CE2 3.68Å; R397-F404 HydrophobicContact CB-CG 3.88Å; R397-F404 HydrophobicContact CB-CZ 3.99Å; R397-F404 HydrophobicContact CG-CB 4.35Å; R397-F404 HydrophobicContact CG-CD1 3.85Å; R397-F404 HydrophobicContact CG-CD2 4.13Å; R397-F404 HydrophobicContact CG-CE1 4.18Å; R397-F404 HydrophobicContact CG-CE2 4.42Å; R397-F404 HydrophobicContact CG-CG 3.83Å; R397-F404 HydrophobicContact CG-CZ 4.44Å
398	F	76.9	Confident	77.9	Confident	10 Å²	10	47.2 Å²	47.2	4%	0.044	27%	0.268	C	S	.	.	H	α-helix	trans	-70.3	-16.8	175.7	-60	-66.5	0	0	0	114.7	F363 R366 Q396 F401 F404 D405	F363-F398 HydrophobicContact CD1-CB 4.39Å; R366-F398 HydrophobicContact CB-CE2 4.13Å; R366-F398 HydrophobicContact CG-CE2 4.26Å; Q396-F398 VanDerWaalsContact C-N 3.27Å; Q396-F398 PolarHBondContact O-N 3.29Å; Q396-F398 VanDerWaalsContact O-N 3.12Å; F398-F401 VanDerWaalsContact CA-O 3.31Å; F398-F401 WeakPolarHBondContact CA-O 3.31Å; F398-F401 CarbonylContact O-C 3.55Å; F398-F404 HydrophobicContact CD1-CB 3.75Å; F398-F404 HydrophobicContact CE1-CB 3.69Å; F398-D405 HydrophobicContact CE1-CB 4.37Å; F398-D405 WeakPolarHBondContact CE1-OD1 3.45Å; F398-D405 VanDerWaalsContact CZ-OD1 3.28Å; F398-D405 WeakPolarHBondContact CZ-OD1 3.42Å; F398-D405 VanDerWaalsContact CZ-OD2 3.29Å; F398-D405 WeakPolarHBondContact CZ-OD2 3.47Å
399	R	78.7	Confident	79	Confident	51 Å²	51	44.6 Å²	44.6	19%	0.192	25%	0.248	C	C	.	.	H	α-helix	trans	-81	-22.8	169	-61.1	-177.5	175	161.8	-0.6	112	Q396 R397 P420 E421 N611	Q396-R399 WeakPolarHBondContact O-CA 3.38Å; Q396-R399 VanDerWaalsContact O-CB 3.26Å; Q396-R399 WeakPolarHBondContact O-CB 3.46Å; Q396-R399 PolarHBondContact O-N 3.32Å; R397-R399 PolarHBondContact O-N 2.93Å; R399-P420 CarbonylContact O-C 3.58Å; R399-P420 VanDerWaalsContact O-CA 3.27Å; R399-P420 WeakPolarHBondContact O-CA 3.45Å; R399-E421 PolarHBondContact O-N 2.94Å; R399-N611 PolarHBondContact NH2-ND2 3.24Å
400	L	84.3	Confident	79.8	Confident	13 Å²	13	42.2 Å²	42.2	7%	0.068	23%	0.23	C	C	.	.	H	α-helix	trans	-80.4	-47.6	175.7	-54	179.9	0	0	0	109.7	Q396 R397 L415 P420 E421	Q396-L400 PolarHBondContact O-N 3.42Å; R397-L400 WeakPolarHBondContact O-CA 3.23Å; R397-L400 WeakPolarHBondContact O-CB 3.45Å; R397-L400 PolarHBondContact O-N 2.77Å; L400-L415 HydrophobicContact CD1-CD2 4.15Å; L400-P420 HydrophobicContact CD2-CG 4.39Å; L400-E421 PolarHBondContact O-N 3.21Å
401	F	83.3	Confident	80.4	Confident	4 Å²	4	43.1 Å²	43.1	2%	0.018	24%	0.235	C	C	.	.			trans	-138.8	116.7	175.9	-62.6	-86.1	0	0	0	109.5	R397 F398 R403 F404 I408 V410 A418 E421 I457 Y486	R397-F401 PolarHBondContact O-N 3.02Å; F398-F401 VanDerWaalsContact CA-O 3.31Å; F398-F401 WeakPolarHBondContact CA-O 3.31Å; F398-F401 CarbonylContact O-C 3.55Å; F401-R403 PolarHBondContact O-N 3.17Å; F401-F404 HydrophobicContact CB-CB 4.41Å; F401-F404 HydrophobicContact CB-CD2 4.35Å; F401-F404 HydrophobicContact CD2-CD2 4.41Å; F401-F404 WeakPolarHBondContact O-CB 3.27Å; F401-F404 PolarHBondContact O-N 3.16Å; F401-F404 VanDerWaalsContact O-N 3.09Å; F401-I408 HydrophobicContact CB-CD1 4.45Å; F401-I408 HydrophobicContact CB-CG1 4.07Å; F401-I408 HydrophobicContact CB-CG2 4.19Å; F401-I408 HydrophobicContact CD1-CD1 4.14Å; F401-I408 HydrophobicContact CD1-CG2 4.41Å; F401-I408 HydrophobicContact CD2-CG2 3.68Å; F401-I408 HydrophobicContact CE2-CG2 4.12Å; F401-I408 HydrophobicContact CG-CD1 4.35Å; F401-I408 HydrophobicContact CG-CG1 4.33Å; F401-I408 HydrophobicContact CG-CG2 3.83Å; F401-V410 HydrophobicContact CD2-CG1 4.41Å; F401-V410 HydrophobicContact CE2-CG1 3.88Å; F401-A418 HydrophobicContact CE2-CB 4.45Å; F401-E421 WeakPolarHBondContact CA-OE2 3.39Å; F401-I457 HydrophobicContact CE1-CD1 4.04Å; F401-Y486 WeakPolarHBondContact CA-OH 3.39Å; F401-Y486 WeakPolarHBondContact CB-OH 3.49Å; F401-Y486 AromaticContact CD1-CE2 3.96Å; F401-Y486 HydrophobicContact CD1-CE2 3.96Å
402	S	80.5	Confident	81.2	Confident	42 Å²	42	40.8 Å²	40.8	29%	0.294	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-35.7	175.5	54.9	0	0	0	0	111.7	F404 E421 Y486	S402-F404 VanDerWaalsContact C-N 3.32Å; S402-F404 PolarHBondContact O-N 3.04Å; S402-E421 VanDerWaalsContact CB-OE1 3.28Å; S402-E421 WeakPolarHBondContact CB-OE1 3.29Å; S402-E421 PolarHBondContact N-OE2 3.25Å; S402-E421 VanDerWaalsContact OG-CD 3.23Å; S402-E421 PolarHBondContact OG-OE1 3.15Å; S402-E421 PolarHBondContact OG-OE2 3.11Å; S402-Y486 PolarHBondContact N-OH 3.18Å; S402-Y486 VanDerWaalsContact N-OH 3.15Å; S402-Y486 PolarHBondContact OG-OH 3.16Å
403	R	82.6	Confident	81.7	Confident	103 Å²	103	40 Å²	40	39%	0.389	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	26.1	176.8	-60.1	-174.2	175.2	-169.3	-2.8	114	F401 D405 S406 I408 I485 Y486	F401-R403 PolarHBondContact O-N 3.17Å; R403-D405 VanDerWaalsContact C-N 3.26Å; R403-D405 PolarHBondContact O-N 3.49Å; R403-D405 VanDerWaalsContact O-N 3.14Å; R403-S406 VanDerWaalsContact O-CB 3.29Å; R403-S406 WeakPolarHBondContact O-CB 3.43Å; R403-S406 PolarHBondContact O-N 3.17Å; R403-S406 PolarHBondContact O-OG 2.99Å; R403-I408 VanDerWaalsContact O-CG1 3.3Å; R403-I408 WeakPolarHBondContact O-CG1 3.26Å; R403-I485 HydrophobicContact CB-CG2 4.1Å; R403-I485 PolarHBondContact NH1-O 3.36Å; R403-Y486 HydrophobicContact CB-CE2 3.98Å; R403-Y486 HydrophobicContact CG-CE1 4.19Å; R403-Y486 HydrophobicContact CG-CE2 4.43Å; R403-Y486 PolarHBondContact N-OH 2.97Å
404	F	80.3	Confident	82.2	Confident	16 Å²	16	38.3 Å²	38.3	7%	0.07	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-50.9	-43.9	-173.8	-165.1	-84.1	0	0	0	113.6	W394 R397 F398 F401 S402 S406 I408 V410	W394-F404 HydrophobicContact CE3-CZ 4.46Å; W394-F404 AromaticContact CH2-CE1 3.89Å; W394-F404 HydrophobicContact CH2-CE1 3.89Å; W394-F404 HydrophobicContact CH2-CZ 4.25Å; W394-F404 AromaticContact CZ3-CE1 3.87Å; W394-F404 HydrophobicContact CZ3-CE1 3.87Å; W394-F404 AromaticContact CZ3-CZ 3.76Å; W394-F404 HydrophobicContact CZ3-CZ 3.76Å; R397-F404 HydrophobicContact CB-CD1 4.18Å; R397-F404 HydrophobicContact CB-CD2 3.63Å; R397-F404 HydrophobicContact CB-CE1 4.23Å; R397-F404 HydrophobicContact CB-CE2 3.68Å; R397-F404 HydrophobicContact CB-CG 3.88Å; R397-F404 HydrophobicContact CB-CZ 3.99Å; R397-F404 HydrophobicContact CG-CB 4.35Å; R397-F404 HydrophobicContact CG-CD1 3.85Å; R397-F404 HydrophobicContact CG-CD2 4.13Å; R397-F404 HydrophobicContact CG-CE1 4.18Å; R397-F404 HydrophobicContact CG-CE2 4.42Å; R397-F404 HydrophobicContact CG-CG 3.83Å; R397-F404 HydrophobicContact CG-CZ 4.44Å; F398-F404 HydrophobicContact CD1-CB 3.75Å; F398-F404 HydrophobicContact CE1-CB 3.69Å; F401-F404 HydrophobicContact CB-CB 4.41Å; F401-F404 HydrophobicContact CB-CD2 4.35Å; F401-F404 HydrophobicContact CD2-CD2 4.41Å; F401-F404 WeakPolarHBondContact O-CB 3.27Å; F401-F404 PolarHBondContact O-N 3.16Å; F401-F404 VanDerWaalsContact O-N 3.09Å; S402-F404 VanDerWaalsContact C-N 3.32Å; S402-F404 PolarHBondContact O-N 3.04Å; F404-S406 PolarHBondContact O-N 3.35Å; F404-I408 HydrophobicContact CD2-CB 4.23Å; F404-I408 HydrophobicContact CD2-CG2 3.92Å; F404-I408 HydrophobicContact CE2-CG2 4.08Å; F404-I408 HydrophobicContact CG-CB 4.43Å; F404-I408 WeakPolarHBondContact O-CB 3.48Å; F404-I408 PolarHBondContact O-N 3.23Å; F404-V410 HydrophobicContact CE2-CG1 4.4Å; F404-V410 HydrophobicContact CE2-CG2 3.76Å; F404-V410 HydrophobicContact CZ-CG2 3.8Å
405	D	80.2	Confident	82.7	Confident	92 Å²	92	37.7 Å²	37.7	49%	0.492	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-77.1	-5.9	-177.7	-69.3	-8.7	0	0	0	113.6	R366 F398 R403 G407	R366-D405 IonicContact CZ-OD2 3.32Å; R366-D405 VanDerWaalsContact CZ-OD2 3.29Å; R366-D405 IonicContact NH1-OD2 3.87Å; R366-D405 PolarHBondContact NH1-OD2 3.29Å; R366-D405 IonicContact NH2-OD2 2.62Å; F398-D405 HydrophobicContact CE1-CB 4.37Å; F398-D405 WeakPolarHBondContact CE1-OD1 3.45Å; F398-D405 VanDerWaalsContact CZ-OD1 3.28Å; F398-D405 WeakPolarHBondContact CZ-OD1 3.42Å; F398-D405 VanDerWaalsContact CZ-OD2 3.29Å; F398-D405 WeakPolarHBondContact CZ-OD2 3.47Å; R403-D405 VanDerWaalsContact C-N 3.26Å; R403-D405 PolarHBondContact O-N 3.49Å; R403-D405 VanDerWaalsContact O-N 3.14Å; D405-G407 PolarHBondContact O-N 3.01Å
406	S	81.5	Confident	83.3	Confident	70 Å²	70	37 Å²	37	49%	0.49	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-81	16.5	175.4	-52.8	0	0	0	0	113	R403 F404 I485	R403-S406 VanDerWaalsContact O-CB 3.29Å; R403-S406 WeakPolarHBondContact O-CB 3.43Å; R403-S406 PolarHBondContact O-N 3.17Å; R403-S406 PolarHBondContact O-OG 2.99Å; F404-S406 PolarHBondContact O-N 3.35Å; S406-I485 WeakPolarHBondContact O-CD1 3.44Å
407	G	83	Confident	84	Confident	43 Å²	43	37.5 Å²	37.5	44%	0.443	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	101.8	19.9	178.1	0	0	0	0	0	115.2	D405 Q409 N481 I485	D405-G407 PolarHBondContact O-N 3.01Å; G407-Q409 PolarHBondContact O-N 3.42Å; G407-N481 PolarHBondContact O-ND2 2.94Å; G407-I485 WeakPolarHBondContact O-CD1 3.35Å
408	I	88.4	Confident	84.5	Confident	15 Å²	15	37.6 Å²	37.6	8%	0.077	21%	0.212	C	C	.	.			trans	-61.8	135.1	178.8	-68.1	-68.2	0	0	0	110.4	F401 R403 F404 V410 N482 I485 Y486	F401-I408 HydrophobicContact CB-CD1 4.45Å; F401-I408 HydrophobicContact CB-CG1 4.07Å; F401-I408 HydrophobicContact CB-CG2 4.19Å; F401-I408 HydrophobicContact CD1-CD1 4.14Å; F401-I408 HydrophobicContact CD1-CG2 4.41Å; F401-I408 HydrophobicContact CD2-CG2 3.68Å; F401-I408 HydrophobicContact CE2-CG2 4.12Å; F401-I408 HydrophobicContact CG-CD1 4.35Å; F401-I408 HydrophobicContact CG-CG1 4.33Å; F401-I408 HydrophobicContact CG-CG2 3.83Å; R403-I408 VanDerWaalsContact O-CG1 3.3Å; R403-I408 WeakPolarHBondContact O-CG1 3.26Å; F404-I408 HydrophobicContact CD2-CB 4.23Å; F404-I408 HydrophobicContact CD2-CG2 3.92Å; F404-I408 HydrophobicContact CE2-CG2 4.08Å; F404-I408 HydrophobicContact CG-CB 4.43Å; F404-I408 WeakPolarHBondContact O-CB 3.48Å; F404-I408 PolarHBondContact O-N 3.23Å; I408-V410 HydrophobicContact CG2-CG1 4.14Å; I408-N482 WeakPolarHBondContact CA-OD1 3.31Å; I408-N482 HydrophobicContact CD1-CB 3.78Å; I408-I485 HydrophobicContact CD1-CB 4.24Å; I408-I485 HydrophobicContact CD1-CD1 3.89Å; I408-I485 HydrophobicContact CD1-CG2 4.09Å; I408-I485 HydrophobicContact CG1-CD1 4.28Å; I408-Y486 HydrophobicContact CD1-CD2 4.21Å; I408-Y486 HydrophobicContact CD1-CE2 3.72Å
409	Q	92	Very high	85.2	Confident	44 Å²	44	37.2 Å²	37.2	21%	0.206	21%	0.21	C	C	.	.			trans	-107.5	130.4	178.6	-65.1	175.5	8.7	0	0	110.1	G407 M478 N481 N482	G407-Q409 PolarHBondContact O-N 3.42Å; Q409-M478 HydrophobicContact CB-CB 4.06Å; Q409-M478 HydrophobicContact CB-CG 3.83Å; Q409-N481 WeakPolarHBondContact CG-ND2 3.24Å; Q409-N481 PolarHBondContact NE2-OD1 3.47Å; Q409-N482 PolarHBondContact N-OD1 3.44Å; Q409-N482 PolarHBondContact O-ND2 2.86Å; Q409-N482 PolarHBondContact O-OD1 2.94Å
410	V	88.5	Confident	85.7	Confident	11 Å²	11	35.8 Å²	35.8	7%	0.067	21%	0.208	C	C	.	.			trans	-145	141.5	176.4	-69.2	0	0	0	0	110.1	F401 F404 I408 L415 T452	F401-V410 HydrophobicContact CD2-CG1 4.41Å; F401-V410 HydrophobicContact CE2-CG1 3.88Å; F404-V410 HydrophobicContact CE2-CG1 4.4Å; F404-V410 HydrophobicContact CE2-CG2 3.76Å; F404-V410 HydrophobicContact CZ-CG2 3.8Å; I408-V410 HydrophobicContact CG2-CG1 4.14Å; V410-L415 HydrophobicContact CG2-CD2 3.96Å; V410-L415 HydrophobicContact CG2-CG 4.2Å; V410-T452 HydrophobicContact CG1-CG2 4.41Å
411	D	89.3	Confident	85.8	Confident	29 Å²	29	36.9 Å²	36.9	16%	0.155	21%	0.212	C	C	.	.			trans	-83.5	174	165	65.6	1.2	0	0	0	110.7	D413 S414 L415 R475 M478	D411-D413 PolarHBondContact O-N 3Å; D411-D413 PolarHBondContact OD1-N 3.21Å; D411-S414 PolarHBondContact O-N 2.82Å; D411-S414 WeakPolarHBondContact OD1-CA 3.19Å; D411-S414 WeakPolarHBondContact OD1-CB 3.37Å; D411-S414 PolarHBondContact OD1-N 3.29Å; D411-S414 PolarHBondContact OD1-OG 3.47Å; D411-L415 PolarHBondContact O-N 3.03Å; D411-R475 IonicContact OD2-CZ 3.59Å; D411-R475 IonicContact OD2-NE 2.65Å; D411-R475 PolarHBondContact OD2-NE 3.26Å; D411-R475 IonicContact OD2-NH2 3.76Å; D411-R475 PolarHBondContact OD2-NH2 2.98Å; D411-M478 HydrophobicContact CB-CE 4.14Å; D411-M478 HydrophobicContact CB-SD 4.31Å
412	C	86	Confident	85.8	Confident	40 Å²	40	39.9 Å²	39.9	27%	0.27	23%	0.231	S	C	.	.	H	α-helix	trans	-63	-35.6	179.5	-49.1	0	0	0	0	111.4	C383 M390 S414 L415 F416	C383-C412 WeakPolarHBondContact CB-SG 3.38Å; C383-C412 WeakPolarHBondContact SG-CA 3.37Å; C383-C412 WeakPolarHBondContact SG-CB 3.37Å; C383-C412 PolarHBondContact SG-N 2.93Å; C383-C412 CovalentContact SG-SG 2.04Å; C383-C412 PolarHBondContact SG-SG 3.32Å; M390-C412 HydrophobicContact CE-CB 4.34Å; M390-C412 WeakPolarHBondContact CE-O 3.29Å; C412-S414 PolarHBondContact O-N 3.21Å; C412-L415 WeakPolarHBondContact O-CB 2.93Å; C412-L415 PolarHBondContact O-N 2.82Å; C412-F416 WeakPolarHBondContact O-CD1 3.35Å
413	D	86.3	Confident	86.1	Confident	76 Å²	76	38.2 Å²	38.2	41%	0.406	22%	0.219	S	C	.	.	H	α-helix	trans	-64.4	-41.1	177.1	-77.2	2.8	0	0	0	112.4	D411 L415 F416 S417 R475	D411-D413 PolarHBondContact O-N 3Å; D411-D413 PolarHBondContact OD1-N 3.21Å; D413-L415 PolarHBondContact O-N 3.26Å; D413-F416 VanDerWaalsContact CA-CE1 3.49Å; D413-F416 VanDerWaalsContact CA-CZ 3.48Å; D413-F416 HydrophobicContact CB-CE1 4.36Å; D413-F416 HydrophobicContact CB-CE2 4.4Å; D413-F416 HydrophobicContact CB-CZ 3.92Å; D413-F416 VanDerWaalsContact O-CD2 3.31Å; D413-F416 WeakPolarHBondContact O-CD2 3.33Å; D413-F416 WeakPolarHBondContact O-CE2 3.45Å; D413-F416 WeakPolarHBondContact O-CG 3.49Å; D413-F416 PolarHBondContact O-N 3.25Å; D413-F416 VanDerWaalsContact O-N 3.11Å; D413-F416 VanDerWaalsContact OD1-CZ 3.32Å; D413-F416 WeakPolarHBondContact OD1-CZ 3.27Å; D413-S417 WeakPolarHBondContact O-CB 3.35Å; D413-S417 PolarHBondContact O-N 2.96Å; D413-S417 PolarHBondContact O-OG 3.48Å; D413-R475 IonicContact OD2-NH2 2.68Å; D413-R475 PolarHBondContact OD2-NH2 3.05Å
414	S	86.4	Confident	86.6	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.3	-29.9	179	-67.5	0	0	0	0	112.7	D411 C412 F416 S417 A418 T452	D411-S414 PolarHBondContact O-N 2.82Å; D411-S414 WeakPolarHBondContact OD1-CA 3.19Å; D411-S414 WeakPolarHBondContact OD1-CB 3.37Å; D411-S414 PolarHBondContact OD1-N 3.29Å; D411-S414 PolarHBondContact OD1-OG 3.47Å; C412-S414 PolarHBondContact O-N 3.21Å; S414-F416 PolarHBondContact O-N 2.92Å; S414-S417 WeakPolarHBondContact CA-OG 3.32Å; S414-S417 PolarHBondContact O-N 3.36Å; S414-A418 WeakPolarHBondContact O-CB 3.41Å; S414-A418 PolarHBondContact O-N 3.37Å; S414-T452 WeakPolarHBondContact OG-CG2 3.32Å; S414-T452 PolarHBondContact OG-OG1 3.08Å
415	L	84.7	Confident	86.9	Confident	4 Å²	4	33.8 Å²	33.8	2%	0.021	21%	0.207	C	C	.	.	H	α-helix	trans	-62.1	-27.6	176.1	-76.8	175.2	0	0	0	112.6	M390 Y393 W394 L400 V410 D411 C412 D413	M390-L415 HydrophobicContact CE-CB 3.39Å; M390-L415 HydrophobicContact CE-CD1 3.69Å; M390-L415 HydrophobicContact CE-CG 4.18Å; Y393-L415 WeakPolarHBondContact CB-O 3.28Å; Y393-L415 VanDerWaalsContact CD1-O 3.24Å; Y393-L415 WeakPolarHBondContact CD1-O 3.34Å; W394-L415 HydrophobicContact CE3-CD1 4.45Å; W394-L415 HydrophobicContact CE3-CD2 4.4Å; L400-L415 HydrophobicContact CD1-CD2 4.15Å; V410-L415 HydrophobicContact CG2-CD2 3.96Å; V410-L415 HydrophobicContact CG2-CG 4.2Å; D411-L415 PolarHBondContact O-N 3.03Å; C412-L415 WeakPolarHBondContact O-CB 2.93Å; C412-L415 PolarHBondContact O-N 2.82Å; D413-L415 PolarHBondContact O-N 3.26Å
416	F	84.4	Confident	87.4	Confident	58 Å²	58	32 Å²	32	25%	0.254	20%	0.196	S	C	.	.	H	α-helix	trans	-107.8	-18.8	175.9	62.1	-110.6	0	0	0	114.9	M390 Y393 C412 D413 S414 P535	M390-F416 HydrophobicContact CE-CD1 3.96Å; M390-F416 HydrophobicContact SD-CD1 4.14Å; Y393-F416 HydrophobicContact CD1-CB 3.75Å; Y393-F416 HydrophobicContact CD2-CB 4.19Å; Y393-F416 HydrophobicContact CE1-CB 3.35Å; Y393-F416 HydrophobicContact CE2-CB 3.82Å; Y393-F416 HydrophobicContact CG-CB 4.16Å; C412-F416 WeakPolarHBondContact O-CD1 3.35Å; D413-F416 VanDerWaalsContact CA-CE1 3.49Å; D413-F416 VanDerWaalsContact CA-CZ 3.48Å; D413-F416 HydrophobicContact CB-CE1 4.36Å; D413-F416 HydrophobicContact CB-CE2 4.4Å; D413-F416 HydrophobicContact CB-CZ 3.92Å; D413-F416 VanDerWaalsContact O-CD2 3.31Å; D413-F416 WeakPolarHBondContact O-CD2 3.33Å; D413-F416 WeakPolarHBondContact O-CE2 3.45Å; D413-F416 WeakPolarHBondContact O-CG 3.49Å; D413-F416 PolarHBondContact O-N 3.25Å; D413-F416 VanDerWaalsContact O-N 3.11Å; D413-F416 VanDerWaalsContact OD1-CZ 3.32Å; D413-F416 WeakPolarHBondContact OD1-CZ 3.27Å; S414-F416 PolarHBondContact O-N 2.92Å; F416-P535 HydrophobicContact CB-CG 4.14Å; F416-P535 HydrophobicContact CD1-CG 4.02Å; F416-P535 HydrophobicContact CD2-CG 4.21Å; F416-P535 HydrophobicContact CE1-CG 4.46Å; F416-P535 HydrophobicContact CG-CG 3.88Å
417	S	87.6	Confident	87.9	Confident	60 Å²	60	28.7 Å²	28.7	42%	0.42	17%	0.173	S	C	.	.	H	α-helix	trans	-97.3	-27	-178.8	68.8	0	0	0	0	113.9	D413 S414 T419	D413-S417 WeakPolarHBondContact O-CB 3.35Å; D413-S417 PolarHBondContact O-N 2.96Å; D413-S417 PolarHBondContact O-OG 3.48Å; S414-S417 WeakPolarHBondContact CA-OG 3.32Å; S414-S417 PolarHBondContact O-N 3.36Å; S417-T419 PolarHBondContact O-N 2.58Å
418	A	89.4	Confident	88.4	Confident	9 Å²	9	26.7 Å²	26.7	7%	0.074	15%	0.152	C	C	.	.	S	Bend	trans	-60.5	133.3	-179.7	0	0	0	0	0	111.2	F401 S414 P420	F401-A418 HydrophobicContact CE2-CB 4.45Å; S414-A418 WeakPolarHBondContact O-CB 3.41Å; S414-A418 PolarHBondContact O-N 3.37Å; A418-P420 WeakPolarHBondContact O-CD 3.46Å
419	T	92.8	Very high	88.5	Confident	2 Å²	2	29.9 Å²	29.9	1%	0.012	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-64.8	126.3	174.3	-55.7	0	0	0	0	108.6	S417 E421 I423 A424 S454 N455 F575	S417-T419 PolarHBondContact O-N 2.58Å; T419-E421 PolarHBondContact O-N 3.48Å; T419-I423 HydrophobicContact CG2-CB 3.79Å; T419-I423 HydrophobicContact CG2-CG2 3.65Å; T419-A424 HydrophobicContact CG2-CB 3.85Å; T419-S454 PolarHBondContact N-OG 3.33Å; T419-N455 VanDerWaalsContact CB-OD1 3.24Å; T419-N455 WeakPolarHBondContact CB-OD1 3.34Å; T419-N455 WeakPolarHBondContact CG2-OD1 3.36Å; T419-N455 PolarHBondContact OG1-ND2 3.15Å; T419-N455 VanDerWaalsContact OG1-ND2 3.17Å; T419-N455 PolarHBondContact OG1-OD1 2.82Å; T419-F575 HydrophobicContact CG2-CE1 4.22Å; T419-F575 HydrophobicContact CG2-CZ 4.01Å
420	P	89	Confident	88.4	Confident	21 Å²	21	27.9 Å²	27.9	14%	0.136	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-53.4	135.8	171.8	-27.1	35.3	0	0	0	111.3	R399 L400 A418 V422 I423 A424 I610	R399-P420 CarbonylContact O-C 3.58Å; R399-P420 VanDerWaalsContact O-CA 3.27Å; R399-P420 WeakPolarHBondContact O-CA 3.45Å; L400-P420 HydrophobicContact CD2-CG 4.39Å; A418-P420 WeakPolarHBondContact O-CD 3.46Å; P420-V422 HydrophobicContact CB-CG2 4.48Å; P420-V422 PolarHBondContact O-N 3.18Å; P420-I423 HydrophobicContact CB-CD1 4.35Å; P420-I423 HydrophobicContact CG-CD1 4.14Å; P420-I423 WeakPolarHBondContact O-CA 2.96Å; P420-I423 WeakPolarHBondContact O-CB 3.42Å; P420-I423 PolarHBondContact O-N 2.7Å; P420-A424 PolarHBondContact O-N 3.27Å; P420-A424 VanDerWaalsContact O-N 3.09Å; P420-I610 HydrophobicContact CB-CD1 3.54Å; P420-I610 HydrophobicContact CG-CD1 3.81Å
421	E	86.5	Confident	88.7	Confident	35 Å²	35	27.4 Å²	27.4	16%	0.164	15%	0.152	C	C	.	.	H	α-helix	trans	-51.2	-41.7	-170.7	-170.7	169.1	121.7	0	0	112.6	R399 L400 F401 S402 T419 I423 A424 A425 Q458 Y486	R399-E421 PolarHBondContact O-N 2.94Å; L400-E421 PolarHBondContact O-N 3.21Å; F401-E421 WeakPolarHBondContact CA-OE2 3.39Å; S402-E421 VanDerWaalsContact CB-OE1 3.28Å; S402-E421 WeakPolarHBondContact CB-OE1 3.29Å; S402-E421 PolarHBondContact N-OE2 3.25Å; S402-E421 VanDerWaalsContact OG-CD 3.23Å; S402-E421 PolarHBondContact OG-OE1 3.15Å; S402-E421 PolarHBondContact OG-OE2 3.11Å; T419-E421 PolarHBondContact O-N 3.48Å; E421-I423 VanDerWaalsContact C-N 3.31Å; E421-I423 PolarHBondContact O-N 3.12Å; E421-A424 PolarHBondContact O-N 2.96Å; E421-A425 VanDerWaalsContact O-CB 3.24Å; E421-A425 WeakPolarHBondContact O-CB 3.43Å; E421-A425 PolarHBondContact O-N 2.86Å; E421-Q458 VanDerWaalsContact CG-NE2 3.34Å; E421-Y486 PolarHBondContact OE2-OH 2.93Å
422	V	81.8	Confident	88.8	Confident	68 Å²	68	28.3 Å²	28.3	41%	0.412	15%	0.154	S	C	.	.	H	α-helix	trans	-63.2	-33.1	178.8	-62.6	0	0	0	0	113.6	P420 H426 I610	P420-V422 HydrophobicContact CB-CG2 4.48Å; P420-V422 PolarHBondContact O-N 3.18Å; V422-H426 WeakPolarHBondContact O-CB 3.35Å; V422-H426 PolarHBondContact O-N 3.25Å; V422-I610 HydrophobicContact CG2-CD1 3.79Å; V422-I610 HydrophobicContact CG2-CG1 4.04Å
423	I	86.8	Confident	89	Confident	6 Å²	6	30.8 Å²	30.8	3%	0.031	16%	0.158	C	C	.	.	H	α-helix	trans	-76	-46.4	175.9	-66.2	174	0	0	0	109.3	T419 P420 E421 A425 H426 Q427 F575 N608 I610 K615	T419-I423 HydrophobicContact CG2-CB 3.79Å; T419-I423 HydrophobicContact CG2-CG2 3.65Å; P420-I423 HydrophobicContact CB-CD1 4.35Å; P420-I423 HydrophobicContact CG-CD1 4.14Å; P420-I423 WeakPolarHBondContact O-CA 2.96Å; P420-I423 WeakPolarHBondContact O-CB 3.42Å; P420-I423 PolarHBondContact O-N 2.7Å; E421-I423 VanDerWaalsContact C-N 3.31Å; E421-I423 PolarHBondContact O-N 3.12Å; I423-A425 VanDerWaalsContact C-N 3.33Å; I423-A425 PolarHBondContact O-N 3.36Å; I423-H426 WeakPolarHBondContact O-CB 3.01Å; I423-H426 PolarHBondContact O-N 3.39Å; I423-H426 VanDerWaalsContact O-N 3.15Å; I423-Q427 HydrophobicContact CG2-CG 4.43Å; I423-Q427 WeakPolarHBondContact O-CG 3.06Å; I423-Q427 PolarHBondContact O-N 2.89Å; I423-F575 HydrophobicContact CG2-CE2 3.85Å; I423-F575 HydrophobicContact CG2-CZ 4.25Å; I423-N608 HydrophobicContact CD1-CB 3.74Å; I423-N608 HydrophobicContact CG1-CB 4.12Å; I423-N608 HydrophobicContact CG2-CB 4.31Å; I423-I610 HydrophobicContact CD1-CD1 3.8Å; I423-I610 HydrophobicContact CD1-CG1 4.09Å; I423-I610 HydrophobicContact CG1-CD1 4.13Å; I423-I610 HydrophobicContact CG1-CG1 4.29Å; I423-K615 HydrophobicContact CD1-CB 3.95Å; I423-K615 HydrophobicContact CD1-CG 4.5Å
424	A	93.4	Very high	89.3	Confident	1 Å²	1	28 Å²	28	1%	0.008	14%	0.144	C	C	.	.	H	α-helix	trans	-59.3	-43.7	177.9	0	0	0	0	0	111.6	T419 P420 E421 H426 Q427 A428 N455 Q458	T419-A424 HydrophobicContact CG2-CB 3.85Å; P420-A424 PolarHBondContact O-N 3.27Å; P420-A424 VanDerWaalsContact O-N 3.09Å; E421-A424 PolarHBondContact O-N 2.96Å; A424-H426 VanDerWaalsContact C-N 3.34Å; A424-H426 PolarHBondContact O-N 3.49Å; A424-Q427 PolarHBondContact O-N 2.91Å; A424-A428 WeakPolarHBondContact O-CB 3.24Å; A424-A428 PolarHBondContact O-N 3.3Å; A424-N455 WeakPolarHBondContact CB-OD1 3.41Å; A424-Q458 HydrophobicContact CB-CB 4.16Å; A424-Q458 HydrophobicContact CB-CG 3.67Å
