A0A087XNM0_POEFO Loading...

LON peptidase N-terminal domain and ring finger 1

AlphaFold DB , UniProt , Accession A0A087XNM0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 738 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	33.2	Very low	31.9	Very low	238 Å²	238	137.7 Å²	137.7	100%	1.172	80%	0.795	S	S	*	*				0	114.9	0	-66.8	158.7	174	0	0	105.6
2	A	33.5	Very low	31.7	Very low	90 Å²	90	139.3 Å²	139.3	74%	0.744	80%	0.798	S	S	*	*				67.6	131.3	63.1	0	0	0	0	0	110.5
3	L	29.2	Very low	32	Very low	171 Å²	171	140.1 Å²	140.1	90%	0.895	79%	0.791	S	S	*	*			cis	-140.1	162	37.5	-73.1	150.8	0	0	0	115.2
4	K	33.1	Very low	31.9	Very low	191 Å²	191	142.9 Å²	142.9	83%	0.83	79%	0.79	S	S	*	*			trans	-106.6	157.7	154.8	-97.7	-172.8	176.1	-178.4	0	108.2
5	P	41	Very low	31.6	Very low	113 Å²	113	141.3 Å²	141.3	73%	0.734	79%	0.793	S	S	*	*				-135.8	163.9	93.1	37.1	-22.7	0	0	0	112.4
6	Q	30.6	Very low	31.6	Very low	168 Å²	168	137.8 Å²	137.8	79%	0.785	79%	0.787	S	S	*	*			cis	70.7	141.9	39.4	-120.4	178.1	3.1	0	0	112.3
7	V	34.3	Very low	31.9	Very low	126 Å²	126	141.1 Å²	141.1	76%	0.764	79%	0.791	S	S	*	*			cis	-152.7	151	35	166.9	0	0	0	0	108.7
8	A	30.6	Very low	31.8	Very low	77 Å²	77	144.7 Å²	144.7	64%	0.636	80%	0.797	S	S	*	*			cis	-149.4	-108	-19.9	0	0	0	0	0	109
9	N	30.1	Very low	32.1	Very low	137 Å²	137	142.6 Å²	142.6	73%	0.733	78%	0.784	S	S	*	*			cis	-171.8	153.6	-16.2	-130.6	32.9	0	0	0	105.3
10	T	27.7	Very low	32.1	Very low	110 Å²	110	138 Å²	138	68%	0.675	77%	0.77	S	S	*	*			cis	-168	144.6	-7.6	3.1	0	0	0	0	109.5
11	A	28.3	Very low	32.3	Very low	94 Å²	94	135.1 Å²	135.1	78%	0.777	76%	0.764	S	S	*	*			trans	63.6	157.2	166.1	0	0	0	0	0	117.9
12	D	28.6	Very low	32.7	Very low	156 Å²	156	132 Å²	132	83%	0.834	75%	0.746	S	S	*	*			cis	-144.8	172.1	1.9	-146.1	-23.3	0	0	0	112
13	E	36.2	Very low	33.1	Very low	150 Å²	150	135.7 Å²	135.7	70%	0.701	75%	0.748	S	S	*	*			trans	-90.5	165	-179.8	-61.8	-170.4	136.2	0	0	115.3
14	K	30.7	Very low	33.9	Very low	180 Å²	180	134 Å²	134	78%	0.783	74%	0.736	S	S	*	*			trans	81.5	111.4	160.8	-57.2	149.5	-169.1	160.5	0	118
15	S	27.3	Very low	34.6	Very low	118 Å²	118	132 Å²	132	83%	0.825	73%	0.729	S	S	*	*				172.5	165.5	96.4	48.4	0	0	0	0	112.1
16	A	31.4	Very low	35.2	Very low	85 Å²	85	134.1 Å²	134.1	70%	0.702	73%	0.729	S	S	*	*			trans	39.4	106.6	167.1	0	0	0	0	0	117.6
17	F	37	Very low	36.6	Very low	194 Å²	194	127.9 Å²	127.9	85%	0.851	71%	0.71	S	S	*	*				55	76.5	57.6	-129.2	-70.4	0	0	0	113.3
18	F	30.1	Very low	38.4	Very low	206 Å²	206	127.8 Å²	127.8	90%	0.904	70%	0.701	S	S	*	*			trans	-146.4	102.4	156.3	-109.3	-79.3	0	0	0	108.3
19	I	36.5	Very low	40.7	Very low	106 Å²	106	125.6 Å²	125.6	54%	0.544	68%	0.678	S	S	.	*			trans	-85.5	142.6	164.8	-67.1	172.8	0	0	0	106.8	A21	I19-A21 PolarHBondContact O-N 2.75Å
20	G	32.4	Very low	43.1	Very low	50 Å²	50	124.4 Å²	124.4	52%	0.515	67%	0.668	S	S	.	*			trans	-70	119.4	174.5	0	0	0	0	0	110.1	E22 E23	G20-E22 PolarHBondContact O-N 2.67Å; G20-E23 PolarHBondContact O-N 3.46Å
21	A	37.6	Very low	45.8	Very low	77 Å²	77	124.3 Å²	124.3	64%	0.636	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	6.4	-174.1	0	0	0	0	0	115.1	I19	I19-A21 PolarHBondContact O-N 2.75Å
22	E	40.4	Very low	48.5	Very low	173 Å²	173	120.7 Å²	120.7	81%	0.808	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-22.4	-179.3	-61.6	-179.8	159.4	0	0	112.4	G20	G20-E22 PolarHBondContact O-N 2.67Å
23	E	41.3	Very low	51.1	Low	167 Å²	167	113.5 Å²	113.5	78%	0.78	59%	0.592	S	S	*	*	H	α-helix	trans	-84.4	-21	-179.7	-66.8	-172.9	154	0	0	113.9	G20	G20-E23 PolarHBondContact O-N 3.46Å
24	E	46.7	Very low	53.5	Low	136 Å²	136	111.2 Å²	111.2	64%	0.636	58%	0.581	S	S	*	*	H	α-helix	trans	-82.3	-27.6	-179.4	-67.1	-168	149.5	0	0	113.4	H28	E24-H28 PolarHBondContact O-N 3.22Å
25	E	48.6	Very low	56.2	Low	148 Å²	148	107.5 Å²	107.5	69%	0.692	57%	0.565	S	S	*	*	H	α-helix	trans	-73.1	-39.2	-177.7	-67	-159.7	143.6	0	0	113.1	G27 H28 H29	E25-G27 VanDerWaalsContact C-N 3.33Å; E25-G27 PolarHBondContact O-N 2.88Å; E25-H28 PolarHBondContact O-N 3.36Å; E25-H29 PolarHBondContact O-N 3.49Å
26	E	52	Low	59	Low	158 Å²	158	101.9 Å²	101.9	74%	0.738	53%	0.525	S	S	*	.	H	α-helix	trans	-60.8	-42.5	176.5	-69.1	-159.3	136.8	0	0	111.5	H28 H29 E30	E26-H28 VanDerWaalsContact C-N 3.32Å; E26-H28 PolarHBondContact O-N 3.28Å; E26-H29 PolarHBondContact O-N 3.38Å; E26-E30 PolarHBondContact O-N 3.34Å
27	G	60.7	Low	61.7	Low	37 Å²	37	99.8 Å²	99.8	38%	0.381	50%	0.503	S	S	.	.	H	α-helix	trans	-63.6	-34.7	176.8	0	0	0	0	0	113.3	E25 L31	E25-G27 VanDerWaalsContact C-N 3.33Å; E25-G27 PolarHBondContact O-N 2.88Å; G27-L31 WeakPolarHBondContact O-CB 3.48Å; G27-L31 PolarHBondContact O-N 2.78Å; G27-L31 VanDerWaalsContact O-N 3.15Å
28	H	71.8	Confident	64	Low	125 Å²	125	92.7 Å²	92.7	58%	0.579	48%	0.479	S	S	*	.	H	α-helix	trans	-70.7	-39.7	172.6	-93.6	37	0	0	0	112.6	E24 E25 E26 E30 L31 I32	E24-H28 PolarHBondContact O-N 3.22Å; E25-H28 PolarHBondContact O-N 3.36Å; E26-H28 VanDerWaalsContact C-N 3.32Å; E26-H28 PolarHBondContact O-N 3.28Å; H28-E30 PolarHBondContact O-N 2.92Å; H28-L31 PolarHBondContact O-N 3.21Å; H28-I32 WeakPolarHBondContact O-CD1 3.36Å; H28-I32 VanDerWaalsContact O-CG1 3.23Å; H28-I32 WeakPolarHBondContact O-CG1 3.43Å; H28-I32 PolarHBondContact O-N 3.37Å; H28-I32 VanDerWaalsContact O-N 3.13Å
29	H	79.9	Confident	66.7	Low	30 Å²	30	84.3 Å²	84.3	14%	0.139	44%	0.444	C	S	.	.	H	α-helix	trans	-59.5	-46.4	175.1	-172.7	-108.1	0	0	0	111.8	E25 E26 I32 L33 A55 G59	E25-H29 PolarHBondContact O-N 3.49Å; E26-H29 PolarHBondContact O-N 3.38Å; H29-I32 PolarHBondContact O-N 3.49Å; H29-L33 PolarHBondContact O-N 3.33Å; H29-L33 VanDerWaalsContact O-N 3.13Å; H29-A55 PolarHBondContact CD2-O 2.94Å; H29-A55 VanDerWaalsContact CD2-O 3.31Å; H29-A55 PolarHBondContact NE2-O 3.33Å; H29-A55 VanDerWaalsContact NE2-O 3.13Å; H29-G59 PolarHBondContact CD2-N 3.41Å; H29-G59 VanDerWaalsContact CD2-N 3.33Å; H29-G59 WeakPolarHBondContact NE2-CA 3.32Å; H29-G59 PolarHBondContact NE2-N 2.98Å; H29-G59 PolarHBondContact NE2-O 3.19Å
30	E	80.1	Confident	69.1	Low	113 Å²	113	79.2 Å²	79.2	53%	0.528	42%	0.418	S	S	.	.	H	α-helix	trans	-66.9	-41	179.8	-159	-174	152.4	0	0	112.1	E26 H28 I32 L33 Q34	E26-E30 PolarHBondContact O-N 3.34Å; H28-E30 PolarHBondContact O-N 2.92Å; E30-I32 VanDerWaalsContact C-N 3.3Å; E30-I32 PolarHBondContact O-N 3.4Å; E30-L33 PolarHBondContact O-N 2.86Å; E30-L33 VanDerWaalsContact O-N 3.14Å; E30-Q34 HydrophobicContact CG-CG 4.3Å; E30-Q34 WeakPolarHBondContact O-CG 3.46Å; E30-Q34 PolarHBondContact O-N 3.41Å; E30-Q34 PolarHBondContact OE1-NE2 3.02Å
31	L	83.4	Confident	71.7	Confident	107 Å²	107	81 Å²	81	56%	0.56	42%	0.419	S	S	*	.	H	α-helix	trans	-58.1	-39.2	175.1	-91	163.1	0	0	0	113	G27 H28 K35	G27-L31 WeakPolarHBondContact O-CB 3.48Å; G27-L31 PolarHBondContact O-N 2.78Å; G27-L31 VanDerWaalsContact O-N 3.15Å; H28-L31 PolarHBondContact O-N 3.21Å; L31-K35 WeakPolarHBondContact O-CB 3.29Å; L31-K35 PolarHBondContact O-N 2.82Å; L31-K35 VanDerWaalsContact O-N 3.08Å
32	I	84.9	Confident	74	Confident	19 Å²	19	83.9 Å²	83.9	10%	0.097	42%	0.419	C	S	.	.	H	α-helix	trans	-67	-41.5	176.8	-64.6	166	0	0	0	110.3	H28 H29 E30 K35 G36 W51 A54 A55 Y58	H28-I32 WeakPolarHBondContact O-CD1 3.36Å; H28-I32 VanDerWaalsContact O-CG1 3.23Å; H28-I32 WeakPolarHBondContact O-CG1 3.43Å; H28-I32 PolarHBondContact O-N 3.37Å; H28-I32 VanDerWaalsContact O-N 3.13Å; H29-I32 PolarHBondContact O-N 3.49Å; E30-I32 VanDerWaalsContact C-N 3.3Å; E30-I32 PolarHBondContact O-N 3.4Å; I32-K35 PolarHBondContact O-N 3.15Å; I32-G36 PolarHBondContact O-N 3.49Å; I32-W51 HydrophobicContact CB-CE3 4.41Å; I32-W51 HydrophobicContact CB-CZ3 4.47Å; I32-W51 HydrophobicContact CG1-CZ3 4.19Å; I32-W51 HydrophobicContact CG2-CE3 3.83Å; I32-W51 HydrophobicContact CG2-CZ3 4.22Å; I32-A54 HydrophobicContact CG2-CB 4.13Å; I32-A55 HydrophobicContact CG2-CB 3.84Å; I32-Y58 HydrophobicContact CD1-CD2 3.42Å; I32-Y58 VanDerWaalsContact CD1-CD2 3.42Å; I32-Y58 HydrophobicContact CD1-CE2 3.63Å; I32-Y58 HydrophobicContact CD1-CG 4Å
33	L	84.4	Confident	76	Confident	5 Å²	5	77.3 Å²	77.3	3%	0.026	39%	0.39	C	S	.	.	H	α-helix	trans	-67.2	-43.7	175.6	-76.9	173.9	0	0	0	113.2	H29 E30 K35 G36 N37 F52 A55 V61	H29-L33 PolarHBondContact O-N 3.33Å; H29-L33 VanDerWaalsContact O-N 3.13Å; E30-L33 PolarHBondContact O-N 2.86Å; E30-L33 VanDerWaalsContact O-N 3.14Å; L33-K35 VanDerWaalsContact C-N 3.27Å; L33-K35 PolarHBondContact O-N 3.13Å; L33-G36 PolarHBondContact O-N 3.3Å; L33-N37 WeakPolarHBondContact O-CB 3.37Å; L33-N37 PolarHBondContact O-N 3.4Å; L33-N37 PolarHBondContact O-ND2 3.06Å; L33-N37 VanDerWaalsContact O-ND2 3.09Å; L33-F52 HydrophobicContact CD2-CD1 3.91Å; L33-F52 HydrophobicContact CD2-CE1 4.02Å; L33-A55 HydrophobicContact CD2-CB 3.54Å; L33-A55 HydrophobicContact CG-CB 3.82Å; L33-V61 HydrophobicContact CD1-CG1 4.43Å; L33-V61 HydrophobicContact CD1-CG2 4.41Å; L33-V61 HydrophobicContact CD2-CG1 3.78Å; L33-V61 HydrophobicContact CD2-CG2 3.87Å
34	Q	86.4	Confident	78.1	Confident	102 Å²	102	71.5 Å²	71.5	48%	0.477	37%	0.367	S	S	.	.	H	α-helix	trans	-59.3	-40.4	175.8	-72.2	178.7	12.9	0	0	110.9	E30 N37 A38	E30-Q34 HydrophobicContact CG-CG 4.3Å; E30-Q34 WeakPolarHBondContact O-CG 3.46Å; E30-Q34 PolarHBondContact O-N 3.41Å; E30-Q34 PolarHBondContact OE1-NE2 3.02Å; Q34-N37 PolarHBondContact O-N 2.86Å; Q34-A38 PolarHBondContact O-N 2.66Å
35	K	86.7	Confident	79.9	Confident	101 Å²	101	67.1 Å²	67.1	44%	0.439	35%	0.348	S	S	.	.	H	α-helix	trans	-69.7	-38.7	175.8	-172.5	165.6	175.2	-174.8	0	113.5	L31 I32 L33 N37 A38 L39 W51	L31-K35 WeakPolarHBondContact O-CB 3.29Å; L31-K35 PolarHBondContact O-N 2.82Å; L31-K35 VanDerWaalsContact O-N 3.08Å; I32-K35 PolarHBondContact O-N 3.15Å; L33-K35 VanDerWaalsContact C-N 3.27Å; L33-K35 PolarHBondContact O-N 3.13Å; K35-N37 VanDerWaalsContact C-N 3.33Å; K35-A38 PolarHBondContact O-N 2.93Å; K35-L39 HydrophobicContact CG-CD1 4.33Å; K35-L39 WeakPolarHBondContact O-CG 3.46Å; K35-L39 PolarHBondContact O-N 3.04Å; K35-L39 VanDerWaalsContact O-N 3.08Å; K35-W51 HydrophobicContact CB-CE3 4.09Å; K35-W51 HydrophobicContact CB-CZ3 4.49Å; K35-W51 HydrophobicContact CD-CD2 4.06Å; K35-W51 HydrophobicContact CD-CE3 3.86Å; K35-W51 HydrophobicContact CD-CH2 3.74Å; K35-W51 HydrophobicContact CD-CZ2 3.86Å; K35-W51 HydrophobicContact CD-CZ3 3.71Å; K35-W51 VanDerWaalsContact CE-CZ2 3.45Å; K35-W51 HydrophobicContact CG-CD2 4.07Å; K35-W51 HydrophobicContact CG-CE3 4.04Å; K35-W51 HydrophobicContact CG-CZ3 4.38Å
36	G	86.9	Confident	81.5	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-60	-42.5	170.5	0	0	0	0	0	112.3	I32 L33 A40 F52	I32-G36 PolarHBondContact O-N 3.49Å; L33-G36 PolarHBondContact O-N 3.3Å; G36-A40 WeakPolarHBondContact O-CB 3.27Å; G36-A40 PolarHBondContact O-N 3.28Å; G36-F52 VanDerWaalsContact C-CE2 3.49Å; G36-F52 WeakPolarHBondContact O-CE2 3.37Å
37	N	87.5	Confident	83.1	Confident	42 Å²	42	63.7 Å²	63.7	23%	0.225	33%	0.329	C	S	.	.	H	α-helix	trans	-65.1	-41.7	175.4	-77.8	-46.2	0	0	0	112.7	L33 Q34 K35 A40 T41 F52 T68	L33-N37 WeakPolarHBondContact O-CB 3.37Å; L33-N37 PolarHBondContact O-N 3.4Å; L33-N37 PolarHBondContact O-ND2 3.06Å; L33-N37 VanDerWaalsContact O-ND2 3.09Å; Q34-N37 PolarHBondContact O-N 2.86Å; K35-N37 VanDerWaalsContact C-N 3.33Å; N37-A40 PolarHBondContact O-N 2.99Å; N37-T41 PolarHBondContact O-N 3.26Å; N37-T41 PolarHBondContact O-OG1 3.02Å; N37-F52 WeakPolarHBondContact OD1-CZ 3.45Å; N37-T68 WeakPolarHBondContact OD1-CB 3.43Å
38	A	86.6	Confident	84.2	Confident	44 Å²	44	62 Å²	62	36%	0.364	31%	0.311	S	S	.	.	H	α-helix	trans	-59.8	-51.6	175.4	0	0	0	0	0	111.8	Q34 K35 A40 T41 E42	Q34-A38 PolarHBondContact O-N 2.66Å; K35-A38 PolarHBondContact O-N 2.93Å; A38-A40 VanDerWaalsContact C-N 3.27Å; A38-A40 PolarHBondContact O-N 3.46Å; A38-T41 PolarHBondContact O-N 2.93Å; A38-T41 PolarHBondContact O-OG1 3.47Å; A38-E42 PolarHBondContact O-N 3.21Å
39	L	86.8	Confident	84.9	Confident	30 Å²	30	57.4 Å²	57.4	16%	0.157	29%	0.291	C	S	.	.	H	α-helix	trans	-61.2	-35.3	176.4	-69.3	165.9	0	0	0	112.2	K35 E42 D43 C44 E47 A48 W51	K35-L39 HydrophobicContact CG-CD1 4.33Å; K35-L39 WeakPolarHBondContact O-CG 3.46Å; K35-L39 PolarHBondContact O-N 3.04Å; K35-L39 VanDerWaalsContact O-N 3.08Å; L39-E42 PolarHBondContact O-N 3.33Å; L39-D43 PolarHBondContact O-N 3.31Å; L39-C44 HydrophobicContact CB-CB 4.36Å; L39-C44 HydrophobicContact CD2-CB 4.23Å; L39-C44 WeakPolarHBondContact O-CB 3.29Å; L39-C44 PolarHBondContact O-N 3Å; L39-E47 HydrophobicContact CD1-CB 4.13Å; L39-E47 HydrophobicContact CD2-CB 4.29Å; L39-A48 HydrophobicContact CB-CB 4.32Å; L39-W51 HydrophobicContact CD1-CG 3.9Å
40	A	86.8	Confident	85.1	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-66.1	-40.7	171.7	0	0	0	0	0	112.1	G36 N37 A38 E42 D43 A48 F52 T68 C72 R75	G36-A40 WeakPolarHBondContact O-CB 3.27Å; G36-A40 PolarHBondContact O-N 3.28Å; N37-A40 PolarHBondContact O-N 2.99Å; A38-A40 VanDerWaalsContact C-N 3.27Å; A38-A40 PolarHBondContact O-N 3.46Å; A40-E42 VanDerWaalsContact C-N 3.34Å; A40-E42 PolarHBondContact O-N 2.96Å; A40-D43 PolarHBondContact O-N 2.87Å; A40-D43 VanDerWaalsContact O-N 3.14Å; A40-A48 HydrophobicContact CB-CB 4.15Å; A40-F52 HydrophobicContact CB-CE2 4.21Å; A40-T68 HydrophobicContact CB-CG2 4.12Å; A40-C72 HydrophobicContact CB-CB 3.95Å; A40-C72 WeakPolarHBondContact O-CB 3.39Å; A40-R75 PolarHBondContact O-NH2 3.47Å
41	T	86.8	Confident	85.3	Confident	87 Å²	87	58.2 Å²	58.2	53%	0.534	29%	0.294	S	S	.	.	H	α-helix	trans	-63	-39.6	173.9	52.7	0	0	0	0	112.3	N37 A38 D43 T68 R75	N37-T41 PolarHBondContact O-N 3.26Å; N37-T41 PolarHBondContact O-OG1 3.02Å; A38-T41 PolarHBondContact O-N 2.93Å; A38-T41 PolarHBondContact O-OG1 3.47Å; T41-D43 PolarHBondContact O-N 2.89Å; T41-D43 VanDerWaalsContact O-N 3.16Å; T41-T68 HydrophobicContact CG2-CG2 3.65Å; T41-R75 PolarHBondContact O-NH1 3.36Å
42	E	85.8	Confident	85.4	Confident	138 Å²	138	53.2 Å²	53.2	65%	0.645	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-2.5	175	-66.5	178.4	167	0	0	114.1	A38 L39 A40 C44	A38-E42 PolarHBondContact O-N 3.21Å; L39-E42 PolarHBondContact O-N 3.33Å; A40-E42 VanDerWaalsContact C-N 3.34Å; A40-E42 PolarHBondContact O-N 2.96Å; E42-C44 PolarHBondContact O-N 3.25Å
43	D	82.4	Confident	85.3	Confident	35 Å²	35	53 Å²	53	19%	0.187	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	15.4	178.6	-146.4	29.5	0	0	0	114.4	L39 A40 T41 L45 R75 N76 K79	L39-D43 PolarHBondContact O-N 3.31Å; A40-D43 PolarHBondContact O-N 2.87Å; A40-D43 VanDerWaalsContact O-N 3.14Å; T41-D43 PolarHBondContact O-N 2.89Å; T41-D43 VanDerWaalsContact O-N 3.16Å; D43-L45 VanDerWaalsContact C-N 3.26Å; D43-L45 PolarHBondContact O-N 3.32Å; D43-R75 WeakPolarHBondContact OD1-CB 3.42Å; D43-R75 IonicContact OD1-CZ 2.71Å; D43-R75 IonicContact OD1-NE 3.84Å; D43-R75 IonicContact OD1-NH1 3.69Å; D43-N76 PolarHBondContact OD1-ND2 3.13Å; D43-K79 WeakPolarHBondContact OD2-CE 3.08Å; D43-K79 IonicContact OD2-NZ 3.8Å; D43-K79 PolarHBondContact OD2-NZ 3.47Å
44	C	84.6	Confident	85.2	Confident	44 Å²	44	53.9 Å²	53.9	30%	0.297	28%	0.275	S	S	.	.			trans	-75.4	69.9	174.5	-66.7	0	0	0	0	111.2	L39 E42 K46 E47 A48	L39-C44 HydrophobicContact CB-CB 4.36Å; L39-C44 HydrophobicContact CD2-CB 4.23Å; L39-C44 WeakPolarHBondContact O-CB 3.29Å; L39-C44 PolarHBondContact O-N 3Å; E42-C44 PolarHBondContact O-N 3.25Å; C44-K46 PolarHBondContact O-N 3.39Å; C44-E47 VanDerWaalsContact C-OE2 3.23Å; C44-E47 HydrophobicContact CB-CB 4.14Å; C44-E47 HydrophobicContact CB-CG 4.35Å; C44-E47 WeakPolarHBondContact CB-OE2 3.45Å; C44-E47 PolarHBondContact O-N 2.89Å; C44-A48 VanDerWaalsContact O-CB 3.3Å; C44-A48 WeakPolarHBondContact O-CB 3.44Å; C44-A48 PolarHBondContact O-N 2.91Å
45	L	84.6	Confident	85.1	Confident	45 Å²	45	49 Å²	49	24%	0.236	25%	0.253	C	S	.	.	H	α-helix	trans	-59.3	-37.3	-169.2	179.3	61.9	0	0	0	114.7	D43 I49 F69 I73 N76	D43-L45 VanDerWaalsContact C-N 3.26Å; D43-L45 PolarHBondContact O-N 3.32Å; L45-I49 HydrophobicContact CD1-CD1 4.33Å; L45-I49 HydrophobicContact CD1-CG1 4.44Å; L45-I49 HydrophobicContact CG-CD1 4.13Å; L45-I49 WeakPolarHBondContact O-CD1 3.42Å; L45-I49 VanDerWaalsContact O-CG1 3.23Å; L45-I49 WeakPolarHBondContact O-CG1 3.45Å; L45-I49 PolarHBondContact O-N 3.15Å; L45-F69 HydrophobicContact CD1-CE2 3.91Å; L45-I73 HydrophobicContact CD1-CG1 3.62Å; L45-N76 HydrophobicContact CD2-CB 3.92Å
46	K	82.6	Confident	84.8	Confident	147 Å²	147	45.6 Å²	45.6	64%	0.639	24%	0.239	S	C	*	.	H	α-helix	trans	-71.3	-44.5	-177.4	-66.2	175.8	-179.5	174.4	0	110.7	C44 I49 D50	C44-K46 PolarHBondContact O-N 3.39Å; K46-I49 WeakPolarHBondContact O-CB 3.39Å; K46-I49 PolarHBondContact O-N 3.43Å; K46-D50 PolarHBondContact O-N 3.31Å; K46-D50 VanDerWaalsContact O-N 3.09Å
47	E	84.6	Confident	84.5	Confident	87 Å²	87	54.4 Å²	54.4	41%	0.407	27%	0.272	S	S	.	.	H	α-helix	trans	-65	-44.8	179	-57.9	67.7	-152.3	0	0	108.9	L39 C44 D50 W51	L39-E47 HydrophobicContact CD1-CB 4.13Å; L39-E47 HydrophobicContact CD2-CB 4.29Å; C44-E47 VanDerWaalsContact C-OE2 3.23Å; C44-E47 HydrophobicContact CB-CB 4.14Å; C44-E47 HydrophobicContact CB-CG 4.35Å; C44-E47 WeakPolarHBondContact CB-OE2 3.45Å; C44-E47 PolarHBondContact O-N 2.89Å; E47-D50 PolarHBondContact O-N 3.48Å; E47-W51 VanDerWaalsContact O-CD1 3.25Å; E47-W51 PolarHBondContact O-N 3.21Å
48	A	85.2	Confident	84	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-58.3	-47.3	172.4	0	0	0	0	0	112.5	L39 A40 C44 D50 W51 F52 F69	L39-A48 HydrophobicContact CB-CB 4.32Å; A40-A48 HydrophobicContact CB-CB 4.15Å; C44-A48 VanDerWaalsContact O-CB 3.3Å; C44-A48 WeakPolarHBondContact O-CB 3.44Å; C44-A48 PolarHBondContact O-N 2.91Å; A48-D50 VanDerWaalsContact C-N 3.27Å; A48-D50 PolarHBondContact O-N 2.89Å; A48-W51 PolarHBondContact O-N 3.42Å; A48-F52 HydrophobicContact CB-CD2 4.38Å; A48-F52 HydrophobicContact CB-CE2 4.28Å; A48-F52 WeakPolarHBondContact O-CD2 3.42Å; A48-F52 PolarHBondContact O-N 2.69Å; A48-F69 HydrophobicContact CB-CD2 4.12Å; A48-F69 HydrophobicContact CB-CE2 4.18Å
49	I	86.1	Confident	83.5	Confident	29 Å²	29	58.9 Å²	58.9	15%	0.149	28%	0.283	C	S	.	.	H	α-helix	trans	-51.5	-49.2	174.1	-74.6	158.3	0	0	0	110.3	L45 K46 S53 F69	L45-I49 HydrophobicContact CD1-CD1 4.33Å; L45-I49 HydrophobicContact CD1-CG1 4.44Å; L45-I49 HydrophobicContact CG-CD1 4.13Å; L45-I49 WeakPolarHBondContact O-CD1 3.42Å; L45-I49 VanDerWaalsContact O-CG1 3.23Å; L45-I49 WeakPolarHBondContact O-CG1 3.45Å; L45-I49 PolarHBondContact O-N 3.15Å; K46-I49 WeakPolarHBondContact O-CB 3.39Å; K46-I49 PolarHBondContact O-N 3.43Å; I49-S53 WeakPolarHBondContact O-CB 3.38Å; I49-S53 PolarHBondContact O-N 2.95Å; I49-S53 PolarHBondContact O-OG 3.49Å; I49-F69 HydrophobicContact CB-CZ 4.47Å; I49-F69 HydrophobicContact CG1-CE2 3.83Å; I49-F69 HydrophobicContact CG1-CZ 3.61Å
50	D	83.9	Confident	83.1	Confident	77 Å²	77	63.2 Å²	63.2	41%	0.412	31%	0.312	S	S	.	.	H	α-helix	trans	-70.3	-33.3	-175.2	-67.5	-24.4	0	0	0	112	K46 E47 A48 A54 R296	K46-D50 PolarHBondContact O-N 3.31Å; K46-D50 VanDerWaalsContact O-N 3.09Å; E47-D50 PolarHBondContact O-N 3.48Å; A48-D50 VanDerWaalsContact C-N 3.27Å; A48-D50 PolarHBondContact O-N 2.89Å; D50-A54 WeakPolarHBondContact O-CB 3.47Å; D50-A54 PolarHBondContact O-N 3.39Å; D50-R296 IonicContact OD1-NH2 2.74Å; D50-R296 PolarHBondContact OD1-NH2 2.8Å; D50-R296 IonicContact OD2-NH2 3.26Å
51	W	85.2	Confident	82.9	Confident	84 Å²	84	63.6 Å²	63.6	32%	0.318	32%	0.315	S	S	.	.	H	α-helix	trans	-73.9	-40	174.3	-80.2	87	0	0	0	113.6	I32 K35 L39 E47 A48 S53 A54 A55	I32-W51 HydrophobicContact CB-CE3 4.41Å; I32-W51 HydrophobicContact CB-CZ3 4.47Å; I32-W51 HydrophobicContact CG1-CZ3 4.19Å; I32-W51 HydrophobicContact CG2-CE3 3.83Å; I32-W51 HydrophobicContact CG2-CZ3 4.22Å; K35-W51 HydrophobicContact CB-CE3 4.09Å; K35-W51 HydrophobicContact CB-CZ3 4.49Å; K35-W51 HydrophobicContact CD-CD2 4.06Å; K35-W51 HydrophobicContact CD-CE3 3.86Å; K35-W51 HydrophobicContact CD-CH2 3.74Å; K35-W51 HydrophobicContact CD-CZ2 3.86Å; K35-W51 HydrophobicContact CD-CZ3 3.71Å; K35-W51 VanDerWaalsContact CE-CZ2 3.45Å; K35-W51 HydrophobicContact CG-CD2 4.07Å; K35-W51 HydrophobicContact CG-CE3 4.04Å; K35-W51 HydrophobicContact CG-CZ3 4.38Å; L39-W51 HydrophobicContact CD1-CG 3.9Å; E47-W51 VanDerWaalsContact O-CD1 3.25Å; E47-W51 PolarHBondContact O-N 3.21Å; A48-W51 PolarHBondContact O-N 3.42Å; W51-S53 VanDerWaalsContact C-N 3.34Å; W51-A54 WeakPolarHBondContact O-CB 3.45Å; W51-A54 PolarHBondContact O-N 2.89Å; W51-A54 VanDerWaalsContact O-N 3.12Å; W51-A55 PolarHBondContact O-N 3.45Å
52	F	85.2	Confident	82.6	Confident	1 Å²	1	68.1 Å²	68.1	0%	0.004	32%	0.322	C	S	.	.	H	α-helix	trans	-68.2	-35	171.1	-70.7	-68.4	0	0	0	111.9	L33 G36 N37 A40 A48 A54 A55 M56 L66 F69 L284	L33-F52 HydrophobicContact CD2-CD1 3.91Å; L33-F52 HydrophobicContact CD2-CE1 4.02Å; G36-F52 VanDerWaalsContact C-CE2 3.49Å; G36-F52 WeakPolarHBondContact O-CE2 3.37Å; N37-F52 WeakPolarHBondContact OD1-CZ 3.45Å; A40-F52 HydrophobicContact CB-CE2 4.21Å; A48-F52 HydrophobicContact CB-CD2 4.38Å; A48-F52 HydrophobicContact CB-CE2 4.28Å; A48-F52 WeakPolarHBondContact O-CD2 3.42Å; A48-F52 PolarHBondContact O-N 2.69Å; F52-A54 PolarHBondContact O-N 3.01Å; F52-A55 PolarHBondContact O-N 3.31Å; F52-M56 PolarHBondContact O-N 3.19Å; F52-L66 HydrophobicContact CB-CD2 4.36Å; F52-L66 HydrophobicContact CD1-CD2 3.5Å; F52-L66 HydrophobicContact CE1-CD2 3.97Å; F52-L66 HydrophobicContact CG-CD2 3.99Å; F52-F69 HydrophobicContact CD2-CB 3.93Å; F52-F69 HydrophobicContact CD2-CD1 4.19Å; F52-F69 AromaticContact CD2-CD2 3.61Å; F52-F69 HydrophobicContact CD2-CD2 3.61Å; F52-F69 HydrophobicContact CD2-CE2 4.14Å; F52-F69 AromaticContact CD2-CG 3.65Å; F52-F69 HydrophobicContact CD2-CG 3.65Å; F52-F69 HydrophobicContact CE2-CB 3.54Å; F52-F69 AromaticContact CE2-CD2 3.73Å; F52-F69 HydrophobicContact CE2-CD2 3.73Å; F52-F69 AromaticContact CE2-CG 3.74Å; F52-F69 HydrophobicContact CE2-CG 3.74Å; F52-F69 HydrophobicContact CG-CG 4.44Å; F52-F69 HydrophobicContact CZ-CB 3.92Å; F52-L284 HydrophobicContact CB-CD1 4.15Å
53	S	82.6	Confident	82.5	Confident	15 Å²	15	63.1 Å²	63.1	11%	0.105	30%	0.302	C	S	.	.	H	α-helix	trans	-66.3	-18.2	170.3	-58.9	0	0	0	0	113.4	I49 W51 R57 L284	I49-S53 WeakPolarHBondContact O-CB 3.38Å; I49-S53 PolarHBondContact O-N 2.95Å; I49-S53 PolarHBondContact O-OG 3.49Å; W51-S53 VanDerWaalsContact C-N 3.34Å; S53-R57 PolarHBondContact O-NE 2.82Å; S53-R57 PolarHBondContact O-NH2 2.99Å; S53-L284 VanDerWaalsContact OG-CD2 3.31Å; S53-L284 WeakPolarHBondContact OG-CD2 3.24Å
54	A	82.9	Confident	82.5	Confident	23 Å²	23	67.1 Å²	67.1	19%	0.19	32%	0.319	C	S	.	.	H	α-helix	trans	-85.3	-48.2	172.2	0	0	0	0	0	110.5	I32 D50 W51 F52 M56 R57 Y58	I32-A54 HydrophobicContact CG2-CB 4.13Å; D50-A54 WeakPolarHBondContact O-CB 3.47Å; D50-A54 PolarHBondContact O-N 3.39Å; W51-A54 WeakPolarHBondContact O-CB 3.45Å; W51-A54 PolarHBondContact O-N 2.89Å; W51-A54 VanDerWaalsContact O-N 3.12Å; F52-A54 PolarHBondContact O-N 3.01Å; A54-M56 PolarHBondContact O-N 3.46Å; A54-R57 WeakPolarHBondContact O-CB 3.23Å; A54-R57 PolarHBondContact O-N 2.93Å; A54-Y58 WeakPolarHBondContact O-CD2 3.3Å; A54-Y58 PolarHBondContact O-N 2.88Å
55	A	84	Confident	82.5	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-51.3	-44.6	177.6	0	0	0	0	0	112.2	H29 I32 L33 W51 F52 R57 Y58 G59 V61	H29-A55 PolarHBondContact CD2-O 2.94Å; H29-A55 VanDerWaalsContact CD2-O 3.31Å; H29-A55 PolarHBondContact NE2-O 3.33Å; H29-A55 VanDerWaalsContact NE2-O 3.13Å; I32-A55 HydrophobicContact CG2-CB 3.84Å; L33-A55 HydrophobicContact CD2-CB 3.54Å; L33-A55 HydrophobicContact CG-CB 3.82Å; W51-A55 PolarHBondContact O-N 3.45Å; F52-A55 PolarHBondContact O-N 3.31Å; A55-R57 PolarHBondContact O-N 3.45Å; A55-R57 VanDerWaalsContact O-N 3.11Å; A55-Y58 PolarHBondContact O-N 3.23Å; A55-Y58 VanDerWaalsContact O-N 3.08Å; A55-G59 PolarHBondContact O-N 3.45Å; A55-G59 VanDerWaalsContact O-O 3.06Å; A55-V61 HydrophobicContact CB-CG2 3.82Å
56	M	80.9	Confident	82.6	Confident	30 Å²	30	66.5 Å²	66.5	15%	0.148	31%	0.311	C	S	.	.	H	α-helix	trans	-59.4	-18.5	176.6	-79	-63.6	-152.9	0	0	115.7	F52 A54 V61 C281 L284 S285	F52-M56 PolarHBondContact O-N 3.19Å; A54-M56 PolarHBondContact O-N 3.46Å; M56-V61 HydrophobicContact CE-CB 3.91Å; M56-V61 HydrophobicContact CG-CB 4.41Å; M56-V61 HydrophobicContact CG-CG2 4.01Å; M56-V61 HydrophobicContact SD-CB 3.63Å; M56-V61 HydrophobicContact SD-CG2 3.67Å; M56-C281 HydrophobicContact CE-CB 4.17Å; M56-C281 WeakPolarHBondContact CE-O 3.37Å; M56-C281 VanDerWaalsContact CE-SG 3.51Å; M56-L284 HydrophobicContact CE-CB 4.43Å; M56-L284 HydrophobicContact CG-CB 4.13Å; M56-S285 WeakPolarHBondContact CE-OG 3.39Å
57	R	79.3	Confident	82.7	Confident	185 Å²	185	61.3 Å²	61.3	70%	0.698	29%	0.293	S	S	*	.	H	α-helix	trans	-91.7	-23.2	176.8	-59.4	179	-137.9	175	6.6	113	S53 A54 A55	S53-R57 PolarHBondContact O-NE 2.82Å; S53-R57 PolarHBondContact O-NH2 2.99Å; A54-R57 WeakPolarHBondContact O-CB 3.23Å; A54-R57 PolarHBondContact O-N 2.93Å; A55-R57 PolarHBondContact O-N 3.45Å; A55-R57 VanDerWaalsContact O-N 3.11Å
58	Y	77.5	Confident	82.8	Confident	164 Å²	164	59.2 Å²	59.2	64%	0.643	29%	0.286	S	S	*	.	H	α-helix	trans	-90.1	-26.9	176.9	-71.8	-79.6	0	0	0	112.2	I32 A54 A55	I32-Y58 HydrophobicContact CD1-CD2 3.42Å; I32-Y58 VanDerWaalsContact CD1-CD2 3.42Å; I32-Y58 HydrophobicContact CD1-CE2 3.63Å; I32-Y58 HydrophobicContact CD1-CG 4Å; A54-Y58 WeakPolarHBondContact O-CD2 3.3Å; A54-Y58 PolarHBondContact O-N 2.88Å; A55-Y58 PolarHBondContact O-N 3.23Å; A55-Y58 VanDerWaalsContact O-N 3.08Å
59	G	76.2	Confident	83	Confident	16 Å²	16	59.4 Å²	59.4	17%	0.165	29%	0.287	C	S	.	.	S	Bend	trans	-176.1	163.9	177.8	0	0	0	0	0	113.9	H29 A55 V61	H29-G59 PolarHBondContact CD2-N 3.41Å; H29-G59 VanDerWaalsContact CD2-N 3.33Å; H29-G59 WeakPolarHBondContact NE2-CA 3.32Å; H29-G59 PolarHBondContact NE2-N 2.98Å; H29-G59 PolarHBondContact NE2-O 3.19Å; A55-G59 PolarHBondContact O-N 3.45Å; A55-G59 VanDerWaalsContact O-O 3.06Å; G59-V61 PolarHBondContact O-N 3.32Å
60	P	77.3	Confident	83	Confident	121 Å²	121	58 Å²	58	79%	0.786	28%	0.28	S	S	*	.			trans	-68.7	112	-176.3	28.2	-34.6	0	0	0	111.8
61	V	82.4	Confident	83.1	Confident	8 Å²	8	56.9 Å²	56.9	5%	0.048	27%	0.274	C	S	.	.			trans	-83.9	129.1	173.3	-171.9	0	0	0	0	109.2	L33 A55 M56 G59 Q65 L66	L33-V61 HydrophobicContact CD1-CG1 4.43Å; L33-V61 HydrophobicContact CD1-CG2 4.41Å; L33-V61 HydrophobicContact CD2-CG1 3.78Å; L33-V61 HydrophobicContact CD2-CG2 3.87Å; A55-V61 HydrophobicContact CB-CG2 3.82Å; M56-V61 HydrophobicContact CE-CB 3.91Å; M56-V61 HydrophobicContact CG-CB 4.41Å; M56-V61 HydrophobicContact CG-CG2 4.01Å; M56-V61 HydrophobicContact SD-CB 3.63Å; M56-V61 HydrophobicContact SD-CG2 3.67Å; G59-V61 PolarHBondContact O-N 3.32Å; V61-Q65 HydrophobicContact CG1-CB 3.81Å; V61-L66 HydrophobicContact CG1-CD2 4.05Å; V61-L66 HydrophobicContact CG1-CG 4.36Å
62	R	82.2	Confident	83.2	Confident	181 Å²	181	52.9 Å²	52.9	68%	0.683	26%	0.259	S	S	*	.			trans	-78.2	145.7	175.5	-57.4	-176	-175.2	176.2	4.3	110.3	E64 Q65	R62-E64 PolarHBondContact O-N 2.72Å; R62-E64 VanDerWaalsContact O-N 3.11Å; R62-Q65 HydrophobicContact CB-CG 4.39Å; R62-Q65 WeakPolarHBondContact O-CB 3.46Å; R62-Q65 PolarHBondContact O-N 2.82Å
63	P	83	Confident	83.2	Confident	34 Å²	34	54.1 Å²	54.1	22%	0.221	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-49.9	-40	179.7	-29.3	36.4	0	0	0	113.9	Q65 L66 E277 K278 C281	P63-Q65 PolarHBondContact O-N 2.9Å; P63-L66 WeakPolarHBondContact O-CB 3.47Å; P63-L66 PolarHBondContact O-N 3.47Å; P63-E277 HydrophobicContact CB-CB 3.89Å; P63-E277 WeakPolarHBondContact O-CB 3.41Å; P63-E277 WeakPolarHBondContact O-CG 3.34Å; P63-K278 HydrophobicContact CG-CB 4.45Å; P63-C281 HydrophobicContact CG-CB 4.2Å
64	E	82	Confident	83.3	Confident	118 Å²	118	53.6 Å²	53.6	55%	0.551	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-62.8	-26	-179	-60.6	76.8	-169.6	0	0	113	R62 L66 S67	R62-E64 PolarHBondContact O-N 2.72Å; R62-E64 VanDerWaalsContact O-N 3.11Å; E64-L66 PolarHBondContact O-N 3.18Å; E64-S67 WeakPolarHBondContact O-CB 3.46Å; E64-S67 PolarHBondContact O-N 3.4Å
65	Q	85.8	Confident	83.5	Confident	76 Å²	76	56.3 Å²	56.3	36%	0.355	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-75.1	-9.1	175.6	-61.8	173.5	-78	0	0	112.7	V61 R62 P63	V61-Q65 HydrophobicContact CG1-CB 3.81Å; R62-Q65 HydrophobicContact CB-CG 4.39Å; R62-Q65 WeakPolarHBondContact O-CB 3.46Å; R62-Q65 PolarHBondContact O-N 2.82Å; P63-Q65 PolarHBondContact O-N 2.9Å
66	L	86.3	Confident	83.4	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.005	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-94.8	4.4	173.9	-56.5	-179.9	0	0	0	113	F52 V61 P63 E64 T68 F69 V70 L280 C281 L284	F52-L66 HydrophobicContact CB-CD2 4.36Å; F52-L66 HydrophobicContact CD1-CD2 3.5Å; F52-L66 HydrophobicContact CE1-CD2 3.97Å; F52-L66 HydrophobicContact CG-CD2 3.99Å; V61-L66 HydrophobicContact CG1-CD2 4.05Å; V61-L66 HydrophobicContact CG1-CG 4.36Å; P63-L66 WeakPolarHBondContact O-CB 3.47Å; P63-L66 PolarHBondContact O-N 3.47Å; E64-L66 PolarHBondContact O-N 3.18Å; L66-T68 PolarHBondContact O-N 3.21Å; L66-F69 HydrophobicContact CB-CB 4.46Å; L66-F69 HydrophobicContact CD2-CD1 4.47Å; L66-F69 WeakPolarHBondContact O-CA 3.47Å; L66-F69 VanDerWaalsContact O-CB 3.3Å; L66-F69 WeakPolarHBondContact O-CB 3.23Å; L66-F69 PolarHBondContact O-N 2.83Å; L66-V70 PolarHBondContact O-N 3.42Å; L66-L280 HydrophobicContact CD1-CB 4.15Å; L66-C281 HydrophobicContact CD1-CB 3.98Å; L66-L284 HydrophobicContact CD1-CD1 4.32Å