425	A	87.5	Confident	89.5	Confident	26 Å²	26	29.7 Å²	29.7	22%	0.215	15%	0.151	C	C	.	.	H	α-helix	trans	-61.3	-40.6	175.4	0	0	0	0	0	112.2	E421 I423 K429 Q458	E421-A425 VanDerWaalsContact O-CB 3.24Å; E421-A425 WeakPolarHBondContact O-CB 3.43Å; E421-A425 PolarHBondContact O-N 2.86Å; I423-A425 VanDerWaalsContact C-N 3.33Å; I423-A425 PolarHBondContact O-N 3.36Å; A425-K429 WeakPolarHBondContact O-CB 3.48Å; A425-K429 PolarHBondContact O-N 3.24Å; A425-Q458 HydrophobicContact CB-CG 4.35Å; A425-Q458 VanDerWaalsContact CB-OE1 3.27Å
426	H	89.3	Confident	89.8	Confident	55 Å²	55	32.8 Å²	32.8	26%	0.255	17%	0.17	S	C	.	.	H	α-helix	trans	-65.9	-44.5	175.9	172.4	74.1	0	0	0	112	V422 I423 A424 A428 K429 R430 E606	V422-H426 WeakPolarHBondContact O-CB 3.35Å; V422-H426 PolarHBondContact O-N 3.25Å; I423-H426 WeakPolarHBondContact O-CB 3.01Å; I423-H426 PolarHBondContact O-N 3.39Å; I423-H426 VanDerWaalsContact O-N 3.15Å; A424-H426 VanDerWaalsContact C-N 3.34Å; A424-H426 PolarHBondContact O-N 3.49Å; H426-A428 PolarHBondContact O-N 2.91Å; H426-K429 PolarHBondContact O-N 2.84Å; H426-R430 PolarHBondContact O-N 3.31Å; H426-E606 IonicContact CD2-OE1 3.11Å; H426-E606 IonicContact CD2-OE2 3.73Å; H426-E606 PolarHBondContact CD2-OE2 2.84Å; H426-E606 IonicContact CE1-OE1 3.32Å; H426-E606 IonicContact NE2-OE1 3.98Å; H426-E606 PolarHBondContact NE2-OE1 3.44Å; H426-E606 IonicContact NE2-OE2 2.64Å; H426-E606 PolarHBondContact NE2-OE2 2.96Å
427	Q	93.1	Very high	89.6	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.9	-46.2	175	-70.1	170.7	-25.5	0	0	111.3	I423 A424 K429 R430 I431 N455 L527 T618 Y620	I423-Q427 HydrophobicContact CG2-CG 4.43Å; I423-Q427 WeakPolarHBondContact O-CG 3.06Å; I423-Q427 PolarHBondContact O-N 2.89Å; A424-Q427 PolarHBondContact O-N 2.91Å; Q427-K429 PolarHBondContact O-N 2.65Å; Q427-R430 WeakPolarHBondContact O-CB 3.47Å; Q427-R430 PolarHBondContact O-N 3.36Å; Q427-R430 VanDerWaalsContact O-N 3.17Å; Q427-I431 PolarHBondContact O-N 2.79Å; Q427-I431 VanDerWaalsContact O-N 3.13Å; Q427-N455 PolarHBondContact OE1-OD1 3.25Å; Q427-L527 HydrophobicContact CB-CD1 4.44Å; Q427-L527 HydrophobicContact CG-CD1 4.49Å; Q427-T618 HydrophobicContact CG-CG2 4.36Å; Q427-T618 PolarHBondContact NE2-OG1 2.79Å; Q427-Y620 WeakPolarHBondContact CG-OH 3.43Å
428	A	93.5	Very high	89.4	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.5	-44.4	174.4	0	0	0	0	0	112.6	A424 H426 R430 I431 Y432 Q458 F459 R462	A424-A428 WeakPolarHBondContact O-CB 3.24Å; A424-A428 PolarHBondContact O-N 3.3Å; H426-A428 PolarHBondContact O-N 2.91Å; A428-R430 VanDerWaalsContact C-N 3.28Å; A428-R430 PolarHBondContact O-N 2.86Å; A428-I431 PolarHBondContact O-N 3.29Å; A428-Y432 WeakPolarHBondContact O-CB 3.41Å; A428-Y432 PolarHBondContact O-N 3.06Å; A428-Q458 HydrophobicContact CB-CB 3.98Å; A428-Q458 WeakPolarHBondContact CB-O 3.5Å; A428-F459 HydrophobicContact CB-CD1 3.57Å; A428-F459 HydrophobicContact CB-CE1 3.88Å; A428-F459 HydrophobicContact CB-CG 4.48Å; A428-R462 HydrophobicContact CB-CG 4.05Å
429	K	89.9	Confident	89	Confident	83 Å²	83	37.4 Å²	37.4	36%	0.361	21%	0.205	S	C	.	.	H	α-helix	trans	-60	-37.5	175.2	-175.5	174.2	-175.6	170.2	0	112	A425 H426 Q427 Y432 R433	A425-K429 WeakPolarHBondContact O-CB 3.48Å; A425-K429 PolarHBondContact O-N 3.24Å; H426-K429 PolarHBondContact O-N 2.84Å; Q427-K429 PolarHBondContact O-N 2.65Å; K429-Y432 PolarHBondContact O-N 3.09Å; K429-R433 WeakPolarHBondContact O-CG 3.24Å; K429-R433 PolarHBondContact O-N 3.36Å
430	R	90.5	Very high	88.5	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.008	24%	0.24	C	C	.	.	H	α-helix	trans	-66.6	-43.1	177.2	-78	-166.7	56	149.5	6.7	112.6	H426 Q427 A428 R433 E604 E606 Y620 L624	H426-R430 PolarHBondContact O-N 3.31Å; Q427-R430 WeakPolarHBondContact O-CB 3.47Å; Q427-R430 PolarHBondContact O-N 3.36Å; Q427-R430 VanDerWaalsContact O-N 3.17Å; A428-R430 VanDerWaalsContact C-N 3.28Å; A428-R430 PolarHBondContact O-N 2.86Å; R430-R433 PolarHBondContact O-N 3.3Å; R430-E604 IonicContact CZ-OE1 3.78Å; R430-E604 IonicContact CZ-OE2 2.81Å; R430-E604 IonicContact NH1-OE1 3.03Å; R430-E604 PolarHBondContact NH1-OE1 3.3Å; R430-E604 IonicContact NH1-OE2 3.59Å; R430-E604 IonicContact NH2-OE1 2.78Å; R430-E604 PolarHBondContact NH2-OE1 2.75Å; R430-E604 VanDerWaalsContact NH2-OE1 3.15Å; R430-E604 IonicContact NH2-OE2 2.85Å; R430-E604 PolarHBondContact NH2-OE2 3.29Å; R430-E606 WeakPolarHBondContact CD-OE1 3.41Å; R430-E606 IonicContact CZ-OE1 3.92Å; R430-E606 IonicContact NH1-OE1 2.82Å; R430-E606 PolarHBondContact NH1-OE1 3.26Å; R430-Y620 HydrophobicContact CB-CE1 4.33Å; R430-Y620 WeakPolarHBondContact CD-OH 2.87Å; R430-Y620 VanDerWaalsContact CZ-CD2 3.42Å; R430-Y620 VanDerWaalsContact NH1-CE2 3.34Å; R430-L624 PolarHBondContact NH2-O 2.86Å
431	I	94.1	Very high	88.2	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.3	-44.1	175.4	-60	-174.4	0	0	0	110.1	Q427 A428 R433 V434 F435 V445 F459 F464 A525 L624	Q427-I431 PolarHBondContact O-N 2.79Å; Q427-I431 VanDerWaalsContact O-N 3.13Å; A428-I431 PolarHBondContact O-N 3.29Å; I431-R433 VanDerWaalsContact C-N 3.32Å; I431-R433 PolarHBondContact O-N 2.85Å; I431-V434 PolarHBondContact O-N 3Å; I431-F435 HydrophobicContact CG2-CD2 4.22Å; I431-F435 PolarHBondContact O-N 2.83Å; I431-V445 HydrophobicContact CD1-CG1 4.36Å; I431-V445 HydrophobicContact CG2-CG2 4.2Å; I431-F459 HydrophobicContact CD1-CD1 4.35Å; I431-F459 HydrophobicContact CD1-CE1 3.54Å; I431-F459 HydrophobicContact CD1-CZ 3.96Å; I431-F459 HydrophobicContact CG1-CE1 4.34Å; I431-F464 HydrophobicContact CB-CZ 4.46Å; I431-F464 HydrophobicContact CG2-CE1 4.4Å; I431-F464 HydrophobicContact CG2-CE2 4.21Å; I431-F464 HydrophobicContact CG2-CZ 3.81Å; I431-A525 HydrophobicContact CD1-CB 4.14Å; I431-A525 HydrophobicContact CG2-CB 3.82Å; I431-L624 HydrophobicContact CB-CD2 4.43Å; I431-L624 HydrophobicContact CD1-CD1 4.46Å; I431-L624 HydrophobicContact CG1-CD1 4.26Å; I431-L624 HydrophobicContact CG1-CD2 4.1Å; I431-L624 HydrophobicContact CG2-CD2 4.38Å
432	Y	91.9	Very high	88.3	Confident	48 Å²	48	46.5 Å²	46.5	19%	0.188	26%	0.255	C	S	.	.	H	α-helix	trans	-55.2	-42.1	175.8	-176.4	-91.1	0	0	0	113.2	A428 K429 V434 F435 T436 R462 F464 Y644	A428-Y432 WeakPolarHBondContact O-CB 3.41Å; A428-Y432 PolarHBondContact O-N 3.06Å; K429-Y432 PolarHBondContact O-N 3.09Å; Y432-V434 PolarHBondContact O-N 2.98Å; Y432-F435 CarbonylContact O-C 3.59Å; Y432-F435 VanDerWaalsContact O-C 3.27Å; Y432-F435 PolarHBondContact O-N 2.96Å; Y432-T436 HydrophobicContact CE1-CG2 4.12Å; Y432-T436 HydrophobicContact CE2-CG2 4.15Å; Y432-T436 PolarHBondContact O-N 2.91Å; Y432-T436 VanDerWaalsContact O-N 3.17Å; Y432-T436 PolarHBondContact O-OG1 3.29Å; Y432-R462 HydrophobicContact CD2-CB 4Å; Y432-F464 HydrophobicContact CD2-CE2 4.34Å; Y432-F464 HydrophobicContact CD2-CZ 4.44Å; Y432-Y644 PolarHBondContact OH-OH 2.81Å
433	R	90.8	Very high	88.9	Confident	92 Å²	92	47.2 Å²	47.2	35%	0.347	25%	0.251	S	S	.	.	H	α-helix	trans	-60.9	-24.4	176.7	-78.7	174.3	171	175.1	-1.5	114.4	K429 R430 I431 N628	K429-R433 WeakPolarHBondContact O-CG 3.24Å; K429-R433 PolarHBondContact O-N 3.36Å; R430-R433 PolarHBondContact O-N 3.3Å; I431-R433 VanDerWaalsContact C-N 3.32Å; I431-R433 PolarHBondContact O-N 2.85Å; R433-N628 PolarHBondContact NH1-OD1 3.1Å
434	V	91.5	Very high	89.3	Confident	18 Å²	18	48 Å²	48	11%	0.109	26%	0.256	C	S	.	.	H	α-helix	trans	-94	-38	178.6	-177.7	0	0	0	0	110.5	I431 Y432 A623 L624 A627	I431-V434 PolarHBondContact O-N 3Å; Y432-V434 PolarHBondContact O-N 2.98Å; V434-A623 HydrophobicContact CG1-CB 3.97Å; V434-L624 HydrophobicContact CB-CD2 4.2Å; V434-L624 HydrophobicContact CG1-CD2 4.43Å; V434-L624 HydrophobicContact CG2-CD2 4.17Å; V434-A627 HydrophobicContact CG2-CB 3.46Å; V434-A627 VanDerWaalsContact CG2-CB 3.46Å
435	F	91.9	Very high	89.5	Confident	35 Å²	35	48 Å²	48	15%	0.154	26%	0.256	C	S	.	.	S	Bend	trans	-130.1	77.7	-174.2	-56.6	-70	0	0	0	110.4	I431 Y432 P437 Y443 F464 T524 A525 N571 A623 L624	I431-F435 HydrophobicContact CG2-CD2 4.22Å; I431-F435 PolarHBondContact O-N 2.83Å; Y432-F435 CarbonylContact O-C 3.59Å; Y432-F435 VanDerWaalsContact O-C 3.27Å; Y432-F435 PolarHBondContact O-N 2.96Å; F435-P437 WeakPolarHBondContact O-CD 3.4Å; F435-Y443 HydrophobicContact CB-CD2 4.17Å; F435-Y443 HydrophobicContact CB-CE2 4.36Å; F435-Y443 HydrophobicContact CB-CG 4.46Å; F435-F464 HydrophobicContact CB-CE1 4.32Å; F435-F464 VanDerWaalsContact O-CE1 3.24Å; F435-F464 WeakPolarHBondContact O-CE1 3.46Å; F435-F464 VanDerWaalsContact O-CZ 3.26Å; F435-F464 WeakPolarHBondContact O-CZ 3.33Å; F435-T524 HydrophobicContact CB-CG2 3.69Å; F435-T524 HydrophobicContact CD1-CG2 3.43Å; F435-T524 VanDerWaalsContact CD1-CG2 3.43Å; F435-T524 HydrophobicContact CD2-CG2 3.63Å; F435-T524 HydrophobicContact CE1-CG2 3.86Å; F435-T524 HydrophobicContact CE2-CG2 4.02Å; F435-T524 HydrophobicContact CG-CG2 3.29Å; F435-T524 HydrophobicContact CZ-CG2 4.13Å; F435-A525 HydrophobicContact CE2-CB 4.48Å; F435-N571 HydrophobicContact CE2-CB 4.32Å; F435-N571 HydrophobicContact CZ-CB 4.48Å; F435-A623 HydrophobicContact CZ-CB 4.39Å; F435-L624 HydrophobicContact CD2-CD2 4.18Å; F435-L624 HydrophobicContact CE2-CD2 3.81Å
436	T	89.6	Confident	90	Very high	69 Å²	69	46.7 Å²	46.7	42%	0.423	25%	0.246	S	C	.	.			trans	-74.4	110.5	178.3	-53.3	0	0	0	0	110	Y432 S438 Y443	Y432-T436 HydrophobicContact CE1-CG2 4.12Å; Y432-T436 HydrophobicContact CE2-CG2 4.15Å; Y432-T436 PolarHBondContact O-N 2.91Å; Y432-T436 VanDerWaalsContact O-N 3.17Å; Y432-T436 PolarHBondContact O-OG1 3.29Å; T436-S438 PolarHBondContact O-N 3.44Å; T436-Y443 WeakPolarHBondContact O-CE2 3.27Å
437	P	80.5	Confident	90.5	Very high	18 Å²	18	44.1 Å²	44.1	12%	0.117	23%	0.234	C	C	.	.			trans	-62.4	122.4	177.9	-18	32.4	0	0	0	110.3	F435 T439 S442 Y443 F464	F435-P437 WeakPolarHBondContact O-CD 3.4Å; P437-T439 WeakPolarHBondContact CB-O 3.5Å; P437-T439 PolarHBondContact O-N 3.3Å; P437-S442 VanDerWaalsContact CA-OG 3.31Å; P437-S442 WeakPolarHBondContact CA-OG 3.48Å; P437-S442 WeakPolarHBondContact CB-OG 3.47Å; P437-Y443 HydrophobicContact CB-CD2 4.13Å; P437-Y443 HydrophobicContact CG-CD2 4.12Å; P437-F464 HydrophobicContact CG-CD1 3.81Å; P437-F464 HydrophobicContact CG-CE1 3.73Å; P437-F464 HydrophobicContact CG-CG 4.4Å; P437-F464 HydrophobicContact CG-CZ 4.27Å
438	S	83.5	Confident	90.7	Very high	111 Å²	111	44.1 Å²	44.1	78%	0.776	23%	0.234	S	C	*	.	S	Bend	trans	-70.6	-27.2	175.2	-50.6	0	0	0	0	111.7	T436 S442	T436-S438 PolarHBondContact O-N 3.44Å; S438-S442 PolarHBondContact N-OG 3.29Å
439	T	81.4	Confident	90.8	Very high	96 Å²	96	45.5 Å²	45.5	59%	0.589	24%	0.24	S	C	*	.	S	Bend	trans	-135.2	148	170.7	55.1	0	0	0	0	108.3	P437 G441 S442	P437-T439 WeakPolarHBondContact CB-O 3.5Å; P437-T439 PolarHBondContact O-N 3.3Å; T439-G441 PolarHBondContact O-N 3.47Å; T439-S442 VanDerWaalsContact O-CB 3.28Å; T439-S442 WeakPolarHBondContact O-CB 3.42Å; T439-S442 PolarHBondContact O-N 3.01Å; T439-S442 PolarHBondContact O-OG 3.49Å
440	K	82.6	Confident	91.2	Very high	170 Å²	170	41.8 Å²	41.8	74%	0.739	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	128	176.2	-71.8	-173.4	179.6	179.8	0	109.4	G463	K440-G463 CarbonylContact C-O 3.5Å; K440-G463 WeakPolarHBondContact CA-O 3.23Å
441	G	82.1	Confident	91.4	Very high	25 Å²	25	42.1 Å²	42.1	26%	0.258	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	0.3	-179	0	0	0	0	0	115.6	T439 Y443 G463	T439-G441 PolarHBondContact O-N 3.47Å; G441-Y443 VanDerWaalsContact C-N 3.27Å; G441-Y443 PolarHBondContact O-N 2.92Å; G441-G463 PolarHBondContact N-O 3.18Å
442	S	88.1	Confident	91.5	Very high	53 Å²	53	42.2 Å²	42.2	37%	0.371	23%	0.229	S	C	.	.	S	Bend	trans	-66.7	-26.9	-177.3	74.8	0	0	0	0	114	P437 S438 T439	P437-S442 VanDerWaalsContact CA-OG 3.31Å; P437-S442 WeakPolarHBondContact CA-OG 3.48Å; P437-S442 WeakPolarHBondContact CB-OG 3.47Å; S438-S442 PolarHBondContact N-OG 3.29Å; T439-S442 VanDerWaalsContact O-CB 3.28Å; T439-S442 WeakPolarHBondContact O-CB 3.42Å; T439-S442 PolarHBondContact O-N 3.01Å; T439-S442 PolarHBondContact O-OG 3.49Å
443	Y	94.1	Very high	91.8	Very high	83 Å²	83	40 Å²	40	33%	0.325	22%	0.221	S	C	.	.	S	Bend	trans	-114.9	136.2	175.2	-70.8	-58	0	0	0	110	F435 T436 P437 G441 R465 T524	F435-Y443 HydrophobicContact CB-CD2 4.17Å; F435-Y443 HydrophobicContact CB-CE2 4.36Å; F435-Y443 HydrophobicContact CB-CG 4.46Å; T436-Y443 WeakPolarHBondContact O-CE2 3.27Å; P437-Y443 HydrophobicContact CB-CD2 4.13Å; P437-Y443 HydrophobicContact CG-CD2 4.12Å; G441-Y443 VanDerWaalsContact C-N 3.27Å; G441-Y443 PolarHBondContact O-N 2.92Å; Y443-R465 PolarHBondContact O-N 3.24Å; Y443-T524 HydrophobicContact CD1-CG2 3.68Å; Y443-T524 VanDerWaalsContact CD1-OG1 3.29Å; Y443-T524 WeakPolarHBondContact CD1-OG1 3.38Å; Y443-T524 HydrophobicContact CE1-CG2 4.31Å; Y443-T524 HydrophobicContact CG-CG2 4.01Å
444	T	96.3	Very high	92.1	Very high	23 Å²	23	36 Å²	36	14%	0.141	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	121.9	179	-60.7	0	0	0	0	110.2	R465 I467 Y523 T524	T444-R465 CarbonylContact C-O 3.56Å; T444-R465 VanDerWaalsContact CA-O 3.23Å; T444-R465 WeakPolarHBondContact CA-O 3.24Å; T444-I467 HydrophobicContact CG2-CD1 3.89Å; T444-I467 HydrophobicContact CG2-CG1 3.84Å; T444-Y523 HydrophobicContact CG2-CD1 3.93Å; T444-Y523 HydrophobicContact CG2-CE1 4.42Å; T444-T524 PolarHBondContact N-OG1 2.88Å; T444-T524 WeakPolarHBondContact O-CB 3.26Å; T444-T524 PolarHBondContact O-N 3.33Å; T444-T524 PolarHBondContact O-OG1 3.02Å
445	V	97.9	Very high	92.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	137.6	174.7	177.6	0	0	0	0	109.5	I431 F459 F464 R465 V466 I467 A525	I431-V445 HydrophobicContact CD1-CG1 4.36Å; I431-V445 HydrophobicContact CG2-CG2 4.2Å; V445-F459 HydrophobicContact CG1-CD1 4.27Å; V445-F459 HydrophobicContact CG1-CD2 3.98Å; V445-F459 HydrophobicContact CG1-CE1 4.46Å; V445-F459 HydrophobicContact CG1-CE2 4.16Å; V445-F459 HydrophobicContact CG1-CG 4.07Å; V445-F459 HydrophobicContact CG1-CZ 4.42Å; V445-F464 HydrophobicContact CB-CB 4.45Å; V445-F464 HydrophobicContact CG2-CB 4Å; V445-F464 HydrophobicContact CG2-CD1 3.55Å; V445-F464 HydrophobicContact CG2-CD2 4.16Å; V445-F464 HydrophobicContact CG2-CE1 3.98Å; V445-F464 HydrophobicContact CG2-CG 3.64Å; V445-F464 HydrophobicContact CG2-CZ 4.45Å; V445-R465 PolarHBondContact N-O 3.26Å; V445-V466 CarbonylContact O-C 3.53Å; V445-V466 VanDerWaalsContact O-CA 3.31Å; V445-V466 WeakPolarHBondContact O-CA 3.45Å; V445-I467 PolarHBondContact O-N 2.83Å; V445-A525 CarbonylContact C-O 3.54Å; V445-A525 WeakPolarHBondContact CA-O 3.45Å
446	L	98.4	Very high	92.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	128.3	172.7	-53.8	-179.6	0	0	0	109.7	I448 I467 W502 Y523 A525 A526 L527 L567 T568	L446-I448 HydrophobicContact CB-CD1 4.39Å; L446-I448 HydrophobicContact CB-CG1 4.01Å; L446-I467 WeakPolarHBondContact CA-O 3.19Å; L446-I467 HydrophobicContact CD2-CB 3.76Å; L446-I467 HydrophobicContact CD2-CD1 4.07Å; L446-I467 HydrophobicContact CD2-CG1 4.28Å; L446-I467 HydrophobicContact CD2-CG2 4.38Å; L446-W502 HydrophobicContact CD1-CH2 4.13Å; L446-W502 HydrophobicContact CD1-CZ3 4.19Å; L446-W502 HydrophobicContact CD2-CH2 3.8Å; L446-Y523 HydrophobicContact CD1-CD1 4.33Å; L446-Y523 HydrophobicContact CD1-CD2 4.08Å; L446-Y523 HydrophobicContact CD1-CG 3.87Å; L446-Y523 HydrophobicContact CD2-CD1 3.49Å; L446-Y523 VanDerWaalsContact CD2-CD1 3.49Å; L446-Y523 HydrophobicContact CD2-CE1 3.82Å; L446-Y523 HydrophobicContact CD2-CG 3.9Å; L446-Y523 HydrophobicContact CG-CD1 4.08Å; L446-Y523 HydrophobicContact CG-CG 4Å; L446-A525 PolarHBondContact N-O 3.28Å; L446-A526 HydrophobicContact CB-CB 3.84Å; L446-A526 HydrophobicContact CD1-CB 4.4Å; L446-A526 HydrophobicContact CG-CB 4.49Å; L446-A526 CarbonylContact O-C 3.27Å; L446-A526 VanDerWaalsContact O-CA 3.3Å; L446-A526 WeakPolarHBondContact O-CA 3.45Å; L446-L527 PolarHBondContact O-N 3.44Å; L446-L567 HydrophobicContact CD1-CB 4.41Å; L446-L567 HydrophobicContact CD1-CD1 4.37Å; L446-T568 HydrophobicContact CD1-CG2 4.26Å
447	D	98.5	Very high	93.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	97.5	164.3	-171	11	0	0	0	108	C450 A456 V466 I467 A468 I469	D447-C450 HydrophobicContact CB-CB 4.14Å; D447-C450 WeakPolarHBondContact OD2-CB 3.43Å; D447-A456 HydrophobicContact CB-CB 4.19Å; D447-A456 WeakPolarHBondContact OD2-CA 3.31Å; D447-A456 WeakPolarHBondContact OD2-CB 3.28Å; D447-A456 PolarHBondContact OD2-N 3.42Å; D447-V466 HydrophobicContact CB-CG1 4.19Å; D447-I467 PolarHBondContact N-O 3.35Å; D447-A468 HydrophobicContact CB-CB 4.49Å; D447-I469 PolarHBondContact O-N 2.88Å
448	I	97.2	Very high	93.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	122.6	-174	-56	169.5	0	0	0	108.2	L446 Y499 A526 L527 M528 S529 A564	L446-I448 HydrophobicContact CB-CD1 4.39Å; L446-I448 HydrophobicContact CB-CG1 4.01Å; I448-Y499 HydrophobicContact CB-CD2 4.46Å; I448-Y499 HydrophobicContact CB-CE2 4.37Å; I448-Y499 HydrophobicContact CD1-CE2 3.64Å; I448-Y499 HydrophobicContact CG1-CD2 4.29Å; I448-Y499 HydrophobicContact CG1-CE2 3.83Å; I448-Y499 HydrophobicContact CG2-CD1 3.87Å; I448-Y499 HydrophobicContact CG2-CD2 3.43Å; I448-Y499 VanDerWaalsContact CG2-CD2 3.43Å; I448-Y499 HydrophobicContact CG2-CE1 4.01Å; I448-Y499 HydrophobicContact CG2-CE2 3.59Å; I448-Y499 HydrophobicContact CG2-CG 3.57Å; I448-A526 HydrophobicContact CD1-CB 3.72Å; I448-A526 HydrophobicContact CG1-CB 4.43Å; I448-L527 WeakPolarHBondContact CB-O 3.38Å; I448-L527 PolarHBondContact N-O 3.38Å; I448-M528 HydrophobicContact CB-CG 3.95Å; I448-M528 HydrophobicContact CD1-CG 3.61Å; I448-M528 HydrophobicContact CD1-SD 4.4Å; I448-M528 HydrophobicContact CG1-CG 4.31Å; I448-M528 HydrophobicContact CG2-CG 4.31Å; I448-S529 PolarHBondContact O-N 3.47Å; I448-S529 VanDerWaalsContact O-N 3.1Å; I448-A564 HydrophobicContact CD1-CB 3.77Å
449	F	96.5	Very high	94.6	Very high	30 Å²	30	25 Å²	25	13%	0.132	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	56.9	-168	-44.4	-70.3	0	0	0	111.1	G451 I469 Y499 M528 S529 P530 F550	F449-G451 PolarHBondContact O-N 3.34Å; F449-I469 WeakPolarHBondContact CA-O 3.49Å; F449-I469 PolarHBondContact N-O 2.86Å; F449-Y499 HydrophobicContact CE2-CD1 4.43Å; F449-Y499 AromaticContact CZ-CD1 3.86Å; F449-Y499 HydrophobicContact CZ-CD1 3.86Å; F449-Y499 HydrophobicContact CZ-CG 4.18Å; F449-M528 HydrophobicContact CE2-CE 4.36Å; F449-S529 WeakPolarHBondContact CB-O 3.39Å; F449-P530 HydrophobicContact CD2-CB 3.97Å; F449-P530 HydrophobicContact CE2-CB 4.01Å; F449-F550 HydrophobicContact CD2-CE1 4.49Å; F449-F550 AromaticContact CE1-CD1 3.86Å; F449-F550 HydrophobicContact CE1-CD1 3.86Å; F449-F550 AromaticContact CE1-CE1 3.68Å; F449-F550 HydrophobicContact CE1-CE1 3.68Å; F449-F550 AromaticContact CE2-CE1 3.63Å; F449-F550 HydrophobicContact CE2-CE1 3.63Å; F449-F550 HydrophobicContact CE2-CZ 4.17Å; F449-F550 AromaticContact CZ-CD1 3.72Å; F449-F550 HydrophobicContact CZ-CD1 3.72Å; F449-F550 AromaticContact CZ-CE1 3.16Å; F449-F550 HydrophobicContact CZ-CE1 3.16Å; F449-F550 AromaticContact CZ-CZ 3.97Å; F449-F550 HydrophobicContact CZ-CZ 3.97Å
450	C	97.4	Very high	95.4	Very high	4 Å²	4	20.5 Å²	20.5	3%	0.027	11%	0.109	C	C	.	.			trans	-67.8	-17.9	-169	71.1	0	0	0	0	114.2	D447 T452 G453 A468 I469 E470	D447-C450 HydrophobicContact CB-CB 4.14Å; D447-C450 WeakPolarHBondContact OD2-CB 3.43Å; C450-T452 PolarHBondContact O-N 3.02Å; C450-G453 PolarHBondContact O-N 3.07Å; C450-A468 HydrophobicContact CB-CB 3.82Å; C450-I469 PolarHBondContact N-O 3.35Å; C450-E470 VanDerWaalsContact SG-CB 3.53Å
451	G	95.9	Very high	96	Very high	10 Å²	10	16.2 Å²	16.2	10%	0.103	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	-125.6	-174.6	0	0	0	0	0	111.2	F449 G453 E470	F449-G451 PolarHBondContact O-N 3.34Å; G451-G453 VanDerWaalsContact C-N 3.27Å; G451-G453 PolarHBondContact O-N 3.47Å; G451-E470 WeakPolarHBondContact CA-OE2 3.22Å; G451-E470 PolarHBondContact N-OE2 3.38Å
452	T	96	Very high	96.5	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.012	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	14.5	177.2	44	0	0	0	0	114.7	V410 S414 C450 M478 A479 N482	V410-T452 HydrophobicContact CG1-CG2 4.41Å; S414-T452 WeakPolarHBondContact OG-CG2 3.32Å; S414-T452 PolarHBondContact OG-OG1 3.08Å; C450-T452 PolarHBondContact O-N 3.02Å; T452-M478 HydrophobicContact CG2-CB 3.82Å; T452-M478 HydrophobicContact CG2-SD 3.9Å; T452-A479 VanDerWaalsContact C-CB 3.49Å; T452-A479 WeakPolarHBondContact O-CA 3.47Å; T452-N482 PolarHBondContact O-ND2 3.44Å
453	G	97.3	Very high	96.8	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.01	8%	0.079	C	C	.	.	S	Bend	trans	86.2	12.9	167.1	0	0	0	0	0	116.2	C450 G451 N455 A456 I457	C450-G453 PolarHBondContact O-N 3.07Å; G451-G453 VanDerWaalsContact C-N 3.27Å; G451-G453 PolarHBondContact O-N 3.47Å; G453-N455 VanDerWaalsContact C-N 3.34Å; G453-N455 PolarHBondContact O-N 2.89Å; G453-A456 PolarHBondContact O-N 2.9Å; G453-I457 WeakPolarHBondContact O-CB 3.45Å; G453-I457 WeakPolarHBondContact O-CD1 3.48Å; G453-I457 VanDerWaalsContact O-CG1 3.25Å; G453-I457 WeakPolarHBondContact O-CG1 3.39Å; G453-I457 PolarHBondContact O-N 3.49Å
454	S	96.5	Very high	96.9	Very high	7 Å²	7	12.1 Å²	12.1	5%	0.049	6%	0.063	C	C	.	.	H	α-helix	trans	-52.4	-45.6	-178.1	58.1	0	0	0	0	113.7	T419	T419-S454 PolarHBondContact N-OG 3.33Å
455	N	98	Very high	97	Very high	3 Å²	3	15.5 Å²	15.5	2%	0.016	7%	0.073	C	C	.	.	H	α-helix	trans	-77.9	-44.7	177.6	-53.2	-62.1	0	0	0	112	T419 A424 Q427 G453 I457 Q458 F459 L527	T419-N455 VanDerWaalsContact CB-OD1 3.24Å; T419-N455 WeakPolarHBondContact CB-OD1 3.34Å; T419-N455 WeakPolarHBondContact CG2-OD1 3.36Å; T419-N455 PolarHBondContact OG1-ND2 3.15Å; T419-N455 VanDerWaalsContact OG1-ND2 3.17Å; T419-N455 PolarHBondContact OG1-OD1 2.82Å; A424-N455 WeakPolarHBondContact CB-OD1 3.41Å; Q427-N455 PolarHBondContact OE1-OD1 3.25Å; G453-N455 VanDerWaalsContact C-N 3.34Å; G453-N455 PolarHBondContact O-N 2.89Å; N455-I457 VanDerWaalsContact C-N 3.26Å; N455-I457 PolarHBondContact O-N 3.42Å; N455-Q458 PolarHBondContact O-N 3.46Å; N455-F459 HydrophobicContact CB-CD2 4.43Å; N455-F459 HydrophobicContact CB-CE2 3.85Å; N455-F459 HydrophobicContact CB-CZ 4.43Å; N455-F459 VanDerWaalsContact O-CD2 3.26Å; N455-F459 WeakPolarHBondContact O-CD2 3.44Å; N455-F459 PolarHBondContact O-N 3.37Å; N455-L527 HydrophobicContact CB-CD2 3.35Å; N455-L527 WeakPolarHBondContact ND2-CD2 3.46Å
456	A	98.5	Very high	97	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-51.2	-44.2	177	0	0	0	0	0	112.9	D447 G453 Q458 F459 A460 V466 A468 I492	D447-A456 HydrophobicContact CB-CB 4.19Å; D447-A456 WeakPolarHBondContact OD2-CA 3.31Å; D447-A456 WeakPolarHBondContact OD2-CB 3.28Å; D447-A456 PolarHBondContact OD2-N 3.42Å; G453-A456 PolarHBondContact O-N 2.9Å; A456-Q458 VanDerWaalsContact C-N 3.35Å; A456-Q458 PolarHBondContact O-N 3.47Å; A456-F459 PolarHBondContact O-N 3.22Å; A456-A460 WeakPolarHBondContact O-CB 3.36Å; A456-A460 PolarHBondContact O-N 3.23Å; A456-V466 HydrophobicContact CB-CG1 3.95Å; A456-A468 HydrophobicContact CB-CB 4.1Å; A456-I492 HydrophobicContact CB-CD1 4.09Å; A456-I492 HydrophobicContact CB-CG2 4.43Å
457	I	98.3	Very high	97	Very high	2 Å²	2	15.8 Å²	15.8	1%	0.01	8%	0.075	C	C	.	.	H	α-helix	trans	-58.6	-46.9	175.7	-72.1	165.9	0	0	0	110.8	F401 G453 N455 A460 L461 N482 A483 Y486 V488	F401-I457 HydrophobicContact CE1-CD1 4.04Å; G453-I457 WeakPolarHBondContact O-CB 3.45Å; G453-I457 WeakPolarHBondContact O-CD1 3.48Å; G453-I457 VanDerWaalsContact O-CG1 3.25Å; G453-I457 WeakPolarHBondContact O-CG1 3.39Å; G453-I457 PolarHBondContact O-N 3.49Å; N455-I457 VanDerWaalsContact C-N 3.26Å; N455-I457 PolarHBondContact O-N 3.42Å; I457-A460 PolarHBondContact O-N 2.89Å; I457-L461 HydrophobicContact CG2-CD1 3.86Å; I457-L461 HydrophobicContact CG2-CG 4.36Å; I457-L461 WeakPolarHBondContact O-CB 3.27Å; I457-L461 VanDerWaalsContact O-CG 3.27Å; I457-L461 WeakPolarHBondContact O-CG 3.41Å; I457-L461 PolarHBondContact O-N 2.93Å; I457-N482 HydrophobicContact CD1-CB 3.82Å; I457-A483 HydrophobicContact CG1-CB 4.13Å; I457-Y486 HydrophobicContact CD1-CD2 4.04Å; I457-Y486 HydrophobicContact CD1-CE2 4.44Å; I457-Y486 HydrophobicContact CG2-CD1 3.67Å; I457-Y486 HydrophobicContact CG2-CD2 4.06Å; I457-Y486 HydrophobicContact CG2-CE1 4.27Å; I457-Y486 HydrophobicContact CG2-CG 3.53Å; I457-V488 HydrophobicContact CG1-CG2 4.46Å; I457-V488 HydrophobicContact CG2-CG2 4.24Å
458	Q	97.6	Very high	97	Very high	16 Å²	16	15.8 Å²	15.8	8%	0.075	8%	0.075	C	C	.	.	H	α-helix	trans	-68.7	-35.2	-178.4	-66.4	-62.1	-35.9	0	0	112.9	E421 A424 A425 A428 N455 A456 R462	E421-Q458 VanDerWaalsContact CG-NE2 3.34Å; A424-Q458 HydrophobicContact CB-CB 4.16Å; A424-Q458 HydrophobicContact CB-CG 3.67Å; A425-Q458 HydrophobicContact CB-CG 4.35Å; A425-Q458 VanDerWaalsContact CB-OE1 3.27Å; A428-Q458 HydrophobicContact CB-CB 3.98Å; A428-Q458 WeakPolarHBondContact CB-O 3.5Å; N455-Q458 PolarHBondContact O-N 3.46Å; A456-Q458 VanDerWaalsContact C-N 3.35Å; A456-Q458 PolarHBondContact O-N 3.47Å; Q458-R462 WeakPolarHBondContact O-CG 3.39Å; Q458-R462 PolarHBondContact O-N 3.36Å
459	F	97.9	Very high	97	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64.8	-45.2	170.8	-63	-48.8	0	0	0	111.6	A428 I431 V445 N455 A456 L461 R462 G463 F464 V466 L527	A428-F459 HydrophobicContact CB-CD1 3.57Å; A428-F459 HydrophobicContact CB-CE1 3.88Å; A428-F459 HydrophobicContact CB-CG 4.48Å; I431-F459 HydrophobicContact CD1-CD1 4.35Å; I431-F459 HydrophobicContact CD1-CE1 3.54Å; I431-F459 HydrophobicContact CD1-CZ 3.96Å; I431-F459 HydrophobicContact CG1-CE1 4.34Å; V445-F459 HydrophobicContact CG1-CD1 4.27Å; V445-F459 HydrophobicContact CG1-CD2 3.98Å; V445-F459 HydrophobicContact CG1-CE1 4.46Å; V445-F459 HydrophobicContact CG1-CE2 4.16Å; V445-F459 HydrophobicContact CG1-CG 4.07Å; V445-F459 HydrophobicContact CG1-CZ 4.42Å; N455-F459 HydrophobicContact CB-CD2 4.43Å; N455-F459 HydrophobicContact CB-CE2 3.85Å; N455-F459 HydrophobicContact CB-CZ 4.43Å; N455-F459 VanDerWaalsContact O-CD2 3.26Å; N455-F459 WeakPolarHBondContact O-CD2 3.44Å; N455-F459 PolarHBondContact O-N 3.37Å; A456-F459 PolarHBondContact O-N 3.22Å; F459-L461 PolarHBondContact O-N 3.35Å; F459-R462 CarbonylContact O-C 3.24Å; F459-R462 WeakPolarHBondContact O-CA 3.18Å; F459-R462 WeakPolarHBondContact O-CB 3.33Å; F459-R462 PolarHBondContact O-N 2.85Å; F459-G463 PolarHBondContact O-N 3.34Å; F459-F464 HydrophobicContact CB-CB 4.4Å; F459-F464 HydrophobicContact CB-CD2 4.31Å; F459-F464 WeakPolarHBondContact O-CD2 3.41Å; F459-F464 PolarHBondContact O-N 2.9Å; F459-V466 HydrophobicContact CB-CG2 3.64Å; F459-L527 HydrophobicContact CE2-CB 3.71Å; F459-L527 HydrophobicContact CE2-CD2 3.9Å; F459-L527 HydrophobicContact CE2-CG 4.38Å; F459-L527 HydrophobicContact CZ-CB 3.59Å; F459-L527 HydrophobicContact CZ-CD1 4.3Å; F459-L527 HydrophobicContact CZ-CD2 3.85Å; F459-L527 HydrophobicContact CZ-CG 4.12Å
460	A	97.9	Very high	97	Very high	2 Å²	2	15 Å²	15	2%	0.017	7%	0.072	C	C	.	.	H	α-helix	trans	-65.4	-37.8	179.7	0	0	0	0	0	112.4	A456 I457 R462 G463 V466 V488 L491 I492	A456-A460 WeakPolarHBondContact O-CB 3.36Å; A456-A460 PolarHBondContact O-N 3.23Å; I457-A460 PolarHBondContact O-N 2.89Å; A460-R462 PolarHBondContact O-N 3.49Å; A460-G463 WeakPolarHBondContact O-CA 3.36Å; A460-G463 PolarHBondContact O-N 2.98Å; A460-V466 HydrophobicContact CB-CG2 4.06Å; A460-V488 HydrophobicContact CB-CB 3.72Å; A460-V488 HydrophobicContact CB-CG1 4.34Å; A460-V488 HydrophobicContact CB-CG2 3.89Å; A460-L491 HydrophobicContact CB-CB 3.99Å; A460-L491 HydrophobicContact CB-CD1 4.3Å; A460-L491 VanDerWaalsContact O-CD1 3.26Å; A460-L491 WeakPolarHBondContact O-CD1 3.46Å; A460-I492 HydrophobicContact CB-CD1 3.87Å; A460-I492 HydrophobicContact CB-CG1 3.74Å
461	L	94.9	Very high	96.9	Very high	79 Å²	79	17.7 Å²	17.7	41%	0.414	9%	0.09	S	C	.	.	H	α-helix	trans	-60.2	-23.6	171.2	-74	169	0	0	0	112.8	I457 F459 G463 Y486 V488	I457-L461 HydrophobicContact CG2-CD1 3.86Å; I457-L461 HydrophobicContact CG2-CG 4.36Å; I457-L461 WeakPolarHBondContact O-CB 3.27Å; I457-L461 VanDerWaalsContact O-CG 3.27Å; I457-L461 WeakPolarHBondContact O-CG 3.41Å; I457-L461 PolarHBondContact O-N 2.93Å; F459-L461 PolarHBondContact O-N 3.35Å; L461-G463 VanDerWaalsContact C-N 3.31Å; L461-Y486 HydrophobicContact CD1-CD1 4.13Å; L461-V488 HydrophobicContact CD2-CG1 3.6Å; L461-V488 HydrophobicContact CG-CG1 3.95Å
462	R	93.8	Very high	96.8	Very high	70 Å²	70	19.2 Å²	19.2	26%	0.264	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	10.2	171.9	-63.8	-49.2	-172.3	118.6	-13.9	114.3	A428 Y432 Q458 F459 A460 F464	A428-R462 HydrophobicContact CB-CG 4.05Å; Y432-R462 HydrophobicContact CD2-CB 4Å; Q458-R462 WeakPolarHBondContact O-CG 3.39Å; Q458-R462 PolarHBondContact O-N 3.36Å; F459-R462 CarbonylContact O-C 3.24Å; F459-R462 WeakPolarHBondContact O-CA 3.18Å; F459-R462 WeakPolarHBondContact O-CB 3.33Å; F459-R462 PolarHBondContact O-N 2.85Å; A460-R462 PolarHBondContact O-N 3.49Å; R462-F464 VanDerWaalsContact C-N 3.32Å; R462-F464 HydrophobicContact CB-CD2 3.97Å; R462-F464 HydrophobicContact CB-CE2 4.05Å; R462-F464 PolarHBondContact O-N 2.92Å
463	G	93.7	Very high	96.8	Very high	6 Å²	6	23.1 Å²	23.1	6%	0.062	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	12.5	175.6	0	0	0	0	0	114.3	K440 G441 F459 A460 L461	K440-G463 CarbonylContact C-O 3.5Å; K440-G463 WeakPolarHBondContact CA-O 3.23Å; G441-G463 PolarHBondContact N-O 3.18Å; F459-G463 PolarHBondContact O-N 3.34Å; A460-G463 WeakPolarHBondContact O-CA 3.36Å; A460-G463 PolarHBondContact O-N 2.98Å; L461-G463 VanDerWaalsContact C-N 3.31Å
464	F	96.6	Very high	96.7	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.136	C	C	.	.			trans	-73.7	147.1	170.6	-68.1	-69.9	0	0	0	111	I431 Y432 F435 P437 V445 F459 R462 V466	I431-F464 HydrophobicContact CB-CZ 4.46Å; I431-F464 HydrophobicContact CG2-CE1 4.4Å; I431-F464 HydrophobicContact CG2-CE2 4.21Å; I431-F464 HydrophobicContact CG2-CZ 3.81Å; Y432-F464 HydrophobicContact CD2-CE2 4.34Å; Y432-F464 HydrophobicContact CD2-CZ 4.44Å; F435-F464 HydrophobicContact CB-CE1 4.32Å; F435-F464 VanDerWaalsContact O-CE1 3.24Å; F435-F464 WeakPolarHBondContact O-CE1 3.46Å; F435-F464 VanDerWaalsContact O-CZ 3.26Å; F435-F464 WeakPolarHBondContact O-CZ 3.33Å; P437-F464 HydrophobicContact CG-CD1 3.81Å; P437-F464 HydrophobicContact CG-CE1 3.73Å; P437-F464 HydrophobicContact CG-CG 4.4Å; P437-F464 HydrophobicContact CG-CZ 4.27Å; V445-F464 HydrophobicContact CB-CB 4.45Å; V445-F464 HydrophobicContact CG2-CB 4Å; V445-F464 HydrophobicContact CG2-CD1 3.55Å; V445-F464 HydrophobicContact CG2-CD2 4.16Å; V445-F464 HydrophobicContact CG2-CE1 3.98Å; V445-F464 HydrophobicContact CG2-CG 3.64Å; V445-F464 HydrophobicContact CG2-CZ 4.45Å; F459-F464 HydrophobicContact CB-CB 4.4Å; F459-F464 HydrophobicContact CB-CD2 4.31Å; F459-F464 WeakPolarHBondContact O-CD2 3.41Å; F459-F464 PolarHBondContact O-N 2.9Å; R462-F464 VanDerWaalsContact C-N 3.32Å; R462-F464 HydrophobicContact CB-CD2 3.97Å; R462-F464 HydrophobicContact CB-CE2 4.05Å; R462-F464 PolarHBondContact O-N 2.92Å; F464-V466 HydrophobicContact CB-CG2 4.35Å
465	R	97.5	Very high	96.6	Very high	93 Å²	93	27.8 Å²	27.8	35%	0.351	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	132.3	156.5	179.9	175.6	-178	-88.8	-6	106.7	Y443 T444 V445 L491 E493	Y443-R465 PolarHBondContact O-N 3.24Å; T444-R465 CarbonylContact C-O 3.56Å; T444-R465 VanDerWaalsContact CA-O 3.23Å; T444-R465 WeakPolarHBondContact CA-O 3.24Å; V445-R465 PolarHBondContact N-O 3.26Å; R465-L491 WeakPolarHBondContact CA-O 3.16Å; R465-E493 IonicContact CZ-OE2 3.93Å; R465-E493 IonicContact NH1-OE2 3.29Å; R465-E493 IonicContact NH2-OE2 3.65Å; R465-E493 PolarHBondContact NH2-OE2 3.48Å
466	V	98.4	Very high	96.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	136.6	-176.7	-172.6	0	0	0	0	109.6	V445 D447 A456 F459 A460 F464 L491 I492 E493	V445-V466 CarbonylContact O-C 3.53Å; V445-V466 VanDerWaalsContact O-CA 3.31Å; V445-V466 WeakPolarHBondContact O-CA 3.45Å; D447-V466 HydrophobicContact CB-CG1 4.19Å; A456-V466 HydrophobicContact CB-CG1 3.95Å; F459-V466 HydrophobicContact CB-CG2 3.64Å; A460-V466 HydrophobicContact CB-CG2 4.06Å; F464-V466 HydrophobicContact CB-CG2 4.35Å; V466-L491 PolarHBondContact N-O 3.46Å; V466-I492 HydrophobicContact CB-CB 4.41Å; V466-I492 HydrophobicContact CB-CG1 4.11Å; V466-I492 HydrophobicContact CB-CG2 4.15Å; V466-I492 HydrophobicContact CG1-CG2 4.32Å; V466-I492 HydrophobicContact CG2-CG1 4.4Å; V466-I492 CarbonylContact O-C 3.56Å; V466-I492 WeakPolarHBondContact O-CA 3.45Å; V466-E493 PolarHBondContact O-N 3.4Å
467	I	98.3	Very high	96.5	Very high	6 Å²	6	32 Å²	32	3%	0.031	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	109.7	163.3	-56.5	179.7	0	0	0	106.8	T444 V445 L446 D447 I469 E493 V495 W502 Y523	T444-I467 HydrophobicContact CG2-CD1 3.89Å; T444-I467 HydrophobicContact CG2-CG1 3.84Å; V445-I467 PolarHBondContact O-N 2.83Å; L446-I467 WeakPolarHBondContact CA-O 3.19Å; L446-I467 HydrophobicContact CD2-CB 3.76Å; L446-I467 HydrophobicContact CD2-CD1 4.07Å; L446-I467 HydrophobicContact CD2-CG1 4.28Å; L446-I467 HydrophobicContact CD2-CG2 4.38Å; D447-I467 PolarHBondContact N-O 3.35Å; I467-I469 HydrophobicContact CG2-CG1 4.1Å; I467-E493 CarbonylContact C-O 3.42Å; I467-E493 WeakPolarHBondContact CA-O 3.45Å; I467-E493 HydrophobicContact CG1-CB 4.34Å; I467-V495 HydrophobicContact CG2-CG2 3.71Å; I467-W502 HydrophobicContact CD1-CZ2 4.42Å; I467-W502 HydrophobicContact CG2-CZ2 4Å; I467-Y523 HydrophobicContact CD1-CD1 4.26Å; I467-Y523 HydrophobicContact CD1-CE1 3.55Å
468	A	98.6	Very high	96.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	116.6	-177.6	0	0	0	0	0	109.4	D447 C450 A456 I492 E493 F494 V495	D447-A468 HydrophobicContact CB-CB 4.49Å; C450-A468 HydrophobicContact CB-CB 3.82Å; A456-A468 HydrophobicContact CB-CB 4.1Å; A468-I492 HydrophobicContact CB-CG2 3.78Å; A468-E493 PolarHBondContact N-O 2.89Å; A468-F494 HydrophobicContact CB-CD1 4.11Å; A468-F494 HydrophobicContact CB-CE1 4.28Å; A468-V495 PolarHBondContact O-N 2.86Å
469	I	98.1	Very high	96.4	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	123.3	-172.3	-53.8	159.2	0	0	0	109	D447 F449 C450 I467 V495 Y499 W502	D447-I469 PolarHBondContact O-N 2.88Å; F449-I469 WeakPolarHBondContact CA-O 3.49Å; F449-I469 PolarHBondContact N-O 2.86Å; C450-I469 PolarHBondContact N-O 3.35Å; I467-I469 HydrophobicContact CG2-CG1 4.1Å; I469-V495 HydrophobicContact CG1-CB 4.17Å; I469-Y499 HydrophobicContact CD1-CD2 4.09Å; I469-Y499 HydrophobicContact CD1-CE2 4.45Å; I469-W502 HydrophobicContact CD1-CD2 3.71Å; I469-W502 HydrophobicContact CD1-CE3 3.38Å; I469-W502 HydrophobicContact CD1-CH2 3.78Å; I469-W502 HydrophobicContact CD1-CZ2 4.07Å; I469-W502 HydrophobicContact CD1-CZ3 3.42Å; I469-W502 VanDerWaalsContact CD1-CZ3 3.42Å; I469-W502 HydrophobicContact CG1-CD2 4.38Å; I469-W502 HydrophobicContact CG1-CE3 4.48Å
470	E	96.7	Very high	96.5	Very high	13 Å²	13	32.7 Å²	32.7	6%	0.061	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	140.5	174.7	173.6	58.7	-100.6	0	0	109.2	C450 G451 D472 R475 I476 V495 C496 E497	C450-E470 VanDerWaalsContact SG-CB 3.53Å; G451-E470 WeakPolarHBondContact CA-OE2 3.22Å; G451-E470 PolarHBondContact N-OE2 3.38Å; E470-D472 HydrophobicContact CG-CB 4.26Å; E470-D472 PolarHBondContact OE1-N 3.12Å; E470-R475 HydrophobicContact CG-CB 3.76Å; E470-I476 HydrophobicContact CB-CD1 3.7Å; E470-I476 HydrophobicContact CB-CG1 3.9Å; E470-I476 HydrophobicContact CG-CG1 4.37Å; E470-V495 PolarHBondContact N-O 2.86Å; E470-V495 VanDerWaalsContact N-O 3.12Å; E470-C496 VanDerWaalsContact O-CA 3.27Å; E470-C496 WeakPolarHBondContact O-CA 3.37Å; E470-E497 PolarHBondContact O-N 2.59Å
471	S	94.6	Very high	96.5	Very high	60 Å²	60	34.9 Å²	34.9	42%	0.42	19%	0.188	S	C	.	.	S	Bend	trans	-79.5	-27.7	-177.9	59.1	0	0	0	0	112.7	P473	S471-P473 WeakPolarHBondContact O-CD 3.11Å
472	D	93.6	Very high	96.6	Very high	43 Å²	43	31.1 Å²	31.1	23%	0.23	17%	0.168	C	C	.	.			trans	-84	116	179.5	-176.1	-12.2	0	0	0	111.5	E470 I474 R475 I476	E470-D472 HydrophobicContact CG-CB 4.26Å; E470-D472 PolarHBondContact OE1-N 3.12Å; D472-I474 PolarHBondContact O-N 3.42Å; D472-I474 WeakPolarHBondContact OD1-CB 3.03Å; D472-I474 PolarHBondContact OD1-N 3.04Å; D472-R475 HydrophobicContact CB-CB 4.12Å; D472-R475 HydrophobicContact CB-CG 4.13Å; D472-R475 PolarHBondContact O-N 3.05Å; D472-R475 IonicContact OD2-NE 2.94Å; D472-I476 PolarHBondContact O-N 3.42Å; D472-I476 VanDerWaalsContact O-N 3.08Å
473	P	95.6	Very high	96.8	Very high	83 Å²	83	27.8 Å²	27.8	54%	0.539	16%	0.156	S	C	.	.	H	α-helix	trans	-62.8	-29.3	178.8	26.1	-34.9	0	0	0	113.5	S471 S477	S471-P473 WeakPolarHBondContact O-CD 3.11Å; P473-S477 PolarHBondContact O-N 3.02Å
474	I	94.9	Very high	97	Very high	63 Å²	63	33.5 Å²	33.5	32%	0.323	18%	0.181	S	C	.	.	H	α-helix	trans	-67.7	-46.6	178.5	-60.8	177	0	0	0	109.2	D472 I476 S477 M478	D472-I474 PolarHBondContact O-N 3.42Å; D472-I474 WeakPolarHBondContact OD1-CB 3.03Å; D472-I474 PolarHBondContact OD1-N 3.04Å; I474-I476 PolarHBondContact O-N 3.17Å; I474-S477 WeakPolarHBondContact O-CB 3.39Å; I474-S477 PolarHBondContact O-N 3.21Å; I474-S477 VanDerWaalsContact O-N 3.15Å; I474-M478 HydrophobicContact CG2-CE 3.72Å; I474-M478 HydrophobicContact CG2-SD 4.4Å; I474-M478 WeakPolarHBondContact O-CG 3.39Å; I474-M478 PolarHBondContact O-N 3.31Å
475	R	94.6	Very high	96.9	Very high	44 Å²	44	35.1 Å²	35.1	17%	0.166	19%	0.189	C	C	.	.	H	α-helix	trans	-64.4	-38.3	177.2	-71.3	-177	-178.5	159.5	10.4	112.5	D411 D413 E470 D472 S477 M478 A479	D411-R475 IonicContact OD2-CZ 3.59Å; D411-R475 IonicContact OD2-NE 2.65Å; D411-R475 PolarHBondContact OD2-NE 3.26Å; D411-R475 IonicContact OD2-NH2 3.76Å; D411-R475 PolarHBondContact OD2-NH2 2.98Å; D413-R475 IonicContact OD2-NH2 2.68Å; D413-R475 PolarHBondContact OD2-NH2 3.05Å; E470-R475 HydrophobicContact CG-CB 3.76Å; D472-R475 HydrophobicContact CB-CB 4.12Å; D472-R475 HydrophobicContact CB-CG 4.13Å; D472-R475 PolarHBondContact O-N 3.05Å; D472-R475 IonicContact OD2-NE 2.94Å; R475-S477 VanDerWaalsContact C-N 3.33Å; R475-S477 PolarHBondContact O-N 3.48Å; R475-M478 PolarHBondContact O-N 2.95Å; R475-A479 VanDerWaalsContact O-CB 3.29Å; R475-A479 WeakPolarHBondContact O-CB 3.34Å; R475-A479 PolarHBondContact O-N 3.34Å
476	I	97.4	Very high	96.8	Very high	21 Å²	21	31.5 Å²	31.5	11%	0.108	18%	0.175	C	C	.	.	H	α-helix	trans	-58	-44.8	171.4	-73.9	-70	0	0	0	111.4	E470 D472 I474 A479 S480 F494 C496	E470-I476 HydrophobicContact CB-CD1 3.7Å; E470-I476 HydrophobicContact CB-CG1 3.9Å; E470-I476 HydrophobicContact CG-CG1 4.37Å; D472-I476 PolarHBondContact O-N 3.42Å; D472-I476 VanDerWaalsContact O-N 3.08Å; I474-I476 PolarHBondContact O-N 3.17Å; I476-A479 PolarHBondContact O-N 2.83Å; I476-S480 WeakPolarHBondContact O-CB 2.99Å; I476-S480 PolarHBondContact O-N 2.04Å; I476-F494 HydrophobicContact CD1-CB 4.2Å; I476-F494 HydrophobicContact CD1-CD1 4.29Å; I476-F494 HydrophobicContact CG2-CB 3.98Å; I476-C496 HydrophobicContact CG1-CB 4.09Å
477	S	97	Very high	96.8	Very high	69 Å²	69	33.8 Å²	33.8	48%	0.483	20%	0.199	S	C	.	.	H	α-helix	trans	-61.7	-45.5	176.4	-170.8	0	0	0	0	111.8	P473 I474 R475 S480 N481	P473-S477 PolarHBondContact O-N 3.02Å; I474-S477 WeakPolarHBondContact O-CB 3.39Å; I474-S477 PolarHBondContact O-N 3.21Å; I474-S477 VanDerWaalsContact O-N 3.15Å; R475-S477 VanDerWaalsContact C-N 3.33Å; R475-S477 PolarHBondContact O-N 3.48Å; S477-S480 PolarHBondContact O-N 2.54Å; S477-N481 PolarHBondContact O-N 3.33Å
478	M	97.3	Very high	96.7	Very high	1 Å²	1	34 Å²	34	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-62.6	-44.4	176.6	-66.8	179.6	175.5	0	0	111.8	L381 Q409 D411 T452 I474 R475 S480 N481 N482	L381-M478 HydrophobicContact CD2-CE 3.89Å; Q409-M478 HydrophobicContact CB-CB 4.06Å; Q409-M478 HydrophobicContact CB-CG 3.83Å; D411-M478 HydrophobicContact CB-CE 4.14Å; D411-M478 HydrophobicContact CB-SD 4.31Å; T452-M478 HydrophobicContact CG2-CB 3.82Å; T452-M478 HydrophobicContact CG2-SD 3.9Å; I474-M478 HydrophobicContact CG2-CE 3.72Å; I474-M478 HydrophobicContact CG2-SD 4.4Å; I474-M478 WeakPolarHBondContact O-CG 3.39Å; I474-M478 PolarHBondContact O-N 3.31Å; R475-M478 PolarHBondContact O-N 2.95Å; M478-S480 VanDerWaalsContact C-N 3.32Å; M478-S480 PolarHBondContact O-N 3.27Å; M478-N481 WeakPolarHBondContact O-CB 3.29Å; M478-N481 PolarHBondContact O-N 3.39Å; M478-N482 WeakPolarHBondContact O-CB 3.33Å; M478-N482 PolarHBondContact O-N 3.5Å; M478-N482 PolarHBondContact O-ND2 3.07Å; M478-N482 PolarHBondContact O-OD1 3.47Å
479	A	98	Very high	96.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.6	-39.7	177.8	0	0	0	0	0	112.1	T452 R475 I476 N482 A483 F494	T452-A479 VanDerWaalsContact C-CB 3.49Å; T452-A479 WeakPolarHBondContact O-CA 3.47Å; R475-A479 VanDerWaalsContact O-CB 3.29Å; R475-A479 WeakPolarHBondContact O-CB 3.34Å; R475-A479 PolarHBondContact O-N 3.34Å; I476-A479 PolarHBondContact O-N 2.83Å; A479-N482 PolarHBondContact O-N 3.15Å; A479-A483 WeakPolarHBondContact O-CB 3.39Å; A479-A483 PolarHBondContact O-N 3.47Å; A479-F494 HydrophobicContact CB-CD1 4.11Å; A479-F494 HydrophobicContact CB-CE1 3.56Å
480	S	98.2	Very high	96.7	Very high	33 Å²	33	44.6 Å²	44.6	23%	0.231	25%	0.246	C	C	.	.	H	α-helix	trans	-61.6	-47.6	172.8	178.1	0	0	0	0	111.6	I476 S477 M478 A483 E484 R489	I476-S480 WeakPolarHBondContact O-CB 2.99Å; I476-S480 PolarHBondContact O-N 2.04Å; S477-S480 PolarHBondContact O-N 2.54Å; M478-S480 VanDerWaalsContact C-N 3.32Å; M478-S480 PolarHBondContact O-N 3.27Å; S480-A483 PolarHBondContact O-N 2.8Å; S480-E484 PolarHBondContact O-N 3.45Å; S480-E484 VanDerWaalsContact O-N 3.14Å; S480-R489 PolarHBondContact OG-NE 2.93Å
481	N	97.8	Very high	96.7	Very high	48 Å²	48	45.1 Å²	45.1	26%	0.257	25%	0.25	S	C	.	.	H	α-helix	trans	-59.9	-47.7	175.6	173.3	87.6	0	0	0	111.8	G407 Q409 S477 M478 A483 E484 I485	G407-N481 PolarHBondContact O-ND2 2.94Å; Q409-N481 WeakPolarHBondContact CG-ND2 3.24Å; Q409-N481 PolarHBondContact NE2-OD1 3.47Å; S477-N481 PolarHBondContact O-N 3.33Å; M478-N481 WeakPolarHBondContact O-CB 3.29Å; M478-N481 PolarHBondContact O-N 3.39Å; N481-A483 VanDerWaalsContact C-N 3.3Å; N481-A483 PolarHBondContact O-N 2.85Å; N481-E484 VanDerWaalsContact O-CB 3.31Å; N481-E484 WeakPolarHBondContact O-CB 3.46Å; N481-E484 PolarHBondContact O-N 2.8Å; N481-E484 VanDerWaalsContact O-N 3.09Å; N481-I485 WeakPolarHBondContact ND2-CD1 3.4Å; N481-I485 PolarHBondContact O-N 3.31Å; N481-I485 VanDerWaalsContact O-N 3.16Å
482	N	97.1	Very high	96.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.2	-39.2	-178.6	-63.4	-14.4	0	0	0	111.1	I408 Q409 T452 I457 M478 A479 E484 I485 Y486	I408-N482 WeakPolarHBondContact CA-OD1 3.31Å; I408-N482 HydrophobicContact CD1-CB 3.78Å; Q409-N482 PolarHBondContact N-OD1 3.44Å; Q409-N482 PolarHBondContact O-ND2 2.86Å; Q409-N482 PolarHBondContact O-OD1 2.94Å; T452-N482 PolarHBondContact O-ND2 3.44Å; I457-N482 HydrophobicContact CD1-CB 3.82Å; M478-N482 WeakPolarHBondContact O-CB 3.33Å; M478-N482 PolarHBondContact O-N 3.5Å; M478-N482 PolarHBondContact O-ND2 3.07Å; M478-N482 PolarHBondContact O-OD1 3.47Å; A479-N482 PolarHBondContact O-N 3.15Å; N482-E484 VanDerWaalsContact C-N 3.29Å; N482-E484 PolarHBondContact O-N 2.87Å; N482-I485 PolarHBondContact O-N 3.11Å; N482-Y486 WeakPolarHBondContact O-CD2 3.34Å; N482-Y486 PolarHBondContact O-N 3.37Å
483	A	98.4	Very high	97.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.8	-30.1	175.2	0	0	0	0	0	113.7	I457 A479 S480 N481 G487 V488 R489 I492 F494	I457-A483 HydrophobicContact CG1-CB 4.13Å; A479-A483 WeakPolarHBondContact O-CB 3.39Å; A479-A483 PolarHBondContact O-N 3.47Å; S480-A483 PolarHBondContact O-N 2.8Å; N481-A483 VanDerWaalsContact C-N 3.3Å; N481-A483 PolarHBondContact O-N 2.85Å; A483-G487 PolarHBondContact O-N 3.18Å; A483-V488 HydrophobicContact CB-CG2 4.48Å; A483-V488 PolarHBondContact O-N 3.26Å; A483-R489 HydrophobicContact CB-CB 4.21Å; A483-R489 PolarHBondContact O-N 2.8Å; A483-R489 VanDerWaalsContact O-N 3.15Å; A483-I492 HydrophobicContact CB-CD1 3.74Å; A483-F494 HydrophobicContact CB-CZ 3.97Å