67	S	85.1	Confident	83.4	Confident	37 Å²	37	60.8 Å²	60.8	26%	0.259	29%	0.287	S	S	.	.	H	α-helix	trans	-50.3	-50.4	-179.4	171.4	0	0	0	0	113.1	E64 F69 V70 D71 K273 E277	E64-S67 WeakPolarHBondContact O-CB 3.46Å; E64-S67 PolarHBondContact O-N 3.4Å; S67-F69 VanDerWaalsContact C-N 3.29Å; S67-F69 PolarHBondContact O-N 3.2Å; S67-V70 WeakPolarHBondContact O-CB 3.36Å; S67-V70 PolarHBondContact O-N 2.83Å; S67-D71 VanDerWaalsContact O-CG 3.26Å; S67-D71 PolarHBondContact O-N 2.97Å; S67-D71 VanDerWaalsContact O-N 3.11Å; S67-D71 VanDerWaalsContact O-OD2 3.1Å; S67-K273 PolarHBondContact O-NZ 3.04Å; S67-K273 WeakPolarHBondContact OG-CE 3.29Å; S67-K273 PolarHBondContact OG-NZ 3.4Å; S67-E277 WeakPolarHBondContact CA-OE1 3.38Å; S67-E277 WeakPolarHBondContact CB-OE1 3.38Å
68	T	86.4	Confident	83.3	Confident	43 Å²	43	56 Å²	56	26%	0.264	27%	0.271	S	S	.	.	H	α-helix	trans	-67.1	-28.6	178.4	-51.1	0	0	0	0	112.9	N37 A40 T41 L66 D71 C72	N37-T68 WeakPolarHBondContact OD1-CB 3.43Å; A40-T68 HydrophobicContact CB-CG2 4.12Å; T41-T68 HydrophobicContact CG2-CG2 3.65Å; L66-T68 PolarHBondContact O-N 3.21Å; T68-D71 PolarHBondContact O-N 2.84Å; T68-C72 PolarHBondContact O-N 3.1Å; T68-C72 VanDerWaalsContact O-N 3.08Å
69	F	88.6	Confident	82.4	Confident	4 Å²	4	54.3 Å²	54.3	2%	0.018	27%	0.267	C	S	.	.	H	α-helix	trans	-71.5	-39.7	174.4	-179.1	-127.2	0	0	0	111.7	L45 A48 I49 F52 L66 S67 D71 C72 I73 L280 L284	L45-F69 HydrophobicContact CD1-CE2 3.91Å; A48-F69 HydrophobicContact CB-CD2 4.12Å; A48-F69 HydrophobicContact CB-CE2 4.18Å; I49-F69 HydrophobicContact CB-CZ 4.47Å; I49-F69 HydrophobicContact CG1-CE2 3.83Å; I49-F69 HydrophobicContact CG1-CZ 3.61Å; F52-F69 HydrophobicContact CD2-CB 3.93Å; F52-F69 HydrophobicContact CD2-CD1 4.19Å; F52-F69 AromaticContact CD2-CD2 3.61Å; F52-F69 HydrophobicContact CD2-CD2 3.61Å; F52-F69 HydrophobicContact CD2-CE2 4.14Å; F52-F69 AromaticContact CD2-CG 3.65Å; F52-F69 HydrophobicContact CD2-CG 3.65Å; F52-F69 HydrophobicContact CE2-CB 3.54Å; F52-F69 AromaticContact CE2-CD2 3.73Å; F52-F69 HydrophobicContact CE2-CD2 3.73Å; F52-F69 AromaticContact CE2-CG 3.74Å; F52-F69 HydrophobicContact CE2-CG 3.74Å; F52-F69 HydrophobicContact CG-CG 4.44Å; F52-F69 HydrophobicContact CZ-CB 3.92Å; L66-F69 HydrophobicContact CB-CB 4.46Å; L66-F69 HydrophobicContact CD2-CD1 4.47Å; L66-F69 WeakPolarHBondContact O-CA 3.47Å; L66-F69 VanDerWaalsContact O-CB 3.3Å; L66-F69 WeakPolarHBondContact O-CB 3.23Å; L66-F69 PolarHBondContact O-N 2.83Å; S67-F69 VanDerWaalsContact C-N 3.29Å; S67-F69 PolarHBondContact O-N 3.2Å; F69-D71 VanDerWaalsContact C-N 3.28Å; F69-D71 PolarHBondContact O-N 2.92Å; F69-C72 WeakPolarHBondContact O-CB 3.41Å; F69-C72 PolarHBondContact O-N 3.09Å; F69-I73 HydrophobicContact CD1-CD1 4.03Å; F69-I73 HydrophobicContact CD2-CD1 4.46Å; F69-I73 HydrophobicContact CE1-CD1 3.71Å; F69-I73 HydrophobicContact CE2-CD1 4.17Å; F69-I73 HydrophobicContact CE2-CG1 4.36Å; F69-I73 HydrophobicContact CG-CD1 4.38Å; F69-I73 HydrophobicContact CZ-CD1 3.78Å; F69-I73 HydrophobicContact CZ-CG1 4.39Å; F69-I73 WeakPolarHBondContact O-CG1 3.36Å; F69-I73 PolarHBondContact O-N 3.41Å; F69-L280 HydrophobicContact CD1-CD1 3.97Å; F69-L280 HydrophobicContact CE1-CD1 4.01Å; F69-L280 HydrophobicContact CE1-CD2 4.32Å; F69-L284 HydrophobicContact CE1-CD1 4.15Å
70	V	86.9	Confident	80.8	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-58.5	-41.8	169	176.5	0	0	0	0	110.8	L66 S67 C72 I73 L74 L263 K273 V276 E277 L280	L66-V70 PolarHBondContact O-N 3.42Å; S67-V70 WeakPolarHBondContact O-CB 3.36Å; S67-V70 PolarHBondContact O-N 2.83Å; V70-C72 VanDerWaalsContact C-N 3.29Å; V70-C72 PolarHBondContact O-N 3.36Å; V70-I73 PolarHBondContact O-N 2.85Å; V70-L74 HydrophobicContact CG1-CD1 3.88Å; V70-L74 HydrophobicContact CG1-CG 4.2Å; V70-L74 WeakPolarHBondContact O-CB 3.12Å; V70-L74 VanDerWaalsContact O-CG 3.3Å; V70-L74 WeakPolarHBondContact O-CG 3.41Å; V70-L74 PolarHBondContact O-N 3.17Å; V70-L263 HydrophobicContact CG1-CD1 4.36Å; V70-K273 HydrophobicContact CG1-CG 4.38Å; V70-V276 HydrophobicContact CB-CG1 4.45Å; V70-V276 HydrophobicContact CG1-CB 4.36Å; V70-V276 HydrophobicContact CG1-CG1 3.94Å; V70-V276 HydrophobicContact CG2-CB 4.3Å; V70-V276 HydrophobicContact CG2-CG1 3.72Å; V70-E277 HydrophobicContact CG2-CG 3.77Å; V70-L280 HydrophobicContact CG2-CD1 3.77Å
71	D	85.5	Confident	78.6	Confident	54 Å²	54	59.6 Å²	59.6	29%	0.289	29%	0.285	S	S	.	.	H	α-helix	trans	-68.5	-26.6	179.3	-58.1	-32	0	0	0	113	S67 T68 F69 R75 K273	S67-D71 VanDerWaalsContact O-CG 3.26Å; S67-D71 PolarHBondContact O-N 2.97Å; S67-D71 VanDerWaalsContact O-N 3.11Å; S67-D71 VanDerWaalsContact O-OD2 3.1Å; T68-D71 PolarHBondContact O-N 2.84Å; F69-D71 VanDerWaalsContact C-N 3.28Å; F69-D71 PolarHBondContact O-N 2.92Å; D71-R75 WeakPolarHBondContact O-CG 3.45Å; D71-R75 PolarHBondContact O-N 3.14Å; D71-R75 PolarHBondContact O-NE 3.5Å; D71-K273 IonicContact OD1-NZ 2.98Å; D71-K273 PolarHBondContact OD1-NZ 3.32Å; D71-K273 IonicContact OD2-NZ 3.34Å; D71-K273 PolarHBondContact OD2-NZ 2.72Å
72	C	86.6	Confident	76.4	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-72.2	-45.2	168.2	-178.2	0	0	0	0	112.1	A40 T68 F69 V70 L74 R75 N76	A40-C72 HydrophobicContact CB-CB 3.95Å; A40-C72 WeakPolarHBondContact O-CB 3.39Å; T68-C72 PolarHBondContact O-N 3.1Å; T68-C72 VanDerWaalsContact O-N 3.08Å; F69-C72 WeakPolarHBondContact O-CB 3.41Å; F69-C72 PolarHBondContact O-N 3.09Å; V70-C72 VanDerWaalsContact C-N 3.29Å; V70-C72 PolarHBondContact O-N 3.36Å; C72-L74 VanDerWaalsContact C-N 3.33Å; C72-L74 PolarHBondContact O-N 3.32Å; C72-R75 PolarHBondContact O-N 3.09Å; C72-N76 PolarHBondContact O-N 3.17Å; C72-N76 VanDerWaalsContact O-N 3.08Å; C72-N76 PolarHBondContact O-ND2 3.37Å
73	I	86.1	Confident	74.2	Confident	26 Å²	26	57.2 Å²	57.2	13%	0.133	31%	0.305	C	S	.	.	H	α-helix	trans	-60	-44.4	175.5	-68.8	163.1	0	0	0	110.4	L45 F69 V70 N76 F77 L260 L280	L45-I73 HydrophobicContact CD1-CG1 3.62Å; F69-I73 HydrophobicContact CD1-CD1 4.03Å; F69-I73 HydrophobicContact CD2-CD1 4.46Å; F69-I73 HydrophobicContact CE1-CD1 3.71Å; F69-I73 HydrophobicContact CE2-CD1 4.17Å; F69-I73 HydrophobicContact CE2-CG1 4.36Å; F69-I73 HydrophobicContact CG-CD1 4.38Å; F69-I73 HydrophobicContact CZ-CD1 3.78Å; F69-I73 HydrophobicContact CZ-CG1 4.39Å; F69-I73 WeakPolarHBondContact O-CG1 3.36Å; F69-I73 PolarHBondContact O-N 3.41Å; V70-I73 PolarHBondContact O-N 2.85Å; I73-N76 PolarHBondContact O-N 3.45Å; I73-F77 VanDerWaalsContact O-CB 3.28Å; I73-F77 WeakPolarHBondContact O-CB 3.29Å; I73-F77 PolarHBondContact O-N 3Å; I73-L260 HydrophobicContact CG2-CD1 3.8Å; I73-L260 HydrophobicContact CG2-CD2 3.75Å; I73-L260 HydrophobicContact CG2-CG 4.46Å; I73-L280 HydrophobicContact CD1-CD1 3.4Å; I73-L280 HydrophobicContact CD1-CD2 3.89Å; I73-L280 HydrophobicContact CD1-CG 4.31Å
74	L	85.3	Confident	71.7	Confident	4 Å²	4	61.8 Å²	61.8	2%	0.021	33%	0.334	C	S	.	.	H	α-helix	trans	-63.4	-42.2	178.3	-71.7	171.1	0	0	0	112.5	V70 C72 N76 F77 K78 L260 L263	V70-L74 HydrophobicContact CG1-CD1 3.88Å; V70-L74 HydrophobicContact CG1-CG 4.2Å; V70-L74 WeakPolarHBondContact O-CB 3.12Å; V70-L74 VanDerWaalsContact O-CG 3.3Å; V70-L74 WeakPolarHBondContact O-CG 3.41Å; V70-L74 PolarHBondContact O-N 3.17Å; C72-L74 VanDerWaalsContact C-N 3.33Å; C72-L74 PolarHBondContact O-N 3.32Å; L74-N76 VanDerWaalsContact C-N 3.33Å; L74-N76 PolarHBondContact O-N 2.86Å; L74-F77 PolarHBondContact O-N 2.85Å; L74-K78 VanDerWaalsContact O-CG 3.26Å; L74-K78 WeakPolarHBondContact O-CG 3.34Å; L74-K78 PolarHBondContact O-N 2.9Å; L74-L260 HydrophobicContact CD2-CB 4.36Å; L74-L260 HydrophobicContact CD2-CD2 3.64Å; L74-L260 HydrophobicContact CG-CD2 4.19Å; L74-L263 HydrophobicContact CD1-CB 3.88Å; L74-L263 HydrophobicContact CD1-CD1 4.18Å; L74-L263 HydrophobicContact CD2-CB 3.52Å; L74-L263 HydrophobicContact CD2-CD1 4.3Å; L74-L263 HydrophobicContact CG-CB 4.37Å
75	R	85.8	Confident	69.3	Low	81 Å²	81	66 Å²	66	31%	0.306	35%	0.345	S	S	.	.	H	α-helix	trans	-59.2	-43.6	174.2	-83.4	176.5	-73.9	154.5	-3.1	111.9	A40 T41 D43 D71 C72 K78	A40-R75 PolarHBondContact O-NH2 3.47Å; T41-R75 PolarHBondContact O-NH1 3.36Å; D43-R75 WeakPolarHBondContact OD1-CB 3.42Å; D43-R75 IonicContact OD1-CZ 2.71Å; D43-R75 IonicContact OD1-NE 3.84Å; D43-R75 IonicContact OD1-NH1 3.69Å; D71-R75 WeakPolarHBondContact O-CG 3.45Å; D71-R75 PolarHBondContact O-N 3.14Å; D71-R75 PolarHBondContact O-NE 3.5Å; C72-R75 PolarHBondContact O-N 3.09Å; R75-K78 PolarHBondContact O-N 3.1Å
76	N	81.4	Confident	66.5	Low	44 Å²	44	73.3 Å²	73.3	24%	0.235	37%	0.371	C	S	.	.	H	α-helix	trans	-73.6	-34.6	178	-71.7	-71.7	0	0	0	113.2	D43 L45 C72 I73 L74 K78 K79	D43-N76 PolarHBondContact OD1-ND2 3.13Å; L45-N76 HydrophobicContact CD2-CB 3.92Å; C72-N76 PolarHBondContact O-N 3.17Å; C72-N76 VanDerWaalsContact O-N 3.08Å; C72-N76 PolarHBondContact O-ND2 3.37Å; I73-N76 PolarHBondContact O-N 3.45Å; L74-N76 VanDerWaalsContact C-N 3.33Å; L74-N76 PolarHBondContact O-N 2.86Å; N76-K78 VanDerWaalsContact C-N 3.32Å; N76-K78 PolarHBondContact O-N 3.47Å; N76-K79 WeakPolarHBondContact O-CB 3.42Å; N76-K79 PolarHBondContact O-N 2.91Å; N76-K79 PolarHBondContact OD1-NZ 3.36Å
77	F	81.5	Confident	63.8	Low	79 Å²	79	78.5 Å²	78.5	35%	0.346	41%	0.407	S	S	.	.	H	α-helix	trans	-61.6	-39.4	173.2	-169	-95.5	0	0	0	111.7	I73 L74 K79 K80 L260 H261 T264	I73-F77 VanDerWaalsContact O-CB 3.28Å; I73-F77 WeakPolarHBondContact O-CB 3.29Å; I73-F77 PolarHBondContact O-N 3Å; L74-F77 PolarHBondContact O-N 2.85Å; F77-K79 VanDerWaalsContact C-N 3.28Å; F77-K79 PolarHBondContact O-N 3.16Å; F77-K80 PolarHBondContact O-N 2.92Å; F77-L260 HydrophobicContact CD1-CB 4.32Å; F77-L260 HydrophobicContact CD2-CB 4.2Å; F77-L260 HydrophobicContact CD2-CD1 3.99Å; F77-L260 HydrophobicContact CE1-CB 4.17Å; F77-L260 HydrophobicContact CE2-CB 4.04Å; F77-L260 HydrophobicContact CE2-CD1 4.19Å; F77-L260 HydrophobicContact CG-CB 4.34Å; F77-L260 HydrophobicContact CZ-CB 4.02Å; F77-H261 HydrophobicContact CE1-CB 4.47Å; F77-T264 HydrophobicContact CD1-CG2 3.69Å; F77-T264 HydrophobicContact CE1-CG2 3.97Å
78	K	76.6	Confident	61.2	Low	84 Å²	84	81.6 Å²	81.6	37%	0.365	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-18.1	175.4	-70.9	172.9	-165.7	177.5	0	114.7	L74 R75 N76 K80 T264 E267	L74-K78 VanDerWaalsContact O-CG 3.26Å; L74-K78 WeakPolarHBondContact O-CG 3.34Å; L74-K78 PolarHBondContact O-N 2.9Å; R75-K78 PolarHBondContact O-N 3.1Å; N76-K78 VanDerWaalsContact C-N 3.32Å; N76-K78 PolarHBondContact O-N 3.47Å; K78-K80 VanDerWaalsContact C-N 3.26Å; K78-K80 PolarHBondContact O-N 3.23Å; K78-T264 HydrophobicContact CG-CG2 4.04Å; K78-E267 IonicContact NZ-OE1 2.66Å; K78-E267 PolarHBondContact NZ-OE1 3.3Å; K78-E267 IonicContact NZ-OE2 3.77Å; K78-E267 PolarHBondContact NZ-OE2 3.48Å
79	K	58.6	Low	58.4	Low	130 Å²	130	82.6 Å²	82.6	57%	0.565	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-9	179.6	-69	173	-169	166.6	0	113.9	D43 N76 F77	D43-K79 WeakPolarHBondContact OD2-CE 3.08Å; D43-K79 IonicContact OD2-NZ 3.8Å; D43-K79 PolarHBondContact OD2-NZ 3.47Å; N76-K79 WeakPolarHBondContact O-CB 3.42Å; N76-K79 PolarHBondContact O-N 2.91Å; N76-K79 PolarHBondContact OD1-NZ 3.36Å; F77-K79 VanDerWaalsContact C-N 3.28Å; F77-K79 PolarHBondContact O-N 3.16Å
80	K	43.1	Very low	55.7	Low	133 Å²	133	93.8 Å²	93.8	58%	0.578	50%	0.496	S	S	*	.	S	Bend	trans	-79.1	127.4	175.2	-141.2	165.4	-166.2	166.9	0	109.2	F77 K78 T299	F77-K80 PolarHBondContact O-N 2.92Å; K78-K80 VanDerWaalsContact C-N 3.26Å; K78-K80 PolarHBondContact O-N 3.23Å; K80-T299 PolarHBondContact NZ-O 3.16Å; K80-T299 VanDerWaalsContact NZ-O 3.15Å
81	P	30.9	Very low	52.8	Low	115 Å²	115	98.2 Å²	98.2	75%	0.747	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-68	129.1	-170.8	26	-34.3	0	0	0	111.4
82	P	36.8	Very low	50.4	Low	77 Å²	77	101.7 Å²	101.7	50%	0.5	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-68.3	140.5	166.9	28.9	-32.1	0	0	0	109.6	R85	P82-R85 HydrophobicContact CB-CG 4.36Å; P82-R85 HydrophobicContact CG-CG 4.14Å
83	G	36.4	Very low	47.7	Very low	62 Å²	62	110.1 Å²	110.1	64%	0.639	59%	0.592	S	S	*	*	S	Bend	trans	-54.5	160	164.7	0	0	0	0	0	111.3	R85	G83-R85 PolarHBondContact O-N 3.38Å
84	P	30.8	Very low	45.3	Very low	129 Å²	129	113.6 Å²	113.6	84%	0.838	63%	0.625	S	S	*	*			trans	-48.6	104.5	-157.9	17.1	-32.2	0	0	0	113.1	Y86	P84-Y86 PolarHBondContact O-N 3.46Å; P84-Y86 VanDerWaalsContact O-N 3.17Å
85	R	30	Very low	42.8	Very low	207 Å²	207	118.6 Å²	118.6	78%	0.781	66%	0.655	S	S	*	*			trans	-64	115.7	170.3	-73.2	-177.7	171.9	177.2	-0.5	107.2	P82 G83 S87	P82-R85 HydrophobicContact CB-CG 4.36Å; P82-R85 HydrophobicContact CG-CG 4.14Å; G83-R85 PolarHBondContact O-N 3.38Å; R85-S87 PolarHBondContact O-N 2.92Å
86	Y	28.5	Very low	40.4	Very low	230 Å²	230	123.4 Å²	123.4	90%	0.902	68%	0.681	S	S	*	*			trans	-59.3	104.8	161.3	-89.6	-90.3	0	0	0	107.8	P84 A88	P84-Y86 PolarHBondContact O-N 3.46Å; P84-Y86 VanDerWaalsContact O-N 3.17Å; Y86-A88 PolarHBondContact O-N 2.96Å
87	S	29.9	Very low	38.1	Very low	110 Å²	110	130.9 Å²	130.9	77%	0.769	72%	0.715	S	S	*	*			trans	-67.8	96.4	175.2	51.4	0	0	0	0	108.7	R85 G89	R85-S87 PolarHBondContact O-N 2.92Å; S87-G89 PolarHBondContact O-N 3.38Å
88	A	30.1	Very low	36.1	Very low	101 Å²	101	130 Å²	130	84%	0.835	72%	0.718	S	S	*	*			trans	-71.2	61.7	167.9	0	0	0	0	0	110.2	Y86 R90	Y86-A88 PolarHBondContact O-N 2.96Å; A88-R90 PolarHBondContact O-N 3.31Å; A88-R90 VanDerWaalsContact O-N 3.11Å
89	G	27.1	Very low	34.6	Very low	65 Å²	65	133.7 Å²	133.7	67%	0.67	74%	0.737	S	S	*	*			trans	-63.7	108.5	166.9	0	0	0	0	0	107.9	S87 S91	S87-G89 PolarHBondContact O-N 3.38Å; G89-S91 PolarHBondContact O-N 3.11Å
90	R	30.9	Very low	34.2	Very low	239 Å²	239	132.6 Å²	132.6	90%	0.902	74%	0.737	S	S	*	*			trans	-77.1	91.5	177.7	-172.4	-173.3	-68	-151.5	1.5	108.5	A88	A88-R90 PolarHBondContact O-N 3.31Å; A88-R90 VanDerWaalsContact O-N 3.11Å
91	S	27.2	Very low	34.6	Very low	92 Å²	92	129.9 Å²	129.9	64%	0.643	73%	0.729	S	S	*	*			trans	-59.7	128.5	163.8	47.9	0	0	0	0	109.4	G89 E93	G89-S91 PolarHBondContact O-N 3.11Å; S91-E93 VanDerWaalsContact C-N 3.31Å; S91-E93 PolarHBondContact O-N 3.26Å; S91-E93 VanDerWaalsContact O-N 3.08Å
92	P	35	Very low	36.5	Very low	128 Å²	128	127.2 Å²	127.2	83%	0.831	72%	0.717	S	S	*	*	S	Bend	trans	-86.4	66.3	-177.3	35.7	-35.8	0	0	0	111.4
93	E	29.7	Very low	38.8	Very low	176 Å²	176	124.8 Å²	124.8	82%	0.822	70%	0.7	S	S	*	*			trans	-151	140.9	175.3	-112.9	159.6	-137.4	0	0	111.4	S91	S91-E93 VanDerWaalsContact C-N 3.31Å; S91-E93 PolarHBondContact O-N 3.26Å; S91-E93 VanDerWaalsContact O-N 3.08Å
94	A	35.8	Very low	41.4	Very low	100 Å²	100	122.5 Å²	122.5	83%	0.826	67%	0.672	S	S	*	*			trans	56.7	69.3	171.8	0	0	0	0	0	118.4
95	V	32	Very low	44.2	Very low	108 Å²	108	117.5 Å²	117.5	66%	0.655	64%	0.639	S	S	*	*			trans	-140.7	77.6	147.6	-168.7	0	0	0	0	110.5	S98	V95-S98 VanDerWaalsContact CG1-OG 3.31Å; V95-S98 WeakPolarHBondContact CG1-OG 3.49Å
96	E	35.5	Very low	46.9	Very low	183 Å²	183	107.7 Å²	107.7	86%	0.855	60%	0.602	S	S	*	*			trans	-85.2	167.4	151.4	-65.9	-177.8	161.6	0	0	108.3
97	E	34.7	Very low	49.7	Very low	200 Å²	200	98 Å²	98	94%	0.935	57%	0.567	S	S	*	*	S	Bend	trans	67.3	32.2	177	-50	-168.6	150.7	0	0	119
98	S	38.2	Very low	52.2	Low	61 Å²	61	94.5 Å²	94.5	43%	0.427	54%	0.54	S	S	.	.			trans	-151.2	19.6	166.5	68.4	0	0	0	0	119.4	V95	V95-S98 VanDerWaalsContact CG1-OG 3.31Å; V95-S98 WeakPolarHBondContact CG1-OG 3.49Å
99	E	46.2	Very low	54.4	Low	162 Å²	162	92.2 Å²	92.2	76%	0.757	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-78.8	-20.8	-175.9	-61.3	-154.5	120	0	0	115.3	L101	E99-L101 PolarHBondContact O-N 2.89Å
100	D	49.9	Very low	57	Low	106 Å²	106	95.1 Å²	95.1	57%	0.567	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-59.6	-8.8	-173	-50.6	-35.7	0	0	0	115.7	Q506	D100-Q506 PolarHBondContact OD1-NE2 2.89Å
101	L	51.8	Low	59.4	Low	76 Å²	76	85 Å²	85	40%	0.398	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-94.6	-6.8	-165.9	-57.8	177.2	0	0	0	114.5	E99 N105 C429	E99-L101 PolarHBondContact O-N 2.89Å; L101-N105 PolarHBondContact O-ND2 3.46Å; L101-N105 VanDerWaalsContact O-ND2 3.15Å; L101-C429 HydrophobicContact CD2-CB 4.06Å; L101-C429 WeakPolarHBondContact CD2-SG 3.47Å
102	A	70.2	Confident	62.3	Low	60 Å²	60	81.2 Å²	81.2	50%	0.496	46%	0.456	S	S	.	.	S	Bend	trans	-105.6	-22	-169.9	0	0	0	0	0	115.3	F104 N105	A102-F104 VanDerWaalsContact C-N 3.27Å; A102-F104 PolarHBondContact O-N 3.31Å; A102-F104 VanDerWaalsContact O-N 3.16Å; A102-N105 WeakPolarHBondContact O-CB 3.39Å; A102-N105 PolarHBondContact O-N 3.3Å
103	V	86.1	Confident	64.9	Low	25 Å²	25	75.2 Å²	75.2	15%	0.152	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-31.3	-165.4	-173.6	0	0	0	0	113.6	N105 V499 V502 L503	V103-N105 VanDerWaalsContact C-N 3.35Å; V103-V499 HydrophobicContact CG1-CG1 3.93Å; V103-V502 HydrophobicContact CG1-CG1 4.31Å; V103-V502 HydrophobicContact CG2-CG1 3.76Å; V103-L503 HydrophobicContact CG1-CD1 4.42Å; V103-L503 HydrophobicContact CG1-CD2 3.85Å; V103-L503 HydrophobicContact CG1-CG 3.81Å
104	F	89.7	Confident	67.6	Low	14 Å²	14	67.3 Å²	67.3	6%	0.061	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	8.4	179	-56.2	-60.4	0	0	0	114.9	A102 L113 L159 W162 F163 R430 V432 L503	A102-F104 VanDerWaalsContact C-N 3.27Å; A102-F104 PolarHBondContact O-N 3.31Å; A102-F104 VanDerWaalsContact O-N 3.16Å; F104-L113 WeakPolarHBondContact O-CB 3.33Å; F104-L113 PolarHBondContact O-N 3.11Å; F104-L159 HydrophobicContact CD1-CD2 3.74Å; F104-L159 HydrophobicContact CE1-CD2 4.23Å; F104-W162 AromaticContact CE1-CE3 3.92Å; F104-W162 HydrophobicContact CE1-CE3 3.92Å; F104-W162 AromaticContact CE1-CZ3 3.87Å; F104-W162 HydrophobicContact CE1-CZ3 3.87Å; F104-W162 HydrophobicContact CZ-CE3 4.1Å; F104-W162 HydrophobicContact CZ-CZ3 4.02Å; F104-F163 AromaticContact CD1-CE2 3.79Å; F104-F163 HydrophobicContact CD1-CE2 3.79Å; F104-F163 AromaticContact CD2-CE2 3.93Å; F104-F163 HydrophobicContact CD2-CE2 3.93Å; F104-F163 AromaticContact CD2-CZ 3.83Å; F104-F163 HydrophobicContact CD2-CZ 3.83Å; F104-F163 AromaticContact CE1-CE2 3.85Å; F104-F163 HydrophobicContact CE1-CE2 3.85Å; F104-F163 HydrophobicContact CE2-CE2 4Å; F104-F163 AromaticContact CE2-CZ 3.84Å; F104-F163 HydrophobicContact CE2-CZ 3.84Å; F104-F163 AromaticContact CG-CE2 3.82Å; F104-F163 HydrophobicContact CG-CE2 3.82Å; F104-F163 HydrophobicContact CG-CZ 4.17Å; F104-F163 AromaticContact CZ-CE2 3.96Å; F104-F163 HydrophobicContact CZ-CE2 3.96Å; F104-F163 HydrophobicContact CZ-CZ 4.18Å; F104-R430 HydrophobicContact CB-CB 4.46Å; F104-R430 HydrophobicContact CD2-CB 4.12Å; F104-R430 WeakPolarHBondContact CD2-O 3.14Å; F104-V432 HydrophobicContact CE1-CG2 4.38Å; F104-V432 HydrophobicContact CE2-CG2 3.76Å; F104-V432 HydrophobicContact CZ-CG2 3.4Å; F104-V432 VanDerWaalsContact CZ-CG2 3.4Å; F104-L503 HydrophobicContact CE1-CD1 4.04Å; F104-L503 HydrophobicContact CE1-CD2 3.54Å; F104-L503 HydrophobicContact CE1-CG 4.42Å; F104-L503 HydrophobicContact CE2-CD2 4.37Å; F104-L503 HydrophobicContact CZ-CD2 3.4Å; F104-L503 VanDerWaalsContact CZ-CD2 3.4Å
105	N	89.4	Confident	70.2	Confident	25 Å²	25	65.2 Å²	65.2	13%	0.134	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-110.5	136.4	-175.8	-54.2	-34.5	0	0	0	110.9	L101 A102 V103 P107 G111 R430	L101-N105 PolarHBondContact O-ND2 3.46Å; L101-N105 VanDerWaalsContact O-ND2 3.15Å; A102-N105 WeakPolarHBondContact O-CB 3.39Å; A102-N105 PolarHBondContact O-N 3.3Å; V103-N105 VanDerWaalsContact C-N 3.35Å; N105-P107 WeakPolarHBondContact O-CD 3.42Å; N105-G111 CarbonylContact C-O 3.52Å; N105-G111 WeakPolarHBondContact CA-O 3.12Å; N105-R430 PolarHBondContact OD1-NH1 3Å
106	C	88.1	Confident	73.2	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.324	C	S	.	.			trans	-66	124.7	174.8	175.6	0	0	0	0	110.8	N108 C109 Q110 G111 L113 C126 C129	C106-N108 PolarHBondContact O-N 3.09Å; C106-C109 PolarHBondContact O-N 3.18Å; C106-Q110 VanDerWaalsContact O-CA 3.32Å; C106-Q110 WeakPolarHBondContact O-CA 3.48Å; C106-Q110 PolarHBondContact O-N 3.17Å; C106-G111 PolarHBondContact N-O 3.08Å; C106-L113 HydrophobicContact CB-CD1 3.94Å; C106-C126 HydrophobicContact CB-CB 4.14Å; C106-C126 PolarHBondContact SG-N 3.09Å; C106-C126 VanDerWaalsContact SG-N 3.39Å; C106-C126 PolarHBondContact SG-SG 3.34Å; C106-C129 VanDerWaalsContact SG-SG 3.67Å
107	P	86.6	Confident	76	Confident	27 Å²	27	51.5 Å²	51.5	18%	0.175	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.9	-176.7	-25.6	34	0	0	0	114.4	N105 Q110 S124 Y125 L140	N105-P107 WeakPolarHBondContact O-CD 3.42Å; P107-Q110 PolarHBondContact O-NE2 3.19Å; P107-S124 WeakPolarHBondContact CD-O 3.24Å; P107-Y125 HydrophobicContact CB-CD1 4.41Å; P107-Y125 HydrophobicContact CB-CE1 3.78Å; P107-Y125 HydrophobicContact CG-CD1 4.44Å; P107-Y125 HydrophobicContact CG-CE1 4.11Å; P107-L140 HydrophobicContact CB-CD1 3.84Å; P107-L140 HydrophobicContact CB-CD2 4.36Å; P107-L140 HydrophobicContact CB-CG 4Å; P107-L140 HydrophobicContact CG-CD1 3.59Å; P107-L140 HydrophobicContact CG-CG 4.3Å
108	N	81.6	Confident	78.9	Confident	36 Å²	36	43 Å²	43	19%	0.193	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-42	-179.9	-169.7	71.6	0	0	0	113.9	C106 Y125 C129 R139	C106-N108 PolarHBondContact O-N 3.09Å; N108-Y125 HydrophobicContact CB-CD1 3.9Å; N108-Y125 HydrophobicContact CB-CE1 3.99Å; N108-C129 HydrophobicContact CB-CB 4.18Å; N108-R139 PolarHBondContact OD1-NE 3.26Å; N108-R139 VanDerWaalsContact OD1-NE 3.11Å
109	C	77.7	Confident	81.5	Confident	53 Å²	53	40.2 Å²	40.2	36%	0.358	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-3.3	-176.3	74.3	0	0	0	0	115.3	C106 G111 C129	C106-C109 PolarHBondContact O-N 3.18Å; C109-G111 PolarHBondContact O-N 3.46Å; C109-C129 VanDerWaalsContact CB-SG 3.59Å
110	Q	80.6	Confident	83.6	Confident	127 Å²	127	36 Å²	36	59%	0.593	22%	0.219	S	C	*	.			trans	57.7	1.9	179.4	-57.5	-65.3	-41.6	0	0	116.1	C106 P107	C106-Q110 VanDerWaalsContact O-CA 3.32Å; C106-Q110 WeakPolarHBondContact O-CA 3.48Å; C106-Q110 PolarHBondContact O-N 3.17Å; P107-Q110 PolarHBondContact O-NE2 3.19Å
111	G	81	Confident	85.6	Confident	27 Å²	27	31.7 Å²	31.7	28%	0.278	20%	0.197	S	C	.	.	S	Bend	trans	-87.8	174.8	168.8	0	0	0	0	0	112.7	N105 C106 C109	N105-G111 CarbonylContact C-O 3.52Å; N105-G111 WeakPolarHBondContact CA-O 3.12Å; C106-G111 PolarHBondContact N-O 3.08Å; C109-G111 PolarHBondContact O-N 3.46Å
112	F	87.9	Confident	87.6	Confident	12 Å²	12	28.1 Å²	28.1	5%	0.053	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-51.3	137.6	-177.3	-175.2	-125.8	0	0	0	113.7	G114 L159 F163 E166 L170	F112-G114 PolarHBondContact O-N 3.44Å; F112-L159 HydrophobicContact CE2-CD2 3.88Å; F112-L159 HydrophobicContact CZ-CB 4Å; F112-L159 HydrophobicContact CZ-CD1 4.41Å; F112-L159 HydrophobicContact CZ-CD2 4.01Å; F112-L159 HydrophobicContact CZ-CG 4.36Å; F112-F163 HydrophobicContact CE1-CB 4.44Å; F112-F163 HydrophobicContact CE2-CB 3.92Å; F112-F163 AromaticContact CE2-CD2 3.71Å; F112-F163 HydrophobicContact CE2-CD2 3.71Å; F112-F163 HydrophobicContact CE2-CE2 4.48Å; F112-F163 AromaticContact CE2-CG 3.96Å; F112-F163 HydrophobicContact CE2-CG 3.96Å; F112-F163 HydrophobicContact CZ-CB 3.62Å; F112-F163 HydrophobicContact CZ-CD2 4.03Å; F112-F163 HydrophobicContact CZ-CG 4.14Å; F112-E166 HydrophobicContact CD1-CB 3.56Å; F112-E166 HydrophobicContact CD2-CB 4.4Å; F112-E166 HydrophobicContact CE1-CB 3.64Å; F112-E166 HydrophobicContact CE2-CB 4.44Å; F112-E166 HydrophobicContact CG-CB 3.99Å; F112-E166 HydrophobicContact CZ-CB 4.1Å; F112-L170 HydrophobicContact CD1-CD1 3.59Å; F112-L170 HydrophobicContact CD1-CG 4.3Å; F112-L170 HydrophobicContact CE1-CD1 4.33Å; F112-L170 HydrophobicContact CG-CD1 4.49Å
113	L	89.6	Confident	88.7	Confident	2 Å²	2	26.9 Å²	26.9	1%	0.01	16%	0.162	C	C	.	.			trans	-76.4	49	-174.3	-165.3	76.3	0	0	0	113.5	F104 C106 P116 L159 V499	F104-L113 WeakPolarHBondContact O-CB 3.33Å; F104-L113 PolarHBondContact O-N 3.11Å; C106-L113 HydrophobicContact CB-CD1 3.94Å; L113-P116 HydrophobicContact CD2-CB 3.94Å; L113-P116 HydrophobicContact CG-CB 4Å; L113-P116 VanDerWaalsContact O-CD 3.32Å; L113-P116 WeakPolarHBondContact O-CD 3.34Å; L113-L159 HydrophobicContact CB-CD1 4.24Å; L113-L159 WeakPolarHBondContact O-CD1 3.38Å; L113-V499 HydrophobicContact CD2-CG1 4.36Å; L113-V499 HydrophobicContact CD2-CG2 4.5Å
114	G	87.6	Confident	89.1	Confident	10 Å²	10	25.9 Å²	25.9	10%	0.103	16%	0.157	C	C	.	.			trans	-70.2	143.4	-178.1	0	0	0	0	0	114.2	F112 C126 L170	F112-G114 PolarHBondContact O-N 3.44Å; G114-C126 WeakPolarHBondContact O-CA 3.49Å; G114-C126 WeakPolarHBondContact O-CB 3.34Å; G114-L170 VanDerWaalsContact CA-CD1 3.45Å
115	E	90.7	Very high	89.3	Confident	56 Å²	56	25.2 Å²	25.2	26%	0.262	15%	0.154	S	C	.	.	S	Bend	trans	43.6	64.3	-165	-65.3	-172.9	92.5	0	0	110.7	V117 K127 Q174	E115-V117 PolarHBondContact O-N 3.2Å; E115-K127 HydrophobicContact CB-CB 3.72Å; E115-K127 HydrophobicContact CB-CD 3.87Å; E115-K127 HydrophobicContact CG-CD 4.39Å; E115-K127 VanDerWaalsContact O-CB 3.25Å; E115-K127 WeakPolarHBondContact O-CB 3.48Å; E115-K127 PolarHBondContact O-N 2.96Å; E115-K127 WeakPolarHBondContact OE1-CD 3.49Å; E115-K127 IonicContact OE1-NZ 3.51Å; E115-K127 PolarHBondContact OE1-NZ 3.36Å; E115-K127 IonicContact OE2-NZ 3.04Å; E115-Q174 PolarHBondContact OE2-NE2 2.65Å
116	P	94.6	Very high	89.3	Confident	1 Å²	1	24.3 Å²	24.3	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	128.8	-178.9	24.4	-34.5	0	0	0	110.1	L113 Y125 A151 N152 L155 L159	L113-P116 HydrophobicContact CD2-CB 3.94Å; L113-P116 HydrophobicContact CG-CB 4Å; L113-P116 VanDerWaalsContact O-CD 3.32Å; L113-P116 WeakPolarHBondContact O-CD 3.34Å; P116-Y125 CarbonylContact C-O 3.53Å; P116-Y125 WeakPolarHBondContact CA-O 3.36Å; P116-A151 CarbonylContact O-C 3.58Å; P116-A151 VanDerWaalsContact O-CA 3.24Å; P116-A151 WeakPolarHBondContact O-CA 3.46Å; P116-N152 PolarHBondContact O-N 3.21Å; P116-L155 HydrophobicContact CB-CB 3.87Å; P116-L155 HydrophobicContact CB-CD1 4.09Å; P116-L155 HydrophobicContact CG-CB 3.37Å; P116-L159 HydrophobicContact CB-CD1 4.48Å; P116-L159 HydrophobicContact CG-CD1 3.97Å
117	V	94.4	Very high	89.3	Confident	2 Å²	2	27.3 Å²	27.3	1%	0.012	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	126.7	173.2	174.5	0	0	0	0	107.1	E115 S124 Y125 K127 L130 E149 A151	E115-V117 PolarHBondContact O-N 3.2Å; V117-S124 CarbonylContact O-C 3.55Å; V117-S124 WeakPolarHBondContact O-CA 3.48Å; V117-Y125 PolarHBondContact N-O 3.36Å; V117-Y125 PolarHBondContact O-N 2.97Å; V117-K127 HydrophobicContact CG2-CB 3.78Å; V117-K127 HydrophobicContact CG2-CG 4.24Å; V117-L130 HydrophobicContact CB-CD1 3.59Å; V117-L130 HydrophobicContact CG1-CD1 3.43Å; V117-L130 VanDerWaalsContact CG1-CD1 3.43Å; V117-L130 HydrophobicContact CG2-CD1 4.34Å; V117-E149 HydrophobicContact CG1-CB 3.39Å; V117-A151 HydrophobicContact CG2-CB 4.36Å
118	T	94.4	Very high	89.1	Confident	20 Å²	20	29 Å²	29	12%	0.123	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	116.7	179.7	-55.7	0	0	0	0	109.2	H123 S124 N152 T497	T118-H123 CarbonylContact C-O 3.56Å; T118-H123 WeakPolarHBondContact CA-O 3.5Å; T118-S124 PolarHBondContact OG1-OG 2.91Å; T118-N152 PolarHBondContact OG1-ND2 2.91Å; T118-T497 HydrophobicContact CG2-CG2 3.79Å
119	V	92.6	Very high	89.1	Confident	4 Å²	4	27.5 Å²	27.5	2%	0.024	16%	0.158	C	C	.	.			trans	-78.7	163	-178.8	-46.9	0	0	0	0	110.7	C121 G122 H123 Y125 L130 V145 E149	V119-C121 WeakPolarHBondContact CG2-SG 3.42Å; V119-C121 PolarHBondContact O-N 3.1Å; V119-G122 PolarHBondContact O-N 3.29Å; V119-H123 HydrophobicContact CG2-CB 4.25Å; V119-H123 WeakPolarHBondContact CG2-O 3.46Å; V119-H123 PolarHBondContact N-O 3.37Å; V119-Y125 HydrophobicContact CG1-CD2 3.7Å; V119-Y125 HydrophobicContact CG1-CE2 4.07Å; V119-Y125 HydrophobicContact CG2-CE2 4.32Å; V119-L130 HydrophobicContact CG1-CD1 4.23Å; V119-L130 HydrophobicContact CG1-CD2 4.24Å; V119-V145 HydrophobicContact CB-CG1 4.27Å; V119-V145 HydrophobicContact CB-CG2 4.07Å; V119-V145 HydrophobicContact CG1-CG1 3.87Å; V119-V145 HydrophobicContact CG1-CG2 4.15Å; V119-V145 HydrophobicContact CG2-CG2 4.03Å; V119-E149 VanDerWaalsContact CA-OE1 3.28Å; V119-E149 WeakPolarHBondContact CA-OE1 3.37Å; V119-E149 WeakPolarHBondContact CB-OE1 3.24Å; V119-E149 WeakPolarHBondContact CG1-OE2 3.34Å
120	A	91	Very high	89.4	Confident	72 Å²	72	26.3 Å²	26.3	60%	0.595	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-22.4	-176.3	0	0	0	0	0	115.9	I495	A120-I495 WeakPolarHBondContact O-CG1 3.4Å
121	C	92.4	Very high	89.2	Confident	17 Å²	17	26.6 Å²	26.6	12%	0.115	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	27.9	174.6	71.2	0	0	0	0	114.3	V119 H123 C138 C141 E143	V119-C121 WeakPolarHBondContact CG2-SG 3.42Å; V119-C121 PolarHBondContact O-N 3.1Å; C121-H123 PolarHBondContact O-N 3.07Å; C121-H123 PolarHBondContact O-ND1 3.19Å; C121-C138 VanDerWaalsContact SG-SG 3.68Å; C121-C141 PolarHBondContact SG-SG 3.09Å; C121-E143 HydrophobicContact CB-CB 3.79Å; C121-E143 HydrophobicContact CB-CG 3.99Å
122	G	93.5	Very high	88.6	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.01	16%	0.159	C	C	.	.	S	Bend	trans	76.4	-15.9	170.5	0	0	0	0	0	116.8	V119 V496 T497 N498	V119-G122 PolarHBondContact O-N 3.29Å; G122-V496 WeakPolarHBondContact CA-O 3.29Å; G122-T497 CarbonylContact O-C 3.53Å; G122-T497 WeakPolarHBondContact O-CA 3.26Å; G122-N498 PolarHBondContact O-N 3.08Å
123	H	94.2	Very high	87.2	Confident	33 Å²	33	34.2 Å²	34.2	15%	0.153	18%	0.179	C	C	.	.			trans	-77.2	153.4	178.3	-67.9	92	0	0	0	111.4	T118 V119 C121 Y125 L140 N498	T118-H123 CarbonylContact C-O 3.56Å; T118-H123 WeakPolarHBondContact CA-O 3.5Å; V119-H123 HydrophobicContact CG2-CB 4.25Å; V119-H123 WeakPolarHBondContact CG2-O 3.46Å; V119-H123 PolarHBondContact N-O 3.37Å; C121-H123 PolarHBondContact O-N 3.07Å; C121-H123 PolarHBondContact O-ND1 3.19Å; H123-Y125 HydrophobicContact CB-CE2 4.22Å; H123-L140 WeakPolarHBondContact CD2-CD1 3.46Å; H123-N498 PolarHBondContact CE1-ND2 3.14Å; H123-N498 VanDerWaalsContact CE1-ND2 3.28Å; H123-N498 PolarHBondContact NE2-ND2 3.1Å
124	S	94.4	Very high	85.9	Confident	4 Å²	4	40.1 Å²	40.1	3%	0.028	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	142	178.9	-57.2	0	0	0	0	112.7	P107 V117 T118	P107-S124 WeakPolarHBondContact CD-O 3.24Å; V117-S124 CarbonylContact O-C 3.55Å; V117-S124 WeakPolarHBondContact O-CA 3.48Å; T118-S124 PolarHBondContact OG1-OG 2.91Å