484	E	98.1	Very high	97.2	Very high	126 Å²	126	42.2 Å²	42.2	59%	0.589	22%	0.22	S	C	*	.	H	α-helix	trans	-66.4	-44.2	173.9	-166.8	65.3	-157.2	0	0	110.8	S480 N481 N482 Y486 G487 R489	S480-E484 PolarHBondContact O-N 3.45Å; S480-E484 VanDerWaalsContact O-N 3.14Å; N481-E484 VanDerWaalsContact O-CB 3.31Å; N481-E484 WeakPolarHBondContact O-CB 3.46Å; N481-E484 PolarHBondContact O-N 2.8Å; N481-E484 VanDerWaalsContact O-N 3.09Å; N482-E484 VanDerWaalsContact C-N 3.29Å; N482-E484 PolarHBondContact O-N 2.87Å; E484-Y486 PolarHBondContact O-N 3.22Å; E484-G487 WeakPolarHBondContact O-CA 3.4Å; E484-G487 PolarHBondContact O-N 2.96Å; E484-R489 HydrophobicContact CB-CB 4.39Å; E484-R489 WeakPolarHBondContact OE2-CB 3.47Å; E484-R489 VanDerWaalsContact OE2-CG 3.24Å; E484-R489 WeakPolarHBondContact OE2-CG 3.49Å
485	I	94.3	Very high	97.4	Very high	34 Å²	34	40 Å²	40	17%	0.174	21%	0.21	C	C	.	.	H	α-helix	trans	-61	-33.2	177.8	-68.5	164.6	0	0	0	112.5	R403 S406 G407 I408 N481 N482 G487	R403-I485 HydrophobicContact CB-CG2 4.1Å; R403-I485 PolarHBondContact NH1-O 3.36Å; S406-I485 WeakPolarHBondContact O-CD1 3.44Å; G407-I485 WeakPolarHBondContact O-CD1 3.35Å; I408-I485 HydrophobicContact CD1-CB 4.24Å; I408-I485 HydrophobicContact CD1-CD1 3.89Å; I408-I485 HydrophobicContact CD1-CG2 4.09Å; I408-I485 HydrophobicContact CG1-CD1 4.28Å; N481-I485 WeakPolarHBondContact ND2-CD1 3.4Å; N481-I485 PolarHBondContact O-N 3.31Å; N481-I485 VanDerWaalsContact O-N 3.16Å; N482-I485 PolarHBondContact O-N 3.11Å; I485-G487 VanDerWaalsContact C-N 3.32Å
486	Y	95.9	Very high	97.5	Very high	16 Å²	16	41.3 Å²	41.3	6%	0.063	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	0	174.3	-78.2	-101.6	0	0	0	113.3	F401 S402 R403 I408 E421 I457 L461 N482 E484 V488	F401-Y486 WeakPolarHBondContact CA-OH 3.39Å; F401-Y486 WeakPolarHBondContact CB-OH 3.49Å; F401-Y486 AromaticContact CD1-CE2 3.96Å; F401-Y486 HydrophobicContact CD1-CE2 3.96Å; S402-Y486 PolarHBondContact N-OH 3.18Å; S402-Y486 VanDerWaalsContact N-OH 3.15Å; S402-Y486 PolarHBondContact OG-OH 3.16Å; R403-Y486 HydrophobicContact CB-CE2 3.98Å; R403-Y486 HydrophobicContact CG-CE1 4.19Å; R403-Y486 HydrophobicContact CG-CE2 4.43Å; R403-Y486 PolarHBondContact N-OH 2.97Å; I408-Y486 HydrophobicContact CD1-CD2 4.21Å; I408-Y486 HydrophobicContact CD1-CE2 3.72Å; E421-Y486 PolarHBondContact OE2-OH 2.93Å; I457-Y486 HydrophobicContact CD1-CD2 4.04Å; I457-Y486 HydrophobicContact CD1-CE2 4.44Å; I457-Y486 HydrophobicContact CG2-CD1 3.67Å; I457-Y486 HydrophobicContact CG2-CD2 4.06Å; I457-Y486 HydrophobicContact CG2-CE1 4.27Å; I457-Y486 HydrophobicContact CG2-CG 3.53Å; L461-Y486 HydrophobicContact CD1-CD1 4.13Å; N482-Y486 WeakPolarHBondContact O-CD2 3.34Å; N482-Y486 PolarHBondContact O-N 3.37Å; E484-Y486 PolarHBondContact O-N 3.22Å; Y486-V488 VanDerWaalsContact C-N 3.31Å; Y486-V488 PolarHBondContact O-N 2.95Å
487	G	97.3	Very high	97.4	Very high	48 Å²	48	42.6 Å²	42.6	50%	0.495	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	73	16.2	176.5	0	0	0	0	0	115	A483 E484 I485 H490	A483-G487 PolarHBondContact O-N 3.18Å; E484-G487 WeakPolarHBondContact O-CA 3.4Å; E484-G487 PolarHBondContact O-N 2.96Å; I485-G487 VanDerWaalsContact C-N 3.32Å; G487-H490 PolarHBondContact O-CE1 2.93Å; G487-H490 VanDerWaalsContact O-CE1 3.24Å; G487-H490 PolarHBondContact O-ND1 2.8Å
488	V	97.7	Very high	97.3	Very high	11 Å²	11	41 Å²	41	7%	0.067	22%	0.217	C	C	.	.			trans	-118.8	4.5	-171.6	-66.4	0	0	0	0	114.3	I457 A460 L461 A483 Y486 H490 L491 I492	I457-V488 HydrophobicContact CG1-CG2 4.46Å; I457-V488 HydrophobicContact CG2-CG2 4.24Å; A460-V488 HydrophobicContact CB-CB 3.72Å; A460-V488 HydrophobicContact CB-CG1 4.34Å; A460-V488 HydrophobicContact CB-CG2 3.89Å; L461-V488 HydrophobicContact CD2-CG1 3.6Å; L461-V488 HydrophobicContact CG-CG1 3.95Å; A483-V488 HydrophobicContact CB-CG2 4.48Å; A483-V488 PolarHBondContact O-N 3.26Å; Y486-V488 VanDerWaalsContact C-N 3.31Å; Y486-V488 PolarHBondContact O-N 2.95Å; V488-H490 PolarHBondContact O-N 3.37Å; V488-L491 WeakPolarHBondContact O-CB 3.25Å; V488-L491 PolarHBondContact O-N 3.46Å; V488-I492 HydrophobicContact CG2-CD1 4.35Å
489	R	98.2	Very high	97.2	Very high	77 Å²	77	41.2 Å²	41.2	29%	0.291	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-48.9	-38.2	-179.3	177	59.2	-172.7	79	-2.7	114.4	S480 A483 E484 L491 I492 F494	S480-R489 PolarHBondContact OG-NE 2.93Å; A483-R489 HydrophobicContact CB-CB 4.21Å; A483-R489 PolarHBondContact O-N 2.8Å; A483-R489 VanDerWaalsContact O-N 3.15Å; E484-R489 HydrophobicContact CB-CB 4.39Å; E484-R489 WeakPolarHBondContact OE2-CB 3.47Å; E484-R489 VanDerWaalsContact OE2-CG 3.24Å; E484-R489 WeakPolarHBondContact OE2-CG 3.49Å; R489-L491 PolarHBondContact O-N 3.09Å; R489-I492 PolarHBondContact NH1-O 3.12Å; R489-I492 PolarHBondContact O-N 3.38Å; R489-I492 VanDerWaalsContact O-N 3.14Å; R489-F494 VanDerWaalsContact CD-CE2 3.42Å; R489-F494 VanDerWaalsContact NE-CE2 3.26Å
490	H	97.6	Very high	97.1	Very high	146 Å²	146	41.7 Å²	41.7	68%	0.676	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-67.1	-16.5	-178.4	63.5	-82.5	0	0	0	114.1	G487 V488	G487-H490 PolarHBondContact O-CE1 2.93Å; G487-H490 VanDerWaalsContact O-CE1 3.24Å; G487-H490 PolarHBondContact O-ND1 2.8Å; V488-H490 PolarHBondContact O-N 3.37Å
491	L	97.3	Very high	96.9	Very high	25 Å²	25	43 Å²	43	13%	0.131	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-92.9	-5.7	175.9	-64.4	174.1	0	0	0	113	A460 R465 V466 V488 R489	A460-L491 HydrophobicContact CB-CB 3.99Å; A460-L491 HydrophobicContact CB-CD1 4.3Å; A460-L491 VanDerWaalsContact O-CD1 3.26Å; A460-L491 WeakPolarHBondContact O-CD1 3.46Å; R465-L491 WeakPolarHBondContact CA-O 3.16Å; V466-L491 PolarHBondContact N-O 3.46Å; V488-L491 WeakPolarHBondContact O-CB 3.25Å; V488-L491 PolarHBondContact O-N 3.46Å; R489-L491 PolarHBondContact O-N 3.09Å
492	I	98.4	Very high	96.8	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.026	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	119.7	-172.4	-48.2	179	0	0	0	110.1	A456 A460 V466 A468 A483 V488 R489 F494	A456-I492 HydrophobicContact CB-CD1 4.09Å; A456-I492 HydrophobicContact CB-CG2 4.43Å; A460-I492 HydrophobicContact CB-CD1 3.87Å; A460-I492 HydrophobicContact CB-CG1 3.74Å; V466-I492 HydrophobicContact CB-CB 4.41Å; V466-I492 HydrophobicContact CB-CG1 4.11Å; V466-I492 HydrophobicContact CB-CG2 4.15Å; V466-I492 HydrophobicContact CG1-CG2 4.32Å; V466-I492 HydrophobicContact CG2-CG1 4.4Å; V466-I492 CarbonylContact O-C 3.56Å; V466-I492 WeakPolarHBondContact O-CA 3.45Å; A468-I492 HydrophobicContact CB-CG2 3.78Å; A483-I492 HydrophobicContact CB-CD1 3.74Å; V488-I492 HydrophobicContact CG2-CD1 4.35Å; R489-I492 PolarHBondContact NH1-O 3.12Å; R489-I492 PolarHBondContact O-N 3.38Å; R489-I492 VanDerWaalsContact O-N 3.14Å; I492-F494 HydrophobicContact CB-CD2 4.39Å; I492-F494 HydrophobicContact CB-CE2 3.61Å; I492-F494 HydrophobicContact CB-CZ 3.83Å; I492-F494 HydrophobicContact CD1-CZ 4.26Å; I492-F494 HydrophobicContact CG2-CD1 4.33Å; I492-F494 HydrophobicContact CG2-CD2 4Å; I492-F494 HydrophobicContact CG2-CE1 3.85Å; I492-F494 HydrophobicContact CG2-CE2 3.47Å; I492-F494 VanDerWaalsContact CG2-CE2 3.47Å; I492-F494 HydrophobicContact CG2-CG 4.41Å; I492-F494 HydrophobicContact CG2-CZ 3.42Å; I492-F494 VanDerWaalsContact CG2-CZ 3.42Å
493	E	98.2	Very high	96.6	Very high	86 Å²	86	41.2 Å²	41.2	40%	0.402	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	121.9	165.6	-177.3	-177.5	167.1	0	0	108.7	R465 V466 I467 A468 V495	R465-E493 IonicContact CZ-OE2 3.93Å; R465-E493 IonicContact NH1-OE2 3.29Å; R465-E493 IonicContact NH2-OE2 3.65Å; R465-E493 PolarHBondContact NH2-OE2 3.48Å; V466-E493 PolarHBondContact O-N 3.4Å; I467-E493 CarbonylContact C-O 3.42Å; I467-E493 WeakPolarHBondContact CA-O 3.45Å; I467-E493 HydrophobicContact CG1-CB 4.34Å; A468-E493 PolarHBondContact N-O 2.89Å; E493-V495 HydrophobicContact CG-CG2 4.44Å
494	F	98.6	Very high	96.3	Very high	33 Å²	33	47.6 Å²	47.6	15%	0.145	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	125.6	179.2	-66.2	-91.7	0	0	0	109.9	A468 I476 A479 A483 R489 I492	A468-F494 HydrophobicContact CB-CD1 4.11Å; A468-F494 HydrophobicContact CB-CE1 4.28Å; I476-F494 HydrophobicContact CD1-CB 4.2Å; I476-F494 HydrophobicContact CD1-CD1 4.29Å; I476-F494 HydrophobicContact CG2-CB 3.98Å; A479-F494 HydrophobicContact CB-CD1 4.11Å; A479-F494 HydrophobicContact CB-CE1 3.56Å; A483-F494 HydrophobicContact CB-CZ 3.97Å; R489-F494 VanDerWaalsContact CD-CE2 3.42Å; R489-F494 VanDerWaalsContact NE-CE2 3.26Å; I492-F494 HydrophobicContact CB-CD2 4.39Å; I492-F494 HydrophobicContact CB-CE2 3.61Å; I492-F494 HydrophobicContact CB-CZ 3.83Å; I492-F494 HydrophobicContact CD1-CZ 4.26Å; I492-F494 HydrophobicContact CG2-CD1 4.33Å; I492-F494 HydrophobicContact CG2-CD2 4Å; I492-F494 HydrophobicContact CG2-CE1 3.85Å; I492-F494 HydrophobicContact CG2-CE2 3.47Å; I492-F494 VanDerWaalsContact CG2-CE2 3.47Å; I492-F494 HydrophobicContact CG2-CG 4.41Å; I492-F494 HydrophobicContact CG2-CZ 3.42Å; I492-F494 VanDerWaalsContact CG2-CZ 3.42Å
495	V	98	Very high	96	Very high	17 Å²	17	46.7 Å²	46.7	10%	0.103	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	111.5	-178.6	178.1	0	0	0	0	108.9	I467 A468 I469 E470 E493 E497 W502	I467-V495 HydrophobicContact CG2-CG2 3.71Å; A468-V495 PolarHBondContact O-N 2.86Å; I469-V495 HydrophobicContact CG1-CB 4.17Å; E470-V495 PolarHBondContact N-O 2.86Å; E470-V495 VanDerWaalsContact N-O 3.12Å; E493-V495 HydrophobicContact CG-CG2 4.44Å; V495-E497 HydrophobicContact CG1-CB 3.93Å; V495-E497 PolarHBondContact O-N 3.02Å; V495-W502 VanDerWaalsContact CG1-CD1 3.5Å; V495-W502 HydrophobicContact CG1-CG 4.23Å
496	C	97.5	Very high	96	Very high	71 Å²	71	46.8 Å²	46.8	48%	0.48	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	81.9	174.6	-171.5	0	0	0	0	110.2	E470 I476	E470-C496 VanDerWaalsContact O-CA 3.27Å; E470-C496 WeakPolarHBondContact O-CA 3.37Å; I476-C496 HydrophobicContact CG1-CB 4.09Å
497	E	95.5	Very high	95.6	Very high	48 Å²	48	46.4 Å²	46.4	22%	0.224	23%	0.233	C	C	.	.	S	Bend	trans	-153.9	155.5	-178.7	-164.8	171.8	-178.6	0	0	111	E470 V495 Y499 T501 W502 K505	E470-E497 PolarHBondContact O-N 2.59Å; V495-E497 HydrophobicContact CG1-CB 3.93Å; V495-E497 PolarHBondContact O-N 3.02Å; E497-Y499 PolarHBondContact O-N 2.74Å; E497-T501 WeakPolarHBondContact OE1-CG2 3.27Å; E497-W502 HydrophobicContact CB-CB 4.37Å; E497-W502 HydrophobicContact CG-CB 4.3Å; E497-K505 WeakPolarHBondContact OE1-CE 3.47Å; E497-K505 IonicContact OE1-NZ 3.08Å; E497-K505 PolarHBondContact OE1-NZ 2.81Å; E497-K505 IonicContact OE2-NZ 2.84Å
498	D	94.1	Very high	95.2	Very high	37 Å²	37	49.7 Å²	49.7	20%	0.198	24%	0.235	C	C	.	.			trans	-59.1	129.2	164.1	167.3	67.3	0	0	0	110.5	F500 T501 W502	D498-F500 VanDerWaalsContact C-N 3.31Å; D498-F500 PolarHBondContact O-N 2.87Å; D498-F500 WeakPolarHBondContact OD2-CB 3.41Å; D498-F500 PolarHBondContact OD2-N 3.19Å; D498-T501 PolarHBondContact O-N 2.77Å; D498-T501 PolarHBondContact OD2-N 3.21Å; D498-T501 PolarHBondContact OD2-OG1 2.92Å; D498-W502 PolarHBondContact O-N 3.27Å
499	Y	95.7	Very high	94.6	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.016	25%	0.248	C	C	.	.	H	α-helix	trans	-57.8	-41.1	-175.4	168.7	-113.9	0	0	0	112.7	I448 F449 I469 E497 W502 A503 A560 L563 A564	I448-Y499 HydrophobicContact CB-CD2 4.46Å; I448-Y499 HydrophobicContact CB-CE2 4.37Å; I448-Y499 HydrophobicContact CD1-CE2 3.64Å; I448-Y499 HydrophobicContact CG1-CD2 4.29Å; I448-Y499 HydrophobicContact CG1-CE2 3.83Å; I448-Y499 HydrophobicContact CG2-CD1 3.87Å; I448-Y499 HydrophobicContact CG2-CD2 3.43Å; I448-Y499 VanDerWaalsContact CG2-CD2 3.43Å; I448-Y499 HydrophobicContact CG2-CE1 4.01Å; I448-Y499 HydrophobicContact CG2-CE2 3.59Å; I448-Y499 HydrophobicContact CG2-CG 3.57Å; F449-Y499 HydrophobicContact CE2-CD1 4.43Å; F449-Y499 AromaticContact CZ-CD1 3.86Å; F449-Y499 HydrophobicContact CZ-CD1 3.86Å; F449-Y499 HydrophobicContact CZ-CG 4.18Å; I469-Y499 HydrophobicContact CD1-CD2 4.09Å; I469-Y499 HydrophobicContact CD1-CE2 4.45Å; E497-Y499 PolarHBondContact O-N 2.74Å; Y499-W502 HydrophobicContact CD2-CE3 4.35Å; Y499-W502 HydrophobicContact CE2-CE3 4.34Å; Y499-W502 HydrophobicContact CE2-CZ3 4.48Å; Y499-W502 PolarHBondContact O-N 3.4Å; Y499-A503 HydrophobicContact CD2-CB 4.42Å; Y499-A503 HydrophobicContact CE2-CB 3.97Å; Y499-A503 WeakPolarHBondContact O-CB 3.5Å; Y499-A503 PolarHBondContact O-N 2.88Å; Y499-A560 HydrophobicContact CD1-CB 4.4Å; Y499-A560 HydrophobicContact CE1-CB 4.08Å; Y499-A560 PolarHBondContact OH-O 3.48Å; Y499-L563 HydrophobicContact CE1-CB 4.4Å; Y499-A564 WeakPolarHBondContact OH-CA 3.44Å; Y499-A564 WeakPolarHBondContact OH-CB 3.26Å; Y499-A564 PolarHBondContact OH-N 3.04Å
500	F	94.7	Very high	93.6	Very high	10 Å²	10	50 Å²	50	4%	0.044	25%	0.246	C	C	.	.	H	α-helix	trans	-66.5	-42.6	-177.8	-60.7	-86.8	0	0	0	111.3	D498 A503 W504 F550 T555 C559 A560 L563	D498-F500 VanDerWaalsContact C-N 3.31Å; D498-F500 PolarHBondContact O-N 2.87Å; D498-F500 WeakPolarHBondContact OD2-CB 3.41Å; D498-F500 PolarHBondContact OD2-N 3.19Å; F500-A503 PolarHBondContact O-N 3.36Å; F500-W504 WeakPolarHBondContact O-CB 3.26Å; F500-W504 PolarHBondContact O-N 3.5Å; F500-F550 HydrophobicContact CE2-CB 3.7Å; F500-F550 AromaticContact CE2-CD1 3.97Å; F500-F550 HydrophobicContact CE2-CD1 3.97Å; F500-F550 AromaticContact CE2-CD2 3.95Å; F500-F550 HydrophobicContact CE2-CD2 3.95Å; F500-F550 AromaticContact CE2-CG 3.58Å; F500-F550 HydrophobicContact CE2-CG 3.58Å; F500-F550 HydrophobicContact CZ-CB 4.24Å; F500-F550 HydrophobicContact CZ-CD1 4.27Å; F500-F550 AromaticContact CZ-CD2 3.62Å; F500-F550 HydrophobicContact CZ-CD2 3.62Å; F500-F550 HydrophobicContact CZ-CE2 4Å; F500-F550 AromaticContact CZ-CG 3.76Å; F500-F550 HydrophobicContact CZ-CG 3.76Å; F500-F550 HydrophobicContact CZ-CZ 4.48Å; F500-T555 HydrophobicContact CD1-CG2 3.67Å; F500-T555 HydrophobicContact CD2-CG2 4.18Å; F500-T555 HydrophobicContact CE1-CG2 3.82Å; F500-T555 HydrophobicContact CE2-CG2 4.32Å; F500-T555 WeakPolarHBondContact CE2-OG1 3.34Å; F500-T555 HydrophobicContact CG-CG2 3.86Å; F500-T555 VanDerWaalsContact CZ-CB 3.44Å; F500-T555 HydrophobicContact CZ-CG2 4.14Å; F500-T555 WeakPolarHBondContact CZ-OG1 3.31Å; F500-C559 HydrophobicContact CE1-CB 3.94Å; F500-A560 HydrophobicContact CE1-CB 3.81Å; F500-A560 HydrophobicContact CZ-CB 3.78Å; F500-L563 HydrophobicContact CD1-CD1 3.72Å; F500-L563 HydrophobicContact CE1-CD1 4.43Å
501	T	93.9	Very high	92.5	Very high	61 Å²	61	49.6 Å²	49.6	37%	0.374	24%	0.242	S	C	.	.	H	α-helix	trans	-62.6	-47.3	176.4	-53.3	0	0	0	0	110.8	E497 D498 K505	E497-T501 WeakPolarHBondContact OE1-CG2 3.27Å; D498-T501 PolarHBondContact O-N 2.77Å; D498-T501 PolarHBondContact OD2-N 3.21Å; D498-T501 PolarHBondContact OD2-OG1 2.92Å; T501-K505 WeakPolarHBondContact O-CG 3.35Å; T501-K505 PolarHBondContact O-N 3.44Å
502	W	95.8	Very high	91.4	Very high	11 Å²	11	53.7 Å²	53.7	4%	0.042	27%	0.268	C	S	.	.	H	α-helix	trans	-60.6	-50	176.8	179.5	86.3	0	0	0	111.8	L446 I467 I469 V495 E497 D498 Y499 W504 K505 Q506 Y523 L567	L446-W502 HydrophobicContact CD1-CH2 4.13Å; L446-W502 HydrophobicContact CD1-CZ3 4.19Å; L446-W502 HydrophobicContact CD2-CH2 3.8Å; I467-W502 HydrophobicContact CD1-CZ2 4.42Å; I467-W502 HydrophobicContact CG2-CZ2 4Å; I469-W502 HydrophobicContact CD1-CD2 3.71Å; I469-W502 HydrophobicContact CD1-CE3 3.38Å; I469-W502 HydrophobicContact CD1-CH2 3.78Å; I469-W502 HydrophobicContact CD1-CZ2 4.07Å; I469-W502 HydrophobicContact CD1-CZ3 3.42Å; I469-W502 VanDerWaalsContact CD1-CZ3 3.42Å; I469-W502 HydrophobicContact CG1-CD2 4.38Å; I469-W502 HydrophobicContact CG1-CE3 4.48Å; V495-W502 VanDerWaalsContact CG1-CD1 3.5Å; V495-W502 HydrophobicContact CG1-CG 4.23Å; E497-W502 HydrophobicContact CB-CB 4.37Å; E497-W502 HydrophobicContact CG-CB 4.3Å; D498-W502 PolarHBondContact O-N 3.27Å; Y499-W502 HydrophobicContact CD2-CE3 4.35Å; Y499-W502 HydrophobicContact CE2-CE3 4.34Å; Y499-W502 HydrophobicContact CE2-CZ3 4.48Å; Y499-W502 PolarHBondContact O-N 3.4Å; W502-W504 VanDerWaalsContact C-N 3.34Å; W502-W504 PolarHBondContact O-N 2.9Å; W502-K505 WeakPolarHBondContact O-CB 3.48Å; W502-K505 PolarHBondContact O-N 3.49Å; W502-K505 VanDerWaalsContact O-N 3.16Å; W502-Q506 HydrophobicContact CD2-CG 3.9Å; W502-Q506 HydrophobicContact CE3-CG 4Å; W502-Q506 HydrophobicContact CH2-CG 3.71Å; W502-Q506 HydrophobicContact CZ2-CG 3.61Å; W502-Q506 HydrophobicContact CZ3-CG 3.91Å; W502-Q506 WeakPolarHBondContact O-CG 3.46Å; W502-Q506 PolarHBondContact O-N 2.76Å; W502-Y523 HydrophobicContact CH2-CE1 4.35Å; W502-Y523 HydrophobicContact CH2-CE2 4.23Å; W502-Y523 AromaticContact CH2-CZ 3.84Å; W502-L567 HydrophobicContact CZ3-CD1 3.96Å
503	A	94.5	Very high	89.8	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.3	-41.8	-177.9	0	0	0	0	0	111.8	Y499 F500 K505 Q506 I507 L563 L567	Y499-A503 HydrophobicContact CD2-CB 4.42Å; Y499-A503 HydrophobicContact CE2-CB 3.97Å; Y499-A503 WeakPolarHBondContact O-CB 3.5Å; Y499-A503 PolarHBondContact O-N 2.88Å; F500-A503 PolarHBondContact O-N 3.36Å; A503-K505 VanDerWaalsContact C-N 3.35Å; A503-K505 PolarHBondContact O-N 3.48Å; A503-Q506 PolarHBondContact O-N 2.9Å; A503-I507 WeakPolarHBondContact O-CG1 3.48Å; A503-I507 PolarHBondContact O-N 3.48Å; A503-L563 HydrophobicContact CB-CB 4.12Å; A503-L563 HydrophobicContact CB-CD1 4.04Å; A503-L563 HydrophobicContact CB-CG 4.46Å; A503-L567 HydrophobicContact CB-CD1 3.88Å
504	W	90.8	Very high	87.8	Confident	134 Å²	134	58.9 Å²	58.9	51%	0.508	30%	0.299	S	S	.	.	H	α-helix	trans	-62.1	-40.7	175.7	-90.5	125	0	0	0	112.8	F500 W502 Q506 I507 Q508 L563	F500-W504 WeakPolarHBondContact O-CB 3.26Å; F500-W504 PolarHBondContact O-N 3.5Å; W502-W504 VanDerWaalsContact C-N 3.34Å; W502-W504 PolarHBondContact O-N 2.9Å; W504-Q506 VanDerWaalsContact C-N 3.34Å; W504-Q506 PolarHBondContact O-N 3.24Å; W504-I507 HydrophobicContact CE3-CB 4.33Å; W504-I507 HydrophobicContact CE3-CG2 4.29Å; W504-I507 HydrophobicContact CZ3-CG2 4.12Å; W504-I507 PolarHBondContact O-N 2.85Å; W504-Q508 WeakPolarHBondContact O-CB 3.37Å; W504-Q508 VanDerWaalsContact O-CG 3.28Å; W504-Q508 WeakPolarHBondContact O-CG 3.47Å; W504-Q508 PolarHBondContact O-N 2.83Å; W504-L563 HydrophobicContact CD2-CD2 4.39Å; W504-L563 HydrophobicContact CZ2-CD2 4.33Å
505	K	92.9	Very high	85.7	Confident	106 Å²	106	62.9 Å²	62.9	46%	0.461	33%	0.331	S	S	.	.	H	α-helix	trans	-61.5	-42.1	174.7	-71.1	170.2	178.2	173.7	0	111.7	E497 T501 W502 A503 Q508 S509	E497-K505 WeakPolarHBondContact OE1-CE 3.47Å; E497-K505 IonicContact OE1-NZ 3.08Å; E497-K505 PolarHBondContact OE1-NZ 2.81Å; E497-K505 IonicContact OE2-NZ 2.84Å; T501-K505 WeakPolarHBondContact O-CG 3.35Å; T501-K505 PolarHBondContact O-N 3.44Å; W502-K505 WeakPolarHBondContact O-CB 3.48Å; W502-K505 PolarHBondContact O-N 3.49Å; W502-K505 VanDerWaalsContact O-N 3.16Å; A503-K505 VanDerWaalsContact C-N 3.35Å; A503-K505 PolarHBondContact O-N 3.48Å; K505-Q508 PolarHBondContact O-N 3.14Å; K505-S509 WeakPolarHBondContact O-CB 3.43Å; K505-S509 PolarHBondContact O-N 3.07Å; K505-S509 PolarHBondContact O-OG 3.22Å
506	Q	93.2	Very high	83.1	Confident	37 Å²	37	65.3 Å²	65.3	17%	0.173	36%	0.359	C	S	.	.	H	α-helix	trans	-64.4	-44.1	176.7	-58.7	-45	-40	0	0	111.7	W502 A503 W504 S509 I510 Y523 L567	W502-Q506 HydrophobicContact CD2-CG 3.9Å; W502-Q506 HydrophobicContact CE3-CG 4Å; W502-Q506 HydrophobicContact CH2-CG 3.71Å; W502-Q506 HydrophobicContact CZ2-CG 3.61Å; W502-Q506 HydrophobicContact CZ3-CG 3.91Å; W502-Q506 WeakPolarHBondContact O-CG 3.46Å; W502-Q506 PolarHBondContact O-N 2.76Å; A503-Q506 PolarHBondContact O-N 2.9Å; W504-Q506 VanDerWaalsContact C-N 3.34Å; W504-Q506 PolarHBondContact O-N 3.24Å; Q506-S509 PolarHBondContact O-N 3.31Å; Q506-S509 PolarHBondContact O-OG 3.46Å; Q506-I510 WeakPolarHBondContact O-CD1 3.02Å; Q506-I510 WeakPolarHBondContact O-CG1 3.34Å; Q506-I510 PolarHBondContact O-N 3.36Å; Q506-Y523 HydrophobicContact CB-CE2 4.41Å; Q506-Y523 HydrophobicContact CG-CE2 4.47Å; Q506-Y523 WeakPolarHBondContact CG-OH 3.31Å; Q506-Y523 PolarHBondContact OE1-OH 3.07Å; Q506-L567 HydrophobicContact CB-CD2 3.76Å
507	I	88.9	Confident	80.6	Confident	7 Å²	7	67.1 Å²	67.1	4%	0.036	37%	0.368	C	S	.	.	H	α-helix	trans	-64	-44.4	178	-69.3	173.4	0	0	0	111	A503 W504 S509 I510 F511 L563 V566 L567	A503-I507 WeakPolarHBondContact O-CG1 3.48Å; A503-I507 PolarHBondContact O-N 3.48Å; W504-I507 HydrophobicContact CE3-CB 4.33Å; W504-I507 HydrophobicContact CE3-CG2 4.29Å; W504-I507 HydrophobicContact CZ3-CG2 4.12Å; W504-I507 PolarHBondContact O-N 2.85Å; I507-S509 PolarHBondContact O-N 3.45Å; I507-I510 WeakPolarHBondContact O-CB 3.4Å; I507-I510 PolarHBondContact O-N 3.3Å; I507-F511 HydrophobicContact CG2-CD2 3.67Å; I507-F511 HydrophobicContact CG2-CE2 3.39Å; I507-F511 WeakPolarHBondContact O-CD2 3.29Å; I507-F511 PolarHBondContact O-N 3.38Å; I507-L563 HydrophobicContact CD1-CD2 3.43Å; I507-L563 VanDerWaalsContact CD1-CD2 3.43Å; I507-V566 HydrophobicContact CD1-CB 4.46Å; I507-V566 HydrophobicContact CD1-CG1 4Å; I507-V566 HydrophobicContact CG1-CG1 4.27Å; I507-L567 HydrophobicContact CG1-CD2 3.82Å; I507-L567 HydrophobicContact CG1-CG 4.26Å
508	Q	87.7	Confident	77.8	Confident	118 Å²	118	71.5 Å²	71.5	55%	0.551	40%	0.399	S	S	*	.	H	α-helix	trans	-62.4	-41.6	177.1	-74.3	176.4	-0.1	0	0	112.1	W504 K505 I510 F511 V512	W504-Q508 WeakPolarHBondContact O-CB 3.37Å; W504-Q508 VanDerWaalsContact O-CG 3.28Å; W504-Q508 WeakPolarHBondContact O-CG 3.47Å; W504-Q508 PolarHBondContact O-N 2.83Å; K505-Q508 PolarHBondContact O-N 3.14Å; Q508-I510 VanDerWaalsContact C-N 3.3Å; Q508-I510 PolarHBondContact O-N 3.15Å; Q508-F511 PolarHBondContact O-N 2.8Å; Q508-V512 WeakPolarHBondContact O-CG2 3.5Å; Q508-V512 PolarHBondContact O-N 2.92Å
509	S	85.7	Confident	75.3	Confident	47 Å²	47	76 Å²	76	33%	0.329	42%	0.422	S	S	.	.	H	α-helix	trans	-64.4	-36.9	178.2	76.4	0	0	0	0	111.7	K505 Q506 I507 S513	K505-S509 WeakPolarHBondContact O-CB 3.43Å; K505-S509 PolarHBondContact O-N 3.07Å; K505-S509 PolarHBondContact O-OG 3.22Å; Q506-S509 PolarHBondContact O-N 3.31Å; Q506-S509 PolarHBondContact O-OG 3.46Å; I507-S509 PolarHBondContact O-N 3.45Å; S509-S513 VanDerWaalsContact O-CB 3.24Å; S509-S513 WeakPolarHBondContact O-CB 3.36Å; S509-S513 PolarHBondContact O-N 3.49Å; S509-S513 PolarHBondContact O-OG 2.79Å
510	I	77.4	Confident	73.1	Confident	48 Å²	48	83.4 Å²	83.4	25%	0.246	46%	0.462	C	S	.	.	H	α-helix	trans	-61.6	-49.1	173	-67.9	163.1	0	0	0	110.3	Q506 I507 Q508 V512 S513 Q514 L567	Q506-I510 WeakPolarHBondContact O-CD1 3.02Å; Q506-I510 WeakPolarHBondContact O-CG1 3.34Å; Q506-I510 PolarHBondContact O-N 3.36Å; I507-I510 WeakPolarHBondContact O-CB 3.4Å; I507-I510 PolarHBondContact O-N 3.3Å; Q508-I510 VanDerWaalsContact C-N 3.3Å; Q508-I510 PolarHBondContact O-N 3.15Å; I510-V512 PolarHBondContact O-N 2.73Å; I510-S513 PolarHBondContact O-N 2.73Å; I510-Q514 VanDerWaalsContact O-CG 3.3Å; I510-Q514 WeakPolarHBondContact O-CG 3.49Å; I510-Q514 PolarHBondContact O-N 3.31Å; I510-L567 HydrophobicContact CD1-CD2 4.46Å
511	F	73.7	Confident	71.2	Confident	137 Å²	137	86.8 Å²	86.8	60%	0.601	48%	0.481	S	S	*	.	H	α-helix	trans	-64.7	-38.6	179.9	-78.6	-64	0	0	0	113.5	I507 Q508	I507-F511 HydrophobicContact CG2-CD2 3.67Å; I507-F511 HydrophobicContact CG2-CE2 3.39Å; I507-F511 WeakPolarHBondContact O-CD2 3.29Å; I507-F511 PolarHBondContact O-N 3.38Å; Q508-F511 PolarHBondContact O-N 2.8Å
512	V	74.6	Confident	70.1	Confident	111 Å²	111	86 Å²	86	67%	0.673	49%	0.485	S	S	*	.	H	α-helix	trans	-70.1	-39.1	178.3	173.5	0	0	0	0	111.2	Q508 I510 Q514	Q508-V512 WeakPolarHBondContact O-CG2 3.5Å; Q508-V512 PolarHBondContact O-N 2.92Å; I510-V512 PolarHBondContact O-N 2.73Å; V512-Q514 VanDerWaalsContact C-N 3.3Å; V512-Q514 PolarHBondContact O-N 3.29Å
513	S	63.8	Low	69.9	Low	63 Å²	63	86.1 Å²	86.1	44%	0.441	49%	0.485	S	S	.	.	H	α-helix	trans	-74.5	-17.7	-176.6	-55.2	0	0	0	0	113.8	S509 I510 S515	S509-S513 VanDerWaalsContact O-CB 3.24Å; S509-S513 WeakPolarHBondContact O-CB 3.36Å; S509-S513 PolarHBondContact O-N 3.49Å; S509-S513 PolarHBondContact O-OG 2.79Å; I510-S513 PolarHBondContact O-N 2.73Å; S513-S515 PolarHBondContact O-N 2.98Å
514	Q	57.6	Low	69.9	Low	137 Å²	137	86.9 Å²	86.9	64%	0.64	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	0.9	177.6	-80.2	176	17.9	0	0	114.6	I510 V512	I510-Q514 VanDerWaalsContact O-CG 3.3Å; I510-Q514 WeakPolarHBondContact O-CG 3.49Å; I510-Q514 PolarHBondContact O-N 3.31Å; V512-Q514 VanDerWaalsContact C-N 3.3Å; V512-Q514 PolarHBondContact O-N 3.29Å
515	S	53.9	Low	70.2	Confident	116 Å²	116	80.5 Å²	80.5	81%	0.811	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	6.5	175.1	-59.9	0	0	0	0	115.6	S513	S513-S515 PolarHBondContact O-N 2.98Å
516	G	44	Very low	70.4	Confident	68 Å²	68	75.5 Å²	75.5	70%	0.701	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	168.7	-2.8	171.4	0	0	0	0	0	120.5
517	V	45.1	Very low	70.7	Confident	109 Å²	109	73.7 Å²	73.7	66%	0.661	44%	0.436	S	S	*	.			trans	-141.8	124.1	177.2	-178	0	0	0	0	109.9	N519	V517-N519 PolarHBondContact O-N 3.36Å
518	T	36.8	Very low	71.1	Confident	141 Å²	141	73.4 Å²	73.4	87%	0.865	43%	0.434	S	S	*	.			trans	-68.1	68	178.9	53.3	0	0	0	0	111.9	N520	T518-N520 PolarHBondContact O-N 3.19Å
519	N	40.3	Very low	71.5	Confident	131 Å²	131	68.7 Å²	68.7	70%	0.701	41%	0.414	S	S	*	.			trans	-87.4	88.9	162.2	-96.9	3.7	0	0	0	108.3	V517 L521	V517-N519 PolarHBondContact O-N 3.36Å; N519-L521 PolarHBondContact O-N 2.81Å
520	N	49	Very low	71.9	Confident	159 Å²	159	66.7 Å²	66.7	85%	0.85	40%	0.4	S	S	*	.			trans	-66.1	78.8	169.9	-145.2	11.2	0	0	0	107.2	T518 G522	T518-N520 PolarHBondContact O-N 3.19Å; N520-G522 PolarHBondContact O-N 3.46Å
521	L	55.2	Low	72.6	Confident	82 Å²	82	67.6 Å²	67.6	43%	0.429	41%	0.409	S	S	.	.			trans	-73.2	58.5	168.4	-149.8	78.8	0	0	0	107.8	N519 Y523	N519-L521 PolarHBondContact O-N 2.81Å; L521-Y523 HydrophobicContact CD2-CE1 4.47Å; L521-Y523 HydrophobicContact CD2-CE2 4.27Å; L521-Y523 VanDerWaalsContact CD2-OH 3.27Å; L521-Y523 WeakPolarHBondContact CD2-OH 3.48Å; L521-Y523 HydrophobicContact CG-CE1 4.44Å; L521-Y523 PolarHBondContact O-N 3.29Å
522	G	70.8	Confident	73.4	Confident	45 Å²	45	63.1 Å²	63.1	46%	0.464	39%	0.388	S	S	.	.			trans	-86.3	86.2	-174	0	0	0	0	0	108.5	N520 T524	N520-G522 PolarHBondContact O-N 3.46Å; G522-T524 PolarHBondContact O-N 2.83Å
523	Y	92.9	Very high	74	Confident	13 Å²	13	60.4 Å²	60.4	5%	0.051	38%	0.383	C	S	.	.			trans	-54.4	123.6	166.5	-54.4	-64.6	0	0	0	108.2	T444 L446 I467 W502 Q506 L521 L567 T568	T444-Y523 HydrophobicContact CG2-CD1 3.93Å; T444-Y523 HydrophobicContact CG2-CE1 4.42Å; L446-Y523 HydrophobicContact CD1-CD1 4.33Å; L446-Y523 HydrophobicContact CD1-CD2 4.08Å; L446-Y523 HydrophobicContact CD1-CG 3.87Å; L446-Y523 HydrophobicContact CD2-CD1 3.49Å; L446-Y523 VanDerWaalsContact CD2-CD1 3.49Å; L446-Y523 HydrophobicContact CD2-CE1 3.82Å; L446-Y523 HydrophobicContact CD2-CG 3.9Å; L446-Y523 HydrophobicContact CG-CD1 4.08Å; L446-Y523 HydrophobicContact CG-CG 4Å; I467-Y523 HydrophobicContact CD1-CD1 4.26Å; I467-Y523 HydrophobicContact CD1-CE1 3.55Å; W502-Y523 HydrophobicContact CH2-CE1 4.35Å; W502-Y523 HydrophobicContact CH2-CE2 4.23Å; W502-Y523 AromaticContact CH2-CZ 3.84Å; Q506-Y523 HydrophobicContact CB-CE2 4.41Å; Q506-Y523 HydrophobicContact CG-CE2 4.47Å; Q506-Y523 WeakPolarHBondContact CG-OH 3.31Å; Q506-Y523 PolarHBondContact OE1-OH 3.07Å; L521-Y523 HydrophobicContact CD2-CE1 4.47Å; L521-Y523 HydrophobicContact CD2-CE2 4.27Å; L521-Y523 VanDerWaalsContact CD2-OH 3.27Å; L521-Y523 WeakPolarHBondContact CD2-OH 3.48Å; L521-Y523 HydrophobicContact CG-CE1 4.44Å; L521-Y523 PolarHBondContact O-N 3.29Å; Y523-L567 HydrophobicContact CD2-CB 3.99Å; Y523-L567 HydrophobicContact CD2-CD2 4.06Å; Y523-L567 HydrophobicContact CE2-CD2 3.82Å; Y523-T568 VanDerWaalsContact O-CA 3.3Å; Y523-T568 WeakPolarHBondContact O-CA 3.2Å
524	T	94.2	Very high	75	Confident	16 Å²	16	58.3 Å²	58.3	10%	0.098	37%	0.371	C	S	.	.			trans	-75.2	-39.4	-167.9	-52.1	0	0	0	0	111.5	F435 Y443 T444 G522 N571	F435-T524 HydrophobicContact CB-CG2 3.69Å; F435-T524 HydrophobicContact CD1-CG2 3.43Å; F435-T524 VanDerWaalsContact CD1-CG2 3.43Å; F435-T524 HydrophobicContact CD2-CG2 3.63Å; F435-T524 HydrophobicContact CE1-CG2 3.86Å; F435-T524 HydrophobicContact CE2-CG2 4.02Å; F435-T524 HydrophobicContact CG-CG2 3.29Å; F435-T524 HydrophobicContact CZ-CG2 4.13Å; Y443-T524 HydrophobicContact CD1-CG2 3.68Å; Y443-T524 VanDerWaalsContact CD1-OG1 3.29Å; Y443-T524 WeakPolarHBondContact CD1-OG1 3.38Å; Y443-T524 HydrophobicContact CE1-CG2 4.31Å; Y443-T524 HydrophobicContact CG-CG2 4.01Å; T444-T524 PolarHBondContact N-OG1 2.88Å; T444-T524 WeakPolarHBondContact O-CB 3.26Å; T444-T524 PolarHBondContact O-N 3.33Å; T444-T524 PolarHBondContact O-OG1 3.02Å; G522-T524 PolarHBondContact O-N 2.83Å; T524-N571 WeakPolarHBondContact O-CB 3.43Å; T524-N571 PolarHBondContact O-ND2 3.33Å
525	A	96.7	Very high	76.3	Confident	0 Å²	0	54 Å²	54	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	164.1	176.7	0	0	0	0	0	110.1	I431 F435 V445 L446 N571 L624	I431-A525 HydrophobicContact CD1-CB 4.14Å; I431-A525 HydrophobicContact CG2-CB 3.82Å; F435-A525 HydrophobicContact CE2-CB 4.48Å; V445-A525 CarbonylContact C-O 3.54Å; V445-A525 WeakPolarHBondContact CA-O 3.45Å; L446-A525 PolarHBondContact N-O 3.28Å; A525-N571 CarbonylContact C-O 3.55Å; A525-N571 VanDerWaalsContact CA-O 3.27Å; A525-N571 WeakPolarHBondContact CA-O 3.04Å; A525-N571 HydrophobicContact CB-CB 4.28Å; A525-L624 HydrophobicContact CB-CD1 4.17Å
526	A	98	Very high	77.8	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	144.1	169.2	0	0	0	0	0	110.4	L446 I448 T568 N571 V572 A573	L446-A526 HydrophobicContact CB-CB 3.84Å; L446-A526 HydrophobicContact CD1-CB 4.4Å; L446-A526 HydrophobicContact CG-CB 4.49Å; L446-A526 CarbonylContact O-C 3.27Å; L446-A526 VanDerWaalsContact O-CA 3.3Å; L446-A526 WeakPolarHBondContact O-CA 3.45Å; I448-A526 HydrophobicContact CD1-CB 3.72Å; I448-A526 HydrophobicContact CG1-CB 4.43Å; A526-T568 HydrophobicContact CB-CG2 3.7Å; A526-N571 PolarHBondContact N-O 3.04Å; A526-V572 HydrophobicContact CB-CG2 4.41Å; A526-V572 CarbonylContact O-C 3.46Å; A526-V572 WeakPolarHBondContact O-CA 3.29Å; A526-A573 PolarHBondContact O-N 3.19Å
527	L	98.3	Very high	79.8	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	135.6	158.1	-174.2	87.9	0	0	0	108.2	Q427 L446 I448 N455 F459 A573	Q427-L527 HydrophobicContact CB-CD1 4.44Å; Q427-L527 HydrophobicContact CG-CD1 4.49Å; L446-L527 PolarHBondContact O-N 3.44Å; I448-L527 WeakPolarHBondContact CB-O 3.38Å; I448-L527 PolarHBondContact N-O 3.38Å; N455-L527 HydrophobicContact CB-CD2 3.35Å; N455-L527 WeakPolarHBondContact ND2-CD2 3.46Å; F459-L527 HydrophobicContact CE2-CB 3.71Å; F459-L527 HydrophobicContact CE2-CD2 3.9Å; F459-L527 HydrophobicContact CE2-CG 4.38Å; F459-L527 HydrophobicContact CZ-CB 3.59Å; F459-L527 HydrophobicContact CZ-CD1 4.3Å; F459-L527 HydrophobicContact CZ-CD2 3.85Å; F459-L527 HydrophobicContact CZ-CG 4.12Å; L527-A573 CarbonylContact C-O 3.55Å; L527-A573 VanDerWaalsContact CA-O 3.26Å; L527-A573 WeakPolarHBondContact CA-O 3.28Å; L527-A573 HydrophobicContact CD1-CB 3.64Å
528	M	97.6	Very high	81.7	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	121.2	174.3	-68.2	177	69.7	0	0	109.9	I448 F449 P530 A560 L561 A564 V572 A573 L574 F575	I448-M528 HydrophobicContact CB-CG 3.95Å; I448-M528 HydrophobicContact CD1-CG 3.61Å; I448-M528 HydrophobicContact CD1-SD 4.4Å; I448-M528 HydrophobicContact CG1-CG 4.31Å; I448-M528 HydrophobicContact CG2-CG 4.31Å; F449-M528 HydrophobicContact CE2-CE 4.36Å; M528-P530 VanDerWaalsContact C-CD 3.49Å; M528-P530 WeakPolarHBondContact O-CD 3.31Å; M528-A560 VanDerWaalsContact CE-C 3.5Å; M528-A560 HydrophobicContact CE-CB 3.54Å; M528-L561 HydrophobicContact SD-CB 4.48Å; M528-L561 HydrophobicContact SD-CD1 4.05Å; M528-A564 HydrophobicContact CG-CB 4.23Å; M528-A564 HydrophobicContact SD-CB 3.44Å; M528-A564 WeakPolarHBondContact SD-CB 3.45Å; M528-V572 HydrophobicContact CG-CG1 4.14Å; M528-V572 HydrophobicContact SD-CG1 3.86Å; M528-A573 PolarHBondContact N-O 3.21Å; M528-L574 HydrophobicContact CB-CD1 3.75Å; M528-F575 PolarHBondContact O-N 3.3Å
529	S	95.9	Very high	84	Confident	20 Å²	20	46.7 Å²	46.7	14%	0.14	28%	0.284	C	S	.	.			trans	-123.2	67.3	175.5	-58.7	0	0	0	0	110.7	I448 F449	I448-S529 PolarHBondContact O-N 3.47Å; I448-S529 VanDerWaalsContact O-N 3.1Å; F449-S529 WeakPolarHBondContact CB-O 3.39Å
530	P	94.4	Very high	86.1	Confident	4 Å²	4	46.4 Å²	46.4	3%	0.026	28%	0.278	C	S	.	.			trans	-63.2	162.1	-173.8	30	-37.6	0	0	0	112.4	F449 M528 W532 I548 F550 L557 L574	F449-P530 HydrophobicContact CD2-CB 3.97Å; F449-P530 HydrophobicContact CE2-CB 4.01Å; M528-P530 VanDerWaalsContact C-CD 3.49Å; M528-P530 WeakPolarHBondContact O-CD 3.31Å; P530-W532 PolarHBondContact O-N 3.41Å; P530-W532 PolarHBondContact O-NE1 3.38Å; P530-W532 VanDerWaalsContact O-NE1 3.15Å; P530-I548 HydrophobicContact CB-CG2 3.83Å; P530-I548 HydrophobicContact CG-CD1 3.98Å; P530-I548 HydrophobicContact CG-CG2 4.28Å; P530-F550 HydrophobicContact CB-CE1 3.8Å; P530-F550 HydrophobicContact CB-CZ 3.79Å; P530-L557 HydrophobicContact CG-CD1 3.98Å; P530-L574 HydrophobicContact CG-CD1 4.29Å
531	P	92	Very high	87.8	Confident	67 Å²	67	45.9 Å²	45.9	44%	0.435	27%	0.271	S	S	.	.			trans	-65.4	126.5	175.9	27.9	-34.5	0	0	0	111.1	F550	P531-F550 HydrophobicContact CG-CD1 4.49Å; P531-F550 HydrophobicContact CG-CE1 4.48Å
532	W	91.4	Very high	89.3	Confident	43 Å²	43	44 Å²	44	16%	0.163	27%	0.265	C	S	.	.			trans	-91.6	4.8	-179.9	-52.9	-20.4	0	0	0	113.9	P530 Y537 F543 F575 P577 A616	P530-W532 PolarHBondContact O-N 3.41Å; P530-W532 PolarHBondContact O-NE1 3.38Å; P530-W532 VanDerWaalsContact O-NE1 3.15Å; W532-Y537 HydrophobicContact CB-CD1 4.4Å; W532-Y537 HydrophobicContact CE3-CD1 4.08Å; W532-Y537 AromaticContact CE3-CE1 3.86Å; W532-Y537 HydrophobicContact CE3-CE1 3.86Å; W532-Y537 HydrophobicContact CZ3-CE1 4.3Å; W532-F543 HydrophobicContact CB-CZ 4.4Å; W532-F575 AromaticContact CH2-CD1 3.78Å; W532-F575 HydrophobicContact CH2-CD1 3.78Å; W532-F575 AromaticContact CH2-CE1 3.44Å; W532-F575 HydrophobicContact CH2-CE1 3.44Å; W532-F575 VanDerWaalsContact CH2-CE1 3.44Å; W532-F575 HydrophobicContact CH2-CZ 4.03Å; W532-F575 AromaticContact CZ2-CD1 3.41Å; W532-F575 HydrophobicContact CZ2-CD1 3.41Å; W532-F575 VanDerWaalsContact CZ2-CD1 3.41Å; W532-F575 AromaticContact CZ2-CE1 3.62Å; W532-F575 HydrophobicContact CZ2-CE1 3.62Å; W532-F575 HydrophobicContact CZ2-CG 4.09Å; W532-F575 HydrophobicContact CZ2-CZ 4.45Å; W532-F575 PolarHBondContact NE1-O 2.83Å; W532-P577 HydrophobicContact CB-CG 3.93Å; W532-P577 HydrophobicContact CD2-CG 3.57Å; W532-P577 HydrophobicContact CE3-CB 4.48Å; W532-P577 HydrophobicContact CE3-CG 3.81Å; W532-P577 HydrophobicContact CG-CG 3.62Å; W532-A616 HydrophobicContact CH2-CB 4.04Å
533	G	85.8	Confident	90.1	Very high	55 Å²	55	42.3 Å²	42.3	57%	0.567	24%	0.244	S	C	*	.			trans	84.5	15	-173.3	0	0	0	0	0	114.9	S536	G533-S536 PolarHBondContact O-OG 3.24Å
534	G	85.4	Confident	89.8	Confident	19 Å²	19	45.5 Å²	45.5	20%	0.196	26%	0.262	C	S	.	.	S	Bend	trans	76.4	-171.4	-179.6	0	0	0	0	0	113.4	S536 Y537	G534-S536 PolarHBondContact O-N 3.09Å; G534-Y537 WeakPolarHBondContact O-CD1 3.04Å; G534-Y537 PolarHBondContact O-N 3.14Å; G534-Y537 VanDerWaalsContact O-N 3.15Å
535	P	84.6	Confident	89.6	Confident	46 Å²	46	45.3 Å²	45.3	30%	0.299	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-58.6	-17.6	-170.6	-27.4	36.6	0	0	0	116.4	Y393 F416 Y537 L538	Y393-P535 HydrophobicContact CE2-CG 4.28Å; Y393-P535 WeakPolarHBondContact OH-CB 3.5Å; Y393-P535 WeakPolarHBondContact OH-CG 3.24Å; F416-P535 HydrophobicContact CB-CG 4.14Å; F416-P535 HydrophobicContact CD1-CG 4.02Å; F416-P535 HydrophobicContact CD2-CG 4.21Å; F416-P535 HydrophobicContact CE1-CG 4.46Å; F416-P535 HydrophobicContact CG-CG 3.88Å; P535-Y537 PolarHBondContact O-N 3.16Å; P535-L538 PolarHBondContact O-N 3.23Å
536	S	86.3	Confident	89.1	Confident	59 Å²	59	49.4 Å²	49.4	41%	0.413	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-66.8	-10.3	176.4	50.8	0	0	0	0	113.9	G533 G534 L538 D539	G533-S536 PolarHBondContact O-OG 3.24Å; G534-S536 PolarHBondContact O-N 3.09Å; S536-L538 PolarHBondContact O-N 3.1Å; S536-D539 WeakPolarHBondContact CA-OD2 3.27Å; S536-D539 VanDerWaalsContact CB-OD2 3.29Å; S536-D539 WeakPolarHBondContact CB-OD2 3.32Å; S536-D539 VanDerWaalsContact O-CB 3.26Å; S536-D539 WeakPolarHBondContact O-CB 3.37Å; S536-D539 VanDerWaalsContact O-CG 3.22Å; S536-D539 PolarHBondContact O-N 3.4Å
537	Y	85.2	Confident	88.6	Confident	30 Å²	30	52.1 Å²	52.1	12%	0.118	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-56	-20	171.1	80.8	-105.4	0	0	0	113.1	W532 G534 P535 P577 R578 N579	W532-Y537 HydrophobicContact CB-CD1 4.4Å; W532-Y537 HydrophobicContact CE3-CD1 4.08Å; W532-Y537 AromaticContact CE3-CE1 3.86Å; W532-Y537 HydrophobicContact CE3-CE1 3.86Å; W532-Y537 HydrophobicContact CZ3-CE1 4.3Å; G534-Y537 WeakPolarHBondContact O-CD1 3.04Å; G534-Y537 PolarHBondContact O-N 3.14Å; G534-Y537 VanDerWaalsContact O-N 3.15Å; P535-Y537 PolarHBondContact O-N 3.16Å; Y537-P577 HydrophobicContact CD2-CB 3.58Å; Y537-P577 HydrophobicContact CD2-CG 4.02Å; Y537-P577 HydrophobicContact CE2-CB 3.75Å; Y537-P577 HydrophobicContact CE2-CG 4.45Å; Y537-P577 HydrophobicContact CG-CB 4.3Å; Y537-P577 HydrophobicContact CG-CG 4.26Å; Y537-R578 PolarHBondContact OH-NH1 3.14Å; Y537-N579 WeakPolarHBondContact CD2-OD1 3.27Å; Y537-N579 PolarHBondContact O-ND2 3.27Å
538	L	85.2	Confident	88.2	Confident	66 Å²	66	52.3 Å²	52.3	35%	0.346	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-84.7	-5.8	177.9	-67.4	174.6	0	0	0	114.4	P535 S536 H540 R578	P535-L538 PolarHBondContact O-N 3.23Å; S536-L538 PolarHBondContact O-N 3.1Å; L538-H540 PolarHBondContact O-N 3.09Å; L538-R578 VanDerWaalsContact CD2-CZ 3.46Å
539	D	85.2	Confident	87.6	Confident	126 Å²	126	59.8 Å²	59.8	67%	0.674	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-72.5	-15.1	-179.7	-60.9	-17.9	0	0	0	111.6	S536	S536-D539 WeakPolarHBondContact CA-OD2 3.27Å; S536-D539 VanDerWaalsContact CB-OD2 3.29Å; S536-D539 WeakPolarHBondContact CB-OD2 3.32Å; S536-D539 VanDerWaalsContact O-CB 3.26Å; S536-D539 WeakPolarHBondContact O-CB 3.37Å; S536-D539 VanDerWaalsContact O-CG 3.22Å; S536-D539 PolarHBondContact O-N 3.4Å
540	H	83.4	Confident	87.3	Confident	125 Å²	125	59.9 Å²	59.9	58%	0.579	34%	0.342	S	S	*	.	S	Bend	trans	-109.6	140.4	175.6	-60	-71.3	0	0	0	112.1	L538 S542 N579	L538-H540 PolarHBondContact O-N 3.09Å; H540-S542 PolarHBondContact O-N 3.29Å; H540-N579 PolarHBondContact O-ND2 2.97Å
541	E	85	Confident	86.4	Confident	147 Å²	147	67.8 Å²	67.8	69%	0.687	38%	0.379	S	S	*	.	S	Bend	trans	-58.3	-38	176.4	-174.3	-179.2	179.9	0	0	111.3	R39	R39-E541 IonicContact CZ-OE1 3.81Å; R39-E541 IonicContact NH1-OE1 2.64Å; R39-E541 PolarHBondContact NH1-OE1 3.05Å; R39-E541 IonicContact NH1-OE2 3.19Å
542	S	86.3	Confident	85.1	Confident	44 Å²	44	69.1 Å²	69.1	31%	0.308	38%	0.382	S	S	.	.	S	Bend	trans	-128	128.6	175.8	-165.1	0	0	0	0	110.7	H540 N579 N581	H540-S542 PolarHBondContact O-N 3.29Å; S542-N579 CarbonylContact C-O 3.5Å; S542-N579 VanDerWaalsContact CA-O 3.31Å; S542-N579 WeakPolarHBondContact CA-O 3.36Å; S542-N579 PolarHBondContact OG-O 3.26Å; S542-N581 WeakPolarHBondContact OG-CB 3.47Å
543	F	88.7	Confident	83.4	Confident	8 Å²	8	73.1 Å²	73.1	4%	0.035	42%	0.417	C	S	.	.	B	Isolated β-bridge	trans	-79.6	121.5	177.5	-179	-93.6	0	0	0	109.5	W532 L545 I548 P577 N579 N581	W532-F543 HydrophobicContact CB-CZ 4.4Å; F543-L545 HydrophobicContact CD1-CD2 4.43Å; F543-L545 HydrophobicContact CE1-CD2 4.42Å; F543-I548 HydrophobicContact CE1-CD1 3.86Å; F543-I548 HydrophobicContact CE1-CG1 3.79Å; F543-I548 HydrophobicContact CZ-CD1 4.2Å; F543-I548 HydrophobicContact CZ-CG1 3.69Å; F543-P577 HydrophobicContact CB-CB 4.09Å; F543-P577 HydrophobicContact CB-CG 4.45Å; F543-P577 HydrophobicContact CD1-CB 4.19Å; F543-P577 HydrophobicContact CD1-CG 3.72Å; F543-P577 HydrophobicContact CD2-CB 4.26Å; F543-P577 HydrophobicContact CD2-CG 3.86Å; F543-P577 HydrophobicContact CE1-CG 3.82Å; F543-P577 HydrophobicContact CE2-CG 3.94Å; F543-P577 HydrophobicContact CG-CB 3.92Å; F543-P577 HydrophobicContact CG-CG 3.74Å; F543-P577 HydrophobicContact CZ-CG 3.91Å; F543-N579 PolarHBondContact N-O 3.27Å; F543-N581 PolarHBondContact O-N 3.42Å
544	N	86.7	Confident	82.8	Confident	80 Å²	80	77.5 Å²	77.5	43%	0.428	43%	0.427	S	S	.	.			trans	-84.1	125.4	176.5	-176.1	-16	0	0	0	109.5	S546 S547	N544-S546 PolarHBondContact ND2-OG 2.97Å; N544-S546 VanDerWaalsContact ND2-OG 3.12Å; N544-S546 PolarHBondContact O-N 3.15Å; N544-S546 WeakPolarHBondContact OD1-CB 3.3Å; N544-S546 PolarHBondContact OD1-N 2.96Å; N544-S546 PolarHBondContact OD1-OG 3.41Å; N544-S547 VanDerWaalsContact O-CB 3.27Å; N544-S547 WeakPolarHBondContact O-CB 3.46Å; N544-S547 PolarHBondContact O-N 3.22Å; N544-S547 PolarHBondContact O-OG 3.23Å
545	L	89.6	Confident	82.7	Confident	12 Å²	12	78.4 Å²	78.4	6%	0.063	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-61.3	-23.8	178.9	-66.3	-175.4	0	0	0	113.5	F543 S547 I548 L557 L576 T580 D584 F585 I588	F543-L545 HydrophobicContact CD1-CD2 4.43Å; F543-L545 HydrophobicContact CE1-CD2 4.42Å; L545-S547 PolarHBondContact O-N 3.48Å; L545-I548 PolarHBondContact O-N 3.15Å; L545-L557 HydrophobicContact CB-CD2 3.89Å; L545-L557 HydrophobicContact CD1-CD2 4.05Å; L545-L557 HydrophobicContact CD2-CD2 3.79Å; L545-L557 HydrophobicContact CG-CD2 4.13Å; L545-L576 HydrophobicContact CD2-CD1 3.97Å; L545-L576 HydrophobicContact CD2-CD2 4.1Å; L545-T580 HydrophobicContact CD2-CG2 3.57Å; L545-T580 HydrophobicContact CG-CG2 4.17Å; L545-D584 HydrophobicContact CD1-CB 3.59Å; L545-D584 HydrophobicContact CG-CB 4Å; L545-D584 PolarHBondContact N-OD2 3.3Å; L545-F585 HydrophobicContact CD1-CD2 4.22Å; L545-F585 HydrophobicContact CD1-CE2 3.75Å; L545-F585 HydrophobicContact CD1-CZ 4.02Å; L545-I588 HydrophobicContact CD1-CD1 3.59Å
546	S	86.6	Confident	82.9	Confident	86 Å²	86	79.8 Å²	79.8	60%	0.601	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-69.3	-15.1	175	76.2	0	0	0	0	113.4	N544 I548	N544-S546 PolarHBondContact ND2-OG 2.97Å; N544-S546 VanDerWaalsContact ND2-OG 3.12Å; N544-S546 PolarHBondContact O-N 3.15Å; N544-S546 WeakPolarHBondContact OD1-CB 3.3Å; N544-S546 PolarHBondContact OD1-N 2.96Å; N544-S546 PolarHBondContact OD1-OG 3.41Å; S546-I548 PolarHBondContact O-N 3.06Å
547	S	87.1	Confident	83.2	Confident	58 Å²	58	77.3 Å²	77.3	41%	0.406	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-76.2	-8.5	175.9	-56.9	0	0	0	0	113.1	N544 L545 E549	N544-S547 VanDerWaalsContact O-CB 3.27Å; N544-S547 WeakPolarHBondContact O-CB 3.46Å; N544-S547 PolarHBondContact O-N 3.22Å; N544-S547 PolarHBondContact O-OG 3.23Å; L545-S547 PolarHBondContact O-N 3.48Å; S547-E549 PolarHBondContact O-N 3.28Å
548	I	90.3	Very high	83.4	Confident	3 Å²	3	77.4 Å²	77.4	2%	0.015	42%	0.416	C	S	.	.			trans	-77.6	104.3	172.1	-66.3	174.2	0	0	0	108.1	P530 F543 L545 S546 F550 L557 L576	P530-I548 HydrophobicContact CB-CG2 3.83Å; P530-I548 HydrophobicContact CG-CD1 3.98Å; P530-I548 HydrophobicContact CG-CG2 4.28Å; F543-I548 HydrophobicContact CE1-CD1 3.86Å; F543-I548 HydrophobicContact CE1-CG1 3.79Å; F543-I548 HydrophobicContact CZ-CD1 4.2Å; F543-I548 HydrophobicContact CZ-CG1 3.69Å; L545-I548 PolarHBondContact O-N 3.15Å; S546-I548 PolarHBondContact O-N 3.06Å; I548-F550 HydrophobicContact CG2-CE1 4.21Å; I548-F550 HydrophobicContact CG2-CE2 3.76Å; I548-F550 HydrophobicContact CG2-CZ 3.56Å; I548-L557 HydrophobicContact CB-CB 4.43Å; I548-L557 HydrophobicContact CD1-CD1 4.07Å; I548-L557 HydrophobicContact CD1-CD2 3.99Å; I548-L557 HydrophobicContact CD1-CG 4.48Å; I548-L557 HydrophobicContact CG2-CB 4.49Å; I548-L557 HydrophobicContact CG2-CD1 4.41Å; I548-L576 HydrophobicContact CD1-CD2 3.7Å
549	E	85.7	Confident	83.6	Confident	157 Å²	157	76.3 Å²	76.3	73%	0.734	41%	0.414	S	S	*	.			trans	-102.7	138.6	177.9	-64.8	-179.2	179.4	0	0	110.5	S547	S547-E549 PolarHBondContact O-N 3.28Å