125	Y	92.6	Very high	85.2	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	156.6	178.7	-67.2	-98.7	0	0	0	109.4	P107 N108 P116 V117 V119 H123 K127 L130 C138 R139	P107-Y125 HydrophobicContact CB-CD1 4.41Å; P107-Y125 HydrophobicContact CB-CE1 3.78Å; P107-Y125 HydrophobicContact CG-CD1 4.44Å; P107-Y125 HydrophobicContact CG-CE1 4.11Å; N108-Y125 HydrophobicContact CB-CD1 3.9Å; N108-Y125 HydrophobicContact CB-CE1 3.99Å; P116-Y125 CarbonylContact C-O 3.53Å; P116-Y125 WeakPolarHBondContact CA-O 3.36Å; V117-Y125 PolarHBondContact N-O 3.36Å; V117-Y125 PolarHBondContact O-N 2.97Å; V119-Y125 HydrophobicContact CG1-CD2 3.7Å; V119-Y125 HydrophobicContact CG1-CE2 4.07Å; V119-Y125 HydrophobicContact CG2-CE2 4.32Å; H123-Y125 HydrophobicContact CB-CE2 4.22Å; Y125-K127 PolarHBondContact O-N 3.01Å; Y125-L130 HydrophobicContact CD2-CD2 4.2Å; Y125-L130 HydrophobicContact CG-CD2 3.98Å; Y125-C138 WeakPolarHBondContact OH-CA 3.47Å; Y125-C138 PolarHBondContact OH-SG 3.32Å; Y125-R139 HydrophobicContact CE1-CG 4.43Å; Y125-R139 PolarHBondContact OH-N 3.23Å
126	C	89.9	Confident	84.6	Confident	7 Å²	7	42.4 Å²	42.4	5%	0.047	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	133.1	167.4	63.6	0	0	0	0	109.5	C106 G114 R128 C129	C106-C126 HydrophobicContact CB-CB 4.14Å; C106-C126 PolarHBondContact SG-N 3.09Å; C106-C126 VanDerWaalsContact SG-N 3.39Å; C106-C126 PolarHBondContact SG-SG 3.34Å; G114-C126 WeakPolarHBondContact O-CA 3.49Å; G114-C126 WeakPolarHBondContact O-CB 3.34Å; C126-R128 PolarHBondContact O-N 2.85Å; C126-C129 WeakPolarHBondContact O-CB 3.39Å; C126-C129 PolarHBondContact O-N 2.74Å; C126-C129 PolarHBondContact SG-SG 3.21Å
127	K	87.7	Confident	84.2	Confident	63 Å²	63	47.7 Å²	47.7	27%	0.274	25%	0.248	S	C	.	.	H	α-helix	trans	-43.3	-41.3	-178	178	175.5	166	-171.4	0	113.7	E115 V117 Y125 C129 L130 Q131	E115-K127 HydrophobicContact CB-CB 3.72Å; E115-K127 HydrophobicContact CB-CD 3.87Å; E115-K127 HydrophobicContact CG-CD 4.39Å; E115-K127 VanDerWaalsContact O-CB 3.25Å; E115-K127 WeakPolarHBondContact O-CB 3.48Å; E115-K127 PolarHBondContact O-N 2.96Å; E115-K127 WeakPolarHBondContact OE1-CD 3.49Å; E115-K127 IonicContact OE1-NZ 3.51Å; E115-K127 PolarHBondContact OE1-NZ 3.36Å; E115-K127 IonicContact OE2-NZ 3.04Å; V117-K127 HydrophobicContact CG2-CB 3.78Å; V117-K127 HydrophobicContact CG2-CG 4.24Å; Y125-K127 PolarHBondContact O-N 3.01Å; K127-C129 VanDerWaalsContact C-N 3.33Å; K127-C129 PolarHBondContact O-N 2.82Å; K127-L130 PolarHBondContact O-N 2.97Å; K127-Q131 HydrophobicContact CG-CG 4.31Å; K127-Q131 WeakPolarHBondContact O-CB 3.47Å; K127-Q131 WeakPolarHBondContact O-CG 3.48Å; K127-Q131 PolarHBondContact O-N 3.09Å
128	R	82.6	Confident	83.9	Confident	63 Å²	63	47.8 Å²	47.8	24%	0.238	25%	0.249	C	C	.	.	H	α-helix	trans	-59.3	-37	177.6	-170.8	-174.2	65.3	176.7	-4.6	113.8	C126 R132 E177 L204	C126-R128 PolarHBondContact O-N 2.85Å; R128-R132 WeakPolarHBondContact O-CB 3.49Å; R128-R132 PolarHBondContact O-N 2.71Å; R128-E177 VanDerWaalsContact CD-OE1 3.23Å; R128-E177 WeakPolarHBondContact CD-OE1 3.3Å; R128-E177 IonicContact CZ-OE1 2.86Å; R128-E177 IonicContact NE-OE1 2.72Å; R128-E177 IonicContact NH1-OE1 3.25Å; R128-E177 PolarHBondContact NH1-OE1 3.47Å; R128-L204 VanDerWaalsContact NH1-CD1 3.27Å
129	C	82.2	Confident	83.5	Confident	4 Å²	4	54.2 Å²	54.2	3%	0.027	27%	0.271	C	S	.	.	H	α-helix	trans	-67.3	-44.3	177.6	-77.9	0	0	0	0	111.5	C106 N108 C109 C126 K127 C133	C106-C129 VanDerWaalsContact SG-SG 3.67Å; N108-C129 HydrophobicContact CB-CB 4.18Å; C109-C129 VanDerWaalsContact CB-SG 3.59Å; C126-C129 WeakPolarHBondContact O-CB 3.39Å; C126-C129 PolarHBondContact O-N 2.74Å; C126-C129 PolarHBondContact SG-SG 3.21Å; K127-C129 VanDerWaalsContact C-N 3.33Å; K127-C129 PolarHBondContact O-N 2.82Å; C129-C133 WeakPolarHBondContact O-CA 3.37Å; C129-C133 VanDerWaalsContact O-CB 3.23Å; C129-C133 WeakPolarHBondContact O-CB 3.13Å; C129-C133 PolarHBondContact O-N 2.72Å
130	L	82.7	Confident	83.3	Confident	27 Å²	27	59 Å²	59	14%	0.141	30%	0.296	C	S	.	.	H	α-helix	trans	-63.7	-45.6	177.4	-58.4	178.1	0	0	0	110.8	V117 V119 Y125 K127 R132 V135 V145 E149	V117-L130 HydrophobicContact CB-CD1 3.59Å; V117-L130 HydrophobicContact CG1-CD1 3.43Å; V117-L130 VanDerWaalsContact CG1-CD1 3.43Å; V117-L130 HydrophobicContact CG2-CD1 4.34Å; V119-L130 HydrophobicContact CG1-CD1 4.23Å; V119-L130 HydrophobicContact CG1-CD2 4.24Å; Y125-L130 HydrophobicContact CD2-CD2 4.2Å; Y125-L130 HydrophobicContact CG-CD2 3.98Å; K127-L130 PolarHBondContact O-N 2.97Å; L130-R132 PolarHBondContact O-N 2.76Å; L130-V135 HydrophobicContact CD2-CB 3.97Å; L130-V135 HydrophobicContact CD2-CG1 4.4Å; L130-V135 HydrophobicContact CD2-CG2 4.2Å; L130-V145 HydrophobicContact CD2-CG1 4.09Å; L130-E149 WeakPolarHBondContact CD1-OE2 3.37Å
131	Q	77.9	Confident	83.3	Confident	133 Å²	133	58.3 Å²	58.3	62%	0.621	29%	0.286	S	S	*	.	H	α-helix	trans	-68.5	-27	-178.8	-72.3	-176.3	-27.6	0	0	115.1	K127	K127-Q131 HydrophobicContact CG-CG 4.31Å; K127-Q131 WeakPolarHBondContact O-CB 3.47Å; K127-Q131 WeakPolarHBondContact O-CG 3.48Å; K127-Q131 PolarHBondContact O-N 3.09Å
132	R	67	Low	83.1	Confident	130 Å²	130	63 Å²	63	49%	0.491	31%	0.31	S	S	.	.	H	α-helix	trans	-113.3	-35	-176.4	-67	-157.4	-169.1	133.2	17.8	115.9	R128 L130 L134 E177	R128-R132 WeakPolarHBondContact O-CB 3.49Å; R128-R132 PolarHBondContact O-N 2.71Å; L130-R132 PolarHBondContact O-N 2.76Å; R132-L134 VanDerWaalsContact C-N 3.26Å; R132-L134 PolarHBondContact O-N 2.92Å; R132-E177 IonicContact CZ-OE1 2.75Å; R132-E177 IonicContact CZ-OE2 2.7Å; R132-E177 IonicContact NH1-OE1 3.55Å; R132-E177 PolarHBondContact NH1-OE1 2.8Å; R132-E177 IonicContact NH1-OE2 2.62Å; R132-E177 PolarHBondContact NH1-OE2 2.85Å; R132-E177 IonicContact NH2-OE1 2.67Å; R132-E177 IonicContact NH2-OE2 3.7Å; R132-E177 PolarHBondContact NH2-OE2 2.84Å
133	C	59.6	Low	82.9	Confident	70 Å²	70	67.3 Å²	67.3	47%	0.473	33%	0.329	S	S	.	.	H	α-helix	trans	-88.4	4.5	-176.6	-55.7	0	0	0	0	112.6	C129 V135	C129-C133 WeakPolarHBondContact O-CA 3.37Å; C129-C133 VanDerWaalsContact O-CB 3.23Å; C129-C133 WeakPolarHBondContact O-CB 3.13Å; C129-C133 PolarHBondContact O-N 2.72Å; C133-V135 VanDerWaalsContact C-N 3.26Å; C133-V135 HydrophobicContact CB-CG2 4.03Å; C133-V135 PolarHBondContact O-N 2.79Å
134	L	62.9	Low	82.4	Confident	125 Å²	125	70.1 Å²	70.1	65%	0.654	35%	0.351	S	S	*	.			trans	38.9	57.6	-175.9	-63.4	177.7	0	0	0	111.1	R132 T136	R132-L134 VanDerWaalsContact C-N 3.26Å; R132-L134 PolarHBondContact O-N 2.92Å; L134-T136 VanDerWaalsContact C-N 3.33Å; L134-T136 WeakPolarHBondContact O-CG2 3.36Å; L134-T136 PolarHBondContact O-N 3.3Å
135	V	71.1	Confident	81.9	Confident	11 Å²	11	71 Å²	71	7%	0.067	36%	0.356	C	S	.	.			trans	-65.3	93.5	-175.3	-179	0	0	0	0	108.3	L130 C133 K137 V145	L130-V135 HydrophobicContact CD2-CB 3.97Å; L130-V135 HydrophobicContact CD2-CG1 4.4Å; L130-V135 HydrophobicContact CD2-CG2 4.2Å; C133-V135 VanDerWaalsContact C-N 3.26Å; C133-V135 HydrophobicContact CB-CG2 4.03Å; C133-V135 PolarHBondContact O-N 2.79Å; V135-K137 VanDerWaalsContact C-N 3.33Å; V135-K137 VanDerWaalsContact CG1-O 3.24Å; V135-K137 WeakPolarHBondContact CG1-O 3.3Å; V135-V145 VanDerWaalsContact O-CB 3.28Å; V135-V145 WeakPolarHBondContact O-CB 3.37Å; V135-V145 WeakPolarHBondContact O-CG1 3.22Å
136	T	78.4	Confident	80.9	Confident	103 Å²	103	73.9 Å²	73.9	63%	0.632	39%	0.386	S	S	*	.			trans	-77	-21.9	-178.2	52.9	0	0	0	0	112.8	L134 P144 V145	L134-T136 VanDerWaalsContact C-N 3.33Å; L134-T136 WeakPolarHBondContact O-CG2 3.36Å; L134-T136 PolarHBondContact O-N 3.3Å; T136-P144 WeakPolarHBondContact O-CA 3.44Å; T136-V145 PolarHBondContact O-N 3.14Å
137	K	85.7	Confident	79.7	Confident	113 Å²	113	76.8 Å²	76.8	49%	0.491	42%	0.417	S	S	.	.	B	Isolated β-bridge	trans	-141.6	143.8	179.3	-60.5	-175.8	-172.6	176.3	0	111.3	V135 R139 N142 E143	V135-K137 VanDerWaalsContact C-N 3.33Å; V135-K137 VanDerWaalsContact CG1-O 3.24Å; V135-K137 WeakPolarHBondContact CG1-O 3.3Å; K137-R139 PolarHBondContact O-N 2.91Å; K137-N142 VanDerWaalsContact CD-OD1 3.31Å; K137-N142 WeakPolarHBondContact CD-OD1 3.42Å; K137-E143 CarbonylContact C-O 3.59Å; K137-E143 VanDerWaalsContact CA-O 3.3Å; K137-E143 WeakPolarHBondContact CA-O 3.26Å
138	C	88.6	Confident	78.8	Confident	3 Å²	3	82.2 Å²	82.2	2%	0.02	44%	0.443	C	S	.	.			trans	-64.8	123.8	177.5	-179.3	0	0	0	0	110.8	C121 Y125 L140 C141 N142 E143 V145	C121-C138 VanDerWaalsContact SG-SG 3.68Å; Y125-C138 WeakPolarHBondContact OH-CA 3.47Å; Y125-C138 PolarHBondContact OH-SG 3.32Å; C138-L140 PolarHBondContact O-N 3.12Å; C138-C141 PolarHBondContact O-N 2.6Å; C138-N142 VanDerWaalsContact O-CA 3.26Å; C138-N142 WeakPolarHBondContact O-CA 3.4Å; C138-N142 PolarHBondContact O-N 3.34Å; C138-E143 PolarHBondContact N-O 3.28Å; C138-V145 HydrophobicContact CB-CG2 4.05Å
139	R	86.4	Confident	78.4	Confident	156 Å²	156	81.3 Å²	81.3	59%	0.589	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-11.5	178.3	-61.9	-65.5	-167.6	-172.6	-0.5	114.2	N108 Y125 K137	N108-R139 PolarHBondContact OD1-NE 3.26Å; N108-R139 VanDerWaalsContact OD1-NE 3.11Å; Y125-R139 HydrophobicContact CE1-CG 4.43Å; Y125-R139 PolarHBondContact OH-N 3.23Å; K137-R139 PolarHBondContact O-N 2.91Å
140	L	88.7	Confident	78.9	Confident	105 Å²	105	85 Å²	85	55%	0.55	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-30	-175.8	-63.6	175.3	0	0	0	114.2	P107 H123 C138	P107-L140 HydrophobicContact CB-CD1 3.84Å; P107-L140 HydrophobicContact CB-CD2 4.36Å; P107-L140 HydrophobicContact CB-CG 4Å; P107-L140 HydrophobicContact CG-CD1 3.59Å; P107-L140 HydrophobicContact CG-CG 4.3Å; H123-L140 WeakPolarHBondContact CD2-CD1 3.46Å; C138-L140 PolarHBondContact O-N 3.12Å
141	C	91.3	Very high	79.4	Confident	56 Å²	56	85 Å²	85	38%	0.378	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.8	3.6	-179.6	62.1	0	0	0	0	115	C121 C138 E143	C121-C141 PolarHBondContact SG-SG 3.09Å; C138-C141 PolarHBondContact O-N 2.6Å; C141-E143 PolarHBondContact O-N 3.47Å
142	N	86.9	Confident	80.3	Confident	115 Å²	115	78.6 Å²	78.6	62%	0.615	43%	0.431	S	S	*	.			trans	62.1	-1.4	178	-156.9	34.1	0	0	0	116.7	K137 C138	K137-N142 VanDerWaalsContact CD-OD1 3.31Å; K137-N142 WeakPolarHBondContact CD-OD1 3.42Å; C138-N142 VanDerWaalsContact O-CA 3.26Å; C138-N142 WeakPolarHBondContact O-CA 3.4Å; C138-N142 PolarHBondContact O-N 3.34Å
143	E	89	Confident	81.7	Confident	92 Å²	92	76.1 Å²	76.1	43%	0.43	43%	0.43	S	S	.	.			trans	-55	145.5	169.5	-76.8	-66.8	111.5	0	0	111.6	C121 K137 C138 C141	C121-E143 HydrophobicContact CB-CB 3.79Å; C121-E143 HydrophobicContact CB-CG 3.99Å; K137-E143 CarbonylContact C-O 3.59Å; K137-E143 VanDerWaalsContact CA-O 3.3Å; K137-E143 WeakPolarHBondContact CA-O 3.26Å; C138-E143 PolarHBondContact N-O 3.28Å; C141-E143 PolarHBondContact O-N 3.47Å
144	P	85.4	Confident	83.4	Confident	93 Å²	93	73.9 Å²	73.9	60%	0.604	42%	0.417	S	S	*	.	B	Isolated β-bridge	trans	-64.7	145.4	177.7	28.9	-35	0	0	0	111.7	T136	T136-P144 WeakPolarHBondContact O-CA 3.44Å
145	V	83.8	Confident	85	Confident	21 Å²	21	68 Å²	68	13%	0.127	39%	0.386	C	S	.	.			trans	-120.7	132.9	178.2	169.3	0	0	0	0	108.5	V119 L130 V135 T136 C138	V119-V145 HydrophobicContact CB-CG1 4.27Å; V119-V145 HydrophobicContact CB-CG2 4.07Å; V119-V145 HydrophobicContact CG1-CG1 3.87Å; V119-V145 HydrophobicContact CG1-CG2 4.15Å; V119-V145 HydrophobicContact CG2-CG2 4.03Å; L130-V145 HydrophobicContact CD2-CG1 4.09Å; V135-V145 VanDerWaalsContact O-CB 3.28Å; V135-V145 WeakPolarHBondContact O-CB 3.37Å; V135-V145 WeakPolarHBondContact O-CG1 3.22Å; T136-V145 PolarHBondContact O-N 3.14Å; C138-V145 HydrophobicContact CB-CG2 4.05Å
146	G	70.6	Confident	86.1	Confident	61 Å²	61	69.3 Å²	69.3	63%	0.629	40%	0.395	S	S	*	.			trans	168.9	150.7	-176.7	0	0	0	0	0	114.1
147	G	65.9	Low	86.8	Confident	69 Å²	69	66.4 Å²	66.4	71%	0.711	39%	0.386	S	S	*	.	S	Bend	trans	127	173.6	-173.7	0	0	0	0	0	111.6	E149	G147-E149 PolarHBondContact O-N 3.39Å
148	E	67.7	Low	87.2	Confident	176 Å²	176	61.3 Å²	61.3	82%	0.822	36%	0.364	S	S	*	.			trans	-79.5	68.3	169.9	-67.9	-162.8	163.7	0	0	110.7	K150	E148-K150 PolarHBondContact O-N 2.79Å
149	E	75.3	Confident	87.4	Confident	45 Å²	45	61.5 Å²	61.5	21%	0.21	37%	0.365	C	S	.	.			trans	-72	116	-176.1	-58.7	-178.1	151.3	0	0	111.3	V117 V119 L130 G147	V117-E149 HydrophobicContact CG1-CB 3.39Å; V119-E149 VanDerWaalsContact CA-OE1 3.28Å; V119-E149 WeakPolarHBondContact CA-OE1 3.37Å; V119-E149 WeakPolarHBondContact CB-OE1 3.24Å; V119-E149 WeakPolarHBondContact CG1-OE2 3.34Å; L130-E149 WeakPolarHBondContact CD1-OE2 3.37Å; G147-E149 PolarHBondContact O-N 3.39Å
150	K	91.3	Very high	87.7	Confident	82 Å²	82	58.8 Å²	58.8	36%	0.357	36%	0.359	S	S	.	.			trans	-89.5	157.5	-179	-54.2	-168.1	-166	176.6	0	111.8	E148 N152 P458 E483	E148-K150 PolarHBondContact O-N 2.79Å; K150-N152 PolarHBondContact O-N 2.93Å; K150-P458 PolarHBondContact N-O 3.21Å; K150-E483 IonicContact NZ-OE1 2.72Å; K150-E483 PolarHBondContact NZ-OE1 2.88Å; K150-E483 IonicContact NZ-OE2 3.59Å; K150-E483 PolarHBondContact NZ-OE2 3.42Å
151	A	94.4	Very high	87.8	Confident	25 Å²	25	57.1 Å²	57.1	21%	0.207	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-65	134.3	179.6	0	0	0	0	0	111.6	P116 V117 V153 G460	P116-A151 CarbonylContact O-C 3.58Å; P116-A151 VanDerWaalsContact O-CA 3.24Å; P116-A151 WeakPolarHBondContact O-CA 3.46Å; V117-A151 HydrophobicContact CG2-CB 4.36Å; A151-V153 PolarHBondContact O-N 3.02Å; A151-V153 VanDerWaalsContact O-N 3.12Å; A151-G460 VanDerWaalsContact O-CA 3.32Å; A151-G460 WeakPolarHBondContact O-CA 3.32Å
152	N	96.4	Very high	87.8	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	33%	0.33	C	S	.	.			trans	-66.2	104.2	177.3	-176	-34.7	0	0	0	109.7	P116 T118 K150 A154 L155 C156 T456 G460 T462	P116-N152 PolarHBondContact O-N 3.21Å; T118-N152 PolarHBondContact OG1-ND2 2.91Å; K150-N152 PolarHBondContact O-N 2.93Å; N152-A154 VanDerWaalsContact C-N 3.27Å; N152-A154 PolarHBondContact O-N 3.32Å; N152-A154 PolarHBondContact OD1-N 2.73Å; N152-L155 HydrophobicContact CB-CB 4.14Å; N152-L155 HydrophobicContact CB-CD1 4.23Å; N152-L155 HydrophobicContact CB-CG 4.47Å; N152-L155 WeakPolarHBondContact ND2-CD1 3.02Å; N152-L155 PolarHBondContact O-N 3.34Å; N152-L155 PolarHBondContact OD1-N 3.32Å; N152-L155 VanDerWaalsContact OD1-N 3.14Å; N152-C156 WeakPolarHBondContact O-CB 3.47Å; N152-C156 PolarHBondContact O-N 2.94Å; N152-C156 PolarHBondContact O-SG 3.21Å; N152-T456 HydrophobicContact CB-CG2 4.19Å; N152-T456 PolarHBondContact ND2-OG1 3.08Å; N152-G460 CarbonylContact C-O 3.58Å; N152-G460 WeakPolarHBondContact CA-O 3.46Å; N152-T462 PolarHBondContact OD1-OG1 2.93Å
153	V	96.4	Very high	88.1	Confident	77 Å²	77	50.2 Å²	50.2	47%	0.467	31%	0.305	S	S	.	.	H	α-helix	trans	-59.9	-37.5	-172.5	179.7	0	0	0	0	111.6	A151 G157 G460	A151-V153 PolarHBondContact O-N 3.02Å; A151-V153 VanDerWaalsContact O-N 3.12Å; V153-G157 PolarHBondContact O-N 3.43Å; V153-G157 VanDerWaalsContact O-N 3.11Å; V153-G460 PolarHBondContact N-O 2.69Å
154	A	95.8	Very high	88.1	Confident	23 Å²	23	48.3 Å²	48.3	19%	0.19	30%	0.301	C	S	.	.	H	α-helix	trans	-67.3	-50.9	177.9	0	0	0	0	0	111.3	N152 C156 G157 L158 L500	N152-A154 VanDerWaalsContact C-N 3.27Å; N152-A154 PolarHBondContact O-N 3.32Å; N152-A154 PolarHBondContact OD1-N 2.73Å; A154-C156 VanDerWaalsContact C-N 3.31Å; A154-C156 PolarHBondContact O-N 3.35Å; A154-G157 PolarHBondContact O-N 3.01Å; A154-L158 WeakPolarHBondContact O-CD1 3.36Å; A154-L158 VanDerWaalsContact O-CG 3.3Å; A154-L158 WeakPolarHBondContact O-CG 3.34Å; A154-L158 PolarHBondContact O-N 2.72Å; A154-L500 HydrophobicContact CB-CD1 4.42Å
155	L	95.4	Very high	88.2	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-63.9	-34.2	176.2	-72	173.7	0	0	0	112.3	P116 N152 L158 L159 T497 V499 L500 L503	P116-L155 HydrophobicContact CB-CB 3.87Å; P116-L155 HydrophobicContact CB-CD1 4.09Å; P116-L155 HydrophobicContact CG-CB 3.37Å; N152-L155 HydrophobicContact CB-CB 4.14Å; N152-L155 HydrophobicContact CB-CD1 4.23Å; N152-L155 HydrophobicContact CB-CG 4.47Å; N152-L155 WeakPolarHBondContact ND2-CD1 3.02Å; N152-L155 PolarHBondContact O-N 3.34Å; N152-L155 PolarHBondContact OD1-N 3.32Å; N152-L155 VanDerWaalsContact OD1-N 3.14Å; L155-L158 HydrophobicContact CD2-CD1 4.31Å; L155-L159 VanDerWaalsContact O-CB 3.29Å; L155-L159 WeakPolarHBondContact O-CB 3.37Å; L155-L159 WeakPolarHBondContact O-CG 3.42Å; L155-L159 PolarHBondContact O-N 3.02Å; L155-T497 HydrophobicContact CD1-CG2 4.44Å; L155-V499 HydrophobicContact CD1-CB 4.11Å; L155-V499 HydrophobicContact CD1-CG1 4.08Å; L155-V499 HydrophobicContact CD2-CB 4.44Å; L155-V499 HydrophobicContact CD2-CG1 3.75Å; L155-L500 HydrophobicContact CD1-CG 4.34Å; L155-L500 HydrophobicContact CD2-CD2 3.39Å; L155-L500 HydrophobicContact CD2-CG 3.72Å; L155-L500 HydrophobicContact CG-CD1 4.23Å; L155-L500 HydrophobicContact CG-CD2 3.83Å; L155-L500 HydrophobicContact CG-CG 3.84Å; L155-L503 HydrophobicContact CD2-CD1 4.17Å
156	C	94.6	Very high	88.4	Confident	39 Å²	39	49.2 Å²	49.2	26%	0.264	30%	0.299	S	S	.	.	H	α-helix	trans	-57.7	-49.6	172	-75.2	0	0	0	0	111.9	N152 A154 L159 E160	N152-C156 WeakPolarHBondContact O-CB 3.47Å; N152-C156 PolarHBondContact O-N 2.94Å; N152-C156 PolarHBondContact O-SG 3.21Å; A154-C156 VanDerWaalsContact C-N 3.31Å; A154-C156 PolarHBondContact O-N 3.35Å; C156-L159 PolarHBondContact O-N 3.04Å; C156-E160 WeakPolarHBondContact O-CB 3.29Å; C156-E160 PolarHBondContact O-N 3.03Å
157	G	93.8	Very high	89.1	Confident	42 Å²	42	47.3 Å²	47.3	43%	0.433	27%	0.274	S	S	.	.	H	α-helix	trans	-63.2	-47	179.4	0	0	0	0	0	112.8	V153 A154 L159 E160 K161	V153-G157 PolarHBondContact O-N 3.43Å; V153-G157 VanDerWaalsContact O-N 3.11Å; A154-G157 PolarHBondContact O-N 3.01Å; G157-L159 PolarHBondContact O-N 3.01Å; G157-E160 PolarHBondContact O-N 2.81Å; G157-K161 WeakPolarHBondContact O-CB 3.21Å; G157-K161 PolarHBondContact O-N 2.97Å
158	L	93.5	Very high	90.1	Very high	5 Å²	5	49.9 Å²	49.9	3%	0.026	27%	0.265	C	S	.	.	H	α-helix	trans	-58.1	-46.2	176.8	-68.4	162.2	0	0	0	111.9	A154 L155 K161 W162 D441 L442 L500	A154-L158 WeakPolarHBondContact O-CD1 3.36Å; A154-L158 VanDerWaalsContact O-CG 3.3Å; A154-L158 WeakPolarHBondContact O-CG 3.34Å; A154-L158 PolarHBondContact O-N 2.72Å; L155-L158 HydrophobicContact CD2-CD1 4.31Å; L158-K161 PolarHBondContact O-N 2.92Å; L158-W162 HydrophobicContact CB-CE3 4.36Å; L158-W162 HydrophobicContact CB-CZ3 4.39Å; L158-W162 HydrophobicContact CD2-CH2 3.85Å; L158-W162 HydrophobicContact CD2-CZ2 3.59Å; L158-W162 HydrophobicContact CD2-CZ3 4.48Å; L158-W162 VanDerWaalsContact O-CB 3.32Å; L158-W162 WeakPolarHBondContact O-CB 3.45Å; L158-W162 VanDerWaalsContact O-CG 3.25Å; L158-W162 PolarHBondContact O-N 2.78Å; L158-D441 HydrophobicContact CD2-CB 3.49Å; L158-D441 VanDerWaalsContact CD2-CB 3.49Å; L158-L442 HydrophobicContact CD1-CD2 3.69Å; L158-L442 HydrophobicContact CD1-CG 4.43Å; L158-L442 HydrophobicContact CD2-CD2 4.37Å; L158-L442 HydrophobicContact CD2-CG 4.22Å; L158-L500 HydrophobicContact CD1-CD2 3.61Å
159	L	92.8	Very high	90.8	Very high	7 Å²	7	46 Å²	46	4%	0.037	25%	0.246	C	C	.	.	H	α-helix	trans	-72.3	-30.2	-179.1	-66.9	179.4	0	0	0	113.2	F104 F112 L113 P116 L155 C156 G157 F163	F104-L159 HydrophobicContact CD1-CD2 3.74Å; F104-L159 HydrophobicContact CE1-CD2 4.23Å; F112-L159 HydrophobicContact CE2-CD2 3.88Å; F112-L159 HydrophobicContact CZ-CB 4Å; F112-L159 HydrophobicContact CZ-CD1 4.41Å; F112-L159 HydrophobicContact CZ-CD2 4.01Å; F112-L159 HydrophobicContact CZ-CG 4.36Å; L113-L159 HydrophobicContact CB-CD1 4.24Å; L113-L159 WeakPolarHBondContact O-CD1 3.38Å; P116-L159 HydrophobicContact CB-CD1 4.48Å; P116-L159 HydrophobicContact CG-CD1 3.97Å; L155-L159 VanDerWaalsContact O-CB 3.29Å; L155-L159 WeakPolarHBondContact O-CB 3.37Å; L155-L159 WeakPolarHBondContact O-CG 3.42Å; L155-L159 PolarHBondContact O-N 3.02Å; C156-L159 PolarHBondContact O-N 3.04Å; G157-L159 PolarHBondContact O-N 3.01Å; L159-F163 HydrophobicContact CD2-CD2 3.95Å; L159-F163 HydrophobicContact CD2-CE2 4.27Å; L159-F163 CarbonylContact O-C 3.57Å; L159-F163 PolarHBondContact O-N 2.85Å
160	E	92.4	Very high	91.3	Very high	100 Å²	100	45.5 Å²	45.5	47%	0.467	24%	0.244	S	C	.	.	H	α-helix	trans	-71.9	-36.3	171.7	-173.4	145.9	-122.6	0	0	111.9	C156 G157 L167 K171	C156-E160 WeakPolarHBondContact O-CB 3.29Å; C156-E160 PolarHBondContact O-N 3.03Å; G157-E160 PolarHBondContact O-N 2.81Å; E160-L167 HydrophobicContact CB-CD2 3.53Å; E160-L167 VanDerWaalsContact CD-CD2 3.46Å; E160-L167 HydrophobicContact CG-CD2 3.56Å; E160-L167 WeakPolarHBondContact OE1-CD2 3.42Å; E160-K171 IonicContact OE1-NZ 2.72Å; E160-K171 PolarHBondContact OE1-NZ 3.09Å
161	K	92.1	Very high	91	Very high	70 Å²	70	46.4 Å²	46.4	30%	0.304	25%	0.248	S	C	.	.	H	α-helix	trans	-68.1	-51.4	173.6	-171.3	-177.3	-177	-177.1	0	112	G157 L158 D441	G157-K161 WeakPolarHBondContact O-CB 3.21Å; G157-K161 PolarHBondContact O-N 2.97Å; L158-K161 PolarHBondContact O-N 2.92Å; K161-D441 WeakPolarHBondContact CD-OD2 3.37Å; K161-D441 WeakPolarHBondContact CE-OD2 3.34Å; K161-D441 IonicContact NZ-OD1 3.26Å; K161-D441 PolarHBondContact NZ-OD1 3.26Å; K161-D441 IonicContact NZ-OD2 2.72Å; K161-D441 PolarHBondContact NZ-OD2 3.42Å
162	W	91.5	Very high	90.5	Very high	5 Å²	5	48 Å²	48	2%	0.019	26%	0.255	C	S	.	.	H	α-helix	trans	-83.1	-30.8	-170.4	-62.7	-17.2	0	0	0	114.6	F104 L158 P164 V432 L436 L437 L503 L507	F104-W162 AromaticContact CE1-CE3 3.92Å; F104-W162 HydrophobicContact CE1-CE3 3.92Å; F104-W162 AromaticContact CE1-CZ3 3.87Å; F104-W162 HydrophobicContact CE1-CZ3 3.87Å; F104-W162 HydrophobicContact CZ-CE3 4.1Å; F104-W162 HydrophobicContact CZ-CZ3 4.02Å; L158-W162 HydrophobicContact CB-CE3 4.36Å; L158-W162 HydrophobicContact CB-CZ3 4.39Å; L158-W162 HydrophobicContact CD2-CH2 3.85Å; L158-W162 HydrophobicContact CD2-CZ2 3.59Å; L158-W162 HydrophobicContact CD2-CZ3 4.48Å; L158-W162 VanDerWaalsContact O-CB 3.32Å; L158-W162 WeakPolarHBondContact O-CB 3.45Å; L158-W162 VanDerWaalsContact O-CG 3.25Å; L158-W162 PolarHBondContact O-N 2.78Å; W162-P164 VanDerWaalsContact C-CD 3.45Å; W162-V432 HydrophobicContact CB-CG1 4.03Å; W162-V432 HydrophobicContact CD2-CG1 3.64Å; W162-V432 HydrophobicContact CD2-CG2 3.99Å; W162-V432 HydrophobicContact CE3-CG1 4.17Å; W162-V432 HydrophobicContact CE3-CG2 3.63Å; W162-V432 HydrophobicContact CG-CG1 3.56Å; W162-V432 HydrophobicContact CG-CG2 4.42Å; W162-V432 HydrophobicContact CZ3-CG2 4.06Å; W162-L436 PolarHBondContact NE1-O 2.86Å; W162-L436 VanDerWaalsContact NE1-O 3.08Å; W162-L437 HydrophobicContact CZ2-CD2 4.19Å; W162-L503 HydrophobicContact CZ3-CD1 4.1Å; W162-L503 HydrophobicContact CZ3-CD2 4.21Å; W162-L507 HydrophobicContact CH2-CD1 3.73Å; W162-L507 HydrophobicContact CZ2-CD1 4.44Å; W162-L507 HydrophobicContact CZ3-CD1 4.13Å
163	F	91.7	Very high	89.9	Confident	20 Å²	20	48.7 Å²	48.7	9%	0.088	26%	0.259	C	S	.	.			trans	-133	53.4	-176.1	-54.8	-73.5	0	0	0	113	F104 F112 L159 D165 E166 L167 R430 V432	F104-F163 AromaticContact CD1-CE2 3.79Å; F104-F163 HydrophobicContact CD1-CE2 3.79Å; F104-F163 AromaticContact CD2-CE2 3.93Å; F104-F163 HydrophobicContact CD2-CE2 3.93Å; F104-F163 AromaticContact CD2-CZ 3.83Å; F104-F163 HydrophobicContact CD2-CZ 3.83Å; F104-F163 AromaticContact CE1-CE2 3.85Å; F104-F163 HydrophobicContact CE1-CE2 3.85Å; F104-F163 HydrophobicContact CE2-CE2 4Å; F104-F163 AromaticContact CE2-CZ 3.84Å; F104-F163 HydrophobicContact CE2-CZ 3.84Å; F104-F163 AromaticContact CG-CE2 3.82Å; F104-F163 HydrophobicContact CG-CE2 3.82Å; F104-F163 HydrophobicContact CG-CZ 4.17Å; F104-F163 AromaticContact CZ-CE2 3.96Å; F104-F163 HydrophobicContact CZ-CE2 3.96Å; F104-F163 HydrophobicContact CZ-CZ 4.18Å; F112-F163 HydrophobicContact CE1-CB 4.44Å; F112-F163 HydrophobicContact CE2-CB 3.92Å; F112-F163 AromaticContact CE2-CD2 3.71Å; F112-F163 HydrophobicContact CE2-CD2 3.71Å; F112-F163 HydrophobicContact CE2-CE2 4.48Å; F112-F163 AromaticContact CE2-CG 3.96Å; F112-F163 HydrophobicContact CE2-CG 3.96Å; F112-F163 HydrophobicContact CZ-CB 3.62Å; F112-F163 HydrophobicContact CZ-CD2 4.03Å; F112-F163 HydrophobicContact CZ-CG 4.14Å; L159-F163 HydrophobicContact CD2-CD2 3.95Å; L159-F163 HydrophobicContact CD2-CE2 4.27Å; L159-F163 CarbonylContact O-C 3.57Å; L159-F163 PolarHBondContact O-N 2.85Å; F163-D165 PolarHBondContact O-N 2.68Å; F163-D165 VanDerWaalsContact O-N 3.14Å; F163-E166 HydrophobicContact CB-CB 4.09Å; F163-E166 HydrophobicContact CB-CG 4.23Å; F163-E166 PolarHBondContact O-N 3.23Å; F163-E166 VanDerWaalsContact O-N 3.11Å; F163-L167 PolarHBondContact O-N 3Å; F163-R430 HydrophobicContact CE1-CB 3.99Å; F163-R430 HydrophobicContact CZ-CB 4.08Å; F163-V432 HydrophobicContact CE2-CG2 4.23Å; F163-V432 HydrophobicContact CZ-CG2 3.91Å
164	P	89.9	Confident	89.3	Confident	53 Å²	53	48.2 Å²	48.2	34%	0.344	25%	0.252	S	S	.	.	H	α-helix	trans	-58.5	-32.6	-174.3	23.4	-34.6	0	0	0	113.2	W162 L167 K168	W162-P164 VanDerWaalsContact C-CD 3.45Å; P164-L167 PolarHBondContact O-N 3.32Å; P164-K168 VanDerWaalsContact O-CG 3.26Å; P164-K168 WeakPolarHBondContact O-CG 3.49Å; P164-K168 PolarHBondContact O-N 2.8Å
165	D	87.2	Confident	88.9	Confident	95 Å²	95	51.9 Å²	51.9	51%	0.508	27%	0.265	S	S	.	.	H	α-helix	trans	-76.9	-33.1	179	-67.6	-33.9	0	0	0	113.5	F163 L167 K168 K169	F163-D165 PolarHBondContact O-N 2.68Å; F163-D165 VanDerWaalsContact O-N 3.14Å; D165-L167 VanDerWaalsContact C-N 3.3Å; D165-K168 PolarHBondContact O-N 3Å; D165-K168 WeakPolarHBondContact OD1-CD 3.18Å; D165-K168 WeakPolarHBondContact OD1-CE 3.41Å; D165-K168 IonicContact OD1-NZ 2.67Å; D165-K168 PolarHBondContact OD1-NZ 2.87Å; D165-K169 VanDerWaalsContact O-CG 3.31Å; D165-K169 WeakPolarHBondContact O-CG 3.48Å; D165-K169 PolarHBondContact O-N 2.97Å
166	E	87.1	Confident	88.6	Confident	38 Å²	38	51.8 Å²	51.8	18%	0.178	27%	0.265	C	S	.	.	H	α-helix	trans	-66.6	-36.8	170.4	-65.7	-75.4	93.2	0	0	110.4	F112 F163 K169 L170 R430	F112-E166 HydrophobicContact CD1-CB 3.56Å; F112-E166 HydrophobicContact CD2-CB 4.4Å; F112-E166 HydrophobicContact CE1-CB 3.64Å; F112-E166 HydrophobicContact CE2-CB 4.44Å; F112-E166 HydrophobicContact CG-CB 3.99Å; F112-E166 HydrophobicContact CZ-CB 4.1Å; F163-E166 HydrophobicContact CB-CB 4.09Å; F163-E166 HydrophobicContact CB-CG 4.23Å; F163-E166 PolarHBondContact O-N 3.23Å; F163-E166 VanDerWaalsContact O-N 3.11Å; E166-K169 PolarHBondContact O-N 2.86Å; E166-K169 WeakPolarHBondContact OE1-CD 3.48Å; E166-K169 WeakPolarHBondContact OE1-CE 3.27Å; E166-K169 IonicContact OE1-NZ 2.63Å; E166-K169 PolarHBondContact OE1-NZ 2.67Å; E166-L170 PolarHBondContact O-N 3.31Å; E166-R430 IonicContact OE2-CZ 3.9Å; E166-R430 VanDerWaalsContact OE2-CZ 3.24Å; E166-R430 IonicContact OE2-NE 3.9Å; E166-R430 PolarHBondContact OE2-NE 3.3Å; E166-R430 IonicContact OE2-NH2 3.2Å; E166-R430 PolarHBondContact OE2-NH2 3.12Å
167	L	85.9	Confident	88	Confident	21 Å²	21	50.4 Å²	50.4	11%	0.11	25%	0.254	C	S	.	.	H	α-helix	trans	-70.1	-36.8	174.9	-172.7	59.6	0	0	0	112.6	E160 F163 P164 D165 L170 K171	E160-L167 HydrophobicContact CB-CD2 3.53Å; E160-L167 VanDerWaalsContact CD-CD2 3.46Å; E160-L167 HydrophobicContact CG-CD2 3.56Å; E160-L167 WeakPolarHBondContact OE1-CD2 3.42Å; F163-L167 PolarHBondContact O-N 3Å; P164-L167 PolarHBondContact O-N 3.32Å; D165-L167 VanDerWaalsContact C-N 3.3Å; L167-L170 PolarHBondContact O-N 3.2Å; L167-K171 HydrophobicContact CG-CD 4.33Å; L167-K171 WeakPolarHBondContact O-CG 3.27Å; L167-K171 PolarHBondContact O-N 3.15Å
168	K	86.2	Confident	87.6	Confident	122 Å²	122	52.3 Å²	52.3	53%	0.53	25%	0.253	S	S	.	.	H	α-helix	trans	-59.8	-46.8	169.8	-72.4	166.4	-153	165.5	0	111.3	P164 D165 L170 K171 T172	P164-K168 VanDerWaalsContact O-CG 3.26Å; P164-K168 WeakPolarHBondContact O-CG 3.49Å; P164-K168 PolarHBondContact O-N 2.8Å; D165-K168 PolarHBondContact O-N 3Å; D165-K168 WeakPolarHBondContact OD1-CD 3.18Å; D165-K168 WeakPolarHBondContact OD1-CE 3.41Å; D165-K168 IonicContact OD1-NZ 2.67Å; D165-K168 PolarHBondContact OD1-NZ 2.87Å; K168-L170 VanDerWaalsContact C-N 3.3Å; K168-L170 PolarHBondContact O-N 3.4Å; K168-K171 PolarHBondContact O-N 3.42Å; K168-T172 PolarHBondContact O-N 3.49Å; K168-T172 PolarHBondContact O-OG1 3.43Å
169	K	84.2	Confident	87.3	Confident	95 Å²	95	52 Å²	52	41%	0.413	25%	0.251	S	S	.	.	H	α-helix	trans	-58.1	-40.6	174.4	-68.6	171.3	-164.6	174.8	0	111.8	D165 E166 T172 L173	D165-K169 VanDerWaalsContact O-CG 3.31Å; D165-K169 WeakPolarHBondContact O-CG 3.48Å; D165-K169 PolarHBondContact O-N 2.97Å; E166-K169 PolarHBondContact O-N 2.86Å; E166-K169 WeakPolarHBondContact OE1-CD 3.48Å; E166-K169 WeakPolarHBondContact OE1-CE 3.27Å; E166-K169 IonicContact OE1-NZ 2.63Å; E166-K169 PolarHBondContact OE1-NZ 2.67Å; K169-T172 PolarHBondContact O-OG1 3.02Å; K169-T172 VanDerWaalsContact O-OG1 3.07Å; K169-L173 WeakPolarHBondContact O-CB 3.26Å; K169-L173 WeakPolarHBondContact O-CD1 3.38Å; K169-L173 WeakPolarHBondContact O-CG 3.37Å; K169-L173 PolarHBondContact O-N 3.14Å
170	L	84.1	Confident	86.9	Confident	34 Å²	34	52.3 Å²	52.3	18%	0.178	25%	0.254	C	S	.	.	H	α-helix	trans	-68.5	-39.3	176.1	-74.6	-173.6	0	0	0	112.9	F112 G114 E166 L167 K168 L173 Q174	F112-L170 HydrophobicContact CD1-CD1 3.59Å; F112-L170 HydrophobicContact CD1-CG 4.3Å; F112-L170 HydrophobicContact CE1-CD1 4.33Å; F112-L170 HydrophobicContact CG-CD1 4.49Å; G114-L170 VanDerWaalsContact CA-CD1 3.45Å; E166-L170 PolarHBondContact O-N 3.31Å; L167-L170 PolarHBondContact O-N 3.2Å; K168-L170 VanDerWaalsContact C-N 3.3Å; K168-L170 PolarHBondContact O-N 3.4Å; L170-L173 HydrophobicContact CD2-CD1 4.27Å; L170-L173 PolarHBondContact O-N 2.85Å; L170-Q174 WeakPolarHBondContact O-CG 3.36Å; L170-Q174 PolarHBondContact O-N 2.8Å