550	F	89.1	Confident	84	Confident	23 Å²	23	70.3 Å²	70.3	10%	0.101	38%	0.381	C	S	.	.			trans	-109	154.4	172	-59.6	-78	0	0	0	109.3	F449 F500 P530 P531 I548 N552 A560	F449-F550 HydrophobicContact CD2-CE1 4.49Å; F449-F550 AromaticContact CE1-CD1 3.86Å; F449-F550 HydrophobicContact CE1-CD1 3.86Å; F449-F550 AromaticContact CE1-CE1 3.68Å; F449-F550 HydrophobicContact CE1-CE1 3.68Å; F449-F550 AromaticContact CE2-CE1 3.63Å; F449-F550 HydrophobicContact CE2-CE1 3.63Å; F449-F550 HydrophobicContact CE2-CZ 4.17Å; F449-F550 AromaticContact CZ-CD1 3.72Å; F449-F550 HydrophobicContact CZ-CD1 3.72Å; F449-F550 AromaticContact CZ-CE1 3.16Å; F449-F550 HydrophobicContact CZ-CE1 3.16Å; F449-F550 AromaticContact CZ-CZ 3.97Å; F449-F550 HydrophobicContact CZ-CZ 3.97Å; F500-F550 HydrophobicContact CE2-CB 3.7Å; F500-F550 AromaticContact CE2-CD1 3.97Å; F500-F550 HydrophobicContact CE2-CD1 3.97Å; F500-F550 AromaticContact CE2-CD2 3.95Å; F500-F550 HydrophobicContact CE2-CD2 3.95Å; F500-F550 AromaticContact CE2-CG 3.58Å; F500-F550 HydrophobicContact CE2-CG 3.58Å; F500-F550 HydrophobicContact CZ-CB 4.24Å; F500-F550 HydrophobicContact CZ-CD1 4.27Å; F500-F550 AromaticContact CZ-CD2 3.62Å; F500-F550 HydrophobicContact CZ-CD2 3.62Å; F500-F550 HydrophobicContact CZ-CE2 4Å; F500-F550 AromaticContact CZ-CG 3.76Å; F500-F550 HydrophobicContact CZ-CG 3.76Å; F500-F550 HydrophobicContact CZ-CZ 4.48Å; P530-F550 HydrophobicContact CB-CE1 3.8Å; P530-F550 HydrophobicContact CB-CZ 3.79Å; P531-F550 HydrophobicContact CG-CD1 4.49Å; P531-F550 HydrophobicContact CG-CE1 4.48Å; I548-F550 HydrophobicContact CG2-CE1 4.21Å; I548-F550 HydrophobicContact CG2-CE2 3.76Å; I548-F550 HydrophobicContact CG2-CZ 3.56Å; F550-N552 PolarHBondContact O-N 3.31Å; F550-A560 HydrophobicContact CE2-CB 4.17Å; F550-A560 HydrophobicContact CZ-CB 4.02Å
551	Q	74.7	Confident	84.5	Confident	170 Å²	170	64.3 Å²	64.3	79%	0.794	35%	0.354	S	S	*	.	S	Bend	trans	-72.1	68.7	176.9	-64.4	-176.9	-1.5	0	0	110.2
552	N	65	Low	84.8	Confident	94 Å²	94	60.5 Å²	60.5	50%	0.503	33%	0.334	S	S	.	.	S	Bend	trans	179.1	114.4	165	-86.2	-36.3	0	0	0	108.9	F550 N554 T555	F550-N552 PolarHBondContact O-N 3.31Å; N552-N554 PolarHBondContact O-N 3.35Å; N552-T555 PolarHBondContact O-N 2.66Å; N552-T555 VanDerWaalsContact O-N 3.14Å; N552-T555 PolarHBondContact O-OG1 3.24Å
553	S	56.3	Low	85.1	Confident	127 Å²	127	58.6 Å²	58.6	89%	0.888	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	0	-161	57.9	0	0	0	0	119.4
554	N	72	Confident	85.4	Confident	148 Å²	148	58.2 Å²	58.2	79%	0.791	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.3	2.7	179	-74.1	-20	0	0	0	114.5	N552	N552-N554 PolarHBondContact O-N 3.35Å
555	T	83.5	Confident	85.7	Confident	38 Å²	38	54.4 Å²	54.4	23%	0.233	30%	0.298	C	S	.	.			trans	-104	143.1	177.1	59.4	0	0	0	0	111.1	F500 N552	F500-T555 HydrophobicContact CD1-CG2 3.67Å; F500-T555 HydrophobicContact CD2-CG2 4.18Å; F500-T555 HydrophobicContact CE1-CG2 3.82Å; F500-T555 HydrophobicContact CE2-CG2 4.32Å; F500-T555 WeakPolarHBondContact CE2-OG1 3.34Å; F500-T555 HydrophobicContact CG-CG2 3.86Å; F500-T555 VanDerWaalsContact CZ-CB 3.44Å; F500-T555 HydrophobicContact CZ-CG2 4.14Å; F500-T555 WeakPolarHBondContact CZ-OG1 3.31Å; N552-T555 PolarHBondContact O-N 2.66Å; N552-T555 VanDerWaalsContact O-N 3.14Å; N552-T555 PolarHBondContact O-OG1 3.24Å
556	N	88.9	Confident	85.7	Confident	74 Å²	74	56.4 Å²	56.4	40%	0.396	31%	0.311	S	S	.	.			trans	-135.3	177.8	-179.5	61	32.1	0	0	0	110.1	W558 C559 A560	N556-W558 PolarHBondContact O-N 3.44Å; N556-W558 WeakPolarHBondContact OD1-CA 3.28Å; N556-W558 VanDerWaalsContact OD1-CB 3.27Å; N556-W558 WeakPolarHBondContact OD1-CB 3.39Å; N556-W558 PolarHBondContact OD1-N 3.29Å; N556-W558 VanDerWaalsContact OD1-N 3.08Å; N556-C559 PolarHBondContact O-N 2.74Å; N556-C559 VanDerWaalsContact O-N 3.13Å; N556-C559 PolarHBondContact OD1-N 3.34Å; N556-C559 PolarHBondContact OD1-SG 3.29Å; N556-C559 VanDerWaalsContact OD1-SG 3.38Å; N556-A560 PolarHBondContact O-N 2.71Å; N556-A560 VanDerWaalsContact O-N 3.11Å
557	L	92.1	Very high	85.9	Confident	8 Å²	8	52.7 Å²	52.7	4%	0.042	28%	0.284	C	S	.	.	H	α-helix	trans	-56.2	-37.5	-179.4	-178.5	68.5	0	0	0	112.2	P530 L545 I548 A560 L561 L574	P530-L557 HydrophobicContact CG-CD1 3.98Å; L545-L557 HydrophobicContact CB-CD2 3.89Å; L545-L557 HydrophobicContact CD1-CD2 4.05Å; L545-L557 HydrophobicContact CD2-CD2 3.79Å; L545-L557 HydrophobicContact CG-CD2 4.13Å; I548-L557 HydrophobicContact CB-CB 4.43Å; I548-L557 HydrophobicContact CD1-CD1 4.07Å; I548-L557 HydrophobicContact CD1-CD2 3.99Å; I548-L557 HydrophobicContact CD1-CG 4.48Å; I548-L557 HydrophobicContact CG2-CB 4.49Å; I548-L557 HydrophobicContact CG2-CD1 4.41Å; L557-A560 PolarHBondContact O-N 3.21Å; L557-L561 WeakPolarHBondContact O-CB 3.39Å; L557-L561 PolarHBondContact O-N 3.12Å; L557-L574 HydrophobicContact CD1-CD1 4.13Å; L557-L574 HydrophobicContact CD2-CD2 4.46Å
558	W	89.6	Confident	86.2	Confident	31 Å²	31	50 Å²	50	12%	0.117	27%	0.265	C	S	.	.	H	α-helix	trans	-60.2	-49.8	177.3	171.2	-109.9	0	0	0	111.4	N556 A560 L561 Y562 I588 K591 C592 E595	N556-W558 PolarHBondContact O-N 3.44Å; N556-W558 WeakPolarHBondContact OD1-CA 3.28Å; N556-W558 VanDerWaalsContact OD1-CB 3.27Å; N556-W558 WeakPolarHBondContact OD1-CB 3.39Å; N556-W558 PolarHBondContact OD1-N 3.29Å; N556-W558 VanDerWaalsContact OD1-N 3.08Å; W558-A560 VanDerWaalsContact C-N 3.29Å; W558-A560 PolarHBondContact O-N 2.97Å; W558-L561 PolarHBondContact O-N 3.4Å; W558-Y562 AromaticContact CZ2-CD2 3.98Å; W558-Y562 HydrophobicContact CZ2-CD2 3.98Å; W558-Y562 VanDerWaalsContact O-CB 3.29Å; W558-Y562 WeakPolarHBondContact O-CB 3.12Å; W558-Y562 PolarHBondContact O-N 3.27Å; W558-I588 HydrophobicContact CE3-CB 4.36Å; W558-I588 HydrophobicContact CE3-CG1 4.31Å; W558-I588 HydrophobicContact CE3-CG2 3.94Å; W558-I588 HydrophobicContact CZ3-CB 4.36Å; W558-I588 HydrophobicContact CZ3-CG2 3.69Å; W558-I588 WeakPolarHBondContact CZ3-O 3.34Å; W558-K591 HydrophobicContact CD2-CB 4.12Å; W558-K591 HydrophobicContact CD2-CD 3.87Å; W558-K591 HydrophobicContact CE3-CB 4.23Å; W558-K591 HydrophobicContact CE3-CD 4.42Å; W558-K591 HydrophobicContact CG-CD 4.15Å; W558-K591 VanDerWaalsContact CH2-C 3.46Å; W558-K591 HydrophobicContact CH2-CB 3.45Å; W558-K591 VanDerWaalsContact CH2-CB 3.45Å; W558-K591 HydrophobicContact CZ2-CB 3.25Å; W558-K591 HydrophobicContact CZ2-CD 4.36Å; W558-K591 HydrophobicContact CZ2-CG 4.39Å; W558-K591 HydrophobicContact CZ3-CB 3.91Å; W558-C592 HydrophobicContact CH2-CB 4.13Å; W558-C592 WeakPolarHBondContact CH2-SG 3.45Å; W558-C592 WeakPolarHBondContact CZ3-SG 3.06Å; W558-E595 PolarHBondContact NE1-OE2 3.47Å
559	C	90.2	Very high	86.1	Confident	43 Å²	43	56.6 Å²	56.6	29%	0.291	30%	0.3	S	S	.	.	H	α-helix	trans	-57.9	-42.8	176.5	-62.8	0	0	0	0	111.7	F500 N556 L563	F500-C559 HydrophobicContact CE1-CB 3.94Å; N556-C559 PolarHBondContact O-N 2.74Å; N556-C559 VanDerWaalsContact O-N 3.13Å; N556-C559 PolarHBondContact OD1-N 3.34Å; N556-C559 PolarHBondContact OD1-SG 3.29Å; N556-C559 VanDerWaalsContact OD1-SG 3.38Å; C559-L563 VanDerWaalsContact O-CG 3.28Å; C559-L563 WeakPolarHBondContact O-CG 3.42Å; C559-L563 PolarHBondContact O-N 2.82Å; C559-L563 VanDerWaalsContact O-N 3.15Å
560	A	93.8	Very high	86.3	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65.2	-46.4	180	0	0	0	0	0	111.4	Y499 F500 M528 F550 N556 L557 W558 L563 A564	Y499-A560 HydrophobicContact CD1-CB 4.4Å; Y499-A560 HydrophobicContact CE1-CB 4.08Å; Y499-A560 PolarHBondContact OH-O 3.48Å; F500-A560 HydrophobicContact CE1-CB 3.81Å; F500-A560 HydrophobicContact CZ-CB 3.78Å; M528-A560 VanDerWaalsContact CE-C 3.5Å; M528-A560 HydrophobicContact CE-CB 3.54Å; F550-A560 HydrophobicContact CE2-CB 4.17Å; F550-A560 HydrophobicContact CZ-CB 4.02Å; N556-A560 PolarHBondContact O-N 2.71Å; N556-A560 VanDerWaalsContact O-N 3.11Å; L557-A560 PolarHBondContact O-N 3.21Å; W558-A560 VanDerWaalsContact C-N 3.29Å; W558-A560 PolarHBondContact O-N 2.97Å; A560-L563 PolarHBondContact O-N 3.42Å; A560-A564 PolarHBondContact O-N 3.43Å; A560-A564 VanDerWaalsContact O-N 3.1Å
561	L	94	Very high	86.5	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65.8	-41.3	179.9	178.6	60.6	0	0	0	111.5	M528 L557 W558 L563 A564 L565 V572 L574 I588 F621	M528-L561 HydrophobicContact SD-CB 4.48Å; M528-L561 HydrophobicContact SD-CD1 4.05Å; L557-L561 WeakPolarHBondContact O-CB 3.39Å; L557-L561 PolarHBondContact O-N 3.12Å; W558-L561 PolarHBondContact O-N 3.4Å; L561-L563 PolarHBondContact O-N 2.92Å; L561-A564 PolarHBondContact O-N 3.46Å; L561-L565 HydrophobicContact CD1-CD1 4.1Å; L561-L565 HydrophobicContact CD1-CG 4.06Å; L561-L565 HydrophobicContact CG-CD1 3.83Å; L561-L565 HydrophobicContact CG-CG 4.28Å; L561-L565 WeakPolarHBondContact O-CB 3.36Å; L561-L565 VanDerWaalsContact O-CG 3.24Å; L561-L565 WeakPolarHBondContact O-CG 2.91Å; L561-L565 PolarHBondContact O-N 3.36Å; L561-V572 HydrophobicContact CD1-CB 4.36Å; L561-V572 HydrophobicContact CD1-CG1 3.85Å; L561-L574 HydrophobicContact CD2-CD2 4.36Å; L561-I588 HydrophobicContact CD2-CG2 3.63Å; L561-F621 HydrophobicContact CD1-CD2 4.33Å; L561-F621 HydrophobicContact CD1-CE2 3.94Å; L561-F621 HydrophobicContact CD1-CZ 4.19Å; L561-F621 HydrophobicContact CD2-CE1 4.24Å; L561-F621 HydrophobicContact CD2-CE2 4.25Å; L561-F621 HydrophobicContact CD2-CZ 3.71Å
562	Y	91.5	Very high	87.5	Confident	66 Å²	66	40.8 Å²	40.8	26%	0.259	23%	0.228	S	C	.	.	H	α-helix	trans	-56	-50.3	175.3	174.9	-91.6	0	0	0	111.3	W558 A564 L565 V566 E595 I596	W558-Y562 AromaticContact CZ2-CD2 3.98Å; W558-Y562 HydrophobicContact CZ2-CD2 3.98Å; W558-Y562 VanDerWaalsContact O-CB 3.29Å; W558-Y562 WeakPolarHBondContact O-CB 3.12Å; W558-Y562 PolarHBondContact O-N 3.27Å; Y562-A564 VanDerWaalsContact C-N 3.34Å; Y562-A564 PolarHBondContact O-N 2.73Å; Y562-L565 PolarHBondContact O-N 2.74Å; Y562-V566 HydrophobicContact CD1-CG2 4.28Å; Y562-V566 HydrophobicContact CE1-CG2 3.87Å; Y562-V566 HydrophobicContact CE2-CG2 4.27Å; Y562-V566 WeakPolarHBondContact O-CG2 3.12Å; Y562-V566 PolarHBondContact O-N 3.24Å; Y562-E595 HydrophobicContact CD2-CB 4.4Å; Y562-E595 HydrophobicContact CE2-CB 3.89Å; Y562-I596 HydrophobicContact CD2-CD1 3.92Å; Y562-I596 HydrophobicContact CD2-CG1 3.58Å; Y562-I596 HydrophobicContact CE2-CD1 4.3Å; Y562-I596 HydrophobicContact CE2-CG1 3.47Å; Y562-I596 VanDerWaalsContact CE2-CG1 3.47Å
563	L	92.6	Very high	89	Confident	4 Å²	4	36.3 Å²	36.3	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-60.9	-42.9	178.8	-68.2	169.6	0	0	0	111.5	Y499 F500 A503 W504 I507 C559 A560 L561 V566 L567	Y499-L563 HydrophobicContact CE1-CB 4.4Å; F500-L563 HydrophobicContact CD1-CD1 3.72Å; F500-L563 HydrophobicContact CE1-CD1 4.43Å; A503-L563 HydrophobicContact CB-CB 4.12Å; A503-L563 HydrophobicContact CB-CD1 4.04Å; A503-L563 HydrophobicContact CB-CG 4.46Å; W504-L563 HydrophobicContact CD2-CD2 4.39Å; W504-L563 HydrophobicContact CZ2-CD2 4.33Å; I507-L563 HydrophobicContact CD1-CD2 3.43Å; I507-L563 VanDerWaalsContact CD1-CD2 3.43Å; C559-L563 VanDerWaalsContact O-CG 3.28Å; C559-L563 WeakPolarHBondContact O-CG 3.42Å; C559-L563 PolarHBondContact O-N 2.82Å; C559-L563 VanDerWaalsContact O-N 3.15Å; A560-L563 PolarHBondContact O-N 3.42Å; L561-L563 PolarHBondContact O-N 2.92Å; L563-V566 PolarHBondContact O-N 3.21Å; L563-L567 WeakPolarHBondContact O-CB 3.31Å; L563-L567 WeakPolarHBondContact O-CG 3.31Å; L563-L567 PolarHBondContact O-N 2.88Å
564	A	94.3	Very high	91	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.9	-45.2	177.3	0	0	0	0	0	112	I448 Y499 M528 A560 L561 Y562 V566 L567 T568 V572	I448-A564 HydrophobicContact CD1-CB 3.77Å; Y499-A564 WeakPolarHBondContact OH-CA 3.44Å; Y499-A564 WeakPolarHBondContact OH-CB 3.26Å; Y499-A564 PolarHBondContact OH-N 3.04Å; M528-A564 HydrophobicContact CG-CB 4.23Å; M528-A564 HydrophobicContact SD-CB 3.44Å; M528-A564 WeakPolarHBondContact SD-CB 3.45Å; A560-A564 PolarHBondContact O-N 3.43Å; A560-A564 VanDerWaalsContact O-N 3.1Å; L561-A564 PolarHBondContact O-N 3.46Å; Y562-A564 VanDerWaalsContact C-N 3.34Å; Y562-A564 PolarHBondContact O-N 2.73Å; A564-V566 VanDerWaalsContact C-N 3.34Å; A564-V566 PolarHBondContact O-N 3.21Å; A564-L567 PolarHBondContact O-N 3.21Å; A564-T568 WeakPolarHBondContact O-CG2 3.4Å; A564-T568 PolarHBondContact O-N 2.99Å; A564-T568 PolarHBondContact O-OG1 3.48Å; A564-V572 HydrophobicContact CB-CG1 4.37Å; A564-V572 HydrophobicContact CB-CG2 3.81Å
565	L	92.2	Very high	92.1	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-62.1	-40.2	177.7	-71.2	166.8	0	0	0	111.7	L561 Y562 N569 G570 V572 C592 I596 F621	L561-L565 HydrophobicContact CD1-CD1 4.1Å; L561-L565 HydrophobicContact CD1-CG 4.06Å; L561-L565 HydrophobicContact CG-CD1 3.83Å; L561-L565 HydrophobicContact CG-CG 4.28Å; L561-L565 WeakPolarHBondContact O-CB 3.36Å; L561-L565 VanDerWaalsContact O-CG 3.24Å; L561-L565 WeakPolarHBondContact O-CG 2.91Å; L561-L565 PolarHBondContact O-N 3.36Å; Y562-L565 PolarHBondContact O-N 2.74Å; L565-N569 WeakPolarHBondContact O-CA 3.26Å; L565-N569 PolarHBondContact O-N 2.76Å; L565-N569 VanDerWaalsContact O-N 3.11Å; L565-G570 PolarHBondContact O-N 3.37Å; L565-V572 HydrophobicContact CD2-CB 4.11Å; L565-V572 HydrophobicContact CD2-CG2 3.73Å; L565-V572 HydrophobicContact CG-CG2 4.01Å; L565-C592 WeakPolarHBondContact CD1-SG 3.39Å; L565-I596 HydrophobicContact CB-CD1 3.68Å; L565-I596 HydrophobicContact CD1-CD1 3.59Å; L565-I596 HydrophobicContact CG-CD1 4.28Å; L565-F621 HydrophobicContact CD2-CB 3.89Å; L565-F621 HydrophobicContact CD2-CD1 4.41Å; L565-F621 HydrophobicContact CD2-CG 4.17Å
566	V	89.8	Confident	92.7	Very high	54 Å²	54	21.8 Å²	21.8	33%	0.327	11%	0.114	S	C	.	.	H	α-helix	trans	-64.6	-46.8	175.4	170.4	0	0	0	0	110.9	I507 Y562 L563 A564 T568 I596	I507-V566 HydrophobicContact CD1-CB 4.46Å; I507-V566 HydrophobicContact CD1-CG1 4Å; I507-V566 HydrophobicContact CG1-CG1 4.27Å; Y562-V566 HydrophobicContact CD1-CG2 4.28Å; Y562-V566 HydrophobicContact CE1-CG2 3.87Å; Y562-V566 HydrophobicContact CE2-CG2 4.27Å; Y562-V566 WeakPolarHBondContact O-CG2 3.12Å; Y562-V566 PolarHBondContact O-N 3.24Å; L563-V566 PolarHBondContact O-N 3.21Å; A564-V566 VanDerWaalsContact C-N 3.34Å; A564-V566 PolarHBondContact O-N 3.21Å; V566-T568 VanDerWaalsContact C-N 3.3Å; V566-T568 PolarHBondContact O-N 3.36Å; V566-I596 HydrophobicContact CG2-CG2 4.5Å
567	L	92.1	Very high	92.9	Very high	8 Å²	8	18.2 Å²	18.2	4%	0.042	10%	0.095	C	C	.	.	H	α-helix	trans	-64.4	-32.5	-178.4	-73.7	169.5	0	0	0	113.2	L446 W502 A503 Q506 I507 I510 Y523 L563 A564	L446-L567 HydrophobicContact CD1-CB 4.41Å; L446-L567 HydrophobicContact CD1-CD1 4.37Å; W502-L567 HydrophobicContact CZ3-CD1 3.96Å; A503-L567 HydrophobicContact CB-CD1 3.88Å; Q506-L567 HydrophobicContact CB-CD2 3.76Å; I507-L567 HydrophobicContact CG1-CD2 3.82Å; I507-L567 HydrophobicContact CG1-CG 4.26Å; I510-L567 HydrophobicContact CD1-CD2 4.46Å; Y523-L567 HydrophobicContact CD2-CB 3.99Å; Y523-L567 HydrophobicContact CD2-CD2 4.06Å; Y523-L567 HydrophobicContact CE2-CD2 3.82Å; L563-L567 WeakPolarHBondContact O-CB 3.31Å; L563-L567 WeakPolarHBondContact O-CG 3.31Å; L563-L567 PolarHBondContact O-N 2.88Å; A564-L567 PolarHBondContact O-N 3.21Å
568	T	92	Very high	92.8	Very high	2 Å²	2	21 Å²	21	1%	0.012	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	10.4	-173.9	68.5	0	0	0	0	114.8	L446 Y523 A526 A564 V566 G570 N571	L446-T568 HydrophobicContact CD1-CG2 4.26Å; Y523-T568 VanDerWaalsContact O-CA 3.3Å; Y523-T568 WeakPolarHBondContact O-CA 3.2Å; A526-T568 HydrophobicContact CB-CG2 3.7Å; A564-T568 WeakPolarHBondContact O-CG2 3.4Å; A564-T568 PolarHBondContact O-N 2.99Å; A564-T568 PolarHBondContact O-OG1 3.48Å; V566-T568 VanDerWaalsContact C-N 3.3Å; V566-T568 PolarHBondContact O-N 3.36Å; T568-G570 VanDerWaalsContact C-N 3.27Å; T568-G570 PolarHBondContact O-N 3.11Å; T568-N571 WeakPolarHBondContact CB-O 3.38Å; T568-N571 PolarHBondContact O-N 2.77Å; T568-N571 PolarHBondContact O-ND2 3.5Å; T568-N571 VanDerWaalsContact OG1-C 3.3Å; T568-N571 PolarHBondContact OG1-N 3.26Å; T568-N571 PolarHBondContact OG1-O 2.87Å
569	N	88.3	Confident	92.7	Very high	140 Å²	140	20.9 Å²	20.9	75%	0.749	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	45.6	-174.5	-165.7	39.5	0	0	0	112.4	L565	L565-N569 WeakPolarHBondContact O-CA 3.26Å; L565-N569 PolarHBondContact O-N 2.76Å; L565-N569 VanDerWaalsContact O-N 3.11Å
570	G	89.4	Confident	92.6	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.01	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	90	-2.7	174.6	0	0	0	0	0	116.1	L565 T568 V572 F621 G622	L565-G570 PolarHBondContact O-N 3.37Å; T568-G570 VanDerWaalsContact C-N 3.27Å; T568-G570 PolarHBondContact O-N 3.11Å; G570-V572 PolarHBondContact O-N 3.29Å; G570-F621 CarbonylContact O-C 3.59Å; G570-F621 VanDerWaalsContact O-C 3.24Å; G570-F621 WeakPolarHBondContact O-CB 3.39Å; G570-G622 WeakPolarHBondContact O-CA 3.15Å; G570-G622 PolarHBondContact O-N 2.99Å
571	N	93.2	Very high	92.2	Very high	18 Å²	18	20 Å²	20	10%	0.096	10%	0.099	C	C	.	.			trans	-92.6	87.5	-174.6	-58	-54.7	0	0	0	111	F435 T524 A525 A526 T568 A623 L624	F435-N571 HydrophobicContact CE2-CB 4.32Å; F435-N571 HydrophobicContact CZ-CB 4.48Å; T524-N571 WeakPolarHBondContact O-CB 3.43Å; T524-N571 PolarHBondContact O-ND2 3.33Å; A525-N571 CarbonylContact C-O 3.55Å; A525-N571 VanDerWaalsContact CA-O 3.27Å; A525-N571 WeakPolarHBondContact CA-O 3.04Å; A525-N571 HydrophobicContact CB-CB 4.28Å; A526-N571 PolarHBondContact N-O 3.04Å; T568-N571 WeakPolarHBondContact CB-O 3.38Å; T568-N571 PolarHBondContact O-N 2.77Å; T568-N571 PolarHBondContact O-ND2 3.5Å; T568-N571 VanDerWaalsContact OG1-C 3.3Å; T568-N571 PolarHBondContact OG1-N 3.26Å; T568-N571 PolarHBondContact OG1-O 2.87Å; N571-A623 VanDerWaalsContact OD1-CB 3.26Å; N571-A623 WeakPolarHBondContact OD1-CB 3.34Å; N571-A623 PolarHBondContact OD1-N 3.01Å; N571-L624 HydrophobicContact CB-CD1 4.37Å; N571-L624 HydrophobicContact CB-CG 4.22Å
572	V	96	Very high	91.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	140.8	-178.2	-179.3	0	0	0	0	110.7	A526 M528 L561 A564 L565 G570 F621	A526-V572 HydrophobicContact CB-CG2 4.41Å; A526-V572 CarbonylContact O-C 3.46Å; A526-V572 WeakPolarHBondContact O-CA 3.29Å; M528-V572 HydrophobicContact CG-CG1 4.14Å; M528-V572 HydrophobicContact SD-CG1 3.86Å; L561-V572 HydrophobicContact CD1-CB 4.36Å; L561-V572 HydrophobicContact CD1-CG1 3.85Å; A564-V572 HydrophobicContact CB-CG1 4.37Å; A564-V572 HydrophobicContact CB-CG2 3.81Å; L565-V572 HydrophobicContact CD2-CB 4.11Å; L565-V572 HydrophobicContact CD2-CG2 3.73Å; L565-V572 HydrophobicContact CG-CG2 4.01Å; G570-V572 PolarHBondContact O-N 3.29Å; V572-F621 HydrophobicContact CB-CB 4.35Å; V572-F621 HydrophobicContact CB-CD2 4.14Å; V572-F621 HydrophobicContact CG1-CD2 4.41Å; V572-F621 WeakPolarHBondContact O-CD2 3.41Å; V572-F621 PolarHBondContact O-N 3.38Å
573	A	97.4	Very high	91.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	116.8	166.1	0	0	0	0	0	108.4	A526 L527 M528 T618 V619 Y620 L624	A526-A573 PolarHBondContact O-N 3.19Å; L527-A573 CarbonylContact C-O 3.55Å; L527-A573 VanDerWaalsContact CA-O 3.26Å; L527-A573 WeakPolarHBondContact CA-O 3.28Å; L527-A573 HydrophobicContact CD1-CB 3.64Å; M528-A573 PolarHBondContact N-O 3.21Å; A573-T618 HydrophobicContact CB-CG2 4.34Å; A573-V619 CarbonylContact C-O 3.56Å; A573-V619 WeakPolarHBondContact CA-O 3.39Å; A573-Y620 HydrophobicContact CB-CD1 3.63Å; A573-Y620 HydrophobicContact CB-CE1 3.61Å; A573-L624 HydrophobicContact CB-CD1 4.34Å
574	L	97.3	Very high	90.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	117	-176.9	177.3	60.2	0	0	0	109.9	M528 P530 L557 L561 L576 F585 T618 V619 F621	M528-L574 HydrophobicContact CB-CD1 3.75Å; P530-L574 HydrophobicContact CG-CD1 4.29Å; L557-L574 HydrophobicContact CD1-CD1 4.13Å; L557-L574 HydrophobicContact CD2-CD2 4.46Å; L561-L574 HydrophobicContact CD2-CD2 4.36Å; L574-L576 HydrophobicContact CD1-CD2 4.25Å; L574-L576 HydrophobicContact CD1-CG 4.39Å; L574-L576 HydrophobicContact CD2-CD1 3.78Å; L574-L576 HydrophobicContact CD2-CD2 4.46Å; L574-L576 HydrophobicContact CD2-CG 4.29Å; L574-L576 HydrophobicContact CG-CD1 3.83Å; L574-L576 HydrophobicContact CG-CD2 4.17Å; L574-L576 HydrophobicContact CG-CG 3.85Å; L574-F585 HydrophobicContact CD2-CE1 4.15Å; L574-F585 HydrophobicContact CD2-CZ 4.2Å; L574-T618 CarbonylContact O-C 3.59Å; L574-T618 WeakPolarHBondContact O-CA 3.38Å; L574-V619 HydrophobicContact CB-CB 4.37Å; L574-V619 PolarHBondContact N-O 3.44Å; L574-V619 PolarHBondContact O-N 2.83Å; L574-F621 HydrophobicContact CB-CE2 3.96Å; L574-F621 HydrophobicContact CD2-CE2 4.37Å
575	F	97	Very high	90.2	Very high	7 Å²	7	20.3 Å²	20.3	3%	0.031	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	123.2	-178	-170.7	-120.4	0	0	0	111.1	T419 I423 M528 W532 A616	T419-F575 HydrophobicContact CG2-CE1 4.22Å; T419-F575 HydrophobicContact CG2-CZ 4.01Å; I423-F575 HydrophobicContact CG2-CE2 3.85Å; I423-F575 HydrophobicContact CG2-CZ 4.25Å; M528-F575 PolarHBondContact O-N 3.3Å; W532-F575 AromaticContact CH2-CD1 3.78Å; W532-F575 HydrophobicContact CH2-CD1 3.78Å; W532-F575 AromaticContact CH2-CE1 3.44Å; W532-F575 HydrophobicContact CH2-CE1 3.44Å; W532-F575 VanDerWaalsContact CH2-CE1 3.44Å; W532-F575 HydrophobicContact CH2-CZ 4.03Å; W532-F575 AromaticContact CZ2-CD1 3.41Å; W532-F575 HydrophobicContact CZ2-CD1 3.41Å; W532-F575 VanDerWaalsContact CZ2-CD1 3.41Å; W532-F575 AromaticContact CZ2-CE1 3.62Å; W532-F575 HydrophobicContact CZ2-CE1 3.62Å; W532-F575 HydrophobicContact CZ2-CG 4.09Å; W532-F575 HydrophobicContact CZ2-CZ 4.45Å; W532-F575 PolarHBondContact NE1-O 2.83Å; F575-A616 HydrophobicContact CD2-CB 4.09Å; F575-A616 HydrophobicContact CE1-CB 4.17Å; F575-A616 HydrophobicContact CE2-CB 3.22Å; F575-A616 HydrophobicContact CZ-CB 3.25Å
576	L	95.4	Very high	89.7	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	163.9	-166.8	-69.3	171.9	0	0	0	113	L545 I548 L574 T580 F585 A616 L617 V619	L545-L576 HydrophobicContact CD2-CD1 3.97Å; L545-L576 HydrophobicContact CD2-CD2 4.1Å; I548-L576 HydrophobicContact CD1-CD2 3.7Å; L574-L576 HydrophobicContact CD1-CD2 4.25Å; L574-L576 HydrophobicContact CD1-CG 4.39Å; L574-L576 HydrophobicContact CD2-CD1 3.78Å; L574-L576 HydrophobicContact CD2-CD2 4.46Å; L574-L576 HydrophobicContact CD2-CG 4.29Å; L574-L576 HydrophobicContact CG-CD1 3.83Å; L574-L576 HydrophobicContact CG-CD2 4.17Å; L574-L576 HydrophobicContact CG-CG 3.85Å; L576-T580 HydrophobicContact CD1-CG2 4.17Å; L576-F585 HydrophobicContact CD1-CE2 4.11Å; L576-F585 HydrophobicContact CD1-CZ 3.53Å; L576-A616 WeakPolarHBondContact O-CB 3.47Å; L576-L617 HydrophobicContact CB-CB 4.49Å; L576-L617 PolarHBondContact N-O 2.62Å; L576-L617 PolarHBondContact O-N 3.31Å; L576-V619 HydrophobicContact CD1-CG2 4.14Å
577	P	93.8	Very high	89.2	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.5	142.1	170.9	-30.5	40	0	0	0	112.9	W532 Y537 F543 N579 T580	W532-P577 HydrophobicContact CB-CG 3.93Å; W532-P577 HydrophobicContact CD2-CG 3.57Å; W532-P577 HydrophobicContact CE3-CB 4.48Å; W532-P577 HydrophobicContact CE3-CG 3.81Å; W532-P577 HydrophobicContact CG-CG 3.62Å; Y537-P577 HydrophobicContact CD2-CB 3.58Å; Y537-P577 HydrophobicContact CD2-CG 4.02Å; Y537-P577 HydrophobicContact CE2-CB 3.75Å; Y537-P577 HydrophobicContact CE2-CG 4.45Å; Y537-P577 HydrophobicContact CG-CB 4.3Å; Y537-P577 HydrophobicContact CG-CG 4.26Å; F543-P577 HydrophobicContact CB-CB 4.09Å; F543-P577 HydrophobicContact CB-CG 4.45Å; F543-P577 HydrophobicContact CD1-CB 4.19Å; F543-P577 HydrophobicContact CD1-CG 3.72Å; F543-P577 HydrophobicContact CD2-CB 4.26Å; F543-P577 HydrophobicContact CD2-CG 3.86Å; F543-P577 HydrophobicContact CE1-CG 3.82Å; F543-P577 HydrophobicContact CE2-CG 3.94Å; F543-P577 HydrophobicContact CG-CB 3.92Å; F543-P577 HydrophobicContact CG-CG 3.74Å; F543-P577 HydrophobicContact CZ-CG 3.91Å; P577-N579 VanDerWaalsContact CB-OD1 3.25Å; P577-N579 WeakPolarHBondContact CB-OD1 3.24Å; P577-N579 PolarHBondContact O-N 2.92Å; P577-N579 VanDerWaalsContact O-N 3.12Å; P577-T580 WeakPolarHBondContact O-CB 3.32Å; P577-T580 PolarHBondContact O-N 3.14Å; P577-T580 PolarHBondContact O-OG1 3.5Å
578	R	88	Confident	88.8	Confident	67 Å²	67	26.9 Å²	26.9	25%	0.253	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-20.9	178.1	60.4	177.1	-177.1	-94.9	0.6	115	Y537 L538 L607 S614	Y537-R578 PolarHBondContact OH-NH1 3.14Å; L538-R578 VanDerWaalsContact CD2-CZ 3.46Å; R578-L607 HydrophobicContact CB-CD1 4.46Å; R578-S614 WeakPolarHBondContact CD-O 3.29Å; R578-S614 WeakPolarHBondContact CD-OG 3.44Å
579	N	88	Confident	88.2	Confident	28 Å²	28	26.9 Å²	26.9	15%	0.15	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	12.1	179.4	59.2	-32	0	0	0	112.7	Y537 H540 S542 F543 P577 N581	Y537-N579 WeakPolarHBondContact CD2-OD1 3.27Å; Y537-N579 PolarHBondContact O-ND2 3.27Å; H540-N579 PolarHBondContact O-ND2 2.97Å; S542-N579 CarbonylContact C-O 3.5Å; S542-N579 VanDerWaalsContact CA-O 3.31Å; S542-N579 WeakPolarHBondContact CA-O 3.36Å; S542-N579 PolarHBondContact OG-O 3.26Å; F543-N579 PolarHBondContact N-O 3.27Å; P577-N579 VanDerWaalsContact CB-OD1 3.25Å; P577-N579 WeakPolarHBondContact CB-OD1 3.24Å; P577-N579 PolarHBondContact O-N 2.92Å; P577-N579 VanDerWaalsContact O-N 3.12Å; N579-N581 PolarHBondContact O-N 3.03Å
580	T	88.9	Confident	87.8	Confident	5 Å²	5	22.2 Å²	22.2	3%	0.031	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-55.6	133.4	176.5	-62.3	0	0	0	0	111.9	L545 L576 P577 I582 F585 L617	L545-T580 HydrophobicContact CD2-CG2 3.57Å; L545-T580 HydrophobicContact CG-CG2 4.17Å; L576-T580 HydrophobicContact CD1-CG2 4.17Å; P577-T580 WeakPolarHBondContact O-CB 3.32Å; P577-T580 PolarHBondContact O-N 3.14Å; P577-T580 PolarHBondContact O-OG1 3.5Å; T580-I582 PolarHBondContact O-N 3.32Å; T580-F585 HydrophobicContact CG2-CE2 4.01Å; T580-L617 HydrophobicContact CG2-CD2 4.31Å
581	N	84.6	Confident	87.4	Confident	18 Å²	18	25.1 Å²	25.1	10%	0.096	12%	0.124	C	C	.	.			trans	-70.5	114.3	171.7	-170.7	4.5	0	0	0	110.7	S542 F543 N579 A583 D584	S542-N581 WeakPolarHBondContact OG-CB 3.47Å; F543-N581 PolarHBondContact O-N 3.42Å; N579-N581 PolarHBondContact O-N 3.03Å; N581-A583 PolarHBondContact O-N 2.87Å; N581-A583 WeakPolarHBondContact OD1-CB 3.2Å; N581-A583 PolarHBondContact OD1-N 3.31Å; N581-A583 VanDerWaalsContact OD1-N 3.09Å; N581-D584 PolarHBondContact ND2-OD1 2.83Å; N581-D584 WeakPolarHBondContact O-CB 3.35Å; N581-D584 PolarHBondContact O-N 3.43Å
582	I	83.6	Confident	86.7	Confident	19 Å²	19	24.2 Å²	24.2	10%	0.097	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-25.6	179.2	-64.3	-173.1	0	0	0	111.6	F26 F38 T580 D584 F585 F605 L617	F26-I582 HydrophobicContact CE1-CD1 3.78Å; F26-I582 HydrophobicContact CE1-CG2 4.18Å; F26-I582 HydrophobicContact CZ-CG2 4.26Å; F38-I582 HydrophobicContact CD1-CD1 3.64Å; F38-I582 HydrophobicContact CD1-CG1 4.1Å; F38-I582 HydrophobicContact CD2-CD1 3.83Å; F38-I582 HydrophobicContact CE1-CD1 3.36Å; F38-I582 HydrophobicContact CE1-CG1 4.11Å; F38-I582 HydrophobicContact CE2-CD1 3.57Å; F38-I582 HydrophobicContact CG-CD1 3.88Å; F38-I582 HydrophobicContact CZ-CD1 3.33Å; T580-I582 PolarHBondContact O-N 3.32Å; I582-D584 PolarHBondContact O-N 3.19Å; I582-F585 WeakPolarHBondContact O-CB 3.43Å; I582-F585 PolarHBondContact O-N 2.85Å; I582-F605 HydrophobicContact CD1-CB 4.41Å; I582-F605 HydrophobicContact CD1-CD1 4.14Å; I582-F605 HydrophobicContact CD1-CG 4.12Å; I582-F605 HydrophobicContact CG1-CD1 4.3Å; I582-F605 HydrophobicContact CG1-CE1 4.38Å; I582-F605 HydrophobicContact CG2-CD1 4.31Å; I582-F605 HydrophobicContact CG2-CD2 4.07Å; I582-F605 HydrophobicContact CG2-CE1 3.89Å; I582-F605 HydrophobicContact CG2-CE2 3.54Å; I582-F605 HydrophobicContact CG2-CG 4.43Å; I582-F605 HydrophobicContact CG2-CZ 3.5Å; I582-L617 HydrophobicContact CG1-CD2 4.4Å
583	A	81.4	Confident	85.7	Confident	21 Å²	21	24.5 Å²	24.5	17%	0.174	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-27.4	178.2	0	0	0	0	0	112.8	N581 F585 L586	N581-A583 PolarHBondContact O-N 2.87Å; N581-A583 WeakPolarHBondContact OD1-CB 3.2Å; N581-A583 PolarHBondContact OD1-N 3.31Å; N581-A583 VanDerWaalsContact OD1-N 3.09Å; A583-F585 PolarHBondContact O-N 3.37Å; A583-F585 VanDerWaalsContact O-N 3.15Å; A583-L586 WeakPolarHBondContact O-CB 3.14Å; A583-L586 PolarHBondContact O-N 3.01Å
584	D	81.4	Confident	84.9	Confident	38 Å²	38	30.9 Å²	30.9	20%	0.203	15%	0.145	C	C	.	.	H	α-helix	trans	-61.8	-23.3	177.8	-60.5	-0.8	0	0	0	111.6	L545 N581 I582 L586 I588	L545-D584 HydrophobicContact CD1-CB 3.59Å; L545-D584 HydrophobicContact CG-CB 4Å; L545-D584 PolarHBondContact N-OD2 3.3Å; N581-D584 PolarHBondContact ND2-OD1 2.83Å; N581-D584 WeakPolarHBondContact O-CB 3.35Å; N581-D584 PolarHBondContact O-N 3.43Å; I582-D584 PolarHBondContact O-N 3.19Å; D584-L586 VanDerWaalsContact C-N 3.29Å; D584-L586 PolarHBondContact O-N 2.89Å; D584-I588 PolarHBondContact O-N 3.4Å
585	F	85.4	Confident	84.1	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-75.5	-13.6	177.8	-73.9	-93.6	0	0	0	114.2	F24 L545 L574 L576 T580 I582 A583 I588 S589 F605 V619 F621	F24-F585 HydrophobicContact CE1-CB 4.37Å; L545-F585 HydrophobicContact CD1-CD2 4.22Å; L545-F585 HydrophobicContact CD1-CE2 3.75Å; L545-F585 HydrophobicContact CD1-CZ 4.02Å; L574-F585 HydrophobicContact CD2-CE1 4.15Å; L574-F585 HydrophobicContact CD2-CZ 4.2Å; L576-F585 HydrophobicContact CD1-CE2 4.11Å; L576-F585 HydrophobicContact CD1-CZ 3.53Å; T580-F585 HydrophobicContact CG2-CE2 4.01Å; I582-F585 WeakPolarHBondContact O-CB 3.43Å; I582-F585 PolarHBondContact O-N 2.85Å; A583-F585 PolarHBondContact O-N 3.37Å; A583-F585 VanDerWaalsContact O-N 3.15Å; F585-I588 HydrophobicContact CD1-CD1 4.12Å; F585-I588 HydrophobicContact CD1-CG2 4.46Å; F585-I588 HydrophobicContact CE1-CD1 4.23Å; F585-I588 HydrophobicContact CG-CD1 4.48Å; F585-S589 VanDerWaalsContact O-CB 3.26Å; F585-S589 WeakPolarHBondContact O-CB 3.23Å; F585-S589 PolarHBondContact O-N 2.92Å; F585-S589 PolarHBondContact O-OG 3.3Å; F585-F605 HydrophobicContact CB-CE1 4.33Å; F585-F605 HydrophobicContact CB-CZ 3.83Å; F585-F605 HydrophobicContact CD1-CE1 4.2Å; F585-F605 HydrophobicContact CD1-CZ 4.35Å; F585-F605 AromaticContact CD2-CE1 3.68Å; F585-F605 HydrophobicContact CD2-CE1 3.68Å; F585-F605 HydrophobicContact CD2-CZ 4.03Å; F585-F605 HydrophobicContact CE1-CE1 4.47Å; F585-F605 AromaticContact CE2-CE1 3.98Å; F585-F605 HydrophobicContact CE2-CE1 3.98Å; F585-F605 AromaticContact CG-CE1 3.79Å; F585-F605 HydrophobicContact CG-CE1 3.79Å; F585-F605 AromaticContact CG-CZ 3.8Å; F585-F605 HydrophobicContact CG-CZ 3.8Å; F585-F605 HydrophobicContact CZ-CE1 4.37Å; F585-V619 HydrophobicContact CD1-CG1 4.17Å; F585-V619 HydrophobicContact CE1-CB 4.17Å; F585-V619 HydrophobicContact CE1-CG1 3.77Å; F585-V619 HydrophobicContact CE1-CG2 4.08Å; F585-V619 HydrophobicContact CE2-CG2 4.24Å; F585-V619 HydrophobicContact CZ-CB 4.26Å; F585-V619 HydrophobicContact CZ-CG1 4.24Å; F585-V619 HydrophobicContact CZ-CG2 3.67Å; F585-F621 HydrophobicContact CD1-CZ 4.11Å; F585-F621 AromaticContact CE1-CZ 3.84Å; F585-F621 HydrophobicContact CE1-CZ 3.84Å
586	L	81.3	Confident	83	Confident	68 Å²	68	36.6 Å²	36.6	36%	0.356	17%	0.173	S	C	.	.	H	α-helix	trans	-63.2	-49.5	172	-69.7	170.1	0	0	0	110	F12 F24 A583 D584 I588 S589 I590	F12-L586 HydrophobicContact CD1-CD2 4.42Å; F24-L586 HydrophobicContact CE2-CD2 3.79Å; F24-L586 HydrophobicContact CZ-CD2 3.96Å; A583-L586 WeakPolarHBondContact O-CB 3.14Å; A583-L586 PolarHBondContact O-N 3.01Å; D584-L586 VanDerWaalsContact C-N 3.29Å; D584-L586 PolarHBondContact O-N 2.89Å; L586-I588 PolarHBondContact O-N 3.27Å; L586-S589 PolarHBondContact O-N 3.39Å; L586-S589 PolarHBondContact O-OG 3.36Å; L586-I590 WeakPolarHBondContact O-CG1 3.4Å; L586-I590 PolarHBondContact O-N 3.18Å; L586-I590 VanDerWaalsContact O-N 3.13Å
587	E	80	Confident	82	Confident	117 Å²	117	45.3 Å²	45.3	55%	0.547	21%	0.21	S	C	.	.	H	α-helix	trans	-63.8	-43.3	177.8	-169.6	-175.1	156.1	0	0	111.7	S589 I590 K591	E587-S589 VanDerWaalsContact C-N 3.31Å; E587-S589 PolarHBondContact O-N 3.44Å; E587-I590 PolarHBondContact O-N 2.78Å; E587-K591 WeakPolarHBondContact O-CG 3.5Å; E587-K591 PolarHBondContact O-N 3.22Å; E587-K591 WeakPolarHBondContact OE1-CE 3.28Å; E587-K591 IonicContact OE1-NZ 2.77Å; E587-K591 PolarHBondContact OE1-NZ 3.09Å
588	I	83.2	Confident	80.9	Confident	16 Å²	16	46.9 Å²	46.9	8%	0.082	22%	0.218	C	C	.	.	H	α-helix	trans	-58.2	-44.2	175.2	-66.9	176.4	0	0	0	110.6	L545 W558 L561 D584 F585 L586 I590 K591 C592	L545-I588 HydrophobicContact CD1-CD1 3.59Å; W558-I588 HydrophobicContact CE3-CB 4.36Å; W558-I588 HydrophobicContact CE3-CG1 4.31Å; W558-I588 HydrophobicContact CE3-CG2 3.94Å; W558-I588 HydrophobicContact CZ3-CB 4.36Å; W558-I588 HydrophobicContact CZ3-CG2 3.69Å; W558-I588 WeakPolarHBondContact CZ3-O 3.34Å; L561-I588 HydrophobicContact CD2-CG2 3.63Å; D584-I588 PolarHBondContact O-N 3.4Å; F585-I588 HydrophobicContact CD1-CD1 4.12Å; F585-I588 HydrophobicContact CD1-CG2 4.46Å; F585-I588 HydrophobicContact CE1-CD1 4.23Å; F585-I588 HydrophobicContact CG-CD1 4.48Å; L586-I588 PolarHBondContact O-N 3.27Å; I588-I590 VanDerWaalsContact C-N 3.35Å; I588-I590 PolarHBondContact O-N 3.35Å; I588-K591 PolarHBondContact O-N 3.46Å; I588-C592 PolarHBondContact O-N 3.27Å; I588-C592 PolarHBondContact O-SG 2.84Å
589	S	79.9	Confident	80	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.007	25%	0.245	C	C	.	.	H	α-helix	trans	-63.6	-39.5	-179.5	73.7	0	0	0	0	112.4	F585 L586 E587 C592 I593	F585-S589 VanDerWaalsContact O-CB 3.26Å; F585-S589 WeakPolarHBondContact O-CB 3.23Å; F585-S589 PolarHBondContact O-N 2.92Å; F585-S589 PolarHBondContact O-OG 3.3Å; L586-S589 PolarHBondContact O-N 3.39Å; L586-S589 PolarHBondContact O-OG 3.36Å; E587-S589 VanDerWaalsContact C-N 3.31Å; E587-S589 PolarHBondContact O-N 3.44Å; S589-C592 PolarHBondContact O-N 3.3Å; S589-I593 WeakPolarHBondContact O-CG1 3.23Å; S589-I593 PolarHBondContact O-N 2.79Å; S589-I593 VanDerWaalsContact O-N 3.07Å
590	I	78.9	Confident	79.2	Confident	43 Å²	43	52 Å²	52	22%	0.221	26%	0.255	C	S	.	.	H	α-helix	trans	-62.3	-48.3	175.4	-66	164.8	0	0	0	110.3	P14 L586 E587 I588 I593 R594	P14-I590 HydrophobicContact CB-CD1 3.63Å; P14-I590 HydrophobicContact CB-CG1 3.37Å; P14-I590 HydrophobicContact CG-CD1 4.37Å; P14-I590 HydrophobicContact CG-CG1 3.56Å; L586-I590 WeakPolarHBondContact O-CG1 3.4Å; L586-I590 PolarHBondContact O-N 3.18Å; L586-I590 VanDerWaalsContact O-N 3.13Å; E587-I590 PolarHBondContact O-N 2.78Å; I588-I590 VanDerWaalsContact C-N 3.35Å; I588-I590 PolarHBondContact O-N 3.35Å; I590-I593 PolarHBondContact O-N 2.94Å; I590-R594 HydrophobicContact CG2-CG 4.49Å; I590-R594 WeakPolarHBondContact O-CB 3.44Å; I590-R594 WeakPolarHBondContact O-CG 3.46Å; I590-R594 PolarHBondContact O-N 3.38Å
591	K	81.8	Confident	78.7	Confident	61 Å²	61	51.8 Å²	51.8	27%	0.265	25%	0.253	S	S	.	.	H	α-helix	trans	-64.1	-41.3	179.4	-66.1	179.8	-178.9	167.4	0	111.4	W558 E587 I588 I593 R594 E595	W558-K591 HydrophobicContact CD2-CB 4.12Å; W558-K591 HydrophobicContact CD2-CD 3.87Å; W558-K591 HydrophobicContact CE3-CB 4.23Å; W558-K591 HydrophobicContact CE3-CD 4.42Å; W558-K591 HydrophobicContact CG-CD 4.15Å; W558-K591 VanDerWaalsContact CH2-C 3.46Å; W558-K591 HydrophobicContact CH2-CB 3.45Å; W558-K591 VanDerWaalsContact CH2-CB 3.45Å; W558-K591 HydrophobicContact CZ2-CB 3.25Å; W558-K591 HydrophobicContact CZ2-CD 4.36Å; W558-K591 HydrophobicContact CZ2-CG 4.39Å; W558-K591 HydrophobicContact CZ3-CB 3.91Å; E587-K591 WeakPolarHBondContact O-CG 3.5Å; E587-K591 PolarHBondContact O-N 3.22Å; E587-K591 WeakPolarHBondContact OE1-CE 3.28Å; E587-K591 IonicContact OE1-NZ 2.77Å; E587-K591 PolarHBondContact OE1-NZ 3.09Å; I588-K591 PolarHBondContact O-N 3.46Å; K591-I593 PolarHBondContact O-N 3.18Å; K591-R594 PolarHBondContact O-N 3.35Å; K591-E595 WeakPolarHBondContact O-CB 3.46Å; K591-E595 WeakPolarHBondContact O-CG 3.35Å; K591-E595 PolarHBondContact O-N 3.41Å
592	C	77.5	Confident	78.7	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-57.4	-50.7	175.8	-73.7	0	0	0	0	111.9	W558 L565 I588 S589 R594 I596 L601	W558-C592 HydrophobicContact CH2-CB 4.13Å; W558-C592 WeakPolarHBondContact CH2-SG 3.45Å; W558-C592 WeakPolarHBondContact CZ3-SG 3.06Å; L565-C592 WeakPolarHBondContact CD1-SG 3.39Å; I588-C592 PolarHBondContact O-N 3.27Å; I588-C592 PolarHBondContact O-SG 2.84Å; S589-C592 PolarHBondContact O-N 3.3Å; C592-R594 PolarHBondContact O-N 3.15Å; C592-I596 HydrophobicContact CB-CD1 4.2Å; C592-I596 WeakPolarHBondContact O-CA 3.43Å; C592-I596 WeakPolarHBondContact O-CB 3.4Å; C592-I596 WeakPolarHBondContact O-CG1 3.39Å; C592-I596 PolarHBondContact O-N 2.92Å; C592-L601 HydrophobicContact CB-CD2 3.49Å; C592-L601 VanDerWaalsContact CB-CD2 3.49Å
593	I	75.3	Confident	79	Confident	5 Å²	5	52 Å²	52	3%	0.026	26%	0.255	C	S	.	.	H	α-helix	trans	-62.7	-46.8	-177.8	-71.8	167.1	0	0	0	110.6	V18 I20 V22 S589 I590 K591 K597	V18-I593 HydrophobicContact CG1-CG2 3.98Å; I20-I593 HydrophobicContact CB-CD1 4.33Å; I20-I593 HydrophobicContact CB-CG2 3.84Å; I20-I593 HydrophobicContact CD1-CG2 3.35Å; I20-I593 HydrophobicContact CG1-CG2 4.16Å; I20-I593 HydrophobicContact CG2-CD1 3.74Å; I20-I593 HydrophobicContact CG2-CG1 3.98Å; I20-I593 HydrophobicContact CG2-CG2 3.77Å; V22-I593 HydrophobicContact CG2-CD1 3.35Å; S589-I593 WeakPolarHBondContact O-CG1 3.23Å; S589-I593 PolarHBondContact O-N 2.79Å; S589-I593 VanDerWaalsContact O-N 3.07Å; I590-I593 PolarHBondContact O-N 2.94Å; K591-I593 PolarHBondContact O-N 3.18Å; I593-K597 PolarHBondContact O-N 2.96Å
594	R	81.5	Confident	79.4	Confident	134 Å²	134	51 Å²	51	51%	0.506	25%	0.247	S	C	.	.	H	α-helix	trans	-69.7	-42.2	-177	-72.4	-178.2	170.1	174.1	-1.9	113.1	D15 I590 K591 C592	D15-R594 IonicContact OD2-CZ 3.39Å; D15-R594 IonicContact OD2-NH2 3.15Å; D15-R594 PolarHBondContact OD2-NH2 2.95Å; I590-R594 HydrophobicContact CG2-CG 4.49Å; I590-R594 WeakPolarHBondContact O-CB 3.44Å; I590-R594 WeakPolarHBondContact O-CG 3.46Å; I590-R594 PolarHBondContact O-N 3.38Å; K591-R594 PolarHBondContact O-N 3.35Å; C592-R594 PolarHBondContact O-N 3.15Å
595	E	80.3	Confident	79.7	Confident	94 Å²	94	49.4 Å²	49.4	44%	0.439	24%	0.238	S	C	.	.	H	α-helix	trans	-93.6	-30.7	-169.8	-61.8	178.5	-158.3	0	0	113.3	W558 Y562 K591	W558-E595 PolarHBondContact NE1-OE2 3.47Å; Y562-E595 HydrophobicContact CD2-CB 4.4Å; Y562-E595 HydrophobicContact CE2-CB 3.89Å; K591-E595 WeakPolarHBondContact O-CB 3.46Å; K591-E595 WeakPolarHBondContact O-CG 3.35Å; K591-E595 PolarHBondContact O-N 3.41Å
596	I	74.2	Confident	79.9	Confident	34 Å²	34	49.5 Å²	49.5	17%	0.174	24%	0.238	C	C	.	.	H	α-helix	trans	-94.2	-10.9	-178.8	-50.5	173.3	0	0	0	111.2	Y562 L565 V566 C592 M598	Y562-I596 HydrophobicContact CD2-CD1 3.92Å; Y562-I596 HydrophobicContact CD2-CG1 3.58Å; Y562-I596 HydrophobicContact CE2-CD1 4.3Å; Y562-I596 HydrophobicContact CE2-CG1 3.47Å; Y562-I596 VanDerWaalsContact CE2-CG1 3.47Å; L565-I596 HydrophobicContact CB-CD1 3.68Å; L565-I596 HydrophobicContact CD1-CD1 3.59Å; L565-I596 HydrophobicContact CG-CD1 4.28Å; V566-I596 HydrophobicContact CG2-CG2 4.5Å; C592-I596 HydrophobicContact CB-CD1 4.2Å; C592-I596 WeakPolarHBondContact O-CA 3.43Å; C592-I596 WeakPolarHBondContact O-CB 3.4Å; C592-I596 WeakPolarHBondContact O-CG1 3.39Å; C592-I596 PolarHBondContact O-N 2.92Å; I596-M598 VanDerWaalsContact C-N 3.28Å; I596-M598 HydrophobicContact CB-CG 4.03Å; I596-M598 HydrophobicContact CB-SD 4.46Å; I596-M598 HydrophobicContact CG2-CG 3.69Å; I596-M598 HydrophobicContact CG2-SD 4.05Å; I596-M598 PolarHBondContact O-N 3.38Å
597	K	74.2	Confident	80.1	Confident	182 Å²	182	47.4 Å²	47.4	79%	0.791	23%	0.227	S	C	*	.			trans	56	40	-177.3	-55.6	-179.5	179.2	178	0	112.9	I593	I593-K597 PolarHBondContact O-N 2.96Å
598	M	69.3	Low	80.2	Confident	33 Å²	33	42 Å²	42	16%	0.163	20%	0.202	C	C	.	.			trans	-80.8	134.9	174.9	-63.5	-176.7	72	0	0	110.7	I596 S600 L601	I596-M598 VanDerWaalsContact C-N 3.28Å; I596-M598 HydrophobicContact CB-CG 4.03Å; I596-M598 HydrophobicContact CB-SD 4.46Å; I596-M598 HydrophobicContact CG2-CG 3.69Å; I596-M598 HydrophobicContact CG2-SD 4.05Å; I596-M598 PolarHBondContact O-N 3.38Å; M598-S600 PolarHBondContact O-N 3.02Å; M598-L601 HydrophobicContact CE-CD1 3.86Å; M598-L601 HydrophobicContact SD-CD1 3.98Å
599	D	69.2	Low	79.8	Confident	151 Å²	151	43.1 Å²	43.1	81%	0.807	21%	0.208	S	C	*	.	S	Bend	trans	-65.1	-27.1	177.9	-66.9	-25.7	0	0	0	113.1	I20	I20-D599 VanDerWaalsContact CG2-O 3.25Å; I20-D599 WeakPolarHBondContact CG2-O 3.4Å
600	S	71.6	Confident	79.2	Confident	52 Å²	52	44 Å²	44	36%	0.364	21%	0.212	S	C	.	.			trans	-161.2	153.9	171.3	59.8	0	0	0	0	109.5	M598	M598-S600 PolarHBondContact O-N 3.02Å
601	L	77.6	Confident	78.5	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	115.5	172.7	-175.7	64.6	0	0	0	109.2	C592 M598 I603 F621	C592-L601 HydrophobicContact CB-CD2 3.49Å; C592-L601 VanDerWaalsContact CB-CD2 3.49Å; M598-L601 HydrophobicContact CE-CD1 3.86Å; M598-L601 HydrophobicContact SD-CD1 3.98Å; L601-I603 HydrophobicContact CD2-CD1 4.04Å; L601-I603 HydrophobicContact CD2-CG1 4.18Å; L601-I603 HydrophobicContact CG-CD1 4.38Å; L601-I603 HydrophobicContact CG-CG1 4.01Å; L601-F621 HydrophobicContact CD1-CB 4.36Å; L601-F621 HydrophobicContact CD1-CD1 4.21Å; L601-F621 HydrophobicContact CD2-CD1 4.09Å; L601-F621 HydrophobicContact CD2-CE1 4.48Å; L601-F621 HydrophobicContact CG-CD1 4.37Å
602	N	86	Confident	77.6	Confident	41 Å²	41	45.1 Å²	45.1	22%	0.219	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	131.5	170.4	-63.3	-41.9	0	0	0	108.8	N23 F621 G622 A625	N23-N602 WeakPolarHBondContact CB-OD1 3.36Å; N23-N602 PolarHBondContact ND2-OD1 2.98Å; N602-F621 WeakPolarHBondContact O-CA 2.93Å; N602-G622 PolarHBondContact O-N 3.44Å; N602-G622 VanDerWaalsContact O-N 3.12Å; N602-A625 HydrophobicContact CB-CB 3.62Å
603	I	89.9	Confident	77.2	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	122.5	177.8	-56	-180	0	0	0	108	V22 N23 F24 L25 L601 F605 V619 Y620 F621	V22-I603 HydrophobicContact CG1-CD1 4.36Å; N23-I603 PolarHBondContact O-N 3.31Å; N23-I603 VanDerWaalsContact O-O 3.12Å; F24-I603 WeakPolarHBondContact CA-O 3.49Å; F24-I603 HydrophobicContact CD1-CB 3.9Å; F24-I603 HydrophobicContact CD1-CG2 4.14Å; F24-I603 HydrophobicContact CE1-CB 4.06Å; F24-I603 HydrophobicContact CE1-CD1 3.91Å; F24-I603 HydrophobicContact CE1-CG1 4.49Å; F24-I603 HydrophobicContact CE1-CG2 4.2Å; L25-I603 PolarHBondContact N-O 2.99Å; L601-I603 HydrophobicContact CD2-CD1 4.04Å; L601-I603 HydrophobicContact CD2-CG1 4.18Å; L601-I603 HydrophobicContact CG-CD1 4.38Å; L601-I603 HydrophobicContact CG-CG1 4.01Å; I603-F605 HydrophobicContact CG2-CE1 4.27Å; I603-F605 HydrophobicContact CG2-CE2 4.07Å; I603-F605 HydrophobicContact CG2-CZ 3.79Å; I603-V619 HydrophobicContact CG2-CG1 3.48Å; I603-V619 VanDerWaalsContact CG2-CG1 3.48Å; I603-Y620 CarbonylContact C-O 3.55Å; I603-Y620 WeakPolarHBondContact CA-O 3.25Å; I603-F621 HydrophobicContact CD1-CD1 4.24Å; I603-F621 HydrophobicContact CD1-CE1 3.86Å; I603-F621 HydrophobicContact CG1-CD1 3.88Å; I603-F621 HydrophobicContact CG1-CE1 3.95Å; I603-F621 HydrophobicContact CG2-CE1 4.36Å
604	E	89.1	Confident	77.3	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	127.2	175.4	178.5	-176.1	161.4	0	0	111.1	L25 T27 R430 V619 Y620 A625 N626	L25-E604 HydrophobicContact CB-CB 4.01Å; L25-E604 HydrophobicContact CB-CG 3.97Å; L25-E604 HydrophobicContact CD2-CB 4.38Å; L25-E604 HydrophobicContact CD2-CG 3.8Å; L25-E604 HydrophobicContact CG-CG 4.26Å; L25-E604 CarbonylContact O-C 3.49Å; L25-E604 VanDerWaalsContact O-CA 3.25Å; L25-E604 WeakPolarHBondContact O-CA 3.31Å; T27-E604 WeakPolarHBondContact CB-OE1 3.38Å; T27-E604 PolarHBondContact OG1-OE1 3.49Å; R430-E604 IonicContact CZ-OE1 3.78Å; R430-E604 IonicContact CZ-OE2 2.81Å; R430-E604 IonicContact NH1-OE1 3.03Å; R430-E604 PolarHBondContact NH1-OE1 3.3Å; R430-E604 IonicContact NH1-OE2 3.59Å; R430-E604 IonicContact NH2-OE1 2.78Å; R430-E604 PolarHBondContact NH2-OE1 2.75Å; R430-E604 VanDerWaalsContact NH2-OE1 3.15Å; R430-E604 IonicContact NH2-OE2 2.85Å; R430-E604 PolarHBondContact NH2-OE2 3.29Å; E604-V619 CarbonylContact O-C 3.6Å; E604-V619 WeakPolarHBondContact O-CA 3.41Å; E604-Y620 PolarHBondContact N-O 3.43Å; E604-Y620 PolarHBondContact O-N 2.78Å; E604-A625 HydrophobicContact CB-CB 3.92Å; E604-N626 PolarHBondContact OE2-N 3.04Å