171	K	84.6	Confident	86.5	Confident	101 Å²	101	52.9 Å²	52.9	44%	0.439	26%	0.259	S	S	.	.	H	α-helix	trans	-62.1	-42.1	176.3	-73	168.8	-179.7	172.2	0	111.5	E160 L167 K168 Q174 E175	E160-K171 IonicContact OE1-NZ 2.72Å; E160-K171 PolarHBondContact OE1-NZ 3.09Å; L167-K171 HydrophobicContact CG-CD 4.33Å; L167-K171 WeakPolarHBondContact O-CG 3.27Å; L167-K171 PolarHBondContact O-N 3.15Å; K168-K171 PolarHBondContact O-N 3.42Å; K171-Q174 PolarHBondContact O-N 2.86Å; K171-E175 PolarHBondContact O-N 2.88Å; K171-E175 VanDerWaalsContact O-N 3.08Å
172	T	85.3	Confident	86.4	Confident	58 Å²	58	56.4 Å²	56.4	36%	0.356	27%	0.27	S	S	.	.	H	α-helix	trans	-71	-33.2	174.1	58.5	0	0	0	0	113.2	K168 K169 E175 V176	K168-T172 PolarHBondContact O-N 3.49Å; K168-T172 PolarHBondContact O-OG1 3.43Å; K169-T172 PolarHBondContact O-OG1 3.02Å; K169-T172 VanDerWaalsContact O-OG1 3.07Å; T172-E175 WeakPolarHBondContact O-CB 3.44Å; T172-E175 PolarHBondContact O-N 2.84Å; T172-V176 WeakPolarHBondContact O-CG2 3.17Å; T172-V176 PolarHBondContact O-N 2.82Å
173	L	84.3	Confident	86.3	Confident	15 Å²	15	63.4 Å²	63.4	8%	0.079	30%	0.301	C	S	.	.	H	α-helix	trans	-67	-36.9	172.5	-73.8	166.8	0	0	0	112.5	K169 L170 E175 V176 E177 I195 V202 L204 A205	K169-L173 WeakPolarHBondContact O-CB 3.26Å; K169-L173 WeakPolarHBondContact O-CD1 3.38Å; K169-L173 WeakPolarHBondContact O-CG 3.37Å; K169-L173 PolarHBondContact O-N 3.14Å; L170-L173 HydrophobicContact CD2-CD1 4.27Å; L170-L173 PolarHBondContact O-N 2.85Å; L173-E175 VanDerWaalsContact C-N 3.34Å; L173-V176 PolarHBondContact O-N 2.98Å; L173-E177 VanDerWaalsContact O-CG 3.28Å; L173-E177 WeakPolarHBondContact O-CG 3.42Å; L173-E177 PolarHBondContact O-N 3.41Å; L173-E177 VanDerWaalsContact O-N 3.08Å; L173-I195 HydrophobicContact CD2-CD1 3.8Å; L173-I195 HydrophobicContact CD2-CG2 4.29Å; L173-I195 HydrophobicContact CG-CD1 4.15Å; L173-V202 HydrophobicContact CD1-CG1 3.89Å; L173-V202 HydrophobicContact CD2-CG1 3.62Å; L173-V202 HydrophobicContact CG-CG1 4.39Å; L173-L204 HydrophobicContact CB-CD2 3.76Å; L173-L204 HydrophobicContact CD1-CD2 4.4Å; L173-L204 HydrophobicContact CD2-CB 4.39Å; L173-L204 HydrophobicContact CD2-CD2 3.63Å; L173-L204 HydrophobicContact CG-CD2 4.13Å; L173-A205 HydrophobicContact CD2-CB 3.91Å
174	Q	83.8	Confident	86.4	Confident	68 Å²	68	68.5 Å²	68.5	32%	0.318	32%	0.319	S	S	.	.	H	α-helix	trans	-64.6	-38.2	171.5	-75.5	178.1	-27.4	0	0	111.5	E115 L170 K171 E177 M178	E115-Q174 PolarHBondContact OE2-NE2 2.65Å; L170-Q174 WeakPolarHBondContact O-CG 3.36Å; L170-Q174 PolarHBondContact O-N 2.8Å; K171-Q174 PolarHBondContact O-N 2.86Å; Q174-E177 PolarHBondContact O-N 2.75Å; Q174-M178 WeakPolarHBondContact O-CB 3.32Å; Q174-M178 VanDerWaalsContact O-CG 3.3Å; Q174-M178 WeakPolarHBondContact O-CG 3.17Å; Q174-M178 PolarHBondContact O-N 2.95Å
175	E	86.9	Confident	86.5	Confident	100 Å²	100	68.8 Å²	68.8	47%	0.467	31%	0.314	S	S	.	.	H	α-helix	trans	-63.3	-45.6	174.9	-173.7	169.1	-140.8	0	0	112.2	K171 T172 L173 E177 M178 S179 L191	K171-E175 PolarHBondContact O-N 2.88Å; K171-E175 VanDerWaalsContact O-N 3.08Å; T172-E175 WeakPolarHBondContact O-CB 3.44Å; T172-E175 PolarHBondContact O-N 2.84Å; L173-E175 VanDerWaalsContact C-N 3.34Å; E175-E177 VanDerWaalsContact C-N 3.33Å; E175-E177 PolarHBondContact O-N 3.23Å; E175-M178 PolarHBondContact O-N 2.92Å; E175-S179 PolarHBondContact O-N 2.81Å; E175-L191 HydrophobicContact CG-CD1 4.14Å
176	V	87.8	Confident	86.8	Confident	0 Å²	0	70 Å²	70	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-54.1	-47.9	171.9	167.4	0	0	0	0	111.4	T172 L173 S179 C180 V188 L191 A192 I195 S208	T172-V176 WeakPolarHBondContact O-CG2 3.17Å; T172-V176 PolarHBondContact O-N 2.82Å; L173-V176 PolarHBondContact O-N 2.98Å; V176-S179 PolarHBondContact O-N 2.93Å; V176-C180 PolarHBondContact O-N 2.84Å; V176-C180 PolarHBondContact O-SG 2.79Å; V176-V188 HydrophobicContact CG1-CG1 4.24Å; V176-L191 HydrophobicContact CG2-CB 3.56Å; V176-L191 HydrophobicContact CG2-CD1 4.43Å; V176-A192 HydrophobicContact CG1-CB 4.23Å; V176-I195 HydrophobicContact CG2-CD1 3.91Å; V176-S208 VanDerWaalsContact CG1-CB 3.49Å
177	E	84	Confident	87	Confident	10 Å²	10	71.2 Å²	71.2	5%	0.047	33%	0.326	C	S	.	.	H	α-helix	trans	-64.4	-42.8	177.9	-68.9	172.7	152.1	0	0	112.4	R128 R132 L173 Q174 E175 S179 C180 I181 L204	R128-E177 VanDerWaalsContact CD-OE1 3.23Å; R128-E177 WeakPolarHBondContact CD-OE1 3.3Å; R128-E177 IonicContact CZ-OE1 2.86Å; R128-E177 IonicContact NE-OE1 2.72Å; R128-E177 IonicContact NH1-OE1 3.25Å; R128-E177 PolarHBondContact NH1-OE1 3.47Å; R132-E177 IonicContact CZ-OE1 2.75Å; R132-E177 IonicContact CZ-OE2 2.7Å; R132-E177 IonicContact NH1-OE1 3.55Å; R132-E177 PolarHBondContact NH1-OE1 2.8Å; R132-E177 IonicContact NH1-OE2 2.62Å; R132-E177 PolarHBondContact NH1-OE2 2.85Å; R132-E177 IonicContact NH2-OE1 2.67Å; R132-E177 IonicContact NH2-OE2 3.7Å; R132-E177 PolarHBondContact NH2-OE2 2.84Å; L173-E177 VanDerWaalsContact O-CG 3.28Å; L173-E177 WeakPolarHBondContact O-CG 3.42Å; L173-E177 PolarHBondContact O-N 3.41Å; L173-E177 VanDerWaalsContact O-N 3.08Å; Q174-E177 PolarHBondContact O-N 2.75Å; E175-E177 VanDerWaalsContact C-N 3.33Å; E175-E177 PolarHBondContact O-N 3.23Å; E177-S179 VanDerWaalsContact C-N 3.31Å; E177-S179 PolarHBondContact O-N 3.14Å; E177-C180 WeakPolarHBondContact O-CB 3.27Å; E177-C180 PolarHBondContact O-N 3.06Å; E177-I181 WeakPolarHBondContact O-CG1 3.47Å; E177-I181 PolarHBondContact O-N 3.17Å; E177-I181 VanDerWaalsContact O-N 3.07Å; E177-L204 HydrophobicContact CG-CD2 4.08Å; E177-L204 WeakPolarHBondContact OE1-CD1 3.31Å; E177-L204 WeakPolarHBondContact OE1-CD2 3.39Å
178	M	84	Confident	87.3	Confident	81 Å²	81	70.2 Å²	70.2	40%	0.399	32%	0.321	S	S	.	.	H	α-helix	trans	-65.5	-34.3	177.7	-75	-57.8	-58.6	0	0	112.3	Q174 E175 I181 R182	Q174-M178 WeakPolarHBondContact O-CB 3.32Å; Q174-M178 VanDerWaalsContact O-CG 3.3Å; Q174-M178 WeakPolarHBondContact O-CG 3.17Å; Q174-M178 PolarHBondContact O-N 2.95Å; E175-M178 PolarHBondContact O-N 2.92Å; M178-I181 PolarHBondContact O-N 3.07Å; M178-I181 HydrophobicContact SD-CD1 4.13Å; M178-R182 WeakPolarHBondContact O-CB 3.44Å; M178-R182 WeakPolarHBondContact O-CD 3.35Å; M178-R182 VanDerWaalsContact O-CG 3.25Å; M178-R182 WeakPolarHBondContact O-CG 3.41Å; M178-R182 PolarHBondContact O-N 3.41Å
179	S	88.2	Confident	87.7	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-78.5	-21.2	175.1	-74.4	0	0	0	0	113.5	E175 V176 E177 K183 R184 E187	E175-S179 PolarHBondContact O-N 2.81Å; V176-S179 PolarHBondContact O-N 2.93Å; E177-S179 VanDerWaalsContact C-N 3.31Å; E177-S179 PolarHBondContact O-N 3.14Å; S179-K183 PolarHBondContact O-N 3.44Å; S179-R184 PolarHBondContact O-N 3.24Å; S179-E187 WeakPolarHBondContact CB-OE1 3.43Å; S179-E187 PolarHBondContact OG-OE1 2.8Å
180	C	84.3	Confident	88.1	Confident	12 Å²	12	64.2 Å²	64.2	8%	0.081	31%	0.305	C	S	.	.	H	α-helix	trans	-63.7	-49.8	162.4	-62.2	0	0	0	0	110.8	V176 E177 R182 K183 V188	V176-C180 PolarHBondContact O-N 2.84Å; V176-C180 PolarHBondContact O-SG 2.79Å; E177-C180 WeakPolarHBondContact O-CB 3.27Å; E177-C180 PolarHBondContact O-N 3.06Å; C180-R182 VanDerWaalsContact C-N 3.3Å; C180-R182 PolarHBondContact O-N 2.72Å; C180-K183 WeakPolarHBondContact O-CA 3.39Å; C180-K183 PolarHBondContact O-N 3.18Å; C180-V188 HydrophobicContact CB-CG2 4.4Å; C180-V188 VanDerWaalsContact N-CG2 3.34Å; C180-V188 WeakPolarHBondContact SG-CG1 3.34Å
181	I	83.5	Confident	88.4	Confident	112 Å²	112	65 Å²	65	57%	0.574	31%	0.309	S	S	*	.	H	α-helix	trans	-61	-39.8	179.3	-66.2	165	0	0	0	111.1	E177 M178 K183	E177-I181 WeakPolarHBondContact O-CG1 3.47Å; E177-I181 PolarHBondContact O-N 3.17Å; E177-I181 VanDerWaalsContact O-N 3.07Å; M178-I181 PolarHBondContact O-N 3.07Å; M178-I181 HydrophobicContact SD-CD1 4.13Å; I181-K183 PolarHBondContact O-N 3.09Å
182	R	89.6	Confident	88.7	Confident	145 Å²	145	60.2 Å²	60.2	55%	0.547	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	4.6	173.7	-66.5	165.3	174.1	164	-2.3	114.1	M178 C180 R184	M178-R182 WeakPolarHBondContact O-CB 3.44Å; M178-R182 WeakPolarHBondContact O-CD 3.35Å; M178-R182 VanDerWaalsContact O-CG 3.25Å; M178-R182 WeakPolarHBondContact O-CG 3.41Å; M178-R182 PolarHBondContact O-N 3.41Å; C180-R182 VanDerWaalsContact C-N 3.3Å; C180-R182 PolarHBondContact O-N 2.72Å; R182-R184 HydrophobicContact CB-CG 4.07Å; R182-R184 PolarHBondContact O-N 2.75Å
183	K	89.5	Confident	89	Confident	152 Å²	152	58.8 Å²	58.8	66%	0.661	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	25.6	179.9	-52.3	-172.2	-178.9	178.8	0	114.9	S179 C180 I181 Y185	S179-K183 PolarHBondContact O-N 3.44Å; C180-K183 WeakPolarHBondContact O-CA 3.39Å; C180-K183 PolarHBondContact O-N 3.18Å; I181-K183 PolarHBondContact O-N 3.09Å; K183-Y185 HydrophobicContact CB-CE2 3.77Å; K183-Y185 HydrophobicContact CG-CE2 4.46Å; K183-Y185 VanDerWaalsContact O-CD2 3.26Å; K183-Y185 WeakPolarHBondContact O-CD2 3.44Å; K183-Y185 WeakPolarHBondContact O-CE2 3.46Å; K183-Y185 PolarHBondContact O-N 3.35Å
184	R	93.4	Very high	89.3	Confident	126 Å²	126	61.2 Å²	61.2	48%	0.475	29%	0.294	S	S	.	.			trans	-87.1	58.6	-179.1	-61	-168.4	-176.2	175.8	-2.4	111.3	S179 R182 N186 E187 V188	S179-R184 PolarHBondContact O-N 3.24Å; R182-R184 HydrophobicContact CB-CG 4.07Å; R182-R184 PolarHBondContact O-N 2.75Å; R184-N186 VanDerWaalsContact C-N 3.27Å; R184-N186 PolarHBondContact O-N 3.05Å; R184-N186 VanDerWaalsContact O-N 3.11Å; R184-E187 HydrophobicContact CB-CB 3.94Å; R184-E187 WeakPolarHBondContact CD-OE2 3.31Å; R184-E187 IonicContact CZ-OE2 3.97Å; R184-E187 IonicContact NE-OE2 2.7Å; R184-E187 IonicContact NH1-OE1 3.81Å; R184-E187 IonicContact NH1-OE2 2.97Å; R184-E187 PolarHBondContact NH1-OE2 3.24Å; R184-E187 WeakPolarHBondContact O-CA 3.34Å; R184-E187 VanDerWaalsContact O-CB 3.26Å; R184-E187 WeakPolarHBondContact O-CB 3.26Å; R184-E187 PolarHBondContact O-N 2.98Å; R184-V188 PolarHBondContact O-N 2.74Å; R184-V188 VanDerWaalsContact O-N 3.08Å
185	Y	92.8	Very high	89.5	Confident	59 Å²	59	59 Å²	59	23%	0.231	28%	0.284	C	S	.	.	H	α-helix	trans	-58.2	-32.1	-165.7	-55.6	-61.1	0	0	0	114.9	K183 V188 V189 A212 A215	K183-Y185 HydrophobicContact CB-CE2 3.77Å; K183-Y185 HydrophobicContact CG-CE2 4.46Å; K183-Y185 VanDerWaalsContact O-CD2 3.26Å; K183-Y185 WeakPolarHBondContact O-CD2 3.44Å; K183-Y185 WeakPolarHBondContact O-CE2 3.46Å; K183-Y185 PolarHBondContact O-N 3.35Å; Y185-V188 PolarHBondContact O-N 2.62Å; Y185-V189 WeakPolarHBondContact O-CG2 3.47Å; Y185-V189 PolarHBondContact O-N 2.98Å; Y185-A212 HydrophobicContact CD1-CB 4Å; Y185-A212 HydrophobicContact CG-CB 4.43Å; Y185-A215 HydrophobicContact CD1-CB 3.85Å; Y185-A215 HydrophobicContact CD2-CB 3.61Å; Y185-A215 HydrophobicContact CE1-CB 3.71Å; Y185-A215 HydrophobicContact CE2-CB 3.46Å; Y185-A215 VanDerWaalsContact CE2-CB 3.46Å; Y185-A215 HydrophobicContact CG-CB 3.79Å; Y185-A215 VanDerWaalsContact CZ-CB 3.5Å
186	N	92.8	Very high	89.6	Confident	120 Å²	120	55 Å²	55	64%	0.642	27%	0.266	S	S	*	.	H	α-helix	trans	-67.3	-37.7	174.1	-65	-33.8	0	0	0	112.8	R184 V189 S190 L216	R184-N186 VanDerWaalsContact C-N 3.27Å; R184-N186 PolarHBondContact O-N 3.05Å; R184-N186 VanDerWaalsContact O-N 3.11Å; N186-V189 PolarHBondContact O-N 2.82Å; N186-S190 PolarHBondContact O-N 2.88Å; N186-S190 VanDerWaalsContact O-N 3.16Å; N186-L216 WeakPolarHBondContact OD1-CD1 3.33Å
187	E	92.4	Very high	89.6	Confident	64 Å²	64	64.3 Å²	64.3	30%	0.299	30%	0.301	S	S	.	.	H	α-helix	trans	-65.7	-44.9	175.8	-162.7	-172.9	110.2	0	0	110	S179 R184 V189 S190 L191	S179-E187 WeakPolarHBondContact CB-OE1 3.43Å; S179-E187 PolarHBondContact OG-OE1 2.8Å; R184-E187 HydrophobicContact CB-CB 3.94Å; R184-E187 WeakPolarHBondContact CD-OE2 3.31Å; R184-E187 IonicContact CZ-OE2 3.97Å; R184-E187 IonicContact NE-OE2 2.7Å; R184-E187 IonicContact NH1-OE1 3.81Å; R184-E187 IonicContact NH1-OE2 2.97Å; R184-E187 PolarHBondContact NH1-OE2 3.24Å; R184-E187 WeakPolarHBondContact O-CA 3.34Å; R184-E187 VanDerWaalsContact O-CB 3.26Å; R184-E187 WeakPolarHBondContact O-CB 3.26Å; R184-E187 PolarHBondContact O-N 2.98Å; E187-V189 PolarHBondContact O-N 3.08Å; E187-S190 PolarHBondContact O-N 2.96Å; E187-L191 HydrophobicContact CG-CD1 4.19Å; E187-L191 WeakPolarHBondContact O-CG 3.44Å; E187-L191 PolarHBondContact O-N 3.33Å
188	V	92.1	Very high	89.6	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-57.3	-47.6	173.5	175.6	0	0	0	0	111.6	V176 C180 R184 Y185 S190 A192 S208 A212	V176-V188 HydrophobicContact CG1-CG1 4.24Å; C180-V188 HydrophobicContact CB-CG2 4.4Å; C180-V188 VanDerWaalsContact N-CG2 3.34Å; C180-V188 WeakPolarHBondContact SG-CG1 3.34Å; R184-V188 PolarHBondContact O-N 2.74Å; R184-V188 VanDerWaalsContact O-N 3.08Å; Y185-V188 PolarHBondContact O-N 2.62Å; V188-S190 VanDerWaalsContact C-N 3.31Å; V188-S190 PolarHBondContact O-N 3.21Å; V188-A192 WeakPolarHBondContact O-CB 3.23Å; V188-A192 PolarHBondContact O-N 3.13Å; V188-S208 WeakPolarHBondContact CG1-O 3.34Å; V188-A212 HydrophobicContact CB-CB 3.94Å; V188-A212 HydrophobicContact CG1-CB 3.65Å
189	V	93.3	Very high	89.4	Confident	26 Å²	26	67.1 Å²	67.1	16%	0.158	33%	0.326	C	S	.	.	H	α-helix	trans	-61.3	-38.8	179.7	167.6	0	0	0	0	111.6	Y185 N186 E187 S193 R209 A212 Y213 L216	Y185-V189 WeakPolarHBondContact O-CG2 3.47Å; Y185-V189 PolarHBondContact O-N 2.98Å; N186-V189 PolarHBondContact O-N 2.82Å; E187-V189 PolarHBondContact O-N 3.08Å; V189-S193 WeakPolarHBondContact O-CB 3.16Å; V189-S193 PolarHBondContact O-N 3.39Å; V189-S193 VanDerWaalsContact O-N 3.15Å; V189-S193 PolarHBondContact O-OG 3.47Å; V189-R209 HydrophobicContact CG2-CG 4.21Å; V189-A212 HydrophobicContact CG2-CB 3.78Å; V189-Y213 HydrophobicContact CB-CE1 4.43Å; V189-Y213 HydrophobicContact CG1-CE1 3.68Å; V189-Y213 HydrophobicContact CG2-CD1 3.85Å; V189-Y213 HydrophobicContact CG2-CE1 3.74Å; V189-L216 HydrophobicContact CG2-CD1 4.06Å
190	S	93.1	Very high	89.2	Confident	66 Å²	66	70.7 Å²	70.7	46%	0.462	35%	0.349	S	S	.	.	H	α-helix	trans	-66	-61.8	175.3	-161.2	0	0	0	0	111.1	N186 E187 V188 A192 S193 D194	N186-S190 PolarHBondContact O-N 2.88Å; N186-S190 VanDerWaalsContact O-N 3.16Å; E187-S190 PolarHBondContact O-N 2.96Å; V188-S190 VanDerWaalsContact C-N 3.31Å; V188-S190 PolarHBondContact O-N 3.21Å; S190-A192 VanDerWaalsContact C-N 3.33Å; S190-A192 PolarHBondContact O-N 3.33Å; S190-S193 WeakPolarHBondContact O-CA 3.4Å; S190-S193 WeakPolarHBondContact O-CB 3.45Å; S190-S193 PolarHBondContact O-N 3.49Å; S190-D194 PolarHBondContact O-N 3.13Å
191	L	91.2	Very high	88.8	Confident	50 Å²	50	73.9 Å²	73.9	26%	0.262	37%	0.371	S	S	.	.	H	α-helix	trans	-56.5	-45.2	-175.1	-68.2	172.6	0	0	0	112.1	E175 V176 E187 S193 D194 I195	E175-L191 HydrophobicContact CG-CD1 4.14Å; V176-L191 HydrophobicContact CG2-CB 3.56Å; V176-L191 HydrophobicContact CG2-CD1 4.43Å; E187-L191 HydrophobicContact CG-CD1 4.19Å; E187-L191 WeakPolarHBondContact O-CG 3.44Å; E187-L191 PolarHBondContact O-N 3.33Å; L191-S193 VanDerWaalsContact C-N 3.34Å; L191-S193 PolarHBondContact O-N 3.04Å; L191-D194 PolarHBondContact O-N 2.81Å; L191-I195 WeakPolarHBondContact O-CG1 3.46Å; L191-I195 PolarHBondContact O-N 2.81Å
192	A	90.9	Very high	88.8	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-67.7	-33	177.6	0	0	0	0	0	112.8	V176 V188 S190 L196 A205 R209	V176-A192 HydrophobicContact CG1-CB 4.23Å; V188-A192 WeakPolarHBondContact O-CB 3.23Å; V188-A192 PolarHBondContact O-N 3.13Å; S190-A192 VanDerWaalsContact C-N 3.33Å; S190-A192 PolarHBondContact O-N 3.33Å; A192-L196 WeakPolarHBondContact O-CB 3.4Å; A192-L196 WeakPolarHBondContact O-CD1 3.35Å; A192-L196 WeakPolarHBondContact O-CG 3.45Å; A192-L196 PolarHBondContact O-N 3.42Å; A192-A205 HydrophobicContact CB-CB 4.22Å; A192-A205 WeakPolarHBondContact CB-O 3.43Å; A192-R209 HydrophobicContact CB-CB 3.85Å; A192-R209 HydrophobicContact CB-CG 4.3Å
193	S	92.1	Very high	88.4	Confident	29 Å²	29	64.6 Å²	64.6	20%	0.203	34%	0.336	C	S	.	.	H	α-helix	trans	-70.4	-33.9	175	-62.4	0	0	0	0	112.4	V189 S190 L191 L196 R197 R209	V189-S193 WeakPolarHBondContact O-CB 3.16Å; V189-S193 PolarHBondContact O-N 3.39Å; V189-S193 VanDerWaalsContact O-N 3.15Å; V189-S193 PolarHBondContact O-OG 3.47Å; S190-S193 WeakPolarHBondContact O-CA 3.4Å; S190-S193 WeakPolarHBondContact O-CB 3.45Å; S190-S193 PolarHBondContact O-N 3.49Å; L191-S193 VanDerWaalsContact C-N 3.34Å; L191-S193 PolarHBondContact O-N 3.04Å; S193-L196 PolarHBondContact O-N 2.89Å; S193-R197 VanDerWaalsContact O-CB 3.28Å; S193-R197 WeakPolarHBondContact O-CB 3.36Å; S193-R197 PolarHBondContact O-N 3.49Å; S193-R209 VanDerWaalsContact OG-CD 3.24Å; S193-R209 WeakPolarHBondContact OG-CD 3.38Å; S193-R209 PolarHBondContact OG-NH1 2.97Å
194	D	90.1	Very high	88.1	Confident	65 Å²	65	59.1 Å²	59.1	35%	0.348	31%	0.314	S	S	.	.	H	α-helix	trans	-73	-36.3	177	-65.6	-37.4	0	0	0	112.3	S190 L191 R197 S198	S190-D194 PolarHBondContact O-N 3.13Å; L191-D194 PolarHBondContact O-N 2.81Å; D194-R197 PolarHBondContact O-N 3.32Å; D194-R197 IonicContact OD1-CZ 3.36Å; D194-R197 IonicContact OD1-NE 3.38Å; D194-R197 PolarHBondContact OD1-NE 3Å; D194-R197 IonicContact OD1-NH2 2.65Å; D194-R197 PolarHBondContact OD1-NH2 2.81Å; D194-S198 PolarHBondContact O-N 2.8Å; D194-S198 PolarHBondContact O-OG 3.14Å
195	I	87.2	Confident	87.7	Confident	23 Å²	23	53.1 Å²	53.1	12%	0.118	29%	0.291	C	S	.	.	H	α-helix	trans	-62	-48.5	166.8	-64.7	170.9	0	0	0	110.4	L173 V176 L191 R197 S198 D199 V202 A205	L173-I195 HydrophobicContact CD2-CD1 3.8Å; L173-I195 HydrophobicContact CD2-CG2 4.29Å; L173-I195 HydrophobicContact CG-CD1 4.15Å; V176-I195 HydrophobicContact CG2-CD1 3.91Å; L191-I195 WeakPolarHBondContact O-CG1 3.46Å; L191-I195 PolarHBondContact O-N 2.81Å; I195-R197 PolarHBondContact O-N 2.81Å; I195-S198 PolarHBondContact O-N 3.16Å; I195-S198 VanDerWaalsContact O-N 3.11Å; I195-S198 PolarHBondContact O-OG 2.84Å; I195-D199 PolarHBondContact O-N 3.18Å; I195-V202 HydrophobicContact CG2-CB 4.13Å; I195-V202 HydrophobicContact CG2-CG1 4.14Å; I195-V202 HydrophobicContact CG2-CG2 4.11Å; I195-A205 HydrophobicContact CB-CB 4.18Å; I195-A205 HydrophobicContact CG2-CB 3.89Å
196	L	88.5	Confident	87.6	Confident	14 Å²	14	51.1 Å²	51.1	7%	0.073	28%	0.283	C	S	.	.	H	α-helix	trans	-70.4	-17.8	-179.3	-69.3	168.3	0	0	0	114.2	A192 S193 P200 A205 R206	A192-L196 WeakPolarHBondContact O-CB 3.4Å; A192-L196 WeakPolarHBondContact O-CD1 3.35Å; A192-L196 WeakPolarHBondContact O-CG 3.45Å; A192-L196 PolarHBondContact O-N 3.42Å; S193-L196 PolarHBondContact O-N 2.89Å; L196-P200 WeakPolarHBondContact O-CG 3.47Å; L196-A205 HydrophobicContact CD1-CB 4.41Å; L196-A205 HydrophobicContact CD2-CB 4.23Å; L196-A205 HydrophobicContact CG-CB 4Å; L196-R206 HydrophobicContact CD1-CB 3.98Å; L196-R206 HydrophobicContact CD1-CG 4.5Å; L196-R206 HydrophobicContact CD2-CB 4.12Å
197	R	89	Confident	87.3	Confident	196 Å²	196	45.9 Å²	45.9	74%	0.74	26%	0.255	S	S	*	.	H	α-helix	trans	-75.4	-30	171.6	-164.1	-162.8	-51	-139.2	7.3	111.9	S193 D194 I195	S193-R197 VanDerWaalsContact O-CB 3.28Å; S193-R197 WeakPolarHBondContact O-CB 3.36Å; S193-R197 PolarHBondContact O-N 3.49Å; D194-R197 PolarHBondContact O-N 3.32Å; D194-R197 IonicContact OD1-CZ 3.36Å; D194-R197 IonicContact OD1-NE 3.38Å; D194-R197 PolarHBondContact OD1-NE 3Å; D194-R197 IonicContact OD1-NH2 2.65Å; D194-R197 PolarHBondContact OD1-NH2 2.81Å; I195-R197 PolarHBondContact O-N 2.81Å
198	S	84.3	Confident	87.1	Confident	99 Å²	99	43.2 Å²	43.2	69%	0.692	24%	0.244	S	C	*	.	H	α-helix	trans	-94.7	-36.5	179.9	46.6	0	0	0	0	112.7	D194 I195	D194-S198 PolarHBondContact O-N 2.8Å; D194-S198 PolarHBondContact O-OG 3.14Å; I195-S198 PolarHBondContact O-N 3.16Å; I195-S198 VanDerWaalsContact O-N 3.11Å; I195-S198 PolarHBondContact O-OG 2.84Å
199	D	79.3	Confident	87.1	Confident	51 Å²	51	45.1 Å²	45.1	27%	0.273	25%	0.251	S	S	.	.			trans	-140.5	96.8	171.7	-175.5	-9.6	0	0	0	111.3	I195 S201 V202	I195-D199 PolarHBondContact O-N 3.18Å; D199-S201 PolarHBondContact O-N 2.93Å; D199-S201 VanDerWaalsContact O-N 3.12Å; D199-S201 WeakPolarHBondContact OD1-CA 3.34Å; D199-S201 WeakPolarHBondContact OD1-CB 3.5Å; D199-S201 PolarHBondContact OD1-N 2.81Å; D199-S201 PolarHBondContact OD1-OG 2.75Å; D199-S201 PolarHBondContact OD2-OG 2.84Å; D199-V202 HydrophobicContact CB-CG2 3.76Å; D199-V202 WeakPolarHBondContact O-CG2 3.47Å; D199-V202 PolarHBondContact O-N 3.04Å
200	P	83.3	Confident	87	Confident	76 Å²	76	44 Å²	44	49%	0.494	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-12.5	177	-22.8	32.9	0	0	0	115	L196 V202 R206	L196-P200 WeakPolarHBondContact O-CG 3.47Å; P200-V202 VanDerWaalsContact C-N 3.34Å; P200-R206 VanDerWaalsContact O-CZ 3.3Å; P200-R206 PolarHBondContact O-NH1 3.08Å; P200-R206 PolarHBondContact O-NH2 2.97Å
201	S	77.6	Confident	86.9	Confident	78 Å²	78	43.6 Å²	43.6	55%	0.545	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-15.5	-178.1	79.3	0	0	0	0	113.5	D199 T203	D199-S201 PolarHBondContact O-N 2.93Å; D199-S201 VanDerWaalsContact O-N 3.12Å; D199-S201 WeakPolarHBondContact OD1-CA 3.34Å; D199-S201 WeakPolarHBondContact OD1-CB 3.5Å; D199-S201 PolarHBondContact OD1-N 2.81Å; D199-S201 PolarHBondContact OD1-OG 2.75Å; D199-S201 PolarHBondContact OD2-OG 2.84Å; S201-T203 VanDerWaalsContact C-N 3.33Å; S201-T203 PolarHBondContact O-N 2.7Å; S201-T203 PolarHBondContact O-OG1 3.26Å
202	V	81.9	Confident	86.9	Confident	24 Å²	24	41.2 Å²	41.2	15%	0.145	22%	0.222	C	C	.	.			trans	-67.8	87.6	-174.6	-173.2	0	0	0	0	111.4	L173 I195 D199 P200 L204 A205 R206	L173-V202 HydrophobicContact CD1-CG1 3.89Å; L173-V202 HydrophobicContact CD2-CG1 3.62Å; L173-V202 HydrophobicContact CG-CG1 4.39Å; I195-V202 HydrophobicContact CG2-CB 4.13Å; I195-V202 HydrophobicContact CG2-CG1 4.14Å; I195-V202 HydrophobicContact CG2-CG2 4.11Å; D199-V202 HydrophobicContact CB-CG2 3.76Å; D199-V202 WeakPolarHBondContact O-CG2 3.47Å; D199-V202 PolarHBondContact O-N 3.04Å; P200-V202 VanDerWaalsContact C-N 3.34Å; V202-L204 PolarHBondContact O-N 2.99Å; V202-A205 HydrophobicContact CB-CB 4.39Å; V202-A205 HydrophobicContact CG1-CB 3.98Å; V202-A205 PolarHBondContact O-N 2.84Å; V202-R206 PolarHBondContact O-N 2.7Å
203	T	82	Confident	87.1	Confident	39 Å²	39	42.4 Å²	42.4	24%	0.239	23%	0.227	C	C	.	.	H	α-helix	trans	-54.3	-37.9	-177.3	-66.4	0	0	0	0	111.9	S201 R206 L207 C229	S201-T203 VanDerWaalsContact C-N 3.33Å; S201-T203 PolarHBondContact O-N 2.7Å; S201-T203 PolarHBondContact O-OG1 3.26Å; T203-R206 PolarHBondContact O-N 2.95Å; T203-L207 HydrophobicContact CG2-CD1 3.91Å; T203-L207 HydrophobicContact CG2-CG 4.41Å; T203-L207 WeakPolarHBondContact O-CG 3.35Å; T203-L207 PolarHBondContact O-N 3.32Å; T203-C229 HydrophobicContact CG2-CB 4.37Å
204	L	82.1	Confident	87.1	Confident	37 Å²	37	42.1 Å²	42.1	19%	0.194	22%	0.224	C	C	.	.	H	α-helix	trans	-62.2	-53.6	179.3	-174.9	85.7	0	0	0	113.1	R128 L173 E177 V202 R206 L207 S208	R128-L204 VanDerWaalsContact NH1-CD1 3.27Å; L173-L204 HydrophobicContact CB-CD2 3.76Å; L173-L204 HydrophobicContact CD1-CD2 4.4Å; L173-L204 HydrophobicContact CD2-CB 4.39Å; L173-L204 HydrophobicContact CD2-CD2 3.63Å; L173-L204 HydrophobicContact CG-CD2 4.13Å; E177-L204 HydrophobicContact CG-CD2 4.08Å; E177-L204 WeakPolarHBondContact OE1-CD1 3.31Å; E177-L204 WeakPolarHBondContact OE1-CD2 3.39Å; V202-L204 PolarHBondContact O-N 2.99Å; L204-R206 PolarHBondContact O-N 3.32Å; L204-L207 PolarHBondContact O-N 3.01Å; L204-S208 PolarHBondContact O-N 3.12Å; L204-S208 PolarHBondContact O-OG 3.22Å
205	A	86.5	Confident	87.1	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-55.3	-39.3	-178.7	0	0	0	0	0	110.4	L173 A192 I195 L196 V202 R209	L173-A205 HydrophobicContact CD2-CB 3.91Å; A192-A205 HydrophobicContact CB-CB 4.22Å; A192-A205 WeakPolarHBondContact CB-O 3.43Å; I195-A205 HydrophobicContact CB-CB 4.18Å; I195-A205 HydrophobicContact CG2-CB 3.89Å; L196-A205 HydrophobicContact CD1-CB 4.41Å; L196-A205 HydrophobicContact CD2-CB 4.23Å; L196-A205 HydrophobicContact CG-CB 4Å; V202-A205 HydrophobicContact CB-CB 4.39Å; V202-A205 HydrophobicContact CG1-CB 3.98Å; V202-A205 PolarHBondContact O-N 2.84Å; A205-R209 VanDerWaalsContact O-CB 3.3Å; A205-R209 WeakPolarHBondContact O-CB 3.46Å; A205-R209 PolarHBondContact O-N 2.77Å
206	R	89.1	Confident	87.4	Confident	17 Å²	17	42.7 Å²	42.7	6%	0.064	23%	0.234	C	C	.	.	H	α-helix	trans	-64.9	-42.4	175.3	-171.7	172	-72.5	102.2	-10.4	113.5	L196 P200 V202 T203 L204 R209 A210 D225 F228 C229	L196-R206 HydrophobicContact CD1-CB 3.98Å; L196-R206 HydrophobicContact CD1-CG 4.5Å; L196-R206 HydrophobicContact CD2-CB 4.12Å; P200-R206 VanDerWaalsContact O-CZ 3.3Å; P200-R206 PolarHBondContact O-NH1 3.08Å; P200-R206 PolarHBondContact O-NH2 2.97Å; V202-R206 PolarHBondContact O-N 2.7Å; T203-R206 PolarHBondContact O-N 2.95Å; L204-R206 PolarHBondContact O-N 3.32Å; R206-R209 PolarHBondContact O-N 3.34Å; R206-A210 WeakPolarHBondContact O-CB 3.45Å; R206-A210 PolarHBondContact O-N 2.96Å; R206-D225 VanDerWaalsContact CD-O 3.26Å; R206-D225 WeakPolarHBondContact CD-O 3.14Å; R206-D225 HydrophobicContact CG-CB 3.51Å; R206-D225 VanDerWaalsContact CG-CG 3.5Å; R206-D225 WeakPolarHBondContact CG-OD1 3.47Å; R206-D225 IonicContact NE-OD1 2.69Å; R206-F228 VanDerWaalsContact CZ-CD1 3.43Å; R206-F228 VanDerWaalsContact CZ-CE1 3.49Å; R206-C229 VanDerWaalsContact CD-SG 3.53Å; R206-C229 VanDerWaalsContact CG-SG 3.57Å
207	L	87	Confident	87.6	Confident	10 Å²	10	49.2 Å²	49.2	5%	0.052	26%	0.262	C	S	.	.	H	α-helix	trans	-66.8	-42.4	175.7	-68.3	170.5	0	0	0	112.4	T203 L204 R209 A210 E211 C229 E237 A238 R241	T203-L207 HydrophobicContact CG2-CD1 3.91Å; T203-L207 HydrophobicContact CG2-CG 4.41Å; T203-L207 WeakPolarHBondContact O-CG 3.35Å; T203-L207 PolarHBondContact O-N 3.32Å; L204-L207 PolarHBondContact O-N 3.01Å; L207-R209 VanDerWaalsContact C-N 3.31Å; L207-R209 PolarHBondContact O-N 2.68Å; L207-A210 PolarHBondContact O-N 3.37Å; L207-E211 PolarHBondContact O-N 3.25Å; L207-C229 HydrophobicContact CD2-CB 3.7Å; L207-C229 HydrophobicContact CG-CB 4.21Å; L207-E237 HydrophobicContact CD1-CG 4.05Å; L207-A238 HydrophobicContact CD1-CB 4.47Å; L207-A238 HydrophobicContact CD2-CB 4.11Å; L207-R241 HydrophobicContact CD2-CB 4.02Å; L207-R241 HydrophobicContact CD2-CG 4.05Å
208	S	88.2	Confident	87.8	Confident	8 Å²	8	44.1 Å²	44.1	6%	0.056	25%	0.246	C	C	.	.	H	α-helix	trans	-62.8	-37.2	173.2	-65	0	0	0	0	112.3	V176 V188 L204 E211 A212	V176-S208 VanDerWaalsContact CG1-CB 3.49Å; V188-S208 WeakPolarHBondContact CG1-O 3.34Å; L204-S208 PolarHBondContact O-N 3.12Å; L204-S208 PolarHBondContact O-OG 3.22Å; S208-E211 PolarHBondContact O-N 3.38Å; S208-A212 PolarHBondContact O-N 2.93Å
209	R	93.2	Very high	88.2	Confident	40 Å²	40	42.3 Å²	42.3	15%	0.151	23%	0.225	C	C	.	.	H	α-helix	trans	-70.1	-38.5	174.8	-161.7	173.9	64.9	174	2	112.2	V189 A192 S193 A205 R206 L207 A212 Y213 D225	V189-R209 HydrophobicContact CG2-CG 4.21Å; A192-R209 HydrophobicContact CB-CB 3.85Å; A192-R209 HydrophobicContact CB-CG 4.3Å; S193-R209 VanDerWaalsContact OG-CD 3.24Å; S193-R209 WeakPolarHBondContact OG-CD 3.38Å; S193-R209 PolarHBondContact OG-NH1 2.97Å; A205-R209 VanDerWaalsContact O-CB 3.3Å; A205-R209 WeakPolarHBondContact O-CB 3.46Å; A205-R209 PolarHBondContact O-N 2.77Å; R206-R209 PolarHBondContact O-N 3.34Å; L207-R209 VanDerWaalsContact C-N 3.31Å; L207-R209 PolarHBondContact O-N 2.68Å; R209-A212 PolarHBondContact O-N 3.44Å; R209-Y213 HydrophobicContact CG-CD2 3.92Å; R209-Y213 HydrophobicContact CG-CE2 3.53Å; R209-Y213 WeakPolarHBondContact O-CB 3Å; R209-Y213 WeakPolarHBondContact O-CD2 3.39Å; R209-Y213 PolarHBondContact O-N 2.85Å; R209-D225 IonicContact CZ-OD1 3.27Å; R209-D225 IonicContact CZ-OD2 2.7Å; R209-D225 VanDerWaalsContact CZ-OD2 3.26Å; R209-D225 IonicContact NE-OD1 2.7Å; R209-D225 IonicContact NE-OD2 3.24Å; R209-D225 PolarHBondContact NE-OD2 3.15Å; R209-D225 VanDerWaalsContact NH2-CG 3.3Å; R209-D225 IonicContact NH2-OD1 3.58Å; R209-D225 PolarHBondContact NH2-OD1 2.95Å; R209-D225 IonicContact NH2-OD2 2.92Å; R209-D225 PolarHBondContact NH2-OD2 3.37Å
210	A	90.9	Very high	88.8	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.008	24%	0.242	C	C	.	.	H	α-helix	trans	-61.6	-43.4	172.5	0	0	0	0	0	112	R206 L207 Y213 T214 A222 D225 A226	R206-A210 WeakPolarHBondContact O-CB 3.45Å; R206-A210 PolarHBondContact O-N 2.96Å; L207-A210 PolarHBondContact O-N 3.37Å; A210-Y213 PolarHBondContact O-N 2.89Å; A210-T214 WeakPolarHBondContact O-CB 3.49Å; A210-T214 PolarHBondContact O-N 3.03Å; A210-T214 PolarHBondContact O-OG1 3.21Å; A210-A222 WeakPolarHBondContact O-CB 3.46Å; A210-D225 HydrophobicContact CB-CB 3.9Å; A210-A226 HydrophobicContact CB-CB 4.37Å
211	E	89.9	Confident	89.2	Confident	58 Å²	58	46.7 Å²	46.7	27%	0.271	23%	0.231	S	C	.	.	H	α-helix	trans	-57.3	-48.5	172.2	166.6	161.3	-128.4	0	0	111.7	L207 S208 T214 A215 R241	L207-E211 PolarHBondContact O-N 3.25Å; S208-E211 PolarHBondContact O-N 3.38Å; E211-T214 WeakPolarHBondContact O-CB 3.43Å; E211-T214 PolarHBondContact O-N 3.31Å; E211-A215 PolarHBondContact O-N 3.09Å; E211-R241 IonicContact OE1-CZ 3.81Å; E211-R241 IonicContact OE1-NH1 2.77Å; E211-R241 PolarHBondContact OE1-NH1 3.31Å; E211-R241 IonicContact OE1-NH2 3.41Å; E211-R241 IonicContact OE2-CZ 3.08Å; E211-R241 IonicContact OE2-NH1 2.7Å; E211-R241 PolarHBondContact OE2-NH1 3.48Å; E211-R241 IonicContact OE2-NH2 3.57Å; E211-R241 PolarHBondContact OE2-NH2 2.87Å
212	A	92.5	Very high	89.9	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.4	-43.1	177.7	0	0	0	0	0	113.3	Y185 V188 V189 S208 R209 T214 A215 L216	Y185-A212 HydrophobicContact CD1-CB 4Å; Y185-A212 HydrophobicContact CG-CB 4.43Å; V188-A212 HydrophobicContact CB-CB 3.94Å; V188-A212 HydrophobicContact CG1-CB 3.65Å; V189-A212 HydrophobicContact CG2-CB 3.78Å; S208-A212 PolarHBondContact O-N 2.93Å; R209-A212 PolarHBondContact O-N 3.44Å; A212-T214 VanDerWaalsContact C-N 3.29Å; A212-T214 PolarHBondContact O-N 3.13Å; A212-A215 PolarHBondContact O-N 3.18Å; A212-L216 WeakPolarHBondContact O-CB 3.41Å; A212-L216 VanDerWaalsContact O-CG 3.25Å; A212-L216 WeakPolarHBondContact O-CG 3.46Å; A212-L216 PolarHBondContact O-N 2.91Å
213	Y	94.8	Very high	90.2	Very high	25 Å²	25	43.6 Å²	43.6	10%	0.098	21%	0.207	C	C	.	.	H	α-helix	trans	-62.2	-35.5	173.6	-74.4	-41.4	0	0	0	112.2	V189 R209 A210 L216 K217 Q218 L221	V189-Y213 HydrophobicContact CB-CE1 4.43Å; V189-Y213 HydrophobicContact CG1-CE1 3.68Å; V189-Y213 HydrophobicContact CG2-CD1 3.85Å; V189-Y213 HydrophobicContact CG2-CE1 3.74Å; R209-Y213 HydrophobicContact CG-CD2 3.92Å; R209-Y213 HydrophobicContact CG-CE2 3.53Å; R209-Y213 WeakPolarHBondContact O-CB 3Å; R209-Y213 WeakPolarHBondContact O-CD2 3.39Å; R209-Y213 PolarHBondContact O-N 2.85Å; A210-Y213 PolarHBondContact O-N 2.89Å; Y213-L216 CarbonylContact O-C 3.5Å; Y213-L216 PolarHBondContact O-N 3.08Å; Y213-K217 PolarHBondContact O-N 3.48Å; Y213-K217 VanDerWaalsContact O-N 3.16Å; Y213-Q218 HydrophobicContact CD1-CB 4.06Å; Y213-Q218 VanDerWaalsContact CD1-OE1 3.23Å; Y213-Q218 HydrophobicContact CG-CB 4.45Å; Y213-Q218 PolarHBondContact O-N 3.11Å; Y213-L221 HydrophobicContact CD1-CB 4.18Å; Y213-L221 HydrophobicContact CD1-CD1 4.19Å; Y213-L221 HydrophobicContact CD2-CB 3.54Å; Y213-L221 HydrophobicContact CE1-CB 4.3Å; Y213-L221 HydrophobicContact CE1-CD1 3.78Å; Y213-L221 HydrophobicContact CE2-CB 3.66Å; Y213-L221 HydrophobicContact CE2-CD1 4.35Å; Y213-L221 HydrophobicContact CG-CB 3.83Å
214	T	91.5	Very high	90.6	Very high	23 Å²	23	46.2 Å²	46.2	14%	0.141	22%	0.217	C	C	.	.	H	α-helix	trans	-63.8	-49.1	175.4	-51.3	0	0	0	0	110.7	A210 E211 A212 L216 K217 Y219 A222 E248	A210-T214 WeakPolarHBondContact O-CB 3.49Å; A210-T214 PolarHBondContact O-N 3.03Å; A210-T214 PolarHBondContact O-OG1 3.21Å; E211-T214 WeakPolarHBondContact O-CB 3.43Å; E211-T214 PolarHBondContact O-N 3.31Å; A212-T214 VanDerWaalsContact C-N 3.29Å; A212-T214 PolarHBondContact O-N 3.13Å; T214-L216 VanDerWaalsContact C-N 3.27Å; T214-L216 PolarHBondContact O-N 3.38Å; T214-K217 WeakPolarHBondContact O-CA 3.49Å; T214-K217 PolarHBondContact O-N 2.9Å; T214-Y219 HydrophobicContact CG2-CE1 4.45Å; T214-A222 WeakPolarHBondContact OG1-CB 3.39Å; T214-E248 HydrophobicContact CG2-CB 4Å; T214-E248 HydrophobicContact CG2-CG 3.89Å
215	A	90.3	Very high	90.9	Very high	48 Å²	48	45 Å²	45	40%	0.397	21%	0.211	S	C	.	.	H	α-helix	trans	-64.4	-30.9	177.9	0	0	0	0	0	113.1	Y185 E211 A212 K217	Y185-A215 HydrophobicContact CD1-CB 3.85Å; Y185-A215 HydrophobicContact CD2-CB 3.61Å; Y185-A215 HydrophobicContact CE1-CB 3.71Å; Y185-A215 HydrophobicContact CE2-CB 3.46Å; Y185-A215 VanDerWaalsContact CE2-CB 3.46Å; Y185-A215 HydrophobicContact CG-CB 3.79Å; Y185-A215 VanDerWaalsContact CZ-CB 3.5Å; E211-A215 PolarHBondContact O-N 3.09Å; A212-A215 PolarHBondContact O-N 3.18Å; A215-K217 PolarHBondContact O-N 3.33Å
216	L	93.4	Very high	90.8	Very high	53 Å²	53	45 Å²	45	28%	0.277	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	4.8	172.4	-66.4	169.3	0	0	0	113.7	N186 V189 A212 Y213 T214 Q218	N186-L216 WeakPolarHBondContact OD1-CD1 3.33Å; V189-L216 HydrophobicContact CG2-CD1 4.06Å; A212-L216 WeakPolarHBondContact O-CB 3.41Å; A212-L216 VanDerWaalsContact O-CG 3.25Å; A212-L216 WeakPolarHBondContact O-CG 3.46Å; A212-L216 PolarHBondContact O-N 2.91Å; Y213-L216 CarbonylContact O-C 3.5Å; Y213-L216 PolarHBondContact O-N 3.08Å; T214-L216 VanDerWaalsContact C-N 3.27Å; T214-L216 PolarHBondContact O-N 3.38Å; L216-Q218 HydrophobicContact CB-CG 4.21Å; L216-Q218 PolarHBondContact O-N 3.45Å
217	K	92.4	Very high	90.6	Very high	151 Å²	151	46.6 Å²	46.6	66%	0.657	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	21.4	-177	-51.8	-169.3	179.3	-172.2	0	114.8	Y213 T214 A215 Y219	Y213-K217 PolarHBondContact O-N 3.48Å; Y213-K217 VanDerWaalsContact O-N 3.16Å; T214-K217 WeakPolarHBondContact O-CA 3.49Å; T214-K217 PolarHBondContact O-N 2.9Å; A215-K217 PolarHBondContact O-N 3.33Å; K217-Y219 HydrophobicContact CB-CE2 3.77Å; K217-Y219 HydrophobicContact CG-CE2 4.41Å; K217-Y219 VanDerWaalsContact O-CD2 3.23Å; K217-Y219 WeakPolarHBondContact O-CD2 3.47Å; K217-Y219 PolarHBondContact O-N 3.46Å; K217-Y219 VanDerWaalsContact O-N 3.1Å
218	Q	94.1	Very high	90.5	Very high	89 Å²	89	50.7 Å²	50.7	42%	0.416	24%	0.236	S	C	.	.			trans	-87.4	52.1	176.5	-62.1	-173.1	1.5	0	0	110.8	Y213 L216 R220 L221 A222	Y213-Q218 HydrophobicContact CD1-CB 4.06Å; Y213-Q218 VanDerWaalsContact CD1-OE1 3.23Å; Y213-Q218 HydrophobicContact CG-CB 4.45Å; Y213-Q218 PolarHBondContact O-N 3.11Å; L216-Q218 HydrophobicContact CB-CG 4.21Å; L216-Q218 PolarHBondContact O-N 3.45Å; Q218-R220 VanDerWaalsContact C-N 3.26Å; Q218-R220 PolarHBondContact O-N 2.84Å; Q218-L221 HydrophobicContact CB-CD1 4.48Å; Q218-L221 PolarHBondContact O-N 3.35Å; Q218-A222 PolarHBondContact O-N 3.05Å
219	Y	92	Very high	89.9	Confident	61 Å²	61	50.3 Å²	50.3	24%	0.239	23%	0.234	C	C	.	.	H	α-helix	trans	-54.6	-33.5	-164.8	-55.8	-71.2	0	0	0	115.2	T214 K217 A222 L223 E248 M249	T214-Y219 HydrophobicContact CG2-CE1 4.45Å; K217-Y219 HydrophobicContact CB-CE2 3.77Å; K217-Y219 HydrophobicContact CG-CE2 4.41Å; K217-Y219 VanDerWaalsContact O-CD2 3.23Å; K217-Y219 WeakPolarHBondContact O-CD2 3.47Å; K217-Y219 PolarHBondContact O-N 3.46Å; K217-Y219 VanDerWaalsContact O-N 3.1Å; Y219-A222 PolarHBondContact O-N 3.04Å; Y219-L223 WeakPolarHBondContact O-CB 3.35Å; Y219-L223 PolarHBondContact O-N 3.33Å; Y219-E248 HydrophobicContact CE1-CB 3.78Å; Y219-E248 PolarHBondContact OH-O 3.23Å; Y219-M249 HydrophobicContact CD1-CG 3.77Å; Y219-M249 HydrophobicContact CD2-CG 4.38Å; Y219-M249 HydrophobicContact CG-CG 3.65Å
220	R	92.1	Very high	88.8	Confident	168 Å²	168	49 Å²	49	63%	0.634	23%	0.231	S	C	*	.	H	α-helix	trans	-59.8	-47.5	176	-175.6	178.4	74.4	88.2	-3.3	111.9	Q218 L223 E224	Q218-R220 VanDerWaalsContact C-N 3.26Å; Q218-R220 PolarHBondContact O-N 2.84Å; R220-L223 PolarHBondContact O-N 3.08Å; R220-E224 VanDerWaalsContact CG-OE1 3.23Å; R220-E224 WeakPolarHBondContact CG-OE1 3.42Å; R220-E224 IonicContact CZ-OE1 3.92Å; R220-E224 IonicContact NE-OE1 3.58Å; R220-E224 VanDerWaalsContact NH1-CD 3.31Å; R220-E224 IonicContact NH1-OE1 3.2Å; R220-E224 PolarHBondContact NH1-OE1 3Å; R220-E224 IonicContact NH1-OE2 3.17Å; R220-E224 PolarHBondContact NH1-OE2 3.42Å; R220-E224 WeakPolarHBondContact O-CG 3.38Å; R220-E224 PolarHBondContact O-N 3.16Å
221	L	92.6	Very high	87.9	Confident	50 Å²	50	57.1 Å²	57.1	26%	0.262	26%	0.261	S	S	.	.	H	α-helix	trans	-70.3	-36.6	-179.4	-57.7	179.5	0	0	0	111.1	Y213 Q218 E224 D225	Y213-L221 HydrophobicContact CD1-CB 4.18Å; Y213-L221 HydrophobicContact CD1-CD1 4.19Å; Y213-L221 HydrophobicContact CD2-CB 3.54Å; Y213-L221 HydrophobicContact CE1-CB 4.3Å; Y213-L221 HydrophobicContact CE1-CD1 3.78Å; Y213-L221 HydrophobicContact CE2-CB 3.66Å; Y213-L221 HydrophobicContact CE2-CD1 4.35Å; Y213-L221 HydrophobicContact CG-CB 3.83Å; Q218-L221 HydrophobicContact CB-CD1 4.48Å; Q218-L221 PolarHBondContact O-N 3.35Å; L221-E224 PolarHBondContact O-N 3.48Å; L221-D225 PolarHBondContact O-N 2.84Å; L221-D225 VanDerWaalsContact O-N 3.1Å
222	A	91.4	Very high	86.5	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.7	-43.6	173.3	0	0	0	0	0	112.3	A210 T214 Q218 Y219 A226 V245	A210-A222 WeakPolarHBondContact O-CB 3.46Å; T214-A222 WeakPolarHBondContact OG1-CB 3.39Å; Q218-A222 PolarHBondContact O-N 3.05Å; Y219-A222 PolarHBondContact O-N 3.04Å; A222-A226 VanDerWaalsContact O-CB 3.28Å; A222-A226 WeakPolarHBondContact O-CB 3.45Å; A222-A226 PolarHBondContact O-N 3.28Å; A222-V245 HydrophobicContact CB-CG1 3.9Å; A222-V245 HydrophobicContact CB-CG2 3.84Å
223	L	89.2	Confident	84.9	Confident	38 Å²	38	59.6 Å²	59.6	20%	0.199	29%	0.285	C	S	.	.	H	α-helix	trans	-69.4	-41.7	179.1	-172.6	59.8	0	0	0	111.5	Y219 R220 D225 A226 E227 K242 V245 L246 M249	Y219-L223 WeakPolarHBondContact O-CB 3.35Å; Y219-L223 PolarHBondContact O-N 3.33Å; R220-L223 PolarHBondContact O-N 3.08Å; L223-D225 PolarHBondContact O-N 3.44Å; L223-A226 PolarHBondContact O-N 3.47Å; L223-E227 HydrophobicContact CD1-CG 4.04Å; L223-E227 HydrophobicContact CG-CG 4.2Å; L223-E227 WeakPolarHBondContact O-CB 3.45Å; L223-E227 VanDerWaalsContact O-CG 3.29Å; L223-E227 WeakPolarHBondContact O-CG 3.43Å; L223-E227 PolarHBondContact O-N 3.14Å; L223-K242 HydrophobicContact CD1-CG 4.15Å; L223-V245 HydrophobicContact CB-CG1 4.02Å; L223-V245 HydrophobicContact CD1-CG1 4.48Å; L223-L246 HydrophobicContact CD1-CD2 4.09Å; L223-L246 HydrophobicContact CD1-CG 4.43Å; L223-M249 HydrophobicContact CD2-SD 4.42Å
224	E	89.4	Confident	83.6	Confident	93 Å²	93	66.5 Å²	66.5	44%	0.435	31%	0.312	S	S	.	.	H	α-helix	trans	-58	-46	176	-78.5	164.9	-163.9	0	0	112.2	R220 L221 F228	R220-E224 VanDerWaalsContact CG-OE1 3.23Å; R220-E224 WeakPolarHBondContact CG-OE1 3.42Å; R220-E224 IonicContact CZ-OE1 3.92Å; R220-E224 IonicContact NE-OE1 3.58Å; R220-E224 VanDerWaalsContact NH1-CD 3.31Å; R220-E224 IonicContact NH1-OE1 3.2Å; R220-E224 PolarHBondContact NH1-OE1 3Å; R220-E224 IonicContact NH1-OE2 3.17Å; R220-E224 PolarHBondContact NH1-OE2 3.42Å; R220-E224 WeakPolarHBondContact O-CG 3.38Å; R220-E224 PolarHBondContact O-N 3.16Å; L221-E224 PolarHBondContact O-N 3.48Å; E224-F228 PolarHBondContact O-N 3.12Å; E224-F228 VanDerWaalsContact O-N 3.12Å
225	D	87.8	Confident	82.9	Confident	13 Å²	13	67 Å²	67	7%	0.07	32%	0.316	C	S	.	.	H	α-helix	trans	-67.3	-44	176.1	-87.2	-20.9	0	0	0	112.2	R206 R209 A210 L221 L223 F228 C229	R206-D225 VanDerWaalsContact CD-O 3.26Å; R206-D225 WeakPolarHBondContact CD-O 3.14Å; R206-D225 HydrophobicContact CG-CB 3.51Å; R206-D225 VanDerWaalsContact CG-CG 3.5Å; R206-D225 WeakPolarHBondContact CG-OD1 3.47Å; R206-D225 IonicContact NE-OD1 2.69Å; R209-D225 IonicContact CZ-OD1 3.27Å; R209-D225 IonicContact CZ-OD2 2.7Å; R209-D225 VanDerWaalsContact CZ-OD2 3.26Å; R209-D225 IonicContact NE-OD1 2.7Å; R209-D225 IonicContact NE-OD2 3.24Å; R209-D225 PolarHBondContact NE-OD2 3.15Å; R209-D225 VanDerWaalsContact NH2-CG 3.3Å; R209-D225 IonicContact NH2-OD1 3.58Å; R209-D225 PolarHBondContact NH2-OD1 2.95Å; R209-D225 IonicContact NH2-OD2 2.92Å; R209-D225 PolarHBondContact NH2-OD2 3.37Å; A210-D225 HydrophobicContact CB-CB 3.9Å; L221-D225 PolarHBondContact O-N 2.84Å; L221-D225 VanDerWaalsContact O-N 3.1Å; L223-D225 PolarHBondContact O-N 3.44Å; D225-F228 PolarHBondContact O-N 3.09Å; D225-C229 PolarHBondContact O-N 2.67Å; D225-C229 VanDerWaalsContact O-N 3.11Å; D225-C229 PolarHBondContact O-SG 2.92Å
226	A	84.8	Confident	82.3	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-68.2	-35.5	179.7	0	0	0	0	0	113.3	A210 A222 L223 S230 K242 V245	A210-A226 HydrophobicContact CB-CB 4.37Å; A222-A226 VanDerWaalsContact O-CB 3.28Å; A222-A226 WeakPolarHBondContact O-CB 3.45Å; A222-A226 PolarHBondContact O-N 3.28Å; L223-A226 PolarHBondContact O-N 3.47Å; A226-S230 WeakPolarHBondContact O-CB 3.38Å; A226-S230 PolarHBondContact O-N 3.29Å; A226-S230 PolarHBondContact O-OG 2.91Å; A226-K242 HydrophobicContact CB-CB 4.04Å; A226-V245 HydrophobicContact CB-CG2 4.36Å
227	E	85.8	Confident	81.7	Confident	49 Å²	49	65.8 Å²	65.8	23%	0.229	30%	0.303	C	S	.	.	H	α-helix	trans	-68.3	-40.9	173.6	-74.5	-141	131.8	0	0	112.3	L223 C229 S230 R231 K242	L223-E227 HydrophobicContact CD1-CG 4.04Å; L223-E227 HydrophobicContact CG-CG 4.2Å; L223-E227 WeakPolarHBondContact O-CB 3.45Å; L223-E227 VanDerWaalsContact O-CG 3.29Å; L223-E227 WeakPolarHBondContact O-CG 3.43Å; L223-E227 PolarHBondContact O-N 3.14Å; E227-C229 VanDerWaalsContact C-N 3.34Å; E227-C229 PolarHBondContact O-N 3.38Å; E227-S230 PolarHBondContact O-N 3.49Å; E227-R231 VanDerWaalsContact CD-NH2 3.34Å; E227-R231 WeakPolarHBondContact O-CB 3.37Å; E227-R231 WeakPolarHBondContact O-CG 3.37Å; E227-R231 PolarHBondContact O-N 3.38Å; E227-R231 IonicContact OE1-NH2 3.62Å; E227-R231 IonicContact OE2-CZ 2.88Å; E227-R231 VanDerWaalsContact OE2-CZ 3.27Å; E227-R231 IonicContact OE2-NH1 2.79Å; E227-R231 PolarHBondContact OE2-NH1 3.32Å; E227-R231 IonicContact OE2-NH2 2.71Å; E227-R231 PolarHBondContact OE2-NH2 3.11Å; E227-K242 HydrophobicContact CG-CD 4.32Å; E227-K242 WeakPolarHBondContact OE1-CE 3.21Å; E227-K242 IonicContact OE1-NZ 3.18Å; E227-K242 PolarHBondContact OE1-NZ 2.88Å
228	F	83.6	Confident	81.2	Confident	97 Å²	97	58.6 Å²	58.6	43%	0.425	27%	0.271	S	S	.	.	H	α-helix	trans	-59.6	-46.9	175.1	-177.7	-75.1	0	0	0	110.7	R206 E224 D225 R231 S232	R206-F228 VanDerWaalsContact CZ-CD1 3.43Å; R206-F228 VanDerWaalsContact CZ-CE1 3.49Å; E224-F228 PolarHBondContact O-N 3.12Å; E224-F228 VanDerWaalsContact O-N 3.12Å; D225-F228 PolarHBondContact O-N 3.09Å; F228-R231 PolarHBondContact O-N 2.88Å; F228-S232 WeakPolarHBondContact O-CB 3.42Å; F228-S232 PolarHBondContact O-N 3.36Å; F228-S232 PolarHBondContact O-OG 2.93Å
229	C	75.4	Confident	80.8	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-58.2	-49.5	173.4	-71.5	0	0	0	0	112	T203 R206 L207 D225 E227 R231 S232 S233 A238	T203-C229 HydrophobicContact CG2-CB 4.37Å; R206-C229 VanDerWaalsContact CD-SG 3.53Å; R206-C229 VanDerWaalsContact CG-SG 3.57Å; L207-C229 HydrophobicContact CD2-CB 3.7Å; L207-C229 HydrophobicContact CG-CB 4.21Å; D225-C229 PolarHBondContact O-N 2.67Å; D225-C229 VanDerWaalsContact O-N 3.11Å; D225-C229 PolarHBondContact O-SG 2.92Å; E227-C229 VanDerWaalsContact C-N 3.34Å; E227-C229 PolarHBondContact O-N 3.38Å; C229-R231 VanDerWaalsContact C-N 3.27Å; C229-R231 PolarHBondContact O-N 2.96Å; C229-S232 PolarHBondContact O-N 2.91Å; C229-S232 PolarHBondContact O-OG 3.34Å; C229-S233 CarbonylContact O-C 3.52Å; C229-S233 PolarHBondContact O-N 3.26Å; C229-S233 VanDerWaalsContact O-O 3.07Å; C229-A238 HydrophobicContact CB-CB 3.96Å
230	S	71.3	Confident	80.6	Confident	13 Å²	13	53.1 Å²	53.1	9%	0.091	25%	0.248	C	C	.	.	H	α-helix	trans	-59.4	-33.4	179.4	-57.1	0	0	0	0	113.6	A226 E227	A226-S230 WeakPolarHBondContact O-CB 3.38Å; A226-S230 PolarHBondContact O-N 3.29Å; A226-S230 PolarHBondContact O-OG 2.91Å; E227-S230 PolarHBondContact O-N 3.49Å
231	R	71.7	Confident	80.3	Confident	170 Å²	170	47.4 Å²	47.4	64%	0.642	23%	0.226	S	C	*	.	H	α-helix	trans	-81.5	-28.1	178.5	-71.6	177.1	-177.6	131.5	12.3	113.6	E227 F228 C229	E227-R231 VanDerWaalsContact CD-NH2 3.34Å; E227-R231 WeakPolarHBondContact O-CB 3.37Å; E227-R231 WeakPolarHBondContact O-CG 3.37Å; E227-R231 PolarHBondContact O-N 3.38Å; E227-R231 IonicContact OE1-NH2 3.62Å; E227-R231 IonicContact OE2-CZ 2.88Å; E227-R231 VanDerWaalsContact OE2-CZ 3.27Å; E227-R231 IonicContact OE2-NH1 2.79Å; E227-R231 PolarHBondContact OE2-NH1 3.32Å; E227-R231 IonicContact OE2-NH2 2.71Å; E227-R231 PolarHBondContact OE2-NH2 3.11Å; F228-R231 PolarHBondContact O-N 2.88Å; C229-R231 VanDerWaalsContact C-N 3.27Å; C229-R231 PolarHBondContact O-N 2.96Å
232	S	60.1	Low	80.2	Confident	69 Å²	69	46.9 Å²	46.9	48%	0.483	22%	0.222	S	C	.	.	H	α-helix	trans	-96.8	-27.7	-176.1	53.8	0	0	0	0	113.6	F228 C229	F228-S232 WeakPolarHBondContact O-CB 3.42Å; F228-S232 PolarHBondContact O-N 3.36Å; F228-S232 PolarHBondContact O-OG 2.93Å; C229-S232 PolarHBondContact O-N 2.91Å; C229-S232 PolarHBondContact O-OG 3.34Å
233	S	60.2	Low	80.1	Confident	41 Å²	41	46.9 Å²	46.9	29%	0.287	22%	0.222	S	C	.	.			trans	-142.8	104.3	-178.5	-178.1	0	0	0	0	110.1	C229 S235	C229-S233 CarbonylContact O-C 3.52Å; C229-S233 PolarHBondContact O-N 3.26Å; C229-S233 VanDerWaalsContact O-O 3.07Å; S233-S235 PolarHBondContact O-N 3.49Å; S233-S235 PolarHBondContact O-OG 3.01Å; S233-S235 PolarHBondContact OG-OG 3.4Å
234	Y	67.6	Low	80.1	Confident	170 Å²	170	47.1 Å²	47.1	67%	0.667	22%	0.223	S	C	*	.			trans	-72.5	63.4	174.1	-74.6	-95.2	0	0	0	110.9
235	S	75.8	Confident	80.2	Confident	33 Å²	33	42.8 Å²	42.8	23%	0.231	20%	0.202	C	C	.	.			trans	-104.1	142.8	177.5	55.7	0	0	0	0	110.5	S233 E237 A238 L239	S233-S235 PolarHBondContact O-N 3.49Å; S233-S235 PolarHBondContact O-OG 3.01Å; S233-S235 PolarHBondContact OG-OG 3.4Å; S235-E237 VanDerWaalsContact C-N 3.29Å; S235-E237 PolarHBondContact O-N 3.41Å; S235-A238 PolarHBondContact O-N 2.96Å; S235-A238 VanDerWaalsContact O-N 3.09Å; S235-A238 WeakPolarHBondContact OG-CB 3.33Å; S235-L239 PolarHBondContact O-N 3.27Å
236	A	78.2	Confident	80.3	Confident	9 Å²	9	42.6 Å²	42.6	7%	0.074	20%	0.201	C	C	.	.	H	α-helix	trans	-54.3	-45.3	178.4	0	0	0	0	0	111.7	A238 L239 F240 C262 I265 D266 F269	A236-A238 PolarHBondContact O-N 2.99Å; A236-L239 PolarHBondContact O-N 3.13Å; A236-F240 WeakPolarHBondContact O-CB 3.38Å; A236-F240 PolarHBondContact O-N 2.81Å; A236-C262 PolarHBondContact O-SG 3.14Å; A236-I265 HydrophobicContact CB-CG2 4.49Å; A236-D266 HydrophobicContact CB-CB 3.7Å; A236-F269 HydrophobicContact CB-CD2 3.85Å; A236-F269 HydrophobicContact CB-CE2 4.2Å; A236-F269 HydrophobicContact CB-CG 4.4Å
237	E	79.9	Confident	80.6	Confident	68 Å²	68	44.5 Å²	44.5	32%	0.318	21%	0.21	S	C	.	.	H	α-helix	trans	-55.2	-43.7	175.2	177.8	66.1	-170.2	0	0	112.7	L207 S235 L239 F240 R241	L207-E237 HydrophobicContact CD1-CG 4.05Å; S235-E237 VanDerWaalsContact C-N 3.29Å; S235-E237 PolarHBondContact O-N 3.41Å; E237-L239 PolarHBondContact O-N 2.97Å; E237-F240 PolarHBondContact O-N 3.48Å; E237-R241 WeakPolarHBondContact O-CG 3.47Å; E237-R241 PolarHBondContact O-N 3.04Å; E237-R241 IonicContact OE1-CZ 3.11Å; E237-R241 IonicContact OE1-NE 3.45Å; E237-R241 PolarHBondContact OE1-NE 3.08Å; E237-R241 IonicContact OE1-NH2 3.65Å; E237-R241 PolarHBondContact OE1-NH2 3.03Å
238	A	82.6	Confident	80.7	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65.6	-40.4	-180	0	0	0	0	0	112.5	L207 C229 S235 A236 K242	L207-A238 HydrophobicContact CD1-CB 4.47Å; L207-A238 HydrophobicContact CD2-CB 4.11Å; C229-A238 HydrophobicContact CB-CB 3.96Å; S235-A238 PolarHBondContact O-N 2.96Å; S235-A238 VanDerWaalsContact O-N 3.09Å; S235-A238 WeakPolarHBondContact OG-CB 3.33Å; A236-A238 PolarHBondContact O-N 2.99Å; A238-K242 PolarHBondContact O-N 2.79Å
239	L	86.4	Confident	81	Confident	10 Å²	10	45.2 Å²	45.2	5%	0.052	22%	0.215	C	C	.	.	H	α-helix	trans	-66.9	-43.6	173.6	-65	179.6	0	0	0	111.4	S235 A236 E237 R241 K242 A243 V258 H261 C262 I265	S235-L239 PolarHBondContact O-N 3.27Å; A236-L239 PolarHBondContact O-N 3.13Å; E237-L239 PolarHBondContact O-N 2.97Å; L239-R241 VanDerWaalsContact C-N 3.33Å; L239-R241 PolarHBondContact O-N 2.92Å; L239-K242 PolarHBondContact O-N 3.36Å; L239-A243 WeakPolarHBondContact O-CB 3.38Å; L239-A243 PolarHBondContact O-N 3.42Å; L239-V258 HydrophobicContact CB-CG1 4.15Å; L239-V258 HydrophobicContact CD2-CG1 4.3Å; L239-V258 VanDerWaalsContact O-CG1 3.29Å; L239-V258 WeakPolarHBondContact O-CG1 3.39Å; L239-H261 HydrophobicContact CD1-CB 4.38Å; L239-C262 HydrophobicContact CB-CB 3.93Å; L239-I265 HydrophobicContact CD1-CD1 3.58Å; L239-I265 HydrophobicContact CD1-CG1 4.37Å
240	F	87.1	Confident	81.4	Confident	25 Å²	25	47.8 Å²	47.8	11%	0.11	24%	0.242	C	C	.	.	H	α-helix	trans	-57.3	-45.3	175.8	174.8	-109.8	0	0	0	111.6	A236 E237 A243 M244 F259 F269 G271 A272 K275	A236-F240 WeakPolarHBondContact O-CB 3.38Å; A236-F240 PolarHBondContact O-N 2.81Å; E237-F240 PolarHBondContact O-N 3.48Å; F240-A243 PolarHBondContact O-N 3.29Å; F240-M244 HydrophobicContact CD2-CG 4.48Å; F240-M244 HydrophobicContact CE1-CG 4.19Å; F240-M244 HydrophobicContact CE2-CG 4.03Å; F240-M244 HydrophobicContact CE2-SD 4.31Å; F240-M244 HydrophobicContact CZ-CG 3.87Å; F240-M244 HydrophobicContact CZ-SD 4.18Å; F240-M244 WeakPolarHBondContact O-CG 3.38Å; F240-M244 PolarHBondContact O-N 3.43Å; F240-F259 AromaticContact CD2-CD1 3.9Å; F240-F259 HydrophobicContact CD2-CD1 3.9Å; F240-F259 AromaticContact CD2-CE1 3.58Å; F240-F259 HydrophobicContact CD2-CE1 3.58Å; F240-F259 HydrophobicContact CE2-CD1 4.31Å; F240-F259 AromaticContact CE2-CE1 3.68Å; F240-F259 HydrophobicContact CE2-CE1 3.68Å; F240-F269 HydrophobicContact CB-CE1 3.76Å; F240-F269 HydrophobicContact CB-CZ 4.05Å; F240-F269 AromaticContact CD1-CE1 3.92Å; F240-F269 HydrophobicContact CD1-CE1 3.92Å; F240-F269 HydrophobicContact CD1-CZ 4.11Å; F240-F269 AromaticContact CD2-CE1 3.82Å; F240-F269 HydrophobicContact CD2-CE1 3.82Å; F240-F269 HydrophobicContact CE2-CE1 4.45Å; F240-F269 AromaticContact CG-CE1 3.55Å; F240-F269 HydrophobicContact CG-CE1 3.55Å; F240-F269 HydrophobicContact CG-CZ 4.05Å; F240-G271 WeakPolarHBondContact CE2-O 3.39Å; F240-A272 HydrophobicContact CD2-CB 3.97Å; F240-K275 HydrophobicContact CE2-CG 4.4Å
241	R	86.2	Confident	82.3	Confident	48 Å²	48	51.3 Å²	51.3	18%	0.181	26%	0.257	C	S	.	.	H	α-helix	trans	-63.7	-44.1	174.4	-63.5	-41.9	-173.8	134.4	20.1	112.2	L207 E211 E237 L239 A243 M244 V245	L207-R241 HydrophobicContact CD2-CB 4.02Å; L207-R241 HydrophobicContact CD2-CG 4.05Å; E211-R241 IonicContact OE1-CZ 3.81Å; E211-R241 IonicContact OE1-NH1 2.77Å; E211-R241 PolarHBondContact OE1-NH1 3.31Å; E211-R241 IonicContact OE1-NH2 3.41Å; E211-R241 IonicContact OE2-CZ 3.08Å; E211-R241 IonicContact OE2-NH1 2.7Å; E211-R241 PolarHBondContact OE2-NH1 3.48Å; E211-R241 IonicContact OE2-NH2 3.57Å; E211-R241 PolarHBondContact OE2-NH2 2.87Å; E237-R241 WeakPolarHBondContact O-CG 3.47Å; E237-R241 PolarHBondContact O-N 3.04Å; E237-R241 IonicContact OE1-CZ 3.11Å; E237-R241 IonicContact OE1-NE 3.45Å; E237-R241 PolarHBondContact OE1-NE 3.08Å; E237-R241 IonicContact OE1-NH2 3.65Å; E237-R241 PolarHBondContact OE1-NH2 3.03Å; L239-R241 VanDerWaalsContact C-N 3.33Å; L239-R241 PolarHBondContact O-N 2.92Å; R241-A243 VanDerWaalsContact C-N 3.34Å; R241-A243 PolarHBondContact O-N 2.86Å; R241-M244 PolarHBondContact O-N 2.98Å; R241-V245 WeakPolarHBondContact O-CG2 3.5Å; R241-V245 PolarHBondContact O-N 3.21Å
242	K	89.3	Confident	83	Confident	39 Å²	39	45.4 Å²	45.4	17%	0.17	24%	0.24	C	C	.	.	H	α-helix	trans	-58	-46	174.8	-175.3	-179.5	-176.3	-179.8	0	111.9	L223 A226 E227 A238 L239 M244 V245 L246 V258	L223-K242 HydrophobicContact CD1-CG 4.15Å; A226-K242 HydrophobicContact CB-CB 4.04Å; E227-K242 HydrophobicContact CG-CD 4.32Å; E227-K242 WeakPolarHBondContact OE1-CE 3.21Å; E227-K242 IonicContact OE1-NZ 3.18Å; E227-K242 PolarHBondContact OE1-NZ 2.88Å; A238-K242 PolarHBondContact O-N 2.79Å; L239-K242 PolarHBondContact O-N 3.36Å; K242-M244 VanDerWaalsContact C-N 3.34Å; K242-M244 PolarHBondContact O-N 2.87Å; K242-V245 PolarHBondContact O-N 3.28Å; K242-L246 HydrophobicContact CG-CD1 4.2Å; K242-L246 WeakPolarHBondContact O-CG 3.34Å; K242-L246 PolarHBondContact O-N 3.16Å; K242-L246 VanDerWaalsContact O-N 3.09Å; K242-V258 HydrophobicContact CB-CG1 4.26Å; K242-V258 HydrophobicContact CD-CG1 4.47Å; K242-V258 HydrophobicContact CG-CG1 4.46Å
243	A	89.9	Confident	84.1	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.9	-40.8	178.3	0	0	0	0	0	112.1	L239 F240 R241 V245 L246 H247 S255 V258 F259	L239-A243 WeakPolarHBondContact O-CB 3.38Å; L239-A243 PolarHBondContact O-N 3.42Å; F240-A243 PolarHBondContact O-N 3.29Å; R241-A243 VanDerWaalsContact C-N 3.34Å; R241-A243 PolarHBondContact O-N 2.86Å; A243-V245 PolarHBondContact O-N 3.38Å; A243-L246 PolarHBondContact O-N 2.94Å; A243-H247 WeakPolarHBondContact O-CB 3.42Å; A243-H247 PolarHBondContact O-N 3.01Å; A243-S255 WeakPolarHBondContact O-CB 3.46Å; A243-V258 HydrophobicContact CB-CB 3.88Å; A243-V258 HydrophobicContact CB-CG1 3.85Å; A243-F259 HydrophobicContact CB-CB 4.42Å; A243-F259 HydrophobicContact CB-CD1 3.39Å; A243-F259 HydrophobicContact CB-CD2 3.77Å; A243-F259 HydrophobicContact CB-CE1 3.38Å; A243-F259 HydrophobicContact CB-CE2 3.75Å; A243-F259 HydrophobicContact CB-CG 3.57Å; A243-F259 HydrophobicContact CB-CZ 3.56Å
244	M	88.6	Confident	85.4	Confident	43 Å²	43	48.5 Å²	48.5	21%	0.212	25%	0.245	C	C	.	.	H	α-helix	trans	-60.3	-42.4	172.8	-74.3	-67.8	-63.5	0	0	112.6	F240 R241 K242 L246 H247 E248 F259 K275	F240-M244 HydrophobicContact CD2-CG 4.48Å; F240-M244 HydrophobicContact CE1-CG 4.19Å; F240-M244 HydrophobicContact CE2-CG 4.03Å; F240-M244 HydrophobicContact CE2-SD 4.31Å; F240-M244 HydrophobicContact CZ-CG 3.87Å; F240-M244 HydrophobicContact CZ-SD 4.18Å; F240-M244 WeakPolarHBondContact O-CG 3.38Å; F240-M244 PolarHBondContact O-N 3.43Å; R241-M244 PolarHBondContact O-N 2.98Å; K242-M244 VanDerWaalsContact C-N 3.34Å; K242-M244 PolarHBondContact O-N 2.87Å; M244-L246 PolarHBondContact O-N 3.38Å; M244-H247 PolarHBondContact O-N 2.98Å; M244-E248 WeakPolarHBondContact O-CG 3.24Å; M244-E248 PolarHBondContact O-N 3Å; M244-F259 HydrophobicContact CG-CE1 4.12Å; M244-F259 HydrophobicContact CG-CZ 4.07Å; M244-F259 HydrophobicContact SD-CE1 4.25Å; M244-F259 HydrophobicContact SD-CZ 3.86Å; M244-K275 HydrophobicContact SD-CD 3.83Å; M244-K275 WeakPolarHBondContact SD-CE 3.29Å; M244-K275 HydrophobicContact SD-CG 4.01Å
245	V	91.4	Very high	86.5	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-59.5	-48.7	174.7	-176.8	0	0	0	0	110.9	A222 L223 A226 R241 K242 A243 H247 E248 M249	A222-V245 HydrophobicContact CB-CG1 3.9Å; A222-V245 HydrophobicContact CB-CG2 3.84Å; L223-V245 HydrophobicContact CB-CG1 4.02Å; L223-V245 HydrophobicContact CD1-CG1 4.48Å; A226-V245 HydrophobicContact CB-CG2 4.36Å; R241-V245 WeakPolarHBondContact O-CG2 3.5Å; R241-V245 PolarHBondContact O-N 3.21Å; K242-V245 PolarHBondContact O-N 3.28Å; A243-V245 PolarHBondContact O-N 3.38Å; V245-H247 VanDerWaalsContact C-N 3.32Å; V245-H247 PolarHBondContact O-N 3.37Å; V245-E248 PolarHBondContact O-N 3.14Å; V245-M249 HydrophobicContact CG1-CG 4.48Å; V245-M249 HydrophobicContact CG1-SD 3.96Å; V245-M249 VanDerWaalsContact O-CG 3.28Å; V245-M249 WeakPolarHBondContact O-CG 3.24Å; V245-M249 PolarHBondContact O-N 3.16Å
246	L	90.4	Very high	87.2	Confident	10 Å²	10	39.7 Å²	39.7	5%	0.052	21%	0.207	C	C	.	.	H	α-helix	trans	-62.8	-38.4	-179	-66.7	170.1	0	0	0	112.2	L223 K242 A243 M244 M249 G250 Q251 E254 V258	L223-L246 HydrophobicContact CD1-CD2 4.09Å; L223-L246 HydrophobicContact CD1-CG 4.43Å; K242-L246 HydrophobicContact CG-CD1 4.2Å; K242-L246 WeakPolarHBondContact O-CG 3.34Å; K242-L246 PolarHBondContact O-N 3.16Å; K242-L246 VanDerWaalsContact O-N 3.09Å; A243-L246 PolarHBondContact O-N 2.94Å; M244-L246 PolarHBondContact O-N 3.38Å; L246-M249 WeakPolarHBondContact O-CB 3.45Å; L246-M249 PolarHBondContact O-N 3.09Å; L246-G250 PolarHBondContact O-N 3.32Å; L246-Q251 HydrophobicContact CB-CB 4.42Å; L246-Q251 WeakPolarHBondContact O-CB 3.35Å; L246-Q251 PolarHBondContact O-N 2.72Å; L246-E254 HydrophobicContact CD1-CB 4.19Å; L246-V258 HydrophobicContact CD1-CG2 4.07Å
247	H	90.2	Very high	87.6	Confident	39 Å²	39	42.8 Å²	42.8	18%	0.181	22%	0.219	C	C	.	.	H	α-helix	trans	-64.6	-47.5	176.7	-176.8	82.7	0	0	0	111.9	A243 M244 V245 M249 G250 F259 K275	A243-H247 WeakPolarHBondContact O-CB 3.42Å; A243-H247 PolarHBondContact O-N 3.01Å; M244-H247 PolarHBondContact O-N 2.98Å; V245-H247 VanDerWaalsContact C-N 3.32Å; V245-H247 PolarHBondContact O-N 3.37Å; H247-M249 PolarHBondContact O-N 2.86Å; H247-G250 PolarHBondContact O-N 3.49Å; H247-F259 HydrophobicContact CB-CE2 4.36Å; H247-K275 PolarHBondContact CD2-NZ 2.88Å; H247-K275 PolarHBondContact NE2-NZ 3.3Å
248	E	88.7	Confident	88.1	Confident	92 Å²	92	40.4 Å²	40.4	43%	0.43	21%	0.209	S	C	.	.	H	α-helix	trans	-70.1	-16.5	177.1	-60.3	-68.4	142.8	0	0	112.9	T214 Y219 M244 V245 G250	T214-E248 HydrophobicContact CG2-CB 4Å; T214-E248 HydrophobicContact CG2-CG 3.89Å; Y219-E248 HydrophobicContact CE1-CB 3.78Å; Y219-E248 PolarHBondContact OH-O 3.23Å; M244-E248 WeakPolarHBondContact O-CG 3.24Å; M244-E248 PolarHBondContact O-N 3Å; V245-E248 PolarHBondContact O-N 3.14Å; E248-G250 VanDerWaalsContact C-N 3.32Å
249	M	89.5	Confident	88.4	Confident	69 Å²	69	40.4 Å²	40.4	34%	0.34	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-3.9	167	-72.3	176	66.6	0	0	113.8	Y219 L223 V245 L246 H247 Q251	Y219-M249 HydrophobicContact CD1-CG 3.77Å; Y219-M249 HydrophobicContact CD2-CG 4.38Å; Y219-M249 HydrophobicContact CG-CG 3.65Å; L223-M249 HydrophobicContact CD2-SD 4.42Å; V245-M249 HydrophobicContact CG1-CG 4.48Å; V245-M249 HydrophobicContact CG1-SD 3.96Å; V245-M249 VanDerWaalsContact O-CG 3.28Å; V245-M249 WeakPolarHBondContact O-CG 3.24Å; V245-M249 PolarHBondContact O-N 3.16Å; L246-M249 WeakPolarHBondContact O-CB 3.45Å; L246-M249 PolarHBondContact O-N 3.09Å; H247-M249 PolarHBondContact O-N 2.86Å; M249-Q251 VanDerWaalsContact C-N 3.33Å; M249-Q251 HydrophobicContact CB-CG 4.43Å
250	G	84.8	Confident	88.6	Confident	55 Å²	55	40.5 Å²	40.5	57%	0.567	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.1	8.8	-175.3	0	0	0	0	0	115.1	L246 H247 E248 V252	L246-G250 PolarHBondContact O-N 3.32Å; H247-G250 PolarHBondContact O-N 3.49Å; E248-G250 VanDerWaalsContact C-N 3.32Å; G250-V252 VanDerWaalsContact C-N 3.27Å; G250-V252 PolarHBondContact O-N 3.45Å
251	Q	89	Confident	88.6	Confident	86 Å²	86	42.7 Å²	42.7	40%	0.402	22%	0.22	S	C	.	.			trans	-85.8	68	177.4	-61.4	-172.5	6	0	0	110.4	L246 M249 D253 E254 S255	L246-Q251 HydrophobicContact CB-CB 4.42Å; L246-Q251 WeakPolarHBondContact O-CB 3.35Å; L246-Q251 PolarHBondContact O-N 2.72Å; M249-Q251 VanDerWaalsContact C-N 3.33Å; M249-Q251 HydrophobicContact CB-CG 4.43Å; Q251-D253 PolarHBondContact O-N 2.82Å; Q251-E254 PolarHBondContact O-N 3.02Å; Q251-S255 WeakPolarHBondContact O-CB 3.38Å; Q251-S255 PolarHBondContact O-N 3.28Å
252	V	86.9	Confident	88.5	Confident	47 Å²	47	40.4 Å²	40.4	29%	0.285	21%	0.211	S	C	.	.	H	α-helix	trans	-57.3	-49	-170.5	-176.7	0	0	0	0	111.8	G250 E254 S255 L256 I279 L283	G250-V252 VanDerWaalsContact C-N 3.27Å; G250-V252 PolarHBondContact O-N 3.45Å; V252-E254 PolarHBondContact O-N 2.93Å; V252-S255 PolarHBondContact O-N 2.85Å; V252-S255 PolarHBondContact O-OG 3.35Å; V252-L256 WeakPolarHBondContact O-CB 3.18Å; V252-L256 PolarHBondContact O-N 2.87Å; V252-I279 HydrophobicContact CG1-CG2 3.83Å; V252-L283 HydrophobicContact CG1-CD1 4.49Å; V252-L283 HydrophobicContact CG1-CD2 4.43Å
253	D	82.7	Confident	88.3	Confident	89 Å²	89	38.6 Å²	38.6	48%	0.476	20%	0.203	S	C	.	.	H	α-helix	trans	-62.4	-43.6	-176.5	-51	-75.7	0	0	0	113.2	Q251 L256 K257	Q251-D253 PolarHBondContact O-N 2.82Å; D253-L256 PolarHBondContact O-N 2.91Å; D253-K257 VanDerWaalsContact O-CG 3.27Å; D253-K257 WeakPolarHBondContact O-CG 3.24Å; D253-K257 PolarHBondContact O-N 3.08Å
254	E	87.3	Confident	88.1	Confident	86 Å²	86	40.7 Å²	40.7	40%	0.402	22%	0.216	S	C	.	.	H	α-helix	trans	-71.1	-35.5	176.4	-65.6	-54.6	132.3	0	0	111.6	L246 Q251 V252 L256 K257 V258	L246-E254 HydrophobicContact CD1-CB 4.19Å; Q251-E254 PolarHBondContact O-N 3.02Å; V252-E254 PolarHBondContact O-N 2.93Å; E254-L256 VanDerWaalsContact C-N 3.35Å; E254-L256 PolarHBondContact O-N 3.23Å; E254-K257 PolarHBondContact O-N 3.37Å; E254-K257 IonicContact OE1-NZ 3.18Å; E254-K257 PolarHBondContact OE1-NZ 3.18Å; E254-V258 WeakPolarHBondContact O-CG2 3.26Å; E254-V258 PolarHBondContact O-N 3.32Å; E254-V258 VanDerWaalsContact O-N 3.11Å
255	S	91.4	Very high	87.7	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.5	-44.2	172.6	79.5	0	0	0	0	111.5	A243 Q251 V252 V258 F259	A243-S255 WeakPolarHBondContact O-CB 3.46Å; Q251-S255 WeakPolarHBondContact O-CB 3.38Å; Q251-S255 PolarHBondContact O-N 3.28Å; V252-S255 PolarHBondContact O-N 2.85Å; V252-S255 PolarHBondContact O-OG 3.35Å; S255-V258 PolarHBondContact O-N 3.37Å; S255-F259 WeakPolarHBondContact O-CD2 3.3Å; S255-F259 WeakPolarHBondContact O-CG 3.49Å; S255-F259 PolarHBondContact O-N 2.99Å
256	L	90.1	Very high	86.8	Confident	17 Å²	17	44.8 Å²	44.8	9%	0.089	24%	0.238	C	C	.	.	H	α-helix	trans	-63.3	-45.3	179.2	-178.1	58.9	0	0	0	111.4	V252 D253 E254 V258 F259 L260 V276 I279 L283 L295	V252-L256 WeakPolarHBondContact O-CB 3.18Å; V252-L256 PolarHBondContact O-N 2.87Å; D253-L256 PolarHBondContact O-N 2.91Å; E254-L256 VanDerWaalsContact C-N 3.35Å; E254-L256 PolarHBondContact O-N 3.23Å; L256-V258 VanDerWaalsContact C-N 3.3Å; L256-V258 PolarHBondContact O-N 2.65Å; L256-F259 PolarHBondContact O-N 3.31Å; L256-L260 HydrophobicContact CD1-CD1 4.41Å; L256-L260 HydrophobicContact CD1-CG 4.37Å; L256-L260 HydrophobicContact CG-CD1 4.3Å; L256-L260 WeakPolarHBondContact O-CB 3.47Å; L256-L260 WeakPolarHBondContact O-CG 3.17Å; L256-L260 PolarHBondContact O-N 2.94Å; L256-V276 HydrophobicContact CD1-CB 4.47Å; L256-V276 HydrophobicContact CD1-CG1 3.9Å; L256-V276 HydrophobicContact CD1-CG2 4.26Å; L256-I279 HydrophobicContact CB-CG2 4.4Å; L256-I279 HydrophobicContact CD1-CG2 4.09Å; L256-I279 HydrophobicContact CD2-CG2 4.21Å; L256-I279 HydrophobicContact CG-CG2 4.47Å; L256-L283 HydrophobicContact CD2-CD1 4.31Å; L256-L295 HydrophobicContact CD2-CD2 4.48Å
257	K	88	Confident	86.3	Confident	74 Å²	74	49.4 Å²	49.4	32%	0.322	26%	0.26	S	S	.	.	H	α-helix	trans	-56.5	-42.1	174	-70.4	165.2	-166.6	173.7	0	112.2	D253 E254 H261	D253-K257 VanDerWaalsContact O-CG 3.27Å; D253-K257 WeakPolarHBondContact O-CG 3.24Å; D253-K257 PolarHBondContact O-N 3.08Å; E254-K257 PolarHBondContact O-N 3.37Å; E254-K257 IonicContact OE1-NZ 3.18Å; E254-K257 PolarHBondContact OE1-NZ 3.18Å; K257-H261 PolarHBondContact O-N 3.21Å
258	V	89.3	Confident	85.5	Confident	19 Å²	19	54.3 Å²	54.3	12%	0.115	29%	0.287	C	S	.	.	H	α-helix	trans	-77.2	-34.1	-179.2	-177.6	0	0	0	0	112.1	L239 K242 A243 L246 E254 S255 L256 H261 C262	L239-V258 HydrophobicContact CB-CG1 4.15Å; L239-V258 HydrophobicContact CD2-CG1 4.3Å; L239-V258 VanDerWaalsContact O-CG1 3.29Å; L239-V258 WeakPolarHBondContact O-CG1 3.39Å; K242-V258 HydrophobicContact CB-CG1 4.26Å; K242-V258 HydrophobicContact CD-CG1 4.47Å; K242-V258 HydrophobicContact CG-CG1 4.46Å; A243-V258 HydrophobicContact CB-CB 3.88Å; A243-V258 HydrophobicContact CB-CG1 3.85Å; L246-V258 HydrophobicContact CD1-CG2 4.07Å; E254-V258 WeakPolarHBondContact O-CG2 3.26Å; E254-V258 PolarHBondContact O-N 3.32Å; E254-V258 VanDerWaalsContact O-N 3.11Å; S255-V258 PolarHBondContact O-N 3.37Å; L256-V258 VanDerWaalsContact C-N 3.3Å; L256-V258 PolarHBondContact O-N 2.65Å; V258-H261 PolarHBondContact O-N 3.11Å; V258-C262 PolarHBondContact O-N 3.05Å
259	F	90	Very high	85	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.2	-42.5	170.2	-72.5	-59.2	0	0	0	111.9	F240 A243 M244 H247 S255 L256 H261 C262 L263 A272 K275 V276 I279	F240-F259 AromaticContact CD2-CD1 3.9Å; F240-F259 HydrophobicContact CD2-CD1 3.9Å; F240-F259 AromaticContact CD2-CE1 3.58Å; F240-F259 HydrophobicContact CD2-CE1 3.58Å; F240-F259 HydrophobicContact CE2-CD1 4.31Å; F240-F259 AromaticContact CE2-CE1 3.68Å; F240-F259 HydrophobicContact CE2-CE1 3.68Å; A243-F259 HydrophobicContact CB-CB 4.42Å; A243-F259 HydrophobicContact CB-CD1 3.39Å; A243-F259 HydrophobicContact CB-CD2 3.77Å; A243-F259 HydrophobicContact CB-CE1 3.38Å; A243-F259 HydrophobicContact CB-CE2 3.75Å; A243-F259 HydrophobicContact CB-CG 3.57Å; A243-F259 HydrophobicContact CB-CZ 3.56Å; M244-F259 HydrophobicContact CG-CE1 4.12Å; M244-F259 HydrophobicContact CG-CZ 4.07Å; M244-F259 HydrophobicContact SD-CE1 4.25Å; M244-F259 HydrophobicContact SD-CZ 3.86Å; H247-F259 HydrophobicContact CB-CE2 4.36Å; S255-F259 WeakPolarHBondContact O-CD2 3.3Å; S255-F259 WeakPolarHBondContact O-CG 3.49Å; S255-F259 PolarHBondContact O-N 2.99Å; L256-F259 PolarHBondContact O-N 3.31Å; F259-H261 VanDerWaalsContact C-N 3.32Å; F259-H261 PolarHBondContact O-N 3.35Å; F259-C262 VanDerWaalsContact O-CB 3.3Å; F259-C262 WeakPolarHBondContact O-CB 3.44Å; F259-C262 PolarHBondContact O-N 2.95Å; F259-L263 PolarHBondContact O-N 3.37Å; F259-L263 VanDerWaalsContact O-N 3.12Å; F259-A272 HydrophobicContact CD1-CB 4.22Å; F259-K275 HydrophobicContact CD1-CB 4.17Å; F259-K275 HydrophobicContact CD2-CB 4.42Å; F259-K275 HydrophobicContact CE1-CB 3.84Å; F259-K275 HydrophobicContact CE1-CG 4.2Å; F259-K275 HydrophobicContact CE2-CB 4.12Å; F259-K275 HydrophobicContact CG-CB 4.47Å; F259-K275 HydrophobicContact CZ-CB 3.83Å; F259-K275 HydrophobicContact CZ-CD 4.12Å; F259-K275 HydrophobicContact CZ-CG 4.04Å; F259-V276 HydrophobicContact CB-CG2 3.5Å; F259-V276 HydrophobicContact CG-CG2 4.36Å; F259-I279 HydrophobicContact CD2-CD1 3.71Å; F259-I279 HydrophobicContact CE2-CD1 3.64Å
260	L	88.8	Confident	84.3	Confident	12 Å²	12	51.1 Å²	51.1	6%	0.063	28%	0.277	C	S	.	.	H	α-helix	trans	-62.9	-39.4	173.7	-68.7	173.1	0	0	0	111.2	I73 L74 F77 L256 L263 T264 V276	I73-L260 HydrophobicContact CG2-CD1 3.8Å; I73-L260 HydrophobicContact CG2-CD2 3.75Å; I73-L260 HydrophobicContact CG2-CG 4.46Å; L74-L260 HydrophobicContact CD2-CB 4.36Å; L74-L260 HydrophobicContact CD2-CD2 3.64Å; L74-L260 HydrophobicContact CG-CD2 4.19Å; F77-L260 HydrophobicContact CD1-CB 4.32Å; F77-L260 HydrophobicContact CD2-CB 4.2Å; F77-L260 HydrophobicContact CD2-CD1 3.99Å; F77-L260 HydrophobicContact CE1-CB 4.17Å; F77-L260 HydrophobicContact CE2-CB 4.04Å; F77-L260 HydrophobicContact CE2-CD1 4.19Å; F77-L260 HydrophobicContact CG-CB 4.34Å; F77-L260 HydrophobicContact CZ-CB 4.02Å; L256-L260 HydrophobicContact CD1-CD1 4.41Å; L256-L260 HydrophobicContact CD1-CG 4.37Å; L256-L260 HydrophobicContact CG-CD1 4.3Å; L256-L260 WeakPolarHBondContact O-CB 3.47Å; L256-L260 WeakPolarHBondContact O-CG 3.17Å; L256-L260 PolarHBondContact O-N 2.94Å; L260-L263 CarbonylContact O-C 3.25Å; L260-L263 PolarHBondContact O-N 3.37Å; L260-T264 PolarHBondContact O-N 2.96Å; L260-V276 HydrophobicContact CD2-CG1 4.04Å; L260-V276 HydrophobicContact CD2-CG2 4.31Å
261	H	87.2	Confident	84.1	Confident	71 Å²	71	49.8 Å²	49.8	33%	0.329	26%	0.263	S	S	.	.	H	α-helix	trans	-65.8	-37.8	174.7	-171.9	29.7	0	0	0	112.9	F77 L239 K257 V258 F259 L263 T264 I265	F77-H261 HydrophobicContact CE1-CB 4.47Å; L239-H261 HydrophobicContact CD1-CB 4.38Å; K257-H261 PolarHBondContact O-N 3.21Å; V258-H261 PolarHBondContact O-N 3.11Å; F259-H261 VanDerWaalsContact C-N 3.32Å; F259-H261 PolarHBondContact O-N 3.35Å; H261-L263 VanDerWaalsContact C-N 3.3Å; H261-L263 PolarHBondContact O-N 2.91Å; H261-T264 WeakPolarHBondContact CA-OG1 3.35Å; H261-T264 PolarHBondContact ND1-OG1 2.7Å; H261-T264 PolarHBondContact O-N 2.86Å; H261-T264 PolarHBondContact O-OG1 3.43Å; H261-I265 PolarHBondContact O-N 3.46Å
262	C	85.4	Confident	83.9	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-53.5	-48.4	170.2	177.7	0	0	0	0	111.2	A236 L239 V258 F259 T264 I265 D266 A272	A236-C262 PolarHBondContact O-SG 3.14Å; L239-C262 HydrophobicContact CB-CB 3.93Å; V258-C262 PolarHBondContact O-N 3.05Å; F259-C262 VanDerWaalsContact O-CB 3.3Å; F259-C262 WeakPolarHBondContact O-CB 3.44Å; F259-C262 PolarHBondContact O-N 2.95Å; C262-T264 PolarHBondContact O-N 2.72Å; C262-I265 PolarHBondContact O-N 2.97Å; C262-D266 PolarHBondContact O-N 3.31Å; C262-D266 VanDerWaalsContact O-N 3.09Å; C262-A272 HydrophobicContact CB-CB 4.27Å
263	L	84.4	Confident	83.8	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-71.8	-7.9	177.3	-65.8	164.9	0	0	0	114.3	V70 L74 F259 L260 H261 E267 F269 A272 K273 V276	V70-L263 HydrophobicContact CG1-CD1 4.36Å; L74-L263 HydrophobicContact CD1-CB 3.88Å; L74-L263 HydrophobicContact CD1-CD1 4.18Å; L74-L263 HydrophobicContact CD2-CB 3.52Å; L74-L263 HydrophobicContact CD2-CD1 4.3Å; L74-L263 HydrophobicContact CG-CB 4.37Å; F259-L263 PolarHBondContact O-N 3.37Å; F259-L263 VanDerWaalsContact O-N 3.12Å; L260-L263 CarbonylContact O-C 3.25Å; L260-L263 PolarHBondContact O-N 3.37Å; H261-L263 VanDerWaalsContact C-N 3.3Å; H261-L263 PolarHBondContact O-N 2.91Å; L263-E267 WeakPolarHBondContact O-CA 3.12Å; L263-F269 HydrophobicContact CD2-CB 4.22Å; L263-A272 HydrophobicContact CD1-CB 4.21Å; L263-A272 HydrophobicContact CD2-CB 4Å; L263-A272 HydrophobicContact CG-CB 3.86Å; L263-K273 HydrophobicContact CD1-CB 4.4Å; L263-K273 HydrophobicContact CD2-CB 4.09Å; L263-V276 HydrophobicContact CD1-CG2 3.86Å
264	T	85.3	Confident	83.9	Confident	45 Å²	45	48.4 Å²	48.4	28%	0.276	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-9	165.1	62	0	0	0	0	114	F77 K78 L260 H261 C262	F77-T264 HydrophobicContact CD1-CG2 3.69Å; F77-T264 HydrophobicContact CE1-CG2 3.97Å; K78-T264 HydrophobicContact CG-CG2 4.04Å; L260-T264 PolarHBondContact O-N 2.96Å; H261-T264 WeakPolarHBondContact CA-OG1 3.35Å; H261-T264 PolarHBondContact ND1-OG1 2.7Å; H261-T264 PolarHBondContact O-N 2.86Å; H261-T264 PolarHBondContact O-OG1 3.43Å; C262-T264 PolarHBondContact O-N 2.72Å
265	I	79.9	Confident	84	Confident	75 Å²	75	46.5 Å²	46.5	39%	0.385	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-38.4	174.2	-59.9	-172.3	0	0	0	110.6	A236 L239 H261 C262	A236-I265 HydrophobicContact CB-CG2 4.49Å; L239-I265 HydrophobicContact CD1-CD1 3.58Å; L239-I265 HydrophobicContact CD1-CG1 4.37Å; H261-I265 PolarHBondContact O-N 3.46Å; C262-I265 PolarHBondContact O-N 2.97Å
266	D	73.5	Confident	83.9	Confident	55 Å²	55	46.5 Å²	46.5	29%	0.294	23%	0.233	S	C	.	.			trans	-141.5	97.5	-180	-169.4	3.6	0	0	0	109	A236 C262 D268 F269	A236-D266 HydrophobicContact CB-CB 3.7Å; C262-D266 PolarHBondContact O-N 3.31Å; C262-D266 VanDerWaalsContact O-N 3.09Å; D266-D268 VanDerWaalsContact C-N 3.28Å; D266-D268 PolarHBondContact O-N 2.86Å; D266-F269 HydrophobicContact CB-CB 4.06Å; D266-F269 VanDerWaalsContact O-CB 3.27Å; D266-F269 WeakPolarHBondContact O-CB 3.39Å; D266-F269 PolarHBondContact O-N 2.9Å
267	E	79.3	Confident	83.8	Confident	107 Å²	107	46.2 Å²	46.2	50%	0.5	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-30.1	-167.7	-47.4	-159	-170.2	0	0	112.6	K78 L263 F269	K78-E267 IonicContact NZ-OE1 2.66Å; K78-E267 PolarHBondContact NZ-OE1 3.3Å; K78-E267 IonicContact NZ-OE2 3.77Å; K78-E267 PolarHBondContact NZ-OE2 3.48Å; L263-E267 WeakPolarHBondContact O-CA 3.12Å; E267-F269 VanDerWaalsContact C-N 3.34Å
268	D	73.4	Confident	83.8	Confident	141 Å²	141	47.5 Å²	47.5	75%	0.754	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	1.5	179.8	-68	-50.9	0	0	0	113.2	D266 P270	D266-D268 VanDerWaalsContact C-N 3.28Å; D266-D268 PolarHBondContact O-N 2.86Å; D268-P270 WeakPolarHBondContact O-CD 3.32Å; D268-P270 WeakPolarHBondContact O-CG 3.32Å
269	F	79.2	Confident	83.8	Confident	29 Å²	29	46.8 Å²	46.8	13%	0.127	23%	0.233	C	C	.	.			trans	-60.7	103.4	-170	-170.3	-85.9	0	0	0	112.5	A236 F240 L263 D266 E267 G271 A272 K273	A236-F269 HydrophobicContact CB-CD2 3.85Å; A236-F269 HydrophobicContact CB-CE2 4.2Å; A236-F269 HydrophobicContact CB-CG 4.4Å; F240-F269 HydrophobicContact CB-CE1 3.76Å; F240-F269 HydrophobicContact CB-CZ 4.05Å; F240-F269 AromaticContact CD1-CE1 3.92Å; F240-F269 HydrophobicContact CD1-CE1 3.92Å; F240-F269 HydrophobicContact CD1-CZ 4.11Å; F240-F269 AromaticContact CD2-CE1 3.82Å; F240-F269 HydrophobicContact CD2-CE1 3.82Å; F240-F269 HydrophobicContact CE2-CE1 4.45Å; F240-F269 AromaticContact CG-CE1 3.55Å; F240-F269 HydrophobicContact CG-CE1 3.55Å; F240-F269 HydrophobicContact CG-CZ 4.05Å; L263-F269 HydrophobicContact CD2-CB 4.22Å; D266-F269 HydrophobicContact CB-CB 4.06Å; D266-F269 VanDerWaalsContact O-CB 3.27Å; D266-F269 WeakPolarHBondContact O-CB 3.39Å; D266-F269 PolarHBondContact O-N 2.9Å; E267-F269 VanDerWaalsContact C-N 3.34Å; F269-G271 PolarHBondContact O-N 3.17Å; F269-A272 HydrophobicContact CD1-CB 3.59Å; F269-A272 HydrophobicContact CE1-CB 4.25Å; F269-A272 PolarHBondContact O-N 3.04Å; F269-K273 PolarHBondContact O-N 3.39Å
270	P	74.7	Confident	83.6	Confident	65 Å²	65	47 Å²	47	42%	0.422	23%	0.234	S	C	.	.	H	α-helix	trans	-70.9	-29.9	-158.1	-22.8	34.3	0	0	0	114.2	D268 R274	D268-P270 WeakPolarHBondContact O-CD 3.32Å; D268-P270 WeakPolarHBondContact O-CG 3.32Å; P270-R274 WeakPolarHBondContact O-CB 3.38Å; P270-R274 WeakPolarHBondContact O-CG 3.15Å; P270-R274 PolarHBondContact O-N 2.71Å
271	G	80.4	Confident	83.5	Confident	27 Å²	27	47 Å²	47	28%	0.278	24%	0.235	S	C	.	.	H	α-helix	trans	-69.2	-37.2	179.5	0	0	0	0	0	112.8	F240 F269 K275	F240-G271 WeakPolarHBondContact CE2-O 3.39Å; F269-G271 PolarHBondContact O-N 3.17Å; G271-K275 WeakPolarHBondContact O-CB 3.37Å; G271-K275 PolarHBondContact O-N 3.04Å
272	A	85	Confident	83.2	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-75.4	-45.9	178.5	0	0	0	0	0	110.7	F240 F259 C262 L263 F269 R274 K275 V276	F240-A272 HydrophobicContact CD2-CB 3.97Å; F259-A272 HydrophobicContact CD1-CB 4.22Å; C262-A272 HydrophobicContact CB-CB 4.27Å; L263-A272 HydrophobicContact CD1-CB 4.21Å; L263-A272 HydrophobicContact CD2-CB 4Å; L263-A272 HydrophobicContact CG-CB 3.86Å; F269-A272 HydrophobicContact CD1-CB 3.59Å; F269-A272 HydrophobicContact CE1-CB 4.25Å; F269-A272 PolarHBondContact O-N 3.04Å; A272-R274 PolarHBondContact O-N 2.83Å; A272-K275 PolarHBondContact O-N 3.36Å; A272-V276 WeakPolarHBondContact O-CG2 3.39Å; A272-V276 PolarHBondContact O-N 2.88Å
273	K	84.7	Confident	83.1	Confident	31 Å²	31	48 Å²	48	14%	0.135	24%	0.243	C	C	.	.	H	α-helix	trans	-57	-49.6	179	-176.1	154.9	-179.3	169.7	0	111.5	S67 V70 D71 L263 F269 K275 V276 E277	S67-K273 PolarHBondContact O-NZ 3.04Å; S67-K273 WeakPolarHBondContact OG-CE 3.29Å; S67-K273 PolarHBondContact OG-NZ 3.4Å; V70-K273 HydrophobicContact CG1-CG 4.38Å; D71-K273 IonicContact OD1-NZ 2.98Å; D71-K273 PolarHBondContact OD1-NZ 3.32Å; D71-K273 IonicContact OD2-NZ 3.34Å; D71-K273 PolarHBondContact OD2-NZ 2.72Å; L263-K273 HydrophobicContact CD1-CB 4.4Å; L263-K273 HydrophobicContact CD2-CB 4.09Å; F269-K273 PolarHBondContact O-N 3.39Å; K273-K275 VanDerWaalsContact C-N 3.29Å; K273-K275 PolarHBondContact O-N 3.16Å; K273-V276 PolarHBondContact O-N 3.17Å; K273-V276 VanDerWaalsContact O-N 3.13Å; K273-E277 WeakPolarHBondContact CE-OE1 3.39Å; K273-E277 HydrophobicContact CG-CG 4.32Å; K273-E277 WeakPolarHBondContact CG-OE1 3.49Å; K273-E277 WeakPolarHBondContact O-CB 3.31Å; K273-E277 VanDerWaalsContact O-CG 3.28Å; K273-E277 WeakPolarHBondContact O-CG 3.29Å; K273-E277 PolarHBondContact O-N 2.69Å
274	R	84.9	Confident	82.9	Confident	163 Å²	163	49.1 Å²	49.1	62%	0.615	25%	0.248	S	C	*	.	H	α-helix	trans	-59.3	-32.7	174.1	-69.4	175.7	-172.9	165.1	3.5	114.6	P270 A272 E277 K278	P270-R274 WeakPolarHBondContact O-CB 3.38Å; P270-R274 WeakPolarHBondContact O-CG 3.15Å; P270-R274 PolarHBondContact O-N 2.71Å; A272-R274 PolarHBondContact O-N 2.83Å; R274-E277 WeakPolarHBondContact CA-OE2 3.36Å; R274-K278 WeakPolarHBondContact O-CB 3.31Å; R274-K278 PolarHBondContact O-N 2.83Å
275	K	88.7	Confident	82.3	Confident	45 Å²	45	50.2 Å²	50.2	20%	0.196	26%	0.258	C	S	.	.	H	α-helix	trans	-75.3	-36.8	176	-88.8	-81.3	174.9	161.7	0	112.2	F240 M244 H247 F259 G271 A272 K273 I279	F240-K275 HydrophobicContact CE2-CG 4.4Å; M244-K275 HydrophobicContact SD-CD 3.83Å; M244-K275 WeakPolarHBondContact SD-CE 3.29Å; M244-K275 HydrophobicContact SD-CG 4.01Å; H247-K275 PolarHBondContact CD2-NZ 2.88Å; H247-K275 PolarHBondContact NE2-NZ 3.3Å; F259-K275 HydrophobicContact CD1-CB 4.17Å; F259-K275 HydrophobicContact CD2-CB 4.42Å; F259-K275 HydrophobicContact CE1-CB 3.84Å; F259-K275 HydrophobicContact CE1-CG 4.2Å; F259-K275 HydrophobicContact CE2-CB 4.12Å; F259-K275 HydrophobicContact CG-CB 4.47Å; F259-K275 HydrophobicContact CZ-CB 3.83Å; F259-K275 HydrophobicContact CZ-CD 4.12Å; F259-K275 HydrophobicContact CZ-CG 4.04Å; G271-K275 WeakPolarHBondContact O-CB 3.37Å; G271-K275 PolarHBondContact O-N 3.04Å; A272-K275 PolarHBondContact O-N 3.36Å; K273-K275 VanDerWaalsContact C-N 3.29Å; K273-K275 PolarHBondContact O-N 3.16Å; K275-I279 WeakPolarHBondContact O-CB 3.3Å; K275-I279 WeakPolarHBondContact O-CD1 3.44Å; K275-I279 WeakPolarHBondContact O-CG1 3.37Å; K275-I279 PolarHBondContact O-N 3.36Å
276	V	89.9	Confident	81.4	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66.5	-49.2	171.2	178.5	0	0	0	0	110.5	V70 L256 F259 L260 L263 A272 K273 K278 I279 L280	V70-V276 HydrophobicContact CB-CG1 4.45Å; V70-V276 HydrophobicContact CG1-CB 4.36Å; V70-V276 HydrophobicContact CG1-CG1 3.94Å; V70-V276 HydrophobicContact CG2-CB 4.3Å; V70-V276 HydrophobicContact CG2-CG1 3.72Å; L256-V276 HydrophobicContact CD1-CB 4.47Å; L256-V276 HydrophobicContact CD1-CG1 3.9Å; L256-V276 HydrophobicContact CD1-CG2 4.26Å; F259-V276 HydrophobicContact CB-CG2 3.5Å; F259-V276 HydrophobicContact CG-CG2 4.36Å; L260-V276 HydrophobicContact CD2-CG1 4.04Å; L260-V276 HydrophobicContact CD2-CG2 4.31Å; L263-V276 HydrophobicContact CD1-CG2 3.86Å; A272-V276 WeakPolarHBondContact O-CG2 3.39Å; A272-V276 PolarHBondContact O-N 2.88Å; K273-V276 PolarHBondContact O-N 3.17Å; K273-V276 VanDerWaalsContact O-N 3.13Å; V276-K278 VanDerWaalsContact C-N 3.31Å; V276-K278 PolarHBondContact O-N 2.63Å; V276-I279 PolarHBondContact O-N 3.31Å; V276-I279 VanDerWaalsContact O-N 3.13Å; V276-L280 HydrophobicContact CG1-CD1 3.74Å; V276-L280 HydrophobicContact CG1-CG 4.21Å; V276-L280 VanDerWaalsContact O-CG 3.32Å; V276-L280 WeakPolarHBondContact O-CG 3.22Å; V276-L280 PolarHBondContact O-N 2.96Å
277	E	89	Confident	80.3	Confident	12 Å²	12	54 Å²	54	6%	0.056	29%	0.289	C	S	.	.	H	α-helix	trans	-50.4	-49.4	174.1	-75.9	168.5	173.4	0	0	111.2	P63 S67 V70 K273 R274 C281	P63-E277 HydrophobicContact CB-CB 3.89Å; P63-E277 WeakPolarHBondContact O-CB 3.41Å; P63-E277 WeakPolarHBondContact O-CG 3.34Å; S67-E277 WeakPolarHBondContact CA-OE1 3.38Å; S67-E277 WeakPolarHBondContact CB-OE1 3.38Å; V70-E277 HydrophobicContact CG2-CG 3.77Å; K273-E277 WeakPolarHBondContact CE-OE1 3.39Å; K273-E277 HydrophobicContact CG-CG 4.32Å; K273-E277 WeakPolarHBondContact CG-OE1 3.49Å; K273-E277 WeakPolarHBondContact O-CB 3.31Å; K273-E277 VanDerWaalsContact O-CG 3.28Å; K273-E277 WeakPolarHBondContact O-CG 3.29Å; K273-E277 PolarHBondContact O-N 2.69Å; R274-E277 WeakPolarHBondContact CA-OE2 3.36Å; E277-C281 VanDerWaalsContact O-CB 3.24Å; E277-C281 WeakPolarHBondContact O-CB 3.41Å; E277-C281 PolarHBondContact O-N 2.62Å
278	K	87.6	Confident	78.7	Confident	101 Å²	101	53.3 Å²	53.3	44%	0.439	29%	0.289	S	S	.	.	H	α-helix	trans	-66	-45.2	175.8	178.8	165.8	178	170.8	0	113	P63 R274 V276 L280 C281 D282	P63-K278 HydrophobicContact CG-CB 4.45Å; R274-K278 WeakPolarHBondContact O-CB 3.31Å; R274-K278 PolarHBondContact O-N 2.83Å; V276-K278 VanDerWaalsContact C-N 3.31Å; V276-K278 PolarHBondContact O-N 2.63Å; K278-L280 VanDerWaalsContact C-N 3.28Å; K278-L280 PolarHBondContact O-N 2.93Å; K278-C281 VanDerWaalsContact O-CB 3.32Å; K278-C281 WeakPolarHBondContact O-CB 3.47Å; K278-C281 PolarHBondContact O-N 3.18Å; K278-D282 VanDerWaalsContact CE-OD1 3.31Å; K278-D282 WeakPolarHBondContact CE-OD1 3.42Å; K278-D282 WeakPolarHBondContact CE-OD2 3.2Å; K278-D282 WeakPolarHBondContact CG-OD2 3.49Å; K278-D282 VanDerWaalsContact O-CG 3.27Å; K278-D282 PolarHBondContact O-N 2.94Å
279	I	88	Confident	77.6	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.015	28%	0.279	C	S	.	.	H	α-helix	trans	-60.7	-40.7	-179.9	-73.1	163.8	0	0	0	110.7	V252 L256 F259 K275 V276 D282 L283	V252-I279 HydrophobicContact CG1-CG2 3.83Å; L256-I279 HydrophobicContact CB-CG2 4.4Å; L256-I279 HydrophobicContact CD1-CG2 4.09Å; L256-I279 HydrophobicContact CD2-CG2 4.21Å; L256-I279 HydrophobicContact CG-CG2 4.47Å; F259-I279 HydrophobicContact CD2-CD1 3.71Å; F259-I279 HydrophobicContact CE2-CD1 3.64Å; K275-I279 WeakPolarHBondContact O-CB 3.3Å; K275-I279 WeakPolarHBondContact O-CD1 3.44Å; K275-I279 WeakPolarHBondContact O-CG1 3.37Å; K275-I279 PolarHBondContact O-N 3.36Å; V276-I279 PolarHBondContact O-N 3.31Å; V276-I279 VanDerWaalsContact O-N 3.13Å; I279-D282 PolarHBondContact O-N 3.42Å; I279-L283 HydrophobicContact CG2-CD1 3.66Å; I279-L283 HydrophobicContact CG2-CG 4.26Å; I279-L283 WeakPolarHBondContact O-CB 3.38Å; I279-L283 WeakPolarHBondContact O-CG 3.31Å; I279-L283 PolarHBondContact O-N 3.32Å
280	L	86.9	Confident	75.9	Confident	5 Å²	5	56.4 Å²	56.4	3%	0.026	30%	0.303	C	S	.	.	H	α-helix	trans	-67.4	-42.1	175.1	-65.1	170.3	0	0	0	111.8	L66 F69 V70 I73 V276 K278 D282 L283 L284	L66-L280 HydrophobicContact CD1-CB 4.15Å; F69-L280 HydrophobicContact CD1-CD1 3.97Å; F69-L280 HydrophobicContact CE1-CD1 4.01Å; F69-L280 HydrophobicContact CE1-CD2 4.32Å; V70-L280 HydrophobicContact CG2-CD1 3.77Å; I73-L280 HydrophobicContact CD1-CD1 3.4Å; I73-L280 HydrophobicContact CD1-CD2 3.89Å; I73-L280 HydrophobicContact CD1-CG 4.31Å; V276-L280 HydrophobicContact CG1-CD1 3.74Å; V276-L280 HydrophobicContact CG1-CG 4.21Å; V276-L280 VanDerWaalsContact O-CG 3.32Å; V276-L280 WeakPolarHBondContact O-CG 3.22Å; V276-L280 PolarHBondContact O-N 2.96Å; K278-L280 VanDerWaalsContact C-N 3.28Å; K278-L280 PolarHBondContact O-N 2.93Å; L280-D282 PolarHBondContact O-N 2.82Å; L280-L283 PolarHBondContact O-N 2.88Å; L280-L284 VanDerWaalsContact O-CB 3.26Å; L280-L284 WeakPolarHBondContact O-CB 3.45Å; L280-L284 WeakPolarHBondContact O-CD1 3.43Å; L280-L284 WeakPolarHBondContact O-CG 3.41Å; L280-L284 PolarHBondContact O-N 3.36Å
281	C	85.4	Confident	74.7	Confident	13 Å²	13	55.4 Å²	55.4	9%	0.088	30%	0.295	C	S	.	.	H	α-helix	trans	-54.6	-51	172.6	-177.5	0	0	0	0	111.5	M56 P63 L66 E277 K278 S285	M56-C281 HydrophobicContact CE-CB 4.17Å; M56-C281 WeakPolarHBondContact CE-O 3.37Å; M56-C281 VanDerWaalsContact CE-SG 3.51Å; P63-C281 HydrophobicContact CG-CB 4.2Å; L66-C281 HydrophobicContact CD1-CB 3.98Å; E277-C281 VanDerWaalsContact O-CB 3.24Å; E277-C281 WeakPolarHBondContact O-CB 3.41Å; E277-C281 PolarHBondContact O-N 2.62Å; K278-C281 VanDerWaalsContact O-CB 3.32Å; K278-C281 WeakPolarHBondContact O-CB 3.47Å; K278-C281 PolarHBondContact O-N 3.18Å; C281-S285 WeakPolarHBondContact O-CB 3.23Å; C281-S285 PolarHBondContact O-N 3.19Å; C281-S285 PolarHBondContact O-OG 3.42Å
282	D	82.8	Confident	73	Confident	61 Å²	61	57.5 Å²	57.5	33%	0.326	30%	0.297	S	S	.	.	H	α-helix	trans	-63.5	-46	179.1	-63.6	-22.8	0	0	0	111.2	K278 I279 L280 S285 L286	K278-D282 VanDerWaalsContact CE-OD1 3.31Å; K278-D282 WeakPolarHBondContact CE-OD1 3.42Å; K278-D282 WeakPolarHBondContact CE-OD2 3.2Å; K278-D282 WeakPolarHBondContact CG-OD2 3.49Å; K278-D282 VanDerWaalsContact O-CG 3.27Å; K278-D282 PolarHBondContact O-N 2.94Å; I279-D282 PolarHBondContact O-N 3.42Å; L280-D282 PolarHBondContact O-N 2.82Å; D282-S285 PolarHBondContact O-N 2.83Å; D282-L286 WeakPolarHBondContact O-CB 3.47Å; D282-L286 WeakPolarHBondContact O-CD1 3.31Å; D282-L286 VanDerWaalsContact O-CG 3.26Å; D282-L286 WeakPolarHBondContact O-CG 3.38Å; D282-L286 PolarHBondContact O-N 2.91Å; D282-L286 VanDerWaalsContact O-N 3.08Å
283	L	83.3	Confident	71.1	Confident	31 Å²	31	60.9 Å²	60.9	16%	0.162	32%	0.317	C	S	.	.	H	α-helix	trans	-66.2	-38.2	179.9	-71.1	170.6	0	0	0	113.4	V252 L256 I279 L280 S285 V291	V252-L283 HydrophobicContact CG1-CD1 4.49Å; V252-L283 HydrophobicContact CG1-CD2 4.43Å; L256-L283 HydrophobicContact CD2-CD1 4.31Å; I279-L283 HydrophobicContact CG2-CD1 3.66Å; I279-L283 HydrophobicContact CG2-CG 4.26Å; I279-L283 WeakPolarHBondContact O-CB 3.38Å; I279-L283 WeakPolarHBondContact O-CG 3.31Å; I279-L283 PolarHBondContact O-N 3.32Å; L280-L283 PolarHBondContact O-N 2.88Å; L283-S285 VanDerWaalsContact C-N 3.34Å; L283-V291 HydrophobicContact CB-CG1 4.17Å; L283-V291 HydrophobicContact CD2-CG1 3.77Å
284	L	79.7	Confident	69.4	Low	22 Å²	22	60.5 Å²	60.5	12%	0.115	32%	0.322	C	S	.	.	H	α-helix	trans	-72.9	-27.7	176.4	-68.3	169.4	0	0	0	112	F52 S53 M56 L66 F69 L280	F52-L284 HydrophobicContact CB-CD1 4.15Å; S53-L284 VanDerWaalsContact OG-CD2 3.31Å; S53-L284 WeakPolarHBondContact OG-CD2 3.24Å; M56-L284 HydrophobicContact CE-CB 4.43Å; M56-L284 HydrophobicContact CG-CB 4.13Å; L66-L284 HydrophobicContact CD1-CD1 4.32Å; F69-L284 HydrophobicContact CE1-CD1 4.15Å; L280-L284 VanDerWaalsContact O-CB 3.26Å; L280-L284 WeakPolarHBondContact O-CB 3.45Å; L280-L284 WeakPolarHBondContact O-CD1 3.43Å; L280-L284 WeakPolarHBondContact O-CG 3.41Å; L280-L284 PolarHBondContact O-N 3.36Å
285	S	72.3	Confident	67.7	Low	68 Å²	68	55.2 Å²	55.2	48%	0.476	31%	0.306	S	S	.	.	H	α-helix	trans	-77.5	-33.1	176.9	-57.7	0	0	0	0	113.4	M56 C281 D282 L283 A287	M56-S285 WeakPolarHBondContact CE-OG 3.39Å; C281-S285 WeakPolarHBondContact O-CB 3.23Å; C281-S285 PolarHBondContact O-N 3.19Å; C281-S285 PolarHBondContact O-OG 3.42Å; D282-S285 PolarHBondContact O-N 2.83Å; L283-S285 VanDerWaalsContact C-N 3.34Å; S285-A287 PolarHBondContact O-N 3.22Å
286	L	60.5	Low	65.8	Low	132 Å²	132	59.2 Å²	59.2	69%	0.691	32%	0.32	S	S	*	.	H	α-helix	trans	-78	-16	-170.6	-78.4	167.8	0	0	0	115.2	D282 D288	D282-L286 WeakPolarHBondContact O-CB 3.47Å; D282-L286 WeakPolarHBondContact O-CD1 3.31Å; D282-L286 VanDerWaalsContact O-CG 3.26Å; D282-L286 WeakPolarHBondContact O-CG 3.38Å; D282-L286 PolarHBondContact O-N 2.91Å; D282-L286 VanDerWaalsContact O-N 3.08Å; L286-D288 VanDerWaalsContact C-N 3.31Å; L286-D288 PolarHBondContact O-N 3.47Å
287	A	51.6	Low	63.6	Low	78 Å²	78	65.3 Å²	65.3	65%	0.645	35%	0.348	S	S	*	.			trans	43	35.5	158.9	0	0	0	0	0	119.3	S285	S285-A287 PolarHBondContact O-N 3.22Å
288	D	45.4	Very low	61.6	Low	92 Å²	92	68.1 Å²	68.1	49%	0.492	37%	0.366	S	S	.	.			trans	-91.2	138.5	159.3	-175.8	18.3	0	0	0	109.7	L286 N290 V291	L286-D288 VanDerWaalsContact C-N 3.31Å; L286-D288 PolarHBondContact O-N 3.47Å; D288-N290 PolarHBondContact O-N 2.93Å; D288-N290 VanDerWaalsContact O-N 3.09Å; D288-N290 PolarHBondContact OD1-ND2 3.49Å; D288-N290 PolarHBondContact OD2-ND2 3.32Å; D288-V291 PolarHBondContact O-N 2.87Å
289	E	48.8	Very low	59.5	Low	118 Å²	118	67.8 Å²	67.8	55%	0.551	37%	0.373	S	S	*	.	H	α-helix	trans	-59.4	-29.1	-170.5	-71.5	-62.4	150.9	0	0	112.7	V291 K292	E289-V291 PolarHBondContact O-N 3.39Å; E289-K292 PolarHBondContact O-N 3.11Å; E289-K292 IonicContact OE1-NZ 2.62Å; E289-K292 PolarHBondContact OE1-NZ 3.08Å; E289-K292 WeakPolarHBondContact OE2-CD 3.42Å; E289-K292 WeakPolarHBondContact OE2-CE 3.47Å; E289-K292 IonicContact OE2-NZ 2.76Å; E289-K292 PolarHBondContact OE2-NZ 3.23Å
290	N	45.5	Very low	57.1	Low	117 Å²	117	74.6 Å²	74.6	63%	0.626	41%	0.405	S	S	*	.	H	α-helix	trans	-57	-32.2	176	-61.7	-61.3	0	0	0	113.2	D288 V293 G294	D288-N290 PolarHBondContact O-N 2.93Å; D288-N290 VanDerWaalsContact O-N 3.09Å; D288-N290 PolarHBondContact OD1-ND2 3.49Å; D288-N290 PolarHBondContact OD2-ND2 3.32Å; N290-V293 WeakPolarHBondContact O-CB 3.44Å; N290-V293 PolarHBondContact O-N 2.68Å; N290-G294 PolarHBondContact O-N 3.18Å
291	V	47.8	Very low	54.4	Low	44 Å²	44	81.9 Å²	81.9	27%	0.267	44%	0.443	S	S	.	.	H	α-helix	trans	-71.1	-34.7	-178.4	-179.7	0	0	0	0	111.7	L283 D288 E289 V293 G294 L295	L283-V291 HydrophobicContact CB-CG1 4.17Å; L283-V291 HydrophobicContact CD2-CG1 3.77Å; D288-V291 PolarHBondContact O-N 2.87Å; E289-V291 PolarHBondContact O-N 3.39Å; V291-V293 PolarHBondContact O-N 3.3Å; V291-G294 PolarHBondContact O-N 2.81Å; V291-L295 HydrophobicContact CG1-CD1 4.46Å; V291-L295 PolarHBondContact O-N 2.71Å
292	K	44.6	Very low	51.9	Low	72 Å²	72	87.8 Å²	87.8	31%	0.313	48%	0.479	S	S	.	.	H	α-helix	trans	-65.1	-26.6	175.3	-56.7	-177.5	-161.4	160.1	0	111.9	E289 R296	E289-K292 PolarHBondContact O-N 3.11Å; E289-K292 IonicContact OE1-NZ 2.62Å; E289-K292 PolarHBondContact OE1-NZ 3.08Å; E289-K292 WeakPolarHBondContact OE2-CD 3.42Å; E289-K292 WeakPolarHBondContact OE2-CE 3.47Å; E289-K292 IonicContact OE2-NZ 2.76Å; E289-K292 PolarHBondContact OE2-NZ 3.23Å; K292-R296 VanDerWaalsContact O-CD 3.31Å; K292-R296 WeakPolarHBondContact O-CD 3.26Å; K292-R296 WeakPolarHBondContact O-CG 3.3Å; K292-R296 PolarHBondContact O-N 2.97Å
293	V	45.9	Very low	49.3	Very low	70 Å²	70	92.5 Å²	92.5	42%	0.424	50%	0.504	S	S	.	.	H	α-helix	trans	-72.5	-50	176.5	179.3	0	0	0	0	110.1	N290 V291 L295 R296 E297	N290-V293 WeakPolarHBondContact O-CB 3.44Å; N290-V293 PolarHBondContact O-N 2.68Å; V291-V293 PolarHBondContact O-N 3.3Å; V293-L295 VanDerWaalsContact C-N 3.35Å; V293-L295 PolarHBondContact O-N 3.04Å; V293-R296 CarbonylContact O-C 3.53Å; V293-R296 WeakPolarHBondContact O-CA 3.43Å; V293-R296 PolarHBondContact O-N 3.48Å; V293-E297 HydrophobicContact CG1-CG 3.79Å; V293-E297 WeakPolarHBondContact CG1-OE1 3.16Å; V293-E297 WeakPolarHBondContact O-CB 3.48Å; V293-E297 WeakPolarHBondContact O-CG 3.3Å; V293-E297 PolarHBondContact O-N 2.84Å
294	G	48.7	Very low	47.3	Very low	23 Å²	23	95.8 Å²	95.8	24%	0.237	53%	0.527	C	S	.	.	H	α-helix	trans	-58.9	-38.7	178.4	0	0	0	0	0	114.8	N290 V291 R296 E297 T298	N290-G294 PolarHBondContact O-N 3.18Å; V291-G294 PolarHBondContact O-N 2.81Å; G294-R296 PolarHBondContact O-N 2.97Å; G294-E297 PolarHBondContact O-N 2.81Å; G294-T298 PolarHBondContact O-N 2.92Å; G294-T298 VanDerWaalsContact O-N 3.14Å; G294-T298 PolarHBondContact O-OG1 2.76Å
295	L	50.1	Low	44.7	Very low	53 Å²	53	102.7 Å²	102.7	28%	0.277	56%	0.558	S	S	.	*	H	α-helix	trans	-69.2	-13.8	173.2	-80.7	166.1	0	0	0	114	L256 V291 V293 T298	L256-L295 HydrophobicContact CD2-CD2 4.48Å; V291-L295 HydrophobicContact CG1-CD1 4.46Å; V291-L295 PolarHBondContact O-N 2.71Å; V293-L295 VanDerWaalsContact C-N 3.35Å; V293-L295 PolarHBondContact O-N 3.04Å; L295-T298 PolarHBondContact O-OG1 2.93Å
296	R	47.5	Very low	42.4	Very low	128 Å²	128	107 Å²	107	48%	0.483	58%	0.575	S	S	.	*	H	α-helix	trans	-100.6	-37.2	174	-68.2	172.7	-178.5	-150.3	-3.3	111.4	D50 K292 V293 G294 T298 T299	D50-R296 IonicContact OD1-NH2 2.74Å; D50-R296 PolarHBondContact OD1-NH2 2.8Å; D50-R296 IonicContact OD2-NH2 3.26Å; K292-R296 VanDerWaalsContact O-CD 3.31Å; K292-R296 WeakPolarHBondContact O-CD 3.26Å; K292-R296 WeakPolarHBondContact O-CG 3.3Å; K292-R296 PolarHBondContact O-N 2.97Å; V293-R296 CarbonylContact O-C 3.53Å; V293-R296 WeakPolarHBondContact O-CA 3.43Å; V293-R296 PolarHBondContact O-N 3.48Å; G294-R296 PolarHBondContact O-N 2.97Å; R296-T298 VanDerWaalsContact C-N 3.35Å; R296-T298 PolarHBondContact O-N 2.81Å; R296-T299 PolarHBondContact O-N 2.95Å; R296-T299 PolarHBondContact O-OG1 3.49Å
297	E	44	Very low	40.8	Very low	128 Å²	128	111.8 Å²	111.8	60%	0.598	58%	0.584	S	S	*	*	H	α-helix	trans	-73.1	-18.4	179.3	-74.3	-173.7	157.1	0	0	114.5	V293 G294 T299 Q300	V293-E297 HydrophobicContact CG1-CG 3.79Å; V293-E297 WeakPolarHBondContact CG1-OE1 3.16Å; V293-E297 WeakPolarHBondContact O-CB 3.48Å; V293-E297 WeakPolarHBondContact O-CG 3.3Å; V293-E297 PolarHBondContact O-N 2.84Å; G294-E297 PolarHBondContact O-N 2.81Å; E297-T299 PolarHBondContact O-N 3.01Å; E297-Q300 PolarHBondContact O-N 3.25Å
298	T	47.6	Very low	39.6	Very low	71 Å²	71	113 Å²	113	44%	0.436	59%	0.588	S	S	.	*	T	Hydrogen-bonded Turn	trans	-57.5	-8.2	170.2	23.9	0	0	0	0	113.9	G294 L295 R296	G294-T298 PolarHBondContact O-N 2.92Å; G294-T298 VanDerWaalsContact O-N 3.14Å; G294-T298 PolarHBondContact O-OG1 2.76Å; L295-T298 PolarHBondContact O-OG1 2.93Å; R296-T298 VanDerWaalsContact C-N 3.35Å; R296-T298 PolarHBondContact O-N 2.81Å
299	T	43.3	Very low	38.7	Very low	94 Å²	94	117 Å²	117	58%	0.577	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-28.9	167.9	59.5	0	0	0	0	114.4	K80 R296 E297	K80-T299 PolarHBondContact NZ-O 3.16Å; K80-T299 VanDerWaalsContact NZ-O 3.15Å; R296-T299 PolarHBondContact O-N 2.95Å; R296-T299 PolarHBondContact O-OG1 3.49Å; E297-T299 PolarHBondContact O-N 3.01Å
300	Q	38	Very low	37.6	Very low	147 Å²	147	120.7 Å²	120.7	69%	0.687	62%	0.618	S	S	*	*	S	Bend	trans	-127.8	124.6	-164.6	-66.2	-176.2	1.1	0	0	116.2	E297	E297-Q300 PolarHBondContact O-N 3.25Å
301	N	30.4	Very low	36.7	Very low	157 Å²	157	122.1 Å²	122.1	84%	0.84	62%	0.624	S	S	*	*			trans	73.5	166.6	154	-60.9	-18.5	0	0	0	121.4
302	T	32	Very low	35.7	Very low	137 Å²	137	125.6 Å²	125.6	84%	0.84	65%	0.645	S	S	*	*			trans	-112.6	156.7	-164.6	36.9	0	0	0	0	113.5
303	L	29.3	Very low	34.8	Very low	160 Å²	160	126.7 Å²	126.7	84%	0.838	67%	0.668	S	S	*	*			trans	-54.2	158.6	164.6	-105.3	80.3	0	0	0	112.3
304	P	40.6	Very low	33.7	Very low	101 Å²	101	130.4 Å²	130.4	66%	0.656	68%	0.681	S	S	*	*			cis	-138.8	176.7	32.5	32.4	-9.5	0	0	0	118.6
305	H	25.9	Very low	32.6	Very low	166 Å²	166	134.2 Å²	134.2	77%	0.769	71%	0.71	S	S	*	*			trans	95	134.3	156.8	-70.7	-67.6	0	0	0	122.6
306	L	23.5	Very low	31.5	Very low	159 Å²	159	138.9 Å²	138.9	83%	0.832	73%	0.731	S	S	*	*			trans	79.3	104	143.6	-74.4	164.8	0	0	0	122.5
307	R	27	Very low	30.4	Very low	233 Å²	233	138.3 Å²	138.3	88%	0.879	74%	0.741	S	S	*	*			trans	-30.2	150.7	137.1	-60.2	166.8	161.3	171.5	-8.2	112.1
308	S	24.9	Very low	29.4	Very low	103 Å²	103	141.1 Å²	141.1	72%	0.72	76%	0.755	S	S	*	*				171.6	167.1	64.5	-157.7	0	0	0	0	113.6
309	K	27.5	Very low	28.3	Very low	177 Å²	177	142.8 Å²	142.8	77%	0.77	77%	0.769	S	S	*	*			trans	70.5	114	161.4	-60.3	-172.6	-179.1	-177.7	0	119.9
310	H	25.2	Very low	28	Very low	195 Å²	195	143.1 Å²	143.1	90%	0.903	77%	0.773	S	S	*	*			trans	-90.4	153.7	138.4	-89.4	-95	0	0	0	110.1
311	L	26.5	Very low	27.3	Very low	146 Å²	146	146.7 Å²	146.7	76%	0.764	78%	0.78	S	S	*	*			trans	-144.7	128.6	161.5	-80.5	176.7	0	0	0	111.6
312	V	26.7	Very low	27	Very low	117 Å²	117	146.1 Å²	146.1	71%	0.709	77%	0.773	S	S	*	*			trans	50.8	111.5	140.9	-171.3	0	0	0	0	120.7	E314	V312-E314 HydrophobicContact CG1-CG 4.1Å
313	A	25.4	Very low	26.6	Very low	96 Å²	96	148.5 Å²	148.5	79%	0.793	77%	0.766	S	S	*	*				-162.3	99.5	126.6	0	0	0	0	0	106.8
314	E	24.6	Very low	26.4	Very low	147 Å²	147	147.3 Å²	147.3	69%	0.687	76%	0.756	S	S	*	*				58	106.8	80.2	-75.8	-143.8	-168.4	0	0	116.2	V312 Q316	V312-E314 HydrophobicContact CG1-CG 4.1Å; E314-Q316 PolarHBondContact OE2-NE2 3.06Å
315	A	24.5	Very low	25.6	Very low	104 Å²	104	149.2 Å²	149.2	86%	0.86	76%	0.756	S	S	*	*			trans	-137.4	130.8	143.7	0	0	0	0	0	107.8
316	Q	26.7	Very low	25.5	Very low	150 Å²	150	149.1 Å²	149.1	70%	0.701	76%	0.756	S	S	*	*			trans	-93.2	173.5	-178.4	-55	166.8	12	0	0	108	E314	E314-Q316 PolarHBondContact OE2-NE2 3.06Å
317	T	24.5	Very low	25.6	Very low	116 Å²	116	149.7 Å²	149.7	71%	0.712	76%	0.755	S	S	*	*			cis	-164.8	140.6	20.9	-28.7	0	0	0	0	105.9
318	Q	24.1	Very low	25.5	Very low	187 Å²	187	147.6 Å²	147.6	87%	0.874	75%	0.754	S	S	*	*				179.9	166.5	84.9	-86.5	-177.4	0.8	0	0	111
319	S	23.3	Very low	25.6	Very low	107 Å²	107	150.2 Å²	150.2	75%	0.748	76%	0.755	S	S	*	*			trans	-148.4	-174.4	175.4	69.6	0	0	0	0	107.6
320	P	37.8	Very low	25.5	Very low	100 Å²	100	149 Å²	149	65%	0.649	76%	0.762	S	S	*	*			cis	-144.6	-161.6	15.9	33.3	-6.8	0	0	0	115.8
321	R	22.9	Very low	25.4	Very low	223 Å²	223	150 Å²	150	84%	0.842	76%	0.758	S	S	*	*			trans	82.8	149.3	161.6	-63.5	176.7	-175.6	-166.3	1.6	117.8
322	Q	24.9	Very low	25.4	Very low	145 Å²	145	148 Å²	148	68%	0.678	76%	0.763	S	S	*	*			cis	-170.7	153.1	-34	-128.2	-179.2	-3.6	0	0	110.4
323	R	23.6	Very low	25.3	Very low	186 Å²	186	147 Å²	147	70%	0.702	77%	0.767	S	S	*	*			trans	69	133.8	151.4	-69.4	170.6	178.9	-130	6.5	121.7
324	Q	23.6	Very low	25.4	Very low	135 Å²	135	148.3 Å²	148.3	63%	0.631	77%	0.77	S	S	*	*			trans	65.5	156.2	131.8	-66	179.9	-88.6	0	0	119.7
325	E	24.4	Very low	25.5	Very low	142 Å²	142	145 Å²	145	66%	0.664	77%	0.768	S	S	*	*			cis	-167.4	173.4	-30.4	-117	176.8	135.6	0	0	108.5
326	Q	24.3	Very low	25.5	Very low	164 Å²	164	149.2 Å²	149.2	77%	0.766	77%	0.77	S	S	*	*			trans	67.7	125.6	168.3	-66.6	160.4	29.1	0	0	115.8
327	Q	24.6	Very low	25.5	Very low	170 Å²	170	150.9 Å²	150.9	79%	0.794	78%	0.777	S	S	*	*				69.7	103.6	63.1	-71.5	-172.4	-15.2	0	0	115.3
328	H	25.4	Very low	25.6	Very low	189 Å²	189	152.3 Å²	152.3	88%	0.875	79%	0.786	S	S	*	*				-160.5	163.6	115.3	-112.8	68.1	0	0	0	113.9
329	Q	26.1	Very low	25.6	Very low	159 Å²	159	149.8 Å²	149.8	74%	0.743	78%	0.778	S	S	*	*			trans	-106.3	153	177.9	-60.8	174.3	-5.5	0	0	111.1
330	V	25.6	Very low	25.7	Very low	151 Å²	151	148.2 Å²	148.2	92%	0.915	78%	0.779	S	S	*	*			trans	-134.8	150.6	148.9	-176.4	0	0	0	0	108.3
331	R	24.7	Very low	25.1	Very low	216 Å²	216	151.1 Å²	151.1	82%	0.815	78%	0.784	S	S	*	*			trans	-125.8	156.8	-172.3	-89.4	177.6	160.3	-176.9	-4.9	112
332	A	25.4	Very low	25.2	Very low	105 Å²	105	149.5 Å²	149.5	87%	0.868	79%	0.786	S	S	*	*			trans	66.2	154.7	164.7	0	0	0	0	0	115.5
333	A	25.3	Very low	25.1	Very low	95 Å²	95	150.7 Å²	150.7	79%	0.785	79%	0.789	S	S	*	*			cis	-141.8	179.9	-2.8	0	0	0	0	0	108.4
334	S	26.6	Very low	24.9	Very low	124 Å²	124	151 Å²	151	87%	0.867	79%	0.79	S	S	*	*			cis	-148.6	-160.6	9.8	-161.8	0	0	0	0	110.6
335	A	26.4	Very low	24.8	Very low	78 Å²	78	155.3 Å²	155.3	65%	0.645	80%	0.8	S	S	*	*			trans	-104.1	158.2	-178.8	0	0	0	0	0	114.3
336	H	26.2	Very low	24.6	Very low	192 Å²	192	154.3 Å²	154.3	89%	0.889	80%	0.796	S	S	*	*			trans	-148.5	131.8	137.3	-109.2	-75.9	0	0	0	110.1
337	Q	26	Very low	24.5	Very low	184 Å²	184	151.5 Å²	151.5	86%	0.86	79%	0.794	S	S	*	*			trans	-92.9	146.6	168	-64.5	170.7	-62.9	0	0	109.4
338	V	26	Very low	24.3	Very low	147 Å²	147	150.8 Å²	150.8	89%	0.891	80%	0.795	S	S	*	*			trans	-135.9	139	148.5	-178.1	0	0	0	0	107.3
339	D	24.8	Very low	24.2	Very low	134 Å²	134	150.6 Å²	150.6	72%	0.717	79%	0.794	S	S	*	*			trans	-80.7	158.9	-174.8	-169	15.8	0	0	0	112.7
340	G	25	Very low	24.1	Very low	74 Å²	74	153.9 Å²	153.9	76%	0.763	80%	0.8	S	S	*	*			trans	-132.6	46.1	-171.4	0	0	0	0	0	113.6
341	Q	25.3	Very low	23.9	Very low	161 Å²	161	155 Å²	155	75%	0.752	80%	0.8	S	S	*	*			trans	-59.5	153	-179.8	-89.5	-164.5	-52.3	0	0	114.7
342	E	24.3	Very low	23.8	Very low	188 Å²	188	148 Å²	148	88%	0.879	80%	0.795	S	S	*	*			trans	-54.4	142.1	176.4	-58.6	168.6	104.3	0	0	113.1
343	K	23.1	Very low	23.8	Very low	171 Å²	171	150.8 Å²	150.8	74%	0.743	79%	0.794	S	S	*	*			trans	-122.6	89.7	165.9	-75.8	-168.9	176.1	179.5	0	112.4
344	R	20.3	Very low	23.7	Very low	193 Å²	193	151.1 Å²	151.1	73%	0.728	79%	0.791	S	S	*	*			trans	-44.7	131.4	147.1	171.3	-179.4	177.4	179.4	-5.5	109.2	E346	R344-E346 IonicContact CZ-OE1 2.72Å; R344-E346 IonicContact CZ-OE2 3.19Å; R344-E346 IonicContact NE-OE1 3.17Å; R344-E346 PolarHBondContact NE-OE1 3.14Å; R344-E346 IonicContact NE-OE2 2.79Å; R344-E346 VanDerWaalsContact NH2-CD 3.33Å; R344-E346 IonicContact NH2-OE1 3.68Å; R344-E346 PolarHBondContact NH2-OE1 3.48Å; R344-E346 IonicContact NH2-OE2 2.74Å; R344-E346 PolarHBondContact NH2-OE2 3.49Å
345	W	21	Very low	23.6	Very low	224 Å²	224	154.3 Å²	154.3	85%	0.848	78%	0.784	S	S	*	*			trans	-118	139.4	166.2	-82.2	102.4	0	0	0	109.7
346	E	20.3	Very low	23.4	Very low	122 Å²	122	155.3 Å²	155.3	57%	0.57	79%	0.792	S	S	*	*			trans	-148.1	155	-169.4	-161.8	162.6	-88.4	0	0	107.5	R344	R344-E346 IonicContact CZ-OE1 2.72Å; R344-E346 IonicContact CZ-OE2 3.19Å; R344-E346 IonicContact NE-OE1 3.17Å; R344-E346 PolarHBondContact NE-OE1 3.14Å; R344-E346 IonicContact NE-OE2 2.79Å; R344-E346 VanDerWaalsContact NH2-CD 3.33Å; R344-E346 IonicContact NH2-OE1 3.68Å; R344-E346 PolarHBondContact NH2-OE1 3.48Å; R344-E346 IonicContact NH2-OE2 2.74Å; R344-E346 PolarHBondContact NH2-OE2 3.49Å
347	S	21.5	Very low	23.4	Very low	104 Å²	104	153.2 Å²	153.2	73%	0.727	78%	0.783	S	S	*	*			trans	68.8	123.3	179.5	-49.5	0	0	0	0	117.6
348	L	22	Very low	23.1	Very low	156 Å²	156	149.5 Å²	149.5	82%	0.817	78%	0.777	S	S	*	*				-151.2	118.5	102.4	-142.3	81.2	0	0	0	111.6
349	E	22.7	Very low	23	Very low	184 Å²	184	150.3 Å²	150.3	86%	0.86	78%	0.775	S	S	*	*			trans	-80.6	144.1	154.6	-63.8	-176	123.9	0	0	109.3
350	R	23.2	Very low	23	Very low	228 Å²	228	154.7 Å²	154.7	86%	0.86	78%	0.782	S	S	*	*			trans	-155.3	137.9	141.1	-152.4	162.2	-80.6	-150.3	-2.8	113.2
351	L	22.3	Very low	22.9	Very low	175 Å²	175	159.6 Å²	159.6	92%	0.916	79%	0.787	S	S	*	*			trans	-81.9	160.5	170.6	-59.3	118.8	0	0	0	111.4
352	G	22.6	Very low	22.8	Very low	68 Å²	68	161.1 Å²	161.1	70%	0.701	79%	0.794	S	S	*	*			trans	173.4	123	159.3	0	0	0	0	0	116.9
353	L	24.5	Very low	22.7	Very low	164 Å²	164	155.8 Å²	155.8	86%	0.859	79%	0.789	S	S	*	*			trans	72.9	118.7	163.6	-47.5	176.3	0	0	0	116
354	S	24.3	Very low	22.6	Very low	103 Å²	103	153.9 Å²	153.9	72%	0.72	80%	0.798	S	S	*	*			cis	75.6	143	27.3	103.6	0	0	0	0	114.5
355	R	24.3	Very low	23	Very low	191 Å²	191	150.6 Å²	150.6	72%	0.721	80%	0.804	S	S	*	*			cis	-166.1	150.6	-2.1	110.5	-169.8	-178.9	-179.4	3.3	110.6	Q357	R355-Q357 HydrophobicContact CG-CG 4.45Å
356	A	21.9	Very low	23.2	Very low	98 Å²	98	145.4 Å²	145.4	81%	0.81	80%	0.802	S	S	*	*			trans	-159.1	87.7	161.3	0	0	0	0	0	109.2
357	Q	25.5	Very low	23.8	Very low	149 Å²	149	144.6 Å²	144.6	70%	0.696	81%	0.81	S	S	*	*				63.1	93.8	91.2	-83.5	-179.2	-98.4	0	0	116.6	R355	R355-Q357 HydrophobicContact CG-CG 4.45Å
358	S	21.2	Very low	23.9	Very low	106 Å²	106	148.6 Å²	148.6	74%	0.741	82%	0.817	S	S	*	*			trans	-36.6	144.7	159.5	178.2	0	0	0	0	116.3
359	L	22.6	Very low	24.3	Very low	163 Å²	163	150.3 Å²	150.3	85%	0.853	82%	0.821	S	S	*	*			trans	-131.6	131.6	146.4	-76.7	176.8	0	0	0	110
360	R	25	Very low	24.5	Very low	227 Å²	227	144 Å²	144	86%	0.857	81%	0.805	S	S	*	*			trans	-96.3	139.2	154.2	-69.5	-177.1	-179.9	-179	0.3	107.6
361	M	22.8	Very low	25.1	Very low	177 Å²	177	139.2 Å²	139.2	87%	0.872	80%	0.796	S	S	*	*			trans	-142.4	152.6	156.9	-87	-58.1	154.4	0	0	110.7
362	H	23.1	Very low	25.4	Very low	193 Å²	193	139.8 Å²	139.8	89%	0.894	79%	0.791	S	S	*	*			trans	-90.1	143.6	174.4	-85.9	-103.8	0	0	0	111.2
363	G	22.3	Very low	26	Very low	76 Å²	76	148 Å²	148	78%	0.784	80%	0.801	S	S	*	*			trans	70.3	104.5	140.4	0	0	0	0	0	119.3
364	S	22.1	Very low	26.5	Very low	131 Å²	131	144.1 Å²	144.1	92%	0.916	78%	0.784	S	S	*	*				-159.1	156.9	128	42.1	0	0	0	0	110
365	S	28.8	Very low	26.8	Very low	123 Å²	123	142.9 Å²	142.9	86%	0.86	78%	0.775	S	S	*	*			trans	-95.6	128.5	-172.7	52.9	0	0	0	0	112.6
366	S	23.8	Very low	27.2	Very low	116 Å²	116	135.6 Å²	135.6	81%	0.811	75%	0.753	S	S	*	*			trans	-148.3	145.8	152.7	-168	0	0	0	0	109.5
367	S	32.5	Very low	27.3	Very low	105 Å²	105	135.1 Å²	135.1	73%	0.734	75%	0.749	S	S	*	*			trans	-106.4	118.8	179.1	-176	0	0	0	0	110
368	E	25.2	Very low	27.6	Very low	187 Å²	187	133.3 Å²	133.3	87%	0.874	75%	0.751	S	S	*	*			trans	-133.8	108.1	161.8	-74.3	-151.9	125.5	0	0	110.2	G370	E368-G370 PolarHBondContact O-N 2.92Å
369	E	29.3	Very low	27.9	Very low	193 Å²	193	137.1 Å²	137.1	90%	0.902	76%	0.756	S	S	*	*			trans	-100.5	82.9	-178.8	-168.5	156.9	-131.4	0	0	110.2
370	G	27.1	Very low	28.2	Very low	50 Å²	50	137.2 Å²	137.2	52%	0.515	76%	0.757	S	S	.	*			trans	-78.9	136.1	176.3	0	0	0	0	0	112.6	E368 K372	E368-G370 PolarHBondContact O-N 2.92Å; G370-K372 PolarHBondContact O-N 3.27Å; G370-K372 VanDerWaalsContact O-N 3.1Å
371	L	35.5	Very low	28.3	Very low	129 Å²	129	130.1 Å²	130.1	68%	0.675	75%	0.754	S	S	*	*			trans	-58.2	111	174.5	-70.6	169.1	0	0	0	110.8
372	K	29.8	Very low	28.4	Very low	187 Å²	187	128.1 Å²	128.1	81%	0.813	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-87.3	134.9	-176.4	-73	167.7	-171.6	164.9	0	111.1	G370 V374	G370-K372 PolarHBondContact O-N 3.27Å; G370-K372 VanDerWaalsContact O-N 3.1Å; K372-V374 PolarHBondContact O-N 3.06Å; K372-V374 VanDerWaalsContact O-N 3.14Å
373	R	34.4	Very low	28.6	Very low	240 Å²	240	126.6 Å²	126.6	91%	0.906	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-55.9	116.4	165.1	-143.7	179.9	-63.5	142	-0.6	108	S375	R373-S375 PolarHBondContact O-N 3.15Å
374	V	35	Very low	28.8	Very low	83 Å²	83	128.5 Å²	128.5	50%	0.503	73%	0.733	S	S	.	*	P	Polyproline II helix	trans	-65.1	131.1	-164.7	-171.2	0	0	0	0	111	K372 C538	K372-V374 PolarHBondContact O-N 3.06Å; K372-V374 VanDerWaalsContact O-N 3.14Å; V374-C538 VanDerWaalsContact CG1-SG 3.55Å
375	S	30.6	Very low	29	Very low	76 Å²	76	130.3 Å²	130.3	53%	0.531	72%	0.724	S	S	.	*			trans	-152.9	116.6	172.4	-73.3	0	0	0	0	108.4	R373	R373-S375 PolarHBondContact O-N 3.15Å
376	S	32.2	Very low	28.7	Very low	38 Å²	38	128.1 Å²	128.1	27%	0.266	72%	0.72	S	S	.	*			trans	-94.6	127.3	-174.9	46.6	0	0	0	0	111.5
377	A	24.9	Very low	28.7	Very low	88 Å²	88	127.8 Å²	127.8	73%	0.727	72%	0.719	S	S	*	*			trans	-143.9	107.7	168.4	0	0	0	0	0	109.2
378	P	30.5	Very low	28.6	Very low	112 Å²	112	131.1 Å²	131.1	73%	0.727	73%	0.727	S	S	*	*			trans	-72.5	131.3	172.9	-14.9	30.3	0	0	0	110.7
379	Q	28.2	Very low	28.6	Very low	185 Å²	185	129.4 Å²	129.4	86%	0.864	72%	0.723	S	S	*	*			trans	-80	123.1	165.2	-72.8	-77.6	4	0	0	109.1
380	L	28.4	Very low	28.3	Very low	166 Å²	166	129.8 Å²	129.8	87%	0.869	72%	0.722	S	S	*	*			trans	-136.7	131.7	166.5	-72.2	177.1	0	0	0	108.5
381	G	26.8	Very low	28.4	Very low	77 Å²	77	138.2 Å²	138.2	79%	0.794	74%	0.738	S	S	*	*			trans	-102.7	128.6	-172.9	0	0	0	0	0	113.9
382	D	25.8	Very low	27.8	Very low	135 Å²	135	141.5 Å²	141.5	72%	0.722	75%	0.747	S	S	*	*			trans	45.8	129.4	142.8	-107.7	40.6	0	0	0	123.4
383	Q	26.8	Very low	27.5	Very low	162 Å²	162	140.8 Å²	140.8	76%	0.757	75%	0.751	S	S	*	*			trans	71.9	143.3	155.4	-58.7	173	52.4	0	0	115.8
384	D	26.1	Very low	27.1	Very low	116 Å²	116	134.6 Å²	134.6	62%	0.62	75%	0.745	S	S	*	*			cis	-148.4	173.4	30.1	-158.9	13.7	0	0	0	115.9
385	K	26.2	Very low	26.5	Very low	169 Å²	169	136.7 Å²	136.7	74%	0.735	76%	0.757	S	S	*	*			trans	-6.8	116.6	172.7	-65.1	150.9	-164.3	78.8	0	120.6
386	G	23.2	Very low	26.3	Very low	76 Å²	76	138.2 Å²	138.2	78%	0.784	77%	0.768	S	S	*	*				85.9	125	99.4	0	0	0	0	0	122
387	S	25.1	Very low	26	Very low	110 Å²	110	143.1 Å²	143.1	77%	0.769	79%	0.791	S	S	*	*				-172.9	150	125.6	50.7	0	0	0	0	112.3
388	L	28.5	Very low	26	Very low	174 Å²	174	147.2 Å²	147.2	91%	0.911	80%	0.799	S	S	*	*			trans	-105.2	110.5	177.3	-74.4	166.6	0	0	0	110.2
389	L	25.9	Very low	25.7	Very low	152 Å²	152	150.7 Å²	150.7	80%	0.796	81%	0.805	S	S	*	*			trans	-105.9	88	177	-70.2	178.9	0	0	0	112.3	R391	L389-R391 PolarHBondContact O-N 2.94Å
390	K	24.3	Very low	25.4	Very low	201 Å²	201	146.1 Å²	146.1	87%	0.874	79%	0.794	S	S	*	*			trans	-66.3	120.3	159	-67.6	178.4	178.5	178	0	108.6
391	R	27.5	Very low	25.2	Very low	227 Å²	227	149.6 Å²	149.6	86%	0.857	80%	0.797	S	S	*	*			trans	-92.2	111.5	160.3	-81.1	-170.1	167.7	103.3	-0.9	109.6	L389	L389-R391 PolarHBondContact O-N 2.94Å
392	K	23.1	Very low	25	Very low	198 Å²	198	151.3 Å²	151.3	86%	0.861	79%	0.792	S	S	*	*			trans	-73	148.3	147.3	-66.3	-178.3	175.8	-175.4	0	107.2
393	L	24.9	Very low	25	Very low	171 Å²	171	151.6 Å²	151.6	90%	0.895	80%	0.799	S	S	*	*			trans	-117.2	141.3	154.8	-78.3	169.6	0	0	0	107.9
394	S	24.2	Very low	24.8	Very low	111 Å²	111	150.3 Å²	150.3	78%	0.776	80%	0.797	S	S	*	*			trans	-105.6	150.1	-175	46.5	0	0	0	0	110.7
395	V	22.7	Very low	24.8	Very low	126 Å²	126	150.4 Å²	150.4	76%	0.764	81%	0.806	S	S	*	*			trans	-61.9	142.6	165.3	178.7	0	0	0	0	109.6
396	S	27.7	Very low	24.5	Very low	109 Å²	109	145 Å²	145	76%	0.762	80%	0.798	S	S	*	*			trans	-153.2	119.2	159.2	57.6	0	0	0	0	108.8
397	D	24.4	Very low	24.6	Very low	141 Å²	141	147.3 Å²	147.3	75%	0.754	80%	0.803	S	S	*	*			trans	-76.2	155.8	-175.1	-43.7	-92.4	0	0	0	112.6
398	I	25.8	Very low	24.6	Very low	173 Å²	173	147 Å²	147	89%	0.887	80%	0.801	S	S	*	*			trans	-148.1	134.8	157.8	-103.6	159.9	0	0	0	107.3
399	E	23.4	Very low	24.5	Very low	185 Å²	185	148 Å²	148	86%	0.864	80%	0.798	S	S	*	*			trans	-90.4	169	-168.9	-72.8	-171.1	118.2	0	0	115
400	S	23.1	Very low	24.5	Very low	89 Å²	89	151.7 Å²	151.7	62%	0.622	80%	0.803	S	S	*	*			trans	-40.8	153.5	179.3	58.2	0	0	0	0	118
401	Y	22.8	Very low	24.5	Very low	239 Å²	239	150.4 Å²	150.4	94%	0.937	80%	0.797	S	S	*	*			trans	-121.6	146.8	134.3	-118.5	-94.1	0	0	0	110.4
402	V	24	Very low	24.5	Very low	113 Å²	113	149.5 Å²	149.5	69%	0.685	80%	0.799	S	S	*	*			trans	-110.7	139	-171.6	179.3	0	0	0	0	110.5
403	V	25.9	Very low	24.6	Very low	142 Å²	142	148.1 Å²	148.1	86%	0.861	80%	0.796	S	S	*	*			trans	-133.2	121.2	158.8	-176.7	0	0	0	0	108.3
404	D	21.4	Very low	24.6	Very low	135 Å²	135	143.7 Å²	143.7	72%	0.722	79%	0.791	S	S	*	*			trans	-91	149.1	175.3	178.1	30.9	0	0	0	111.1	G406	D404-G406 PolarHBondContact OD1-N 2.99Å
405	S	25.9	Very low	24.7	Very low	117 Å²	117	144.8 Å²	144.8	82%	0.818	79%	0.793	S	S	*	*			trans	-166.4	83	168.5	-79.5	0	0	0	0	109.6
406	G	21.3	Very low	24.9	Very low	55 Å²	55	144.6 Å²	144.6	57%	0.567	80%	0.797	S	S	*	*			trans	-80.4	-166.6	178.4	0	0	0	0	0	115.9	D404	D404-G406 PolarHBondContact OD1-N 2.99Å
407	S	24.3	Very low	24.9	Very low	126 Å²	126	149.6 Å²	149.6	88%	0.881	81%	0.805	S	S	*	*			trans	76.9	149.1	-172.8	87.7	0	0	0	0	115
408	S	26.3	Very low	25	Very low	103 Å²	103	146.5 Å²	146.5	72%	0.72	81%	0.807	S	S	*	*			cis	-140.8	159.1	-1.8	-165.5	0	0	0	0	112.1
409	K	25.1	Very low	25.1	Very low	195 Å²	195	144 Å²	144	85%	0.848	81%	0.805	S	S	*	*			trans	-93.1	131.3	-179.3	-63.3	169.4	-177.9	169.1	0	110.6
410	Y	25.8	Very low	25.3	Very low	230 Å²	230	144.7 Å²	144.7	90%	0.902	81%	0.805	S	S	*	*			trans	-129.5	119.7	155.3	-89.2	-71.8	0	0	0	112.8
411	K	25.1	Very low	25.7	Very low	173 Å²	173	148.9 Å²	148.9	75%	0.752	82%	0.819	S	S	*	*			trans	-107.4	120.3	178.7	169.3	-172.6	174.5	-176.8	0	108.3
412	K	26.5	Very low	26	Very low	208 Å²	208	144.5 Å²	144.5	90%	0.904	81%	0.812	S	S	*	*			trans	-134.5	122.1	161.2	-87.7	-173.2	174.3	177	0	110.5
413	Q	25.2	Very low	26.6	Very low	170 Å²	170	145.1 Å²	145.1	79%	0.794	82%	0.822	S	S	*	*			trans	-83.7	146.9	163.4	-69.3	165.1	-70.9	0	0	108.4
414	G	25	Very low	26.8	Very low	77 Å²	77	142.7 Å²	142.7	79%	0.794	82%	0.817	S	S	*	*			trans	-151.4	106.3	171.8	0	0	0	0	0	109.3
415	V	27	Very low	27.4	Very low	135 Å²	135	145.5 Å²	145.5	82%	0.818	82%	0.822	S	S	*	*			trans	-100.1	119.6	180	175.5	0	0	0	0	109.2
416	S	27.4	Very low	27.7	Very low	122 Å²	122	145.8 Å²	145.8	85%	0.853	82%	0.822	S	S	*	*			trans	-137.3	119.3	168.7	-69	0	0	0	0	109.6
417	K	27.2	Very low	28.7	Very low	213 Å²	213	152.2 Å²	152.2	93%	0.926	83%	0.834	S	S	*	*			trans	-82.4	134.8	171.9	-72.3	-179.3	176.9	178.2	0	109.7
418	G	26.1	Very low	30	Very low	76 Å²	76	150.4 Å²	150.4	78%	0.784	82%	0.818	S	S	*	*			trans	-151.4	100.2	169.1	0	0	0	0	0	110.5
419	S	27.7	Very low	31.4	Very low	121 Å²	121	149.4 Å²	149.4	85%	0.846	81%	0.809	S	S	*	*			trans	-85.8	123.8	-177.4	59.6	0	0	0	0	111.9
420	K	28.1	Very low	33.8	Very low	199 Å²	199	141.8 Å²	141.8	87%	0.865	78%	0.776	S	S	*	*			trans	-133.7	118.2	156.1	-73.6	-168.7	175.4	-178.5	0	109.4	N422	K420-N422 PolarHBondContact O-N 3.5Å
421	L	32.8	Very low	36.4	Very low	177 Å²	177	135.1 Å²	135.1	93%	0.927	76%	0.762	S	S	*	*			trans	-91	96.6	-178.5	-175.6	75.9	0	0	0	109.2
422	N	27.9	Very low	39.2	Very low	147 Å²	147	127.8 Å²	127.8	79%	0.786	73%	0.732	S	S	*	*			trans	-108.7	122.8	172.7	-79.3	0.5	0	0	0	110	K420 A424	K420-N422 PolarHBondContact O-N 3.5Å; N422-A424 PolarHBondContact O-N 2.85Å
423	S	36.5	Very low	41.9	Very low	127 Å²	127	120 Å²	120	89%	0.888	70%	0.703	S	S	*	*			trans	-78.8	78.8	-177.4	58.1	0	0	0	0	112.3
424	A	29.8	Very low	44.6	Very low	91 Å²	91	120.8 Å²	120.8	75%	0.752	70%	0.704	S	S	*	*			trans	-71.3	135.9	168.5	0	0	0	0	0	110.8	N422	N422-A424 PolarHBondContact O-N 2.85Å
425	K	33.8	Very low	47.6	Very low	193 Å²	193	123.8 Å²	123.8	84%	0.839	70%	0.701	S	S	*	*			trans	-66.1	136.2	166.8	-66.7	-179.3	179.3	180	0	108.7	K427	K425-K427 PolarHBondContact O-N 3.44Å
426	P	32.9	Very low	50.5	Low	124 Å²	124	119.8 Å²	119.8	81%	0.805	68%	0.675	S	S	*	*			trans	-71.8	93.6	-179.6	29.2	-34.4	0	0	0	111	T428	P426-T428 PolarHBondContact O-N 2.91Å
427	K	43.3	Very low	53.3	Low	189 Å²	189	116.6 Å²	116.6	82%	0.822	65%	0.648	S	S	*	*			trans	-69.3	109.4	156.9	-76	-171.8	176.6	-175	0	107.2	K425 C429	K425-K427 PolarHBondContact O-N 3.44Å; K427-C429 PolarHBondContact O-N 2.9Å
428	T	50.7	Low	56.3	Low	89 Å²	89	109.3 Å²	109.3	55%	0.546	62%	0.62	S	S	.	*			trans	-72.6	89.6	175.7	51.3	0	0	0	0	110.2	P426 R430	P426-T428 PolarHBondContact O-N 2.91Å; T428-R430 PolarHBondContact O-N 2.96Å
429	C	55.1	Low	59.2	Low	81 Å²	81	107.1 Å²	107.1	55%	0.547	59%	0.594	S	S	.	*			trans	-57.4	130.5	166.9	175.4	0	0	0	0	109.8	L101 K427	L101-C429 HydrophobicContact CD2-CB 4.06Å; L101-C429 WeakPolarHBondContact CD2-SG 3.47Å; K427-C429 PolarHBondContact O-N 2.9Å
430	R	76.1	Confident	62.2	Low	36 Å²	36	106.4 Å²	106.4	14%	0.136	58%	0.581	C	S	.	*			trans	-115.5	88.4	173.3	-70.6	-175	178.4	79	14.5	108.9	F104 N105 F163 E166 T428	F104-R430 HydrophobicContact CB-CB 4.46Å; F104-R430 HydrophobicContact CD2-CB 4.12Å; F104-R430 WeakPolarHBondContact CD2-O 3.14Å; N105-R430 PolarHBondContact OD1-NH1 3Å; F163-R430 HydrophobicContact CE1-CB 3.99Å; F163-R430 HydrophobicContact CZ-CB 4.08Å; E166-R430 IonicContact OE2-CZ 3.9Å; E166-R430 VanDerWaalsContact OE2-CZ 3.24Å; E166-R430 IonicContact OE2-NE 3.9Å; E166-R430 PolarHBondContact OE2-NE 3.3Å; E166-R430 IonicContact OE2-NH2 3.2Å; E166-R430 PolarHBondContact OE2-NH2 3.12Å; T428-R430 PolarHBondContact O-N 2.96Å
431	S	79.6	Confident	65.2	Low	89 Å²	89	99.4 Å²	99.4	62%	0.622	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-85.4	134.5	171.8	55.1	0	0	0	0	110.6
432	V	84.4	Confident	68.2	Low	19 Å²	19	91 Å²	91	12%	0.115	51%	0.508	C	S	.	.	P	Polyproline II helix	trans	-69.8	134.1	171.1	-176.1	0	0	0	0	109.7	F104 W162 F163 K434 L437	F104-V432 HydrophobicContact CE1-CG2 4.38Å; F104-V432 HydrophobicContact CE2-CG2 3.76Å; F104-V432 HydrophobicContact CZ-CG2 3.4Å; F104-V432 VanDerWaalsContact CZ-CG2 3.4Å; W162-V432 HydrophobicContact CB-CG1 4.03Å; W162-V432 HydrophobicContact CD2-CG1 3.64Å; W162-V432 HydrophobicContact CD2-CG2 3.99Å; W162-V432 HydrophobicContact CE3-CG1 4.17Å; W162-V432 HydrophobicContact CE3-CG2 3.63Å; W162-V432 HydrophobicContact CG-CG1 3.56Å; W162-V432 HydrophobicContact CG-CG2 4.42Å; W162-V432 HydrophobicContact CZ3-CG2 4.06Å; F163-V432 HydrophobicContact CE2-CG2 4.23Å; F163-V432 HydrophobicContact CZ-CG2 3.91Å; V432-K434 PolarHBondContact O-N 3.13Å; V432-L437 HydrophobicContact CB-CD2 4.12Å; V432-L437 HydrophobicContact CG1-CD2 3.56Å; V432-L437 HydrophobicContact CG1-CG 4.08Å
433	P	82.9	Confident	71.4	Confident	45 Å²	45	87.1 Å²	87.1	29%	0.292	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-62.8	128.7	172	-22.1	34.8	0	0	0	111.1	D435 L436	P433-D435 WeakPolarHBondContact CB-OD1 3.38Å; P433-D435 PolarHBondContact O-N 2.99Å; P433-L436 HydrophobicContact CB-CB 4.47Å; P433-L436 HydrophobicContact CB-CD1 4Å; P433-L436 HydrophobicContact CB-CG 4.09Å; P433-L436 HydrophobicContact CG-CD1 3.9Å; P433-L436 PolarHBondContact O-N 2.86Å
434	K	83.4	Confident	74.4	Confident	187 Å²	187	81.1 Å²	81.1	81%	0.813	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-64.2	-26.5	-173.3	-67.7	-166.8	174.5	-164.7	0	113.5	V432 L436	V432-K434 PolarHBondContact O-N 3.13Å; K434-L436 PolarHBondContact O-N 3.4Å
435	D	86.7	Confident	77.5	Confident	139 Å²	139	78.9 Å²	78.9	74%	0.743	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-71.5	-12.1	174.1	53.4	-62.3	0	0	0	114.1	P433	P433-D435 WeakPolarHBondContact CB-OD1 3.38Å; P433-D435 PolarHBondContact O-N 2.99Å
436	L	87.6	Confident	80.5	Confident	52 Å²	52	72.6 Å²	72.6	27%	0.272	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-109.4	1.2	177.9	-56.9	179.7	0	0	0	113.5	W162 P433 K434 D438	W162-L436 PolarHBondContact NE1-O 2.86Å; W162-L436 VanDerWaalsContact NE1-O 3.08Å; P433-L436 HydrophobicContact CB-CB 4.47Å; P433-L436 HydrophobicContact CB-CD1 4Å; P433-L436 HydrophobicContact CB-CG 4.09Å; P433-L436 HydrophobicContact CG-CD1 3.9Å; P433-L436 PolarHBondContact O-N 2.86Å; K434-L436 PolarHBondContact O-N 3.4Å; L436-D438 PolarHBondContact O-N 3.29Å
437	L	87.7	Confident	83.5	Confident	55 Å²	55	68.3 Å²	68.3	29%	0.288	37%	0.37	S	S	.	.			trans	-78.4	113.5	174.1	-68.7	175.2	0	0	0	109.7	W162 V432 L507 F508	W162-L437 HydrophobicContact CZ2-CD2 4.19Å; V432-L437 HydrophobicContact CB-CD2 4.12Å; V432-L437 HydrophobicContact CG1-CD2 3.56Å; V432-L437 HydrophobicContact CG1-CG 4.08Å; L437-L507 HydrophobicContact CD2-CB 4.37Å; L437-L507 HydrophobicContact CD2-CD1 3.9Å; L437-L507 HydrophobicContact CD2-CD2 4.21Å; L437-L507 HydrophobicContact CD2-CG 4.39Å; L437-F508 HydrophobicContact CB-CZ 4.17Å; L437-F508 HydrophobicContact CD2-CZ 4.29Å
438	D	88.9	Confident	86	Confident	60 Å²	60	65.3 Å²	65.3	32%	0.321	36%	0.361	S	S	.	.			trans	-136.2	122.9	175.3	-174.2	-5.2	0	0	0	109.2	L436 N440 D441	L436-D438 PolarHBondContact O-N 3.29Å; D438-N440 PolarHBondContact O-N 3.29Å; D438-N440 VanDerWaalsContact OD1-CB 3.31Å; D438-N440 WeakPolarHBondContact OD1-CB 3.44Å; D438-N440 PolarHBondContact OD1-N 3.04Å; D438-N440 PolarHBondContact OD1-ND2 3.01Å; D438-D441 WeakPolarHBondContact O-CB 3.31Å; D438-D441 PolarHBondContact O-N 2.84Å; D438-D441 VanDerWaalsContact O-N 3.09Å
439	A	88.3	Confident	88.1	Confident	29 Å²	29	66 Å²	66	24%	0.24	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-61.2	-24.6	177.6	0	0	0	0	0	111.9	D441 L442 F508	A439-D441 PolarHBondContact O-N 2.96Å; A439-L442 PolarHBondContact O-N 2.76Å; A439-F508 HydrophobicContact CB-CD1 3.85Å; A439-F508 HydrophobicContact CB-CE1 3.88Å
440	N	90.1	Very high	90.1	Very high	107 Å²	107	63 Å²	63	57%	0.572	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-62.8	-26.6	176.1	-62.2	-66.7	0	0	0	112.9	D438 L442	D438-N440 PolarHBondContact O-N 3.29Å; D438-N440 VanDerWaalsContact OD1-CB 3.31Å; D438-N440 WeakPolarHBondContact OD1-CB 3.44Å; D438-N440 PolarHBondContact OD1-N 3.04Å; D438-N440 PolarHBondContact OD1-ND2 3.01Å; N440-L442 PolarHBondContact O-N 2.62Å
441	D	91.6	Very high	91.1	Very high	51 Å²	51	61.6 Å²	61.6	27%	0.273	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-67.8	-19.1	175.6	-57.9	-41.4	0	0	0	112.6	L158 K161 D438 A439	L158-D441 HydrophobicContact CD2-CB 3.49Å; L158-D441 VanDerWaalsContact CD2-CB 3.49Å; K161-D441 WeakPolarHBondContact CD-OD2 3.37Å; K161-D441 WeakPolarHBondContact CE-OD2 3.34Å; K161-D441 IonicContact NZ-OD1 3.26Å; K161-D441 PolarHBondContact NZ-OD1 3.26Å; K161-D441 IonicContact NZ-OD2 2.72Å; K161-D441 PolarHBondContact NZ-OD2 3.42Å; D438-D441 WeakPolarHBondContact O-CB 3.31Å; D438-D441 PolarHBondContact O-N 2.84Å; D438-D441 VanDerWaalsContact O-N 3.09Å; A439-D441 PolarHBondContact O-N 2.96Å
442	L	94.8	Very high	91.9	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-111.9	26.5	-175.1	-73.9	163.6	0	0	0	112.1	L158 A439 N440 L450 F451 L500 I504 F508	L158-L442 HydrophobicContact CD1-CD2 3.69Å; L158-L442 HydrophobicContact CD1-CG 4.43Å; L158-L442 HydrophobicContact CD2-CD2 4.37Å; L158-L442 HydrophobicContact CD2-CG 4.22Å; A439-L442 PolarHBondContact O-N 2.76Å; N440-L442 PolarHBondContact O-N 2.62Å; L442-L450 HydrophobicContact CB-CD1 3.72Å; L442-F451 VanDerWaalsContact C-CD2 3.42Å; L442-F451 HydrophobicContact CB-CD2 4.26Å; L442-F451 HydrophobicContact CD2-CD2 4.22Å; L442-F451 WeakPolarHBondContact O-CD2 3.46Å; L442-F451 WeakPolarHBondContact O-CG 3.4Å; L442-F451 PolarHBondContact O-N 3.42Å; L442-L500 HydrophobicContact CD2-CD2 3.74Å; L442-I504 HydrophobicContact CD1-CG1 3.99Å; L442-I504 HydrophobicContact CD2-CD1 4.45Å; L442-I504 HydrophobicContact CD2-CG1 4.07Å; L442-I504 HydrophobicContact CG-CG1 4.43Å; L442-F508 HydrophobicContact CD1-CD2 3.64Å; L442-F508 HydrophobicContact CD1-CE2 3.48Å; L442-F508 VanDerWaalsContact CD1-CE2 3.48Å
443	E	95.9	Very high	92.5	Very high	67 Å²	67	60.2 Å²	60.2	31%	0.313	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-84.4	141.9	174.2	-71.6	-150.1	136.5	0	0	114.8	S445 M448 R449 F451	E443-S445 PolarHBondContact O-N 3.15Å; E443-M448 VanDerWaalsContact OE1-C 3.31Å; E443-R449 WeakPolarHBondContact CA-O 3.38Å; E443-R449 WeakPolarHBondContact OE1-CA 3.24Å; E443-R449 PolarHBondContact OE1-N 3.25Å; E443-F451 VanDerWaalsContact O-CZ 3.31Å; E443-F451 WeakPolarHBondContact O-CZ 3.35Å
444	C	97.8	Very high	93.2	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.294	C	S	.	.			trans	-80	110.9	167.6	179	0	0	0	0	111.1	L446 C447 M448 R449 F451 C464	C444-L446 PolarHBondContact O-N 2.92Å; C444-C447 PolarHBondContact O-N 2.75Å; C444-M448 PolarHBondContact O-N 2.75Å; C444-R449 PolarHBondContact N-O 3.49Å; C444-F451 HydrophobicContact CB-CD1 3.66Å; C444-F451 HydrophobicContact CB-CE1 3.69Å; C444-C464 HydrophobicContact CB-CB 4.46Å; C444-C464 WeakPolarHBondContact CB-SG 3.28Å; C444-C464 PolarHBondContact SG-N 3.37Å
445	S	96.4	Very high	93.9	Very high	45 Å²	45	49.2 Å²	49.2	32%	0.315	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-5.1	174.1	59.8	0	0	0	0	117.3	E443 M448	E443-S445 PolarHBondContact O-N 3.15Å; S445-M448 VanDerWaalsContact O-CE 3.25Å; S445-M448 WeakPolarHBondContact O-CE 3.32Å
446	L	96.8	Very high	94.4	Very high	61 Å²	61	43.2 Å²	43.2	32%	0.319	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-25	174.3	-65.2	174.4	0	0	0	114.1	C444 F463 C467 P479	C444-L446 PolarHBondContact O-N 2.92Å; L446-F463 HydrophobicContact CD1-CB 4.15Å; L446-F463 HydrophobicContact CD1-CD1 3.43Å; L446-F463 VanDerWaalsContact CD1-CD1 3.43Å; L446-F463 HydrophobicContact CD1-CE1 4.07Å; L446-F463 HydrophobicContact CD1-CG 3.95Å; L446-F463 HydrophobicContact CG-CD1 3.66Å; L446-F463 HydrophobicContact CG-CE1 4.04Å; L446-C467 HydrophobicContact CB-CB 3.9Å; L446-C467 HydrophobicContact CD1-CB 3.7Å; L446-C467 HydrophobicContact CG-CB 4.47Å; L446-P479 HydrophobicContact CD1-CG 4.23Å; L446-P479 HydrophobicContact CD2-CB 3.73Å; L446-P479 HydrophobicContact CD2-CG 4.02Å
447	C	95.4	Very high	94.8	Very high	34 Å²	34	40.9 Å²	40.9	23%	0.23	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125	-9.3	-178.2	65.7	0	0	0	0	114.7	C444 R449	C444-C447 PolarHBondContact O-N 2.75Å; C447-R449 PolarHBondContact O-N 3.3Å
448	M	95.7	Very high	95.1	Very high	126 Å²	126	41.6 Å²	41.6	62%	0.621	22%	0.22	S	C	*	.	S	Bend	trans	49.5	58.3	-176.8	-44.9	-49	-177.8	0	0	110.9	E443 C444 S445	E443-M448 VanDerWaalsContact OE1-C 3.31Å; C444-M448 PolarHBondContact O-N 2.75Å; S445-M448 VanDerWaalsContact O-CE 3.25Å; S445-M448 WeakPolarHBondContact O-CE 3.32Å
449	R	95.4	Very high	95.4	Very high	104 Å²	104	39.1 Å²	39.1	39%	0.392	21%	0.207	S	C	.	.	S	Bend	trans	-150.6	157.9	174.4	-54.9	-176.9	-164.6	168.2	4.2	107.4	E443 C444 C447 F451 E522	E443-R449 WeakPolarHBondContact CA-O 3.38Å; E443-R449 WeakPolarHBondContact OE1-CA 3.24Å; E443-R449 PolarHBondContact OE1-N 3.25Å; C444-R449 PolarHBondContact N-O 3.49Å; C447-R449 PolarHBondContact O-N 3.3Å; R449-F451 PolarHBondContact O-N 2.81Å; R449-E522 IonicContact CZ-OE1 2.63Å; R449-E522 IonicContact NH1-OE1 2.81Å; R449-E522 PolarHBondContact NH1-OE1 3.24Å; R449-E522 IonicContact NH2-OE1 2.72Å
450	L	96.7	Very high	95.7	Very high	16 Å²	16	37.7 Å²	37.7	8%	0.084	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-43.1	136.7	167.2	-174.4	67.4	0	0	0	112.2	L442 Y452 I504 F508 E511	L442-L450 HydrophobicContact CB-CD1 3.72Å; L450-Y452 PolarHBondContact O-N 3.36Å; L450-I504 HydrophobicContact CD1-CG1 4.5Å; L450-I504 HydrophobicContact CD1-CG2 4.19Å; L450-I504 HydrophobicContact CD2-CG2 3.95Å; L450-I504 HydrophobicContact CG-CG2 4.14Å; L450-F508 HydrophobicContact CD2-CB 4.47Å; L450-E511 HydrophobicContact CD2-CB 3.66Å
451	F	97.6	Very high	96	Very high	7 Å²	7	34.3 Å²	34.3	3%	0.031	18%	0.176	C	C	.	.			trans	-53.6	135.6	176.8	-79.6	-58.8	0	0	0	112	L442 E443 C444 R449 P454 T462 I504	L442-F451 VanDerWaalsContact C-CD2 3.42Å; L442-F451 HydrophobicContact CB-CD2 4.26Å; L442-F451 HydrophobicContact CD2-CD2 4.22Å; L442-F451 WeakPolarHBondContact O-CD2 3.46Å; L442-F451 WeakPolarHBondContact O-CG 3.4Å; L442-F451 PolarHBondContact O-N 3.42Å; E443-F451 VanDerWaalsContact O-CZ 3.31Å; E443-F451 WeakPolarHBondContact O-CZ 3.35Å; C444-F451 HydrophobicContact CB-CD1 3.66Å; C444-F451 HydrophobicContact CB-CE1 3.69Å; R449-F451 PolarHBondContact O-N 2.81Å; F451-P454 HydrophobicContact CB-CB 4.05Å; F451-P454 HydrophobicContact CD1-CB 4.3Å; F451-P454 HydrophobicContact CG-CB 4.15Å; F451-T462 HydrophobicContact CD1-CG2 4.41Å; F451-T462 HydrophobicContact CE1-CG2 3.93Å; F451-T462 HydrophobicContact CZ-CG2 4Å; F451-I504 HydrophobicContact CB-CD1 3.57Å
452	Y	96.3	Very high	96.3	Very high	28 Å²	28	32.3 Å²	32.3	11%	0.11	17%	0.166	C	C	.	.	S	Bend	trans	-133.5	123.8	174	-172.8	-93.7	0	0	0	109	L450 C464 Y512 R515 T516 H519	L450-Y452 PolarHBondContact O-N 3.36Å; Y452-C464 PolarHBondContact N-SG 3.34Å; Y452-C464 WeakPolarHBondContact O-CA 3.3Å; Y452-C464 VanDerWaalsContact O-CB 3.24Å; Y452-C464 WeakPolarHBondContact O-CB 3.38Å; Y452-Y512 AromaticContact CD2-CE2 4Å; Y452-Y512 HydrophobicContact CD2-CE2 4Å; Y452-Y512 HydrophobicContact CE2-CE2 4.13Å; Y452-R515 HydrophobicContact CD2-CG 3.82Å; Y452-R515 HydrophobicContact CG-CG 4.13Å; Y452-T516 HydrophobicContact CE2-CG2 4.37Å; Y452-T516 WeakPolarHBondContact CE2-OG1 3.38Å; Y452-H519 HydrophobicContact CE1-CB 4.14Å; Y452-H519 AromaticContact CE1-CD2 3.25Å; Y452-H519 WeakPolarHBondContact CE1-CD2 3.47Å; Y452-H519 AromaticContact CE1-CG 3.76Å; Y452-H519 AromaticContact CE1-NE2 3.97Å; Y452-H519 AromaticContact CZ-CD2 3.69Å
453	E	96.8	Very high	96.5	Very high	51 Å²	51	32.3 Å²	32.3	24%	0.238	17%	0.166	C	C	.	.	S	Bend	trans	44.1	66.5	-161.5	-64.9	-168.5	107.6	0	0	111.1	V455 K465 V496	E453-V455 PolarHBondContact O-N 3.45Å; E453-K465 HydrophobicContact CB-CB 3.87Å; E453-K465 HydrophobicContact CB-CD 4.05Å; E453-K465 HydrophobicContact CG-CD 4.46Å; E453-K465 WeakPolarHBondContact O-CB 3.45Å; E453-K465 PolarHBondContact O-N 3Å; E453-K465 IonicContact OE1-NZ 3.55Å; E453-K465 PolarHBondContact OE1-NZ 3.23Å; E453-K465 WeakPolarHBondContact OE2-CD 3.47Å; E453-K465 IonicContact OE2-NZ 3.05Å; E453-K465 PolarHBondContact OE2-NZ 3.25Å; E453-V496 HydrophobicContact CB-CG2 3.91Å; E453-V496 HydrophobicContact CG-CG2 4.27Å
454	P	97.9	Very high	96.6	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	122.9	-179.1	23.9	-32.7	0	0	0	111	F451 T462 F463 V496 T497 L500 D501 I504	F451-P454 HydrophobicContact CB-CB 4.05Å; F451-P454 HydrophobicContact CD1-CB 4.3Å; F451-P454 HydrophobicContact CG-CB 4.15Å; P454-T462 HydrophobicContact CB-CG2 3.96Å; P454-F463 CarbonylContact C-O 3.55Å; P454-F463 WeakPolarHBondContact CA-O 3.28Å; P454-V496 HydrophobicContact CG-CG1 4.26Å; P454-V496 CarbonylContact O-C 3.57Å; P454-V496 WeakPolarHBondContact O-CA 3.47Å; P454-T497 PolarHBondContact O-N 3.01Å; P454-T497 PolarHBondContact O-OG1 3.18Å; P454-L500 HydrophobicContact CB-CB 4.13Å; P454-L500 HydrophobicContact CB-CD1 4.42Å; P454-L500 HydrophobicContact CG-CB 3.88Å; P454-D501 HydrophobicContact CG-CB 4.12Å; P454-I504 HydrophobicContact CG-CD1 4.06Å
455	V	97.7	Very high	96.5	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	128.9	174.9	-58.7	0	0	0	0	109.8	E453 T462 F463 K465 L468 I495	E453-V455 PolarHBondContact O-N 3.45Å; V455-T462 WeakPolarHBondContact O-CA 3.34Å; V455-F463 PolarHBondContact N-O 2.92Å; V455-F463 PolarHBondContact O-N 3.29Å; V455-K465 HydrophobicContact CG1-CB 3.79Å; V455-K465 HydrophobicContact CG1-CG 4.18Å; V455-K465 HydrophobicContact CG2-CB 4.37Å; V455-L468 HydrophobicContact CG2-CB 4.29Å; V455-L468 HydrophobicContact CG2-CD2 3.75Å; V455-I495 WeakPolarHBondContact CG1-O 3.32Å
456	T	96.8	Very high	96.4	Very high	13 Å²	13	31.3 Å²	31.3	8%	0.08	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	127.4	175.8	-59.7	0	0	0	0	109.6	N152 H461 T462 Y488 T497	N152-T456 HydrophobicContact CB-CG2 4.19Å; N152-T456 PolarHBondContact ND2-OG1 3.08Å; T456-H461 WeakPolarHBondContact CA-O 3.28Å; T456-T462 PolarHBondContact OG1-OG1 3.46Å; T456-Y488 PolarHBondContact O-OH 3.44Å; T456-T497 WeakPolarHBondContact CB-OG1 3.48Å; T456-T497 PolarHBondContact N-OG1 2.73Å; T456-T497 VanDerWaalsContact N-OG1 3.13Å; T456-T497 PolarHBondContact OG1-OG1 2.88Å
457	T	95.8	Very high	96.3	Very high	4 Å²	4	29.3 Å²	29.3	3%	0.025	15%	0.148	C	C	.	.			trans	-75.5	159.3	175.9	56.5	0	0	0	0	111.1	C459 G460 H461 F463 L468 L485 Y488	T457-C459 PolarHBondContact O-N 3.37Å; T457-C459 PolarHBondContact OG1-SG 2.63Å; T457-G460 PolarHBondContact O-N 3.45Å; T457-H461 PolarHBondContact N-O 3.49Å; T457-H461 PolarHBondContact OG1-N 3.09Å; T457-H461 PolarHBondContact OG1-O 3.23Å; T457-F463 HydrophobicContact CG2-CD2 4.08Å; T457-F463 HydrophobicContact CG2-CE2 4.02Å; T457-L468 HydrophobicContact CG2-CD1 4.09Å; T457-L468 HydrophobicContact CG2-CD2 3.6Å; T457-L485 HydrophobicContact CG2-CD1 3.77Å; T457-L485 HydrophobicContact CG2-CD2 4.32Å; T457-Y488 HydrophobicContact CG2-CD1 4.5Å; T457-Y488 HydrophobicContact CG2-CE1 4.15Å
458	P	94.1	Very high	96.4	Very high	69 Å²	69	27.7 Å²	27.7	45%	0.448	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-27.8	174.3	-29.2	36.1	0	0	0	114.5	K150 G460 Y488	K150-P458 PolarHBondContact N-O 3.21Å; P458-G460 PolarHBondContact O-N 3.01Å; P458-Y488 HydrophobicContact CG-CD2 4.1Å; P458-Y488 HydrophobicContact CG-CG 4.17Å
459	C	94.9	Very high	96.2	Very high	8 Å²	8	22.8 Å²	22.8	5%	0.054	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	12.6	174.1	68.3	0	0	0	0	114.8	T457 H461 C478 E483	T457-C459 PolarHBondContact O-N 3.37Å; T457-C459 PolarHBondContact OG1-SG 2.63Å; C459-H461 PolarHBondContact O-N 2.93Å; C459-H461 PolarHBondContact O-ND1 3.27Å; C459-C478 VanDerWaalsContact SG-CB 3.54Å; C459-E483 HydrophobicContact CB-CB 4.13Å; C459-E483 HydrophobicContact CB-CG 4.18Å; C459-E483 WeakPolarHBondContact CB-OE2 3.26Å
460	G	95.5	Very high	96	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	81	1	174.7	0	0	0	0	0	116	A151 N152 V153 T457 P458	A151-G460 VanDerWaalsContact O-CA 3.32Å; A151-G460 WeakPolarHBondContact O-CA 3.32Å; N152-G460 CarbonylContact C-O 3.58Å; N152-G460 WeakPolarHBondContact CA-O 3.46Å; V153-G460 PolarHBondContact N-O 2.69Å; T457-G460 PolarHBondContact O-N 3.45Å; P458-G460 PolarHBondContact O-N 3.01Å
461	H	97.3	Very high	95.8	Very high	36 Å²	36	23 Å²	23	17%	0.167	12%	0.117	C	C	.	.			trans	-94.4	138.3	-176	-67.1	82.3	0	0	0	111.6	T456 T457 C459 F463 L480	T456-H461 WeakPolarHBondContact CA-O 3.28Å; T457-H461 PolarHBondContact N-O 3.49Å; T457-H461 PolarHBondContact OG1-N 3.09Å; T457-H461 PolarHBondContact OG1-O 3.23Å; C459-H461 PolarHBondContact O-N 2.93Å; C459-H461 PolarHBondContact O-ND1 3.27Å; H461-F463 HydrophobicContact CB-CE2 3.74Å; H461-F463 HydrophobicContact CB-CZ 3.91Å; H461-L480 HydrophobicContact CB-CD1 4.32Å
462	T	98.1	Very high	95.6	Very high	9 Å²	9	22.7 Å²	22.7	6%	0.055	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	139.9	-174.9	-52.7	0	0	0	0	112.3	N152 F451 P454 V455 T456 L500	N152-T462 PolarHBondContact OD1-OG1 2.93Å; F451-T462 HydrophobicContact CD1-CG2 4.41Å; F451-T462 HydrophobicContact CE1-CG2 3.93Å; F451-T462 HydrophobicContact CZ-CG2 4Å; P454-T462 HydrophobicContact CB-CG2 3.96Å; V455-T462 WeakPolarHBondContact O-CA 3.34Å; T456-T462 PolarHBondContact OG1-OG1 3.46Å; T462-L500 HydrophobicContact CG2-CD1 3.66Å
463	F	98.4	Very high	95.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	160.2	-178.5	-55.9	-75.5	0	0	0	110	L446 P454 V455 T457 H461 K465 L468 P479 L480	L446-F463 HydrophobicContact CD1-CB 4.15Å; L446-F463 HydrophobicContact CD1-CD1 3.43Å; L446-F463 VanDerWaalsContact CD1-CD1 3.43Å; L446-F463 HydrophobicContact CD1-CE1 4.07Å; L446-F463 HydrophobicContact CD1-CG 3.95Å; L446-F463 HydrophobicContact CG-CD1 3.66Å; L446-F463 HydrophobicContact CG-CE1 4.04Å; P454-F463 CarbonylContact C-O 3.55Å; P454-F463 WeakPolarHBondContact CA-O 3.28Å; V455-F463 PolarHBondContact N-O 2.92Å; V455-F463 PolarHBondContact O-N 3.29Å; T457-F463 HydrophobicContact CG2-CD2 4.08Å; T457-F463 HydrophobicContact CG2-CE2 4.02Å; H461-F463 HydrophobicContact CB-CE2 3.74Å; H461-F463 HydrophobicContact CB-CZ 3.91Å; F463-K465 PolarHBondContact O-N 2.82Å; F463-L468 HydrophobicContact CB-CB 3.93Å; F463-L468 HydrophobicContact CD2-CB 4.41Å; F463-L468 HydrophobicContact CD2-CD1 3.89Å; F463-L468 HydrophobicContact CD2-CD2 4.4Å; F463-L468 HydrophobicContact CD2-CG 4.46Å; F463-L468 HydrophobicContact CE2-CD1 4.27Å; F463-L468 HydrophobicContact CG-CB 4.39Å; F463-L468 HydrophobicContact CG-CD1 4.5Å; F463-P479 HydrophobicContact CE1-CB 4.2Å; F463-P479 HydrophobicContact CE1-CG 4.24Å; F463-P479 HydrophobicContact CZ-CB 4.21Å; F463-P479 HydrophobicContact CZ-CG 4.11Å; F463-L480 HydrophobicContact CE1-CD1 3.82Å; F463-L480 HydrophobicContact CE1-CG 3.93Å; F463-L480 HydrophobicContact CZ-CB 4.48Å; F463-L480 HydrophobicContact CZ-CD1 3.8Å; F463-L480 HydrophobicContact CZ-CG 3.88Å
464	C	97.8	Very high	94.9	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.014	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	133.1	159.3	-56.4	0	0	0	0	108.9	C444 Y452 N466 C467 L468	C444-C464 HydrophobicContact CB-CB 4.46Å; C444-C464 WeakPolarHBondContact CB-SG 3.28Å; C444-C464 PolarHBondContact SG-N 3.37Å; Y452-C464 PolarHBondContact N-SG 3.34Å; Y452-C464 WeakPolarHBondContact O-CA 3.3Å; Y452-C464 VanDerWaalsContact O-CB 3.24Å; Y452-C464 WeakPolarHBondContact O-CB 3.38Å; C464-N466 PolarHBondContact O-N 2.87Å; C464-C467 HydrophobicContact CB-CB 4.05Å; C464-C467 WeakPolarHBondContact O-CA 3.35Å; C464-C467 WeakPolarHBondContact O-CB 3.41Å; C464-C467 PolarHBondContact O-N 3.13Å; C464-L468 PolarHBondContact O-N 2.93Å
465	K	96.1	Very high	94.5	Very high	57 Å²	57	28 Å²	28	25%	0.248	15%	0.146	C	C	.	.	H	α-helix	trans	-41.5	-59.4	176.2	-178.2	-164	-176.5	-175.1	0	113	E453 V455 F463 C467 L468 E469	E453-K465 HydrophobicContact CB-CB 3.87Å; E453-K465 HydrophobicContact CB-CD 4.05Å; E453-K465 HydrophobicContact CG-CD 4.46Å; E453-K465 WeakPolarHBondContact O-CB 3.45Å; E453-K465 PolarHBondContact O-N 3Å; E453-K465 IonicContact OE1-NZ 3.55Å; E453-K465 PolarHBondContact OE1-NZ 3.23Å; E453-K465 WeakPolarHBondContact OE2-CD 3.47Å; E453-K465 IonicContact OE2-NZ 3.05Å; E453-K465 PolarHBondContact OE2-NZ 3.25Å; V455-K465 HydrophobicContact CG1-CB 3.79Å; V455-K465 HydrophobicContact CG1-CG 4.18Å; V455-K465 HydrophobicContact CG2-CB 4.37Å; F463-K465 PolarHBondContact O-N 2.82Å; K465-C467 PolarHBondContact O-N 3.13Å; K465-C467 VanDerWaalsContact O-N 3.12Å; K465-L468 PolarHBondContact O-N 2.88Å; K465-L468 VanDerWaalsContact O-N 3.13Å; K465-E469 WeakPolarHBondContact O-CG 3.3Å; K465-E469 PolarHBondContact O-N 3.42Å
466	N	93.3	Very high	94.3	Very high	31 Å²	31	29.9 Å²	29.9	17%	0.166	16%	0.158	C	C	.	.	H	α-helix	trans	-62.1	-21.4	-179.4	-67.4	-16.4	0	0	0	113.9	C464 R470 H519	C464-N466 PolarHBondContact O-N 2.87Å; N466-R470 WeakPolarHBondContact O-CD 3.37Å; N466-R470 WeakPolarHBondContact O-CG 3.41Å; N466-R470 PolarHBondContact O-NE 3.19Å; N466-H519 PolarHBondContact ND2-CE1 2.86Å
467	C	95.6	Very high	94.3	Very high	20 Å²	20	33.3 Å²	33.3	14%	0.135	17%	0.173	C	C	.	.	H	α-helix	trans	-84.2	-43.7	174.8	-64.2	0	0	0	0	111.3	L446 C464 K465 R470 C471	L446-C467 HydrophobicContact CB-CB 3.9Å; L446-C467 HydrophobicContact CD1-CB 3.7Å; L446-C467 HydrophobicContact CG-CB 4.47Å; C464-C467 HydrophobicContact CB-CB 4.05Å; C464-C467 WeakPolarHBondContact O-CA 3.35Å; C464-C467 WeakPolarHBondContact O-CB 3.41Å; C464-C467 PolarHBondContact O-N 3.13Å; K465-C467 PolarHBondContact O-N 3.13Å; K465-C467 VanDerWaalsContact O-N 3.12Å; C467-R470 PolarHBondContact O-N 3.21Å; C467-C471 PolarHBondContact O-N 3.36Å; C467-C471 VanDerWaalsContact O-N 3.16Å
468	L	96.2	Very high	94.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.1	-47.1	176	177.3	61.4	0	0	0	111.4	V455 T457 F463 C464 K465 R470 C471 L472 L485 Y488 Y494	V455-L468 HydrophobicContact CG2-CB 4.29Å; V455-L468 HydrophobicContact CG2-CD2 3.75Å; T457-L468 HydrophobicContact CG2-CD1 4.09Å; T457-L468 HydrophobicContact CG2-CD2 3.6Å; F463-L468 HydrophobicContact CB-CB 3.93Å; F463-L468 HydrophobicContact CD2-CB 4.41Å; F463-L468 HydrophobicContact CD2-CD1 3.89Å; F463-L468 HydrophobicContact CD2-CD2 4.4Å; F463-L468 HydrophobicContact CD2-CG 4.46Å; F463-L468 HydrophobicContact CE2-CD1 4.27Å; F463-L468 HydrophobicContact CG-CB 4.39Å; F463-L468 HydrophobicContact CG-CD1 4.5Å; C464-L468 PolarHBondContact O-N 2.93Å; K465-L468 PolarHBondContact O-N 2.88Å; K465-L468 VanDerWaalsContact O-N 3.13Å; L468-R470 VanDerWaalsContact C-N 3.29Å; L468-R470 PolarHBondContact O-N 3.05Å; L468-C471 WeakPolarHBondContact O-CA 3.05Å; L468-C471 WeakPolarHBondContact O-CB 3.41Å; L468-C471 PolarHBondContact O-N 3.22Å; L468-L472 HydrophobicContact CD1-CD1 4.18Å; L468-L472 HydrophobicContact CD1-CG 4.11Å; L468-L472 HydrophobicContact CD2-CD1 4.38Å; L468-L472 HydrophobicContact CG-CD1 3.9Å; L468-L472 HydrophobicContact CG-CG 4.25Å; L468-L472 WeakPolarHBondContact O-CG 3.39Å; L468-L472 PolarHBondContact O-N 3.04Å; L468-L485 HydrophobicContact CD1-CD1 4.25Å; L468-Y488 HydrophobicContact CD2-CE1 3.88Å; L468-Y494 HydrophobicContact CD2-CD1 4.49Å
469	E	92.9	Very high	94.4	Very high	23 Å²	23	31.1 Å²	31.1	11%	0.107	16%	0.158	C	C	.	.	H	α-helix	trans	-59.9	-39.6	178.4	-67.9	-173.5	121.5	0	0	112.2	K465 C471 L472 D473 Y494 R561	K465-E469 WeakPolarHBondContact O-CG 3.3Å; K465-E469 PolarHBondContact O-N 3.42Å; E469-C471 VanDerWaalsContact C-N 3.28Å; E469-C471 PolarHBondContact O-N 2.83Å; E469-L472 CarbonylContact O-C 3.55Å; E469-L472 PolarHBondContact O-N 2.88Å; E469-D473 PolarHBondContact O-N 3.36Å; E469-Y494 HydrophobicContact CG-CD2 3.65Å; E469-Y494 HydrophobicContact CG-CE2 3.58Å; E469-Y494 HydrophobicContact CG-CG 4.31Å; E469-Y494 VanDerWaalsContact OE1-CD2 3.29Å; E469-Y494 WeakPolarHBondContact OE1-CD2 3.26Å; E469-Y494 VanDerWaalsContact OE1-CE2 3.31Å; E469-Y494 WeakPolarHBondContact OE1-CE2 3.16Å; E469-R561 VanDerWaalsContact C-NH2 3.34Å; E469-R561 VanDerWaalsContact CB-CZ 3.46Å; E469-R561 VanDerWaalsContact CB-NH2 3.3Å; E469-R561 IonicContact OE2-CZ 2.68Å; E469-R561 IonicContact OE2-NH1 2.65Å; E469-R561 PolarHBondContact OE2-NH1 3.28Å
470	R	91.3	Very high	94.5	Very high	87 Å²	87	35 Å²	35	33%	0.328	18%	0.178	S	C	.	.	H	α-helix	trans	-59.9	-39	174.1	-76.3	173.9	-160.3	-158.9	10.4	111.3	N466 C467 L468 D473 H474 L558	N466-R470 WeakPolarHBondContact O-CD 3.37Å; N466-R470 WeakPolarHBondContact O-CG 3.41Å; N466-R470 PolarHBondContact O-NE 3.19Å; C467-R470 PolarHBondContact O-N 3.21Å; L468-R470 VanDerWaalsContact C-N 3.29Å; L468-R470 PolarHBondContact O-N 3.05Å; R470-D473 PolarHBondContact O-N 3.49Å; R470-H474 PolarHBondContact O-CD2 3.22Å; R470-L558 HydrophobicContact CG-CD1 3.83Å; R470-L558 HydrophobicContact CG-CD2 4.49Å
471	C	92.5	Very high	94.5	Very high	36 Å²	36	37.7 Å²	37.7	24%	0.243	20%	0.196	C	C	.	.	H	α-helix	trans	-67.6	-42.6	173.4	-66.5	0	0	0	0	112.5	C467 L468 E469 D473 H474 T475 P479	C467-C471 PolarHBondContact O-N 3.36Å; C467-C471 VanDerWaalsContact O-N 3.16Å; L468-C471 WeakPolarHBondContact O-CA 3.05Å; L468-C471 WeakPolarHBondContact O-CB 3.41Å; L468-C471 PolarHBondContact O-N 3.22Å; E469-C471 VanDerWaalsContact C-N 3.28Å; E469-C471 PolarHBondContact O-N 2.83Å; C471-D473 PolarHBondContact O-N 3.41Å; C471-H474 PolarHBondContact O-N 3.29Å; C471-T475 PolarHBondContact O-N 3.2Å; C471-P479 HydrophobicContact CB-CG 3.79Å
472	L	92.5	Very high	94.5	Very high	1 Å²	1	42 Å²	42	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-68.2	-17.6	178	-64.5	176.9	0	0	0	113.5	L468 E469 H474 T475 L485 L489 Y494 R557	L468-L472 HydrophobicContact CD1-CD1 4.18Å; L468-L472 HydrophobicContact CD1-CG 4.11Å; L468-L472 HydrophobicContact CD2-CD1 4.38Å; L468-L472 HydrophobicContact CG-CD1 3.9Å; L468-L472 HydrophobicContact CG-CG 4.25Å; L468-L472 WeakPolarHBondContact O-CG 3.39Å; L468-L472 PolarHBondContact O-N 3.04Å; E469-L472 CarbonylContact O-C 3.55Å; E469-L472 PolarHBondContact O-N 2.88Å; L472-H474 VanDerWaalsContact C-N 3.28Å; L472-T475 WeakPolarHBondContact CA-O 3.43Å; L472-L485 HydrophobicContact CD2-CB 3.85Å; L472-L485 HydrophobicContact CD2-CD1 3.99Å; L472-L489 HydrophobicContact CB-CD1 4.22Å; L472-Y494 HydrophobicContact CD1-CE1 3.63Å; L472-Y494 WeakPolarHBondContact CD1-OH 3.33Å; L472-R557 PolarHBondContact O-NH2 3.26Å
473	D	89.1	Confident	94.4	Very high	6 Å²	6	45.3 Å²	45.3	3%	0.032	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-23.8	168.3	-80.1	-43.4	0	0	0	113.5	E469 R470 C471 P554 R557 R561	E469-D473 PolarHBondContact O-N 3.36Å; R470-D473 PolarHBondContact O-N 3.49Å; C471-D473 PolarHBondContact O-N 3.41Å; D473-P554 WeakPolarHBondContact O-CA 3.48Å; D473-P554 WeakPolarHBondContact O-CB 3.45Å; D473-P554 WeakPolarHBondContact O-CG 3.49Å; D473-R557 WeakPolarHBondContact OD1-CB 3.49Å; D473-R557 IonicContact OD1-CZ 3.01Å; D473-R557 IonicContact OD1-NE 2.72Å; D473-R557 PolarHBondContact OD1-NE 3.14Å; D473-R557 IonicContact OD1-NH2 2.78Å; D473-R557 PolarHBondContact OD1-NH2 3.2Å; D473-R557 VanDerWaalsContact OD1-NH2 3.08Å; D473-R561 IonicContact OD2-CZ 3.44Å; D473-R561 IonicContact OD2-NE 3.66Å; D473-R561 PolarHBondContact OD2-NE 2.85Å; D473-R561 VanDerWaalsContact OD2-NE 3.11Å; D473-R561 IonicContact OD2-NH2 3.5Å; D473-R561 PolarHBondContact OD2-NH2 3.36Å
474	H	88.8	Confident	94.2	Very high	130 Å²	130	49 Å²	49	60%	0.602	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	-40.2	176	-69.4	-97.7	0	0	0	114.2	R470 C471 L472 P554	R470-H474 PolarHBondContact O-CD2 3.22Å; C471-H474 PolarHBondContact O-N 3.29Å; L472-H474 VanDerWaalsContact C-N 3.28Å; H474-P554 WeakPolarHBondContact ND1-CB 3.33Å
475	T	90.8	Very high	94.1	Very high	57 Å²	57	49 Å²	49	35%	0.35	26%	0.255	S	S	.	.			trans	-148.2	131.8	179.5	179.7	0	0	0	0	112.1	C471 L472 Q477	C471-T475 PolarHBondContact O-N 3.2Å; L472-T475 WeakPolarHBondContact CA-O 3.43Å; T475-Q477 HydrophobicContact CG2-CB 4.44Å; T475-Q477 PolarHBondContact O-N 3.1Å; T475-Q477 PolarHBondContact OG1-OE1 3.09Å
476	P	92.9	Very high	93.9	Very high	39 Å²	39	54.6 Å²	54.6	25%	0.253	28%	0.275	S	S	.	.	S	Bend	trans	-80.3	56.4	178.7	35.7	-37.2	0	0	0	111.4	L485 R486 L489	P476-L485 PolarHBondContact O-N 3.04Å; P476-R486 HydrophobicContact CB-CG 3.8Å; P476-R486 HydrophobicContact CG-CG 3.87Å; P476-L489 HydrophobicContact CB-CD2 3.97Å
477	Q	95.7	Very high	93.8	Very high	84 Å²	84	60.8 Å²	60.8	39%	0.393	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-138	148.7	-178	-72.8	179.1	-31.2	0	0	110.5	T475 P479 E483	T475-Q477 HydrophobicContact CG2-CB 4.44Å; T475-Q477 PolarHBondContact O-N 3.1Å; T475-Q477 PolarHBondContact OG1-OE1 3.09Å; Q477-P479 WeakPolarHBondContact O-CD 3Å; Q477-E483 CarbonylContact C-O 3.49Å; Q477-E483 VanDerWaalsContact CA-O 3.31Å; Q477-E483 WeakPolarHBondContact CA-O 3.37Å
478	C	96.6	Very high	93.6	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.007	30%	0.303	C	S	.	.			trans	-63	126.3	172.9	177.1	0	0	0	0	110.7	C459 L480 C481 K482 E483 L485	C459-C478 VanDerWaalsContact SG-CB 3.54Å; C478-L480 PolarHBondContact O-N 2.99Å; C478-L480 VanDerWaalsContact O-N 3.15Å; C478-C481 VanDerWaalsContact CB-SG 3.59Å; C478-K482 VanDerWaalsContact O-CA 3.22Å; C478-K482 WeakPolarHBondContact O-CA 3.22Å; C478-K482 PolarHBondContact O-N 3.28Å; C478-E483 PolarHBondContact N-O 3.49Å; C478-L485 HydrophobicContact CB-CD1 3.94Å; C478-L485 HydrophobicContact CB-CG 4.3Å
479	P	96.8	Very high	93.4	Very high	26 Å²	26	61.7 Å²	61.7	17%	0.169	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-34.5	-179.6	-29.6	36.7	0	0	0	114.5	L446 F463 C471 Q477 K482	L446-P479 HydrophobicContact CD1-CG 4.23Å; L446-P479 HydrophobicContact CD2-CB 3.73Å; L446-P479 HydrophobicContact CD2-CG 4.02Å; F463-P479 HydrophobicContact CE1-CB 4.2Å; F463-P479 HydrophobicContact CE1-CG 4.24Å; F463-P479 HydrophobicContact CZ-CB 4.21Å; F463-P479 HydrophobicContact CZ-CG 4.11Å; C471-P479 HydrophobicContact CB-CG 3.79Å; Q477-P479 WeakPolarHBondContact O-CD 3Å; P479-K482 PolarHBondContact O-NZ 2.94Å
480	L	96.4	Very high	93.2	Very high	89 Å²	89	62.9 Å²	62.9	47%	0.466	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-69.4	-179.2	-63.4	172.2	0	0	0	112.3	H461 F463 C478	H461-L480 HydrophobicContact CB-CD1 4.32Å; F463-L480 HydrophobicContact CE1-CD1 3.82Å; F463-L480 HydrophobicContact CE1-CG 3.93Å; F463-L480 HydrophobicContact CZ-CB 4.48Å; F463-L480 HydrophobicContact CZ-CD1 3.8Å; F463-L480 HydrophobicContact CZ-CG 3.88Å; C478-L480 PolarHBondContact O-N 2.99Å; C478-L480 VanDerWaalsContact O-N 3.15Å
481	C	96.6	Very high	93	Very high	57 Å²	57	62.8 Å²	62.8	39%	0.385	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-1.8	-174.5	67	0	0	0	0	116.7	C478 E483	C478-C481 VanDerWaalsContact CB-SG 3.59Å; C481-E483 PolarHBondContact O-N 3.12Å; C481-E483 VanDerWaalsContact SG-CB 3.58Å
482	K	96.3	Very high	92.6	Very high	128 Å²	128	64.2 Å²	64.2	56%	0.557	33%	0.33	S	S	*	.			trans	61.5	3.7	-177.4	-46.5	-51.9	-178.2	-167.7	0	116.8	C478 P479	C478-K482 VanDerWaalsContact O-CA 3.22Å; C478-K482 WeakPolarHBondContact O-CA 3.22Å; C478-K482 PolarHBondContact O-N 3.28Å; P479-K482 PolarHBondContact O-NZ 2.94Å
483	E	96.1	Very high	92.3	Very high	78 Å²	78	70.3 Å²	70.3	36%	0.364	36%	0.356	S	S	.	.			trans	-57.6	145.8	174.5	-174.8	155.8	-151	0	0	112.2	K150 C459 Q477 C478 C481 L485	K150-E483 IonicContact NZ-OE1 2.72Å; K150-E483 PolarHBondContact NZ-OE1 2.88Å; K150-E483 IonicContact NZ-OE2 3.59Å; K150-E483 PolarHBondContact NZ-OE2 3.42Å; C459-E483 HydrophobicContact CB-CB 4.13Å; C459-E483 HydrophobicContact CB-CG 4.18Å; C459-E483 WeakPolarHBondContact CB-OE2 3.26Å; Q477-E483 CarbonylContact C-O 3.49Å; Q477-E483 VanDerWaalsContact CA-O 3.31Å; Q477-E483 WeakPolarHBondContact CA-O 3.37Å; C478-E483 PolarHBondContact N-O 3.49Å; C481-E483 PolarHBondContact O-N 3.12Å; C481-E483 VanDerWaalsContact SG-CB 3.58Å; E483-L485 PolarHBondContact O-N 2.87Å
484	S	94.9	Very high	92.5	Very high	76 Å²	76	70.9 Å²	70.9	53%	0.531	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-63.9	130.9	-176	-179.7	0	0	0	0	111.8
485	L	94.7	Very high	92.8	Very high	4 Å²	4	68.2 Å²	68.2	2%	0.021	35%	0.347	C	S	.	.			trans	-118.3	22.9	174.4	-64.3	-178.9	0	0	0	111.9	T457 L468 L472 P476 C478 E483 E487 Y488 L489	T457-L485 HydrophobicContact CG2-CD1 3.77Å; T457-L485 HydrophobicContact CG2-CD2 4.32Å; L468-L485 HydrophobicContact CD1-CD1 4.25Å; L472-L485 HydrophobicContact CD2-CB 3.85Å; L472-L485 HydrophobicContact CD2-CD1 3.99Å; P476-L485 PolarHBondContact O-N 3.04Å; C478-L485 HydrophobicContact CB-CD1 3.94Å; C478-L485 HydrophobicContact CB-CG 4.3Å; E483-L485 PolarHBondContact O-N 2.87Å; L485-E487 PolarHBondContact O-N 2.96Å; L485-Y488 HydrophobicContact CD2-CD1 4.49Å; L485-Y488 PolarHBondContact O-N 3.22Å; L485-L489 WeakPolarHBondContact O-CB 3.5Å; L485-L489 PolarHBondContact O-N 2.93Å
486	R	92.8	Very high	93.1	Very high	173 Å²	173	66.8 Å²	66.8	65%	0.653	34%	0.338	S	S	*	.	H	α-helix	trans	-57.4	-48.8	-177.7	-70.2	179.1	179.3	-169.2	-0.3	113.1	P476 Y488 L489 A490	P476-R486 HydrophobicContact CB-CG 3.8Å; P476-R486 HydrophobicContact CG-CG 3.87Å; R486-Y488 VanDerWaalsContact C-N 3.34Å; R486-L489 PolarHBondContact O-N 3.12Å; R486-A490 WeakPolarHBondContact O-CB 3.37Å; R486-A490 PolarHBondContact O-N 2.94Å
487	E	90.7	Very high	93.3	Very high	162 Å²	162	64.9 Å²	64.9	76%	0.757	33%	0.326	S	S	*	.	H	α-helix	trans	-67.5	-35.9	179.1	-69.8	164.4	-152.8	0	0	111.7	L485 A490 C491	L485-E487 PolarHBondContact O-N 2.96Å; E487-A490 PolarHBondContact O-N 2.92Å; E487-C491 WeakPolarHBondContact O-CB 3.31Å; E487-C491 PolarHBondContact O-N 2.74Å; E487-C491 PolarHBondContact O-SG 3.04Å; E487-C491 VanDerWaalsContact O-SG 3.35Å
488	Y	90.6	Very high	93.3	Very high	35 Å²	35	63.5 Å²	63.5	14%	0.137	32%	0.321	C	S	.	.	H	α-helix	trans	-67.1	-40.7	176.2	-165.2	-130.3	0	0	0	111.8	T456 T457 P458 L468 L485 R486 C491 R492 K493 Y494	T456-Y488 PolarHBondContact O-OH 3.44Å; T457-Y488 HydrophobicContact CG2-CD1 4.5Å; T457-Y488 HydrophobicContact CG2-CE1 4.15Å; P458-Y488 HydrophobicContact CG-CD2 4.1Å; P458-Y488 HydrophobicContact CG-CG 4.17Å; L468-Y488 HydrophobicContact CD2-CE1 3.88Å; L485-Y488 HydrophobicContact CD2-CD1 4.49Å; L485-Y488 PolarHBondContact O-N 3.22Å; R486-Y488 VanDerWaalsContact C-N 3.34Å; Y488-C491 PolarHBondContact O-N 3.44Å; Y488-R492 PolarHBondContact O-N 3.14Å; Y488-K493 WeakPolarHBondContact CE2-O 3.28Å; Y488-Y494 HydrophobicContact CD1-CD1 4.21Å; Y488-Y494 AromaticContact CD1-CE1 3.98Å; Y488-Y494 HydrophobicContact CD1-CE1 3.98Å; Y488-Y494 AromaticContact CE1-CD1 3.67Å; Y488-Y494 HydrophobicContact CE1-CD1 3.67Å; Y488-Y494 AromaticContact CE1-CE1 3.91Å; Y488-Y494 HydrophobicContact CE1-CE1 3.91Å; Y488-Y494 HydrophobicContact CE2-CD1 4.5Å; Y488-Y494 AromaticContact CZ-CD1 3.82Å
489	L	91.6	Very high	93.2	Very high	4 Å²	4	64.4 Å²	64.4	2%	0.021	33%	0.327	C	S	.	.	H	α-helix	trans	-64.3	-39.7	170.6	173.4	60.3	0	0	0	112.6	L472 P476 L485 R486 R492 Y494	L472-L489 HydrophobicContact CB-CD1 4.22Å; P476-L489 HydrophobicContact CB-CD2 3.97Å; L485-L489 WeakPolarHBondContact O-CB 3.5Å; L485-L489 PolarHBondContact O-N 2.93Å; R486-L489 PolarHBondContact O-N 3.12Å; L489-R492 WeakPolarHBondContact O-CG 3.21Å; L489-R492 PolarHBondContact O-N 3.42Å; L