605	F	88.7	Confident	77.4	Confident	4 Å²	4	48.7 Å²	48.7	2%	0.018	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	127.7	173.8	-60	-79.2	0	0	0	110.9	F24 L25 F26 T27 I582 F585 I603 L617 V619	F24-F605 HydrophobicContact CB-CE2 4.48Å; F24-F605 HydrophobicContact CD1-CD2 4.32Å; F24-F605 AromaticContact CD1-CE2 3.33Å; F24-F605 HydrophobicContact CD1-CE2 3.33Å; F24-F605 AromaticContact CD1-CZ 3.95Å; F24-F605 HydrophobicContact CD1-CZ 3.95Å; F24-F605 AromaticContact CE1-CE2 3.84Å; F24-F605 HydrophobicContact CE1-CE2 3.84Å; F24-F605 AromaticContact CE1-CZ 3.98Å; F24-F605 HydrophobicContact CE1-CZ 3.98Å; F24-F605 HydrophobicContact CG-CE2 4.23Å; L25-F605 PolarHBondContact O-N 3.24Å; F26-F605 HydrophobicContact CD1-CB 3.96Å; F26-F605 HydrophobicContact CD1-CD2 4.02Å; F26-F605 HydrophobicContact CD1-CG 4.37Å; F26-F605 HydrophobicContact CE1-CB 4.17Å; F26-F605 AromaticContact CE1-CD2 3.55Å; F26-F605 HydrophobicContact CE1-CD2 3.55Å; F26-F605 HydrophobicContact CE1-CE2 4.24Å; F26-F605 HydrophobicContact CE1-CG 4.1Å; F26-F605 AromaticContact CZ-CD2 3.84Å; F26-F605 HydrophobicContact CZ-CD2 3.84Å; F26-F605 HydrophobicContact CZ-CE2 4.18Å; T27-F605 PolarHBondContact N-O 3.34Å; I582-F605 HydrophobicContact CD1-CB 4.41Å; I582-F605 HydrophobicContact CD1-CD1 4.14Å; I582-F605 HydrophobicContact CD1-CG 4.12Å; I582-F605 HydrophobicContact CG1-CD1 4.3Å; I582-F605 HydrophobicContact CG1-CE1 4.38Å; I582-F605 HydrophobicContact CG2-CD1 4.31Å; I582-F605 HydrophobicContact CG2-CD2 4.07Å; I582-F605 HydrophobicContact CG2-CE1 3.89Å; I582-F605 HydrophobicContact CG2-CE2 3.54Å; I582-F605 HydrophobicContact CG2-CG 4.43Å; I582-F605 HydrophobicContact CG2-CZ 3.5Å; F585-F605 HydrophobicContact CB-CE1 4.33Å; F585-F605 HydrophobicContact CB-CZ 3.83Å; F585-F605 HydrophobicContact CD1-CE1 4.2Å; F585-F605 HydrophobicContact CD1-CZ 4.35Å; F585-F605 AromaticContact CD2-CE1 3.68Å; F585-F605 HydrophobicContact CD2-CE1 3.68Å; F585-F605 HydrophobicContact CD2-CZ 4.03Å; F585-F605 HydrophobicContact CE1-CE1 4.47Å; F585-F605 AromaticContact CE2-CE1 3.98Å; F585-F605 HydrophobicContact CE2-CE1 3.98Å; F585-F605 AromaticContact CG-CE1 3.79Å; F585-F605 HydrophobicContact CG-CE1 3.79Å; F585-F605 AromaticContact CG-CZ 3.8Å; F585-F605 HydrophobicContact CG-CZ 3.8Å; F585-F605 HydrophobicContact CZ-CE1 4.37Å; I603-F605 HydrophobicContact CG2-CE1 4.27Å; I603-F605 HydrophobicContact CG2-CE2 4.07Å; I603-F605 HydrophobicContact CG2-CZ 3.79Å; F605-L617 HydrophobicContact CB-CD1 4.29Å; F605-L617 HydrophobicContact CD1-CD2 4.25Å; F605-V619 HydrophobicContact CD1-CB 4.3Å; F605-V619 HydrophobicContact CD1-CG1 3.88Å; F605-V619 HydrophobicContact CD1-CG2 3.62Å; F605-V619 HydrophobicContact CE1-CB 4.36Å; F605-V619 HydrophobicContact CE1-CG1 3.65Å; F605-V619 HydrophobicContact CE1-CG2 3.79Å; F605-V619 HydrophobicContact CZ-CG1 4.37Å
606	E	87.7	Confident	77.9	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.009	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	117.7	176.3	-174.2	-178.7	-100.1	0	0	111	H426 R430 T618 Y620	H426-E606 IonicContact CD2-OE1 3.11Å; H426-E606 IonicContact CD2-OE2 3.73Å; H426-E606 PolarHBondContact CD2-OE2 2.84Å; H426-E606 IonicContact CE1-OE1 3.32Å; H426-E606 IonicContact NE2-OE1 3.98Å; H426-E606 PolarHBondContact NE2-OE1 3.44Å; H426-E606 IonicContact NE2-OE2 2.64Å; H426-E606 PolarHBondContact NE2-OE2 2.96Å; R430-E606 WeakPolarHBondContact CD-OE1 3.41Å; R430-E606 IonicContact CZ-OE1 3.92Å; R430-E606 IonicContact NH1-OE1 2.82Å; R430-E606 PolarHBondContact NH1-OE1 3.26Å; E606-T618 PolarHBondContact N-O 2.85Å; E606-T618 PolarHBondContact O-N 3.47Å; E606-Y620 HydrophobicContact CB-CD2 4.43Å; E606-Y620 HydrophobicContact CB-CE2 3.96Å; E606-Y620 PolarHBondContact OE2-OH 3.12Å
607	L	86.9	Confident	78.7	Confident	23 Å²	23	42.9 Å²	42.9	12%	0.12	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	117.5	173.9	-176.2	67.3	0	0	0	110.2	F35 R578 L609	F35-L607 HydrophobicContact CD2-CD2 4.28Å; F35-L607 HydrophobicContact CE2-CD2 4.31Å; R578-L607 HydrophobicContact CB-CD1 4.46Å; L607-L609 HydrophobicContact CD2-CD2 3.93Å; L607-L609 HydrophobicContact CG-CD2 4Å
608	N	80.7	Confident	79.7	Confident	5 Å²	5	34.2 Å²	34.2	3%	0.027	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	123.1	179.2	-55.8	-73.6	0	0	0	110.8	I423 K615 A616 T618	I423-N608 HydrophobicContact CD1-CB 3.74Å; I423-N608 HydrophobicContact CG1-CB 4.12Å; I423-N608 HydrophobicContact CG2-CB 4.31Å; N608-K615 PolarHBondContact O-N 2.87Å; N608-A616 HydrophobicContact CB-CB 4.47Å; N608-A616 WeakPolarHBondContact CB-O 3.39Å; N608-A616 PolarHBondContact N-O 3.29Å; N608-A616 PolarHBondContact ND2-O 2.92Å; N608-A616 VanDerWaalsContact ND2-O 3.14Å; N608-T618 PolarHBondContact ND2-N 3.26Å; N608-T618 PolarHBondContact ND2-OG1 3.44Å; N608-T618 PolarHBondContact OD1-OG1 2.95Å
609	L	75.3	Confident	80.9	Confident	38 Å²	38	32.6 Å²	32.6	20%	0.199	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	137.4	179.3	-55.3	-177.9	0	0	0	110.5	L607 K613	L607-L609 HydrophobicContact CD2-CD2 3.93Å; L607-L609 HydrophobicContact CG-CD2 4Å; L609-K613 WeakPolarHBondContact CA-O 3.14Å
610	I	68.7	Low	82	Confident	20 Å²	20	25.5 Å²	25.5	10%	0.103	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	123	165.9	-61.3	179.3	0	0	0	107.5	P420 V422 I423 F612 K613 K615	P420-I610 HydrophobicContact CB-CD1 3.54Å; P420-I610 HydrophobicContact CG-CD1 3.81Å; V422-I610 HydrophobicContact CG2-CD1 3.79Å; V422-I610 HydrophobicContact CG2-CG1 4.04Å; I423-I610 HydrophobicContact CD1-CD1 3.8Å; I423-I610 HydrophobicContact CD1-CG1 4.09Å; I423-I610 HydrophobicContact CG1-CD1 4.13Å; I423-I610 HydrophobicContact CG1-CG1 4.29Å; I610-F612 VanDerWaalsContact C-N 3.29Å; I610-F612 PolarHBondContact O-N 3.08Å; I610-K613 PolarHBondContact N-O 3.4Å; I610-K613 WeakPolarHBondContact O-CB 3Å; I610-K613 PolarHBondContact O-N 3.41Å; I610-K615 HydrophobicContact CB-CG 3.91Å; I610-K615 HydrophobicContact CD1-CG 3.94Å; I610-K615 HydrophobicContact CG1-CG 3.83Å
611	N	62.7	Low	83	Confident	49 Å²	49	23 Å²	23	26%	0.262	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	51.8	-174.7	-61.9	-14.9	0	0	0	111.5	N360 R399 K613	N360-N611 PolarHBondContact ND2-ND2 3.04Å; N360-N611 PolarHBondContact ND2-OD1 3.1Å; N360-N611 PolarHBondContact OD1-ND2 3.49Å; R399-N611 PolarHBondContact NH2-ND2 3.24Å; N611-K613 PolarHBondContact O-N 2.98Å
612	F	64.4	Low	83.6	Confident	79 Å²	79	23.5 Å²	23.5	35%	0.346	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	-0.2	-178.8	-53.4	-95.3	0	0	0	115.8	M31 Y134 I610	M31-F612 HydrophobicContact CB-CD1 3.71Å; M31-F612 HydrophobicContact CB-CE1 3.29Å; M31-F612 HydrophobicContact CB-CE2 4.25Å; M31-F612 HydrophobicContact CB-CG 4.34Å; M31-F612 HydrophobicContact CB-CZ 3.58Å; M31-F612 WeakPolarHBondContact O-CD1 3.33Å; M31-F612 VanDerWaalsContact O-CE1 3.28Å; M31-F612 WeakPolarHBondContact O-CE1 3.42Å; M31-F612 HydrophobicContact SD-CE2 4.49Å; M31-F612 HydrophobicContact SD-CZ 4.5Å; Y134-F612 HydrophobicContact CE1-CB 4.21Å; Y134-F612 HydrophobicContact CE1-CD1 4.22Å; Y134-F612 HydrophobicContact CE1-CG 4.29Å; I610-F612 VanDerWaalsContact C-N 3.29Å; I610-F612 PolarHBondContact O-N 3.08Å
613	K	67.6	Low	83.8	Confident	127 Å²	127	22.9 Å²	22.9	55%	0.552	12%	0.12	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95	126.6	177.3	-174.3	170.4	-178.3	169.3	0	110.2	L609 I610 N611 K615	L609-K613 WeakPolarHBondContact CA-O 3.14Å; I610-K613 PolarHBondContact N-O 3.4Å; I610-K613 WeakPolarHBondContact O-CB 3Å; I610-K613 PolarHBondContact O-N 3.41Å; N611-K613 PolarHBondContact O-N 2.98Å; K613-K615 PolarHBondContact O-N 3.46Å
614	S	78.1	Confident	83.9	Confident	42 Å²	42	23 Å²	23	29%	0.294	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	128	170.2	55.6	0	0	0	0	110.8	R578	R578-S614 WeakPolarHBondContact CD-O 3.29Å; R578-S614 WeakPolarHBondContact CD-OG 3.44Å
615	K	82.7	Confident	83.8	Confident	44 Å²	44	23.2 Å²	23.2	19%	0.191	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-50.4	-179.5	-70.6	-65.4	-170.5	158.7	0	112	I423 N608 I610 K613	I423-K615 HydrophobicContact CD1-CB 3.95Å; I423-K615 HydrophobicContact CD1-CG 4.5Å; N608-K615 PolarHBondContact O-N 2.87Å; I610-K615 HydrophobicContact CB-CG 3.91Å; I610-K615 HydrophobicContact CD1-CG 3.94Å; I610-K615 HydrophobicContact CG1-CG 3.83Å; K613-K615 PolarHBondContact O-N 3.46Å
616	A	91	Very high	83.1	Confident	2 Å²	2	24.4 Å²	24.4	2%	0.017	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	171.8	-174.8	0	0	0	0	0	111	W532 F575 L576 N608	W532-A616 HydrophobicContact CH2-CB 4.04Å; F575-A616 HydrophobicContact CD2-CB 4.09Å; F575-A616 HydrophobicContact CE1-CB 4.17Å; F575-A616 HydrophobicContact CE2-CB 3.22Å; F575-A616 HydrophobicContact CZ-CB 3.25Å; L576-A616 WeakPolarHBondContact O-CB 3.47Å; N608-A616 HydrophobicContact CB-CB 4.47Å; N608-A616 WeakPolarHBondContact CB-O 3.39Å; N608-A616 PolarHBondContact N-O 3.29Å; N608-A616 PolarHBondContact ND2-O 2.92Å; N608-A616 VanDerWaalsContact ND2-O 3.14Å
617	L	91.9	Very high	82.2	Confident	4 Å²	4	24.3 Å²	24.3	2%	0.021	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	132.6	171.9	-178.5	71.2	0	0	0	108.6	L576 T580 I582 F605 V619	L576-L617 HydrophobicContact CB-CB 4.49Å; L576-L617 PolarHBondContact N-O 2.62Å; L576-L617 PolarHBondContact O-N 3.31Å; T580-L617 HydrophobicContact CG2-CD2 4.31Å; I582-L617 HydrophobicContact CG1-CD2 4.4Å; F605-L617 HydrophobicContact CB-CD1 4.29Å; F605-L617 HydrophobicContact CD1-CD2 4.25Å; L617-V619 HydrophobicContact CD2-CG2 4.02Å; L617-V619 HydrophobicContact CG-CG2 4.11Å
618	T	94.3	Very high	80.9	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	128.6	167.3	-44.6	0	0	0	0	108.9	Q427 A573 L574 E606 N608 Y620	Q427-T618 HydrophobicContact CG-CG2 4.36Å; Q427-T618 PolarHBondContact NE2-OG1 2.79Å; A573-T618 HydrophobicContact CB-CG2 4.34Å; L574-T618 CarbonylContact O-C 3.59Å; L574-T618 WeakPolarHBondContact O-CA 3.38Å; E606-T618 PolarHBondContact N-O 2.85Å; E606-T618 PolarHBondContact O-N 3.47Å; N608-T618 PolarHBondContact ND2-N 3.26Å; N608-T618 PolarHBondContact ND2-OG1 3.44Å; N608-T618 PolarHBondContact OD1-OG1 2.95Å; T618-Y620 HydrophobicContact CG2-CD2 4.2Å; T618-Y620 HydrophobicContact CG2-CE1 3.96Å; T618-Y620 HydrophobicContact CG2-CE2 3.56Å; T618-Y620 VanDerWaalsContact CG2-CZ 3.41Å
619	V	94.3	Very high	79.6	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	116.8	177.6	-169.6	0	0	0	0	109.2	A573 L574 L576 F585 I603 E604 F605 L617 F621	A573-V619 CarbonylContact C-O 3.56Å; A573-V619 WeakPolarHBondContact CA-O 3.39Å; L574-V619 HydrophobicContact CB-CB 4.37Å; L574-V619 PolarHBondContact N-O 3.44Å; L574-V619 PolarHBondContact O-N 2.83Å; L576-V619 HydrophobicContact CD1-CG2 4.14Å; F585-V619 HydrophobicContact CD1-CG1 4.17Å; F585-V619 HydrophobicContact CE1-CB 4.17Å; F585-V619 HydrophobicContact CE1-CG1 3.77Å; F585-V619 HydrophobicContact CE1-CG2 4.08Å; F585-V619 HydrophobicContact CE2-CG2 4.24Å; F585-V619 HydrophobicContact CZ-CB 4.26Å; F585-V619 HydrophobicContact CZ-CG1 4.24Å; F585-V619 HydrophobicContact CZ-CG2 3.67Å; I603-V619 HydrophobicContact CG2-CG1 3.48Å; I603-V619 VanDerWaalsContact CG2-CG1 3.48Å; E604-V619 CarbonylContact O-C 3.6Å; E604-V619 WeakPolarHBondContact O-CA 3.41Å; F605-V619 HydrophobicContact CD1-CB 4.3Å; F605-V619 HydrophobicContact CD1-CG1 3.88Å; F605-V619 HydrophobicContact CD1-CG2 3.62Å; F605-V619 HydrophobicContact CE1-CB 4.36Å; F605-V619 HydrophobicContact CE1-CG1 3.65Å; F605-V619 HydrophobicContact CE1-CG2 3.79Å; F605-V619 HydrophobicContact CZ-CG1 4.37Å; L617-V619 HydrophobicContact CD2-CG2 4.02Å; L617-V619 HydrophobicContact CG-CG2 4.11Å; V619-F621 HydrophobicContact CB-CE2 4.2Å; V619-F621 HydrophobicContact CG1-CE2 3.86Å; V619-F621 HydrophobicContact CG1-CZ 3.95Å
620	Y	93.9	Very high	78.2	Confident	1 Å²	1	32.7 Å²	32.7	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	133.6	-178.6	-63.5	-84.7	0	0	0	110.9	Q427 R430 A573 I603 E604 E606 T618 L624	Q427-Y620 WeakPolarHBondContact CG-OH 3.43Å; R430-Y620 HydrophobicContact CB-CE1 4.33Å; R430-Y620 WeakPolarHBondContact CD-OH 2.87Å; R430-Y620 VanDerWaalsContact CZ-CD2 3.42Å; R430-Y620 VanDerWaalsContact NH1-CE2 3.34Å; A573-Y620 HydrophobicContact CB-CD1 3.63Å; A573-Y620 HydrophobicContact CB-CE1 3.61Å; I603-Y620 CarbonylContact C-O 3.55Å; I603-Y620 WeakPolarHBondContact CA-O 3.25Å; E604-Y620 PolarHBondContact N-O 3.43Å; E604-Y620 PolarHBondContact O-N 2.78Å; E606-Y620 HydrophobicContact CB-CD2 4.43Å; E606-Y620 HydrophobicContact CB-CE2 3.96Å; E606-Y620 PolarHBondContact OE2-OH 3.12Å; T618-Y620 HydrophobicContact CG2-CD2 4.2Å; T618-Y620 HydrophobicContact CG2-CE1 3.96Å; T618-Y620 HydrophobicContact CG2-CE2 3.56Å; T618-Y620 VanDerWaalsContact CG2-CZ 3.41Å; Y620-L624 HydrophobicContact CD1-CB 3.94Å; Y620-L624 HydrophobicContact CG-CB 4.46Å
621	F	92.3	Very high	76.8	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	155.9	179.7	-63.6	-93.2	0	0	0	111.5	L561 L565 G570 V572 L574 F585 L601 N602 I603 V619 A623 L624	L561-F621 HydrophobicContact CD1-CD2 4.33Å; L561-F621 HydrophobicContact CD1-CE2 3.94Å; L561-F621 HydrophobicContact CD1-CZ 4.19Å; L561-F621 HydrophobicContact CD2-CE1 4.24Å; L561-F621 HydrophobicContact CD2-CE2 4.25Å; L561-F621 HydrophobicContact CD2-CZ 3.71Å; L565-F621 HydrophobicContact CD2-CB 3.89Å; L565-F621 HydrophobicContact CD2-CD1 4.41Å; L565-F621 HydrophobicContact CD2-CG 4.17Å; G570-F621 CarbonylContact O-C 3.59Å; G570-F621 VanDerWaalsContact O-C 3.24Å; G570-F621 WeakPolarHBondContact O-CB 3.39Å; V572-F621 HydrophobicContact CB-CB 4.35Å; V572-F621 HydrophobicContact CB-CD2 4.14Å; V572-F621 HydrophobicContact CG1-CD2 4.41Å; V572-F621 WeakPolarHBondContact O-CD2 3.41Å; V572-F621 PolarHBondContact O-N 3.38Å; L574-F621 HydrophobicContact CB-CE2 3.96Å; L574-F621 HydrophobicContact CD2-CE2 4.37Å; F585-F621 HydrophobicContact CD1-CZ 4.11Å; F585-F621 AromaticContact CE1-CZ 3.84Å; F585-F621 HydrophobicContact CE1-CZ 3.84Å; L601-F621 HydrophobicContact CD1-CB 4.36Å; L601-F621 HydrophobicContact CD1-CD1 4.21Å; L601-F621 HydrophobicContact CD2-CD1 4.09Å; L601-F621 HydrophobicContact CD2-CE1 4.48Å; L601-F621 HydrophobicContact CG-CD1 4.37Å; N602-F621 WeakPolarHBondContact O-CA 2.93Å; I603-F621 HydrophobicContact CD1-CD1 4.24Å; I603-F621 HydrophobicContact CD1-CE1 3.86Å; I603-F621 HydrophobicContact CG1-CD1 3.88Å; I603-F621 HydrophobicContact CG1-CE1 3.95Å; I603-F621 HydrophobicContact CG2-CE1 4.36Å; V619-F621 HydrophobicContact CB-CE2 4.2Å; V619-F621 HydrophobicContact CG1-CE2 3.86Å; V619-F621 HydrophobicContact CG1-CZ 3.95Å; F621-A623 PolarHBondContact O-N 2.93Å; F621-L624 WeakPolarHBondContact O-CB 3.19Å; F621-L624 PolarHBondContact O-N 3.2Å
622	G	89.7	Confident	75.4	Confident	12 Å²	12	38 Å²	38	12%	0.124	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	65.7	-132.2	171	0	0	0	0	0	112.8	G570 N602 L624 A625	G570-G622 WeakPolarHBondContact O-CA 3.15Å; G570-G622 PolarHBondContact O-N 2.99Å; N602-G622 PolarHBondContact O-N 3.44Å; N602-G622 VanDerWaalsContact O-N 3.12Å; G622-L624 PolarHBondContact O-N 2.89Å; G622-A625 WeakPolarHBondContact O-CB 3.33Å; G622-A625 PolarHBondContact O-N 3.45Å
623	A	90.3	Very high	73.9	Confident	28 Å²	28	41.3 Å²	41.3	23%	0.231	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-73.2	-14.6	-179.7	0	0	0	0	0	113.5	V434 F435 N571 F621 A625	V434-A623 HydrophobicContact CG1-CB 3.97Å; F435-A623 HydrophobicContact CZ-CB 4.39Å; N571-A623 VanDerWaalsContact OD1-CB 3.26Å; N571-A623 WeakPolarHBondContact OD1-CB 3.34Å; N571-A623 PolarHBondContact OD1-N 3.01Å; F621-A623 PolarHBondContact O-N 2.93Å; A623-A625 VanDerWaalsContact C-N 3.32Å
624	L	92.2	Very high	72.2	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.01	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-75.4	-25.7	175.9	-56.6	-178.6	0	0	0	112	R430 I431 V434 F435 A525 N571 A573 Y620 F621 G622 A627	R430-L624 PolarHBondContact NH2-O 2.86Å; I431-L624 HydrophobicContact CB-CD2 4.43Å; I431-L624 HydrophobicContact CD1-CD1 4.46Å; I431-L624 HydrophobicContact CG1-CD1 4.26Å; I431-L624 HydrophobicContact CG1-CD2 4.1Å; I431-L624 HydrophobicContact CG2-CD2 4.38Å; V434-L624 HydrophobicContact CB-CD2 4.2Å; V434-L624 HydrophobicContact CG1-CD2 4.43Å; V434-L624 HydrophobicContact CG2-CD2 4.17Å; F435-L624 HydrophobicContact CD2-CD2 4.18Å; F435-L624 HydrophobicContact CE2-CD2 3.81Å; A525-L624 HydrophobicContact CB-CD1 4.17Å; N571-L624 HydrophobicContact CB-CD1 4.37Å; N571-L624 HydrophobicContact CB-CG 4.22Å; A573-L624 HydrophobicContact CB-CD1 4.34Å; Y620-L624 HydrophobicContact CD1-CB 3.94Å; Y620-L624 HydrophobicContact CG-CB 4.46Å; F621-L624 WeakPolarHBondContact O-CB 3.19Å; F621-L624 PolarHBondContact O-N 3.2Å; G622-L624 PolarHBondContact O-N 2.89Å; L624-A627 PolarHBondContact O-N 2.78Å
625	A	87.7	Confident	69.9	Low	5 Å²	5	48 Å²	48	4%	0.041	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	134.4	165.6	0	0	0	0	0	109	N602 E604 G622 A623	N602-A625 HydrophobicContact CB-CB 3.62Å; E604-A625 HydrophobicContact CB-CB 3.92Å; G622-A625 WeakPolarHBondContact O-CB 3.33Å; G622-A625 PolarHBondContact O-N 3.45Å; A623-A625 VanDerWaalsContact C-N 3.32Å
626	N	73.9	Confident	67.2	Low	30 Å²	30	50.1 Å²	50.1	16%	0.16	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	13.6	-175.1	-57.1	-65.5	0	0	0	116.6	L25 E604 N628 R629	L25-N626 WeakPolarHBondContact CD2-OD1 3.47Å; E604-N626 PolarHBondContact OE2-N 3.04Å; N626-N628 PolarHBondContact O-N 3.01Å; N626-R629 HydrophobicContact CB-CG 4.49Å; N626-R629 WeakPolarHBondContact O-CB 3.37Å; N626-R629 PolarHBondContact O-N 2.9Å
627	A	68.1	Low	64.2	Low	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-51.3	-31	176.9	0	0	0	0	0	113.3	V434 L624 R629	V434-A627 HydrophobicContact CG2-CB 3.46Å; V434-A627 VanDerWaalsContact CG2-CB 3.46Å; L624-A627 PolarHBondContact O-N 2.78Å; A627-R629 VanDerWaalsContact C-N 3.32Å; A627-R629 PolarHBondContact O-N 2.9Å
628	N	59.6	Low	61.3	Low	18 Å²	18	66.6 Å²	66.6	10%	0.096	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-76.9	-8.8	179.3	-69	-37.2	0	0	0	115.1	R5 R433 N626	R5-N628 PolarHBondContact NH1-O 3.07Å; R5-N628 PolarHBondContact NH2-O 2.92Å; R433-N628 PolarHBondContact NH1-OD1 3.1Å; N626-N628 PolarHBondContact O-N 3.01Å
629	R	53.5	Low	58.4	Low	79 Å²	79	70 Å²	70	30%	0.298	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-88.6	-25.8	176.8	-72	-173.1	173.3	-161.7	-2.2	113.1	E9 N626 A627 T631 T632	E9-R629 VanDerWaalsContact CD-CZ 3.44Å; E9-R629 IonicContact OE1-CZ 3.67Å; E9-R629 IonicContact OE1-NH1 3.09Å; E9-R629 PolarHBondContact OE1-NH1 3.06Å; E9-R629 IonicContact OE1-NH2 3.9Å; E9-R629 PolarHBondContact OE1-NH2 3.15Å; E9-R629 VanDerWaalsContact OE1-NH2 3.08Å; E9-R629 IonicContact OE2-CZ 2.67Å; E9-R629 IonicContact OE2-NH1 3.44Å; E9-R629 PolarHBondContact OE2-NH1 3.16Å; E9-R629 VanDerWaalsContact OE2-NH1 3.11Å; E9-R629 IonicContact OE2-NH2 2.84Å; E9-R629 PolarHBondContact OE2-NH2 2.84Å; N626-R629 HydrophobicContact CB-CG 4.49Å; N626-R629 WeakPolarHBondContact O-CB 3.37Å; N626-R629 PolarHBondContact O-N 2.9Å; A627-R629 VanDerWaalsContact C-N 3.32Å; A627-R629 PolarHBondContact O-N 2.9Å; R629-T631 PolarHBondContact O-N 3.47Å; R629-T632 PolarHBondContact O-N 3.34Å; R629-T632 PolarHBondContact O-OG1 3.05Å
630	R	45.5	Very low	55.6	Low	144 Å²	144	76.1 Å²	76.1	54%	0.543	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-66.1	-22.8	-172.8	-71.2	-173.7	179.4	176.8	1.6	114.1	T632	R630-T632 VanDerWaalsContact C-N 3.33Å; R630-T632 PolarHBondContact O-N 3.24Å
631	T	39.3	Very low	52.7	Low	81 Å²	81	85.2 Å²	85.2	50%	0.497	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-77.7	-7.1	-176.7	57.9	0	0	0	0	115.1	R629	R629-T631 PolarHBondContact O-N 3.47Å
632	T	33.1	Very low	49.7	Very low	100 Å²	100	89.6 Å²	89.6	61%	0.613	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-97.6	-6.4	-174.5	56.9	0	0	0	0	115	R629 R630	R629-T632 PolarHBondContact O-N 3.34Å; R629-T632 PolarHBondContact O-OG1 3.05Å; R630-T632 VanDerWaalsContact C-N 3.33Å; R630-T632 PolarHBondContact O-N 3.24Å
633	N	33.6	Very low	47	Very low	149 Å²	149	95.4 Å²	95.4	80%	0.797	51%	0.507	S	S	*	.	S	Bend	trans	-107.6	-3.9	-175.7	-76.9	-5	0	0	0	114.9
634	T	31.4	Very low	44.3	Very low	113 Å²	113	101.4 Å²	101.4	69%	0.693	52%	0.524	S	S	*	.	S	Bend	trans	-91.9	106.9	170.9	44.5	0	0	0	0	109.3	S636	T634-S636 PolarHBondContact O-N 2.8Å
635	K	30.4	Very low	41.3	Very low	195 Å²	195	108.7 Å²	108.7	85%	0.848	56%	0.562	S	S	*	*			trans	-56.8	118.2	167.2	-75.1	177	174.8	177	0	108.9
636	S	26.2	Very low	38.4	Very low	90 Å²	90	116.3 Å²	116.3	63%	0.629	62%	0.616	S	S	*	*			trans	39.9	84.7	147.5	62.7	0	0	0	0	117.1	T634	T634-S636 PolarHBondContact O-N 2.8Å
637	D	27.1	Very low	36.6	Very low	150 Å²	150	120.7 Å²	120.7	80%	0.802	64%	0.638	S	S	*	*			trans	-127.7	102.7	145.7	-80	-35.8	0	0	0	106.7	S639	D637-S639 VanDerWaalsContact C-N 3.29Å; D637-S639 PolarHBondContact O-N 2.98Å
638	H	31.2	Very low	34.9	Very low	201 Å²	201	127 Å²	127	93%	0.931	67%	0.672	S	S	*	*			trans	-89.9	38.3	-173.2	-96.6	-64.9	0	0	0	112
639	S	33.7	Very low	33.5	Very low	72 Å²	72	133.1 Å²	133.1	50%	0.503	70%	0.704	S	S	.	*			trans	-111.3	-11.5	-171.1	55	0	0	0	0	116.9	D637	D637-S639 VanDerWaalsContact C-N 3.29Å; D637-S639 PolarHBondContact O-N 2.98Å
640	D	34	Very low	32.4	Very low	128 Å²	128	136.2 Å²	136.2	68%	0.684	73%	0.728	S	S	*	*	S	Bend	trans	-110.5	8.3	-159.3	-65.8	4.5	0	0	0	115.5
641	E	33.1	Very low	31.5	Very low	193 Å²	193	135.8 Å²	135.8	90%	0.902	74%	0.739	S	S	*	*	S	Bend	trans	-99	2.1	177.4	-87.3	-169.7	159.5	0	0	114.6
642	S	30.9	Very low	31	Very low	92 Å²	92	139.4 Å²	139.4	64%	0.643	76%	0.756	S	S	*	*	S	Bend	trans	-93.3	-10.2	-178.3	54.8	0	0	0	0	116.1	Y644	S642-Y644 PolarHBondContact O-N 3.25Å
643	D	31.2	Very low	30.9	Very low	134 Å²	134	142.2 Å²	142.2	72%	0.717	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	22.6	-171.1	-74.2	-0.3	0	0	0	114.4
644	Y	34.8	Very low	30.7	Very low	154 Å²	154	141.7 Å²	141.7	60%	0.604	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.4	11.9	-176.2	-86	-83.5	0	0	0	115.1	Y432 S642	Y432-Y644 PolarHBondContact OH-OH 2.81Å; S642-Y644 PolarHBondContact O-N 3.25Å
645	L	28.6	Very low	30.6	Very low	154 Å²	154	144.1 Å²	144.1	81%	0.806	77%	0.769	S	S	*	*			trans	-123.7	74.2	172.7	-73.6	163.7	0	0	0	109.3
646	S	26.1	Very low	30.6	Very low	166 Å²	166	139.5 Å²	139.5	100%	1.161	76%	0.762	S	S	*	*			trans	-156.8	0	163.8	68.4	0	0	0	0	107.6

Retrieved 646 of 646 residues in 908.2 ms (Link to these results)

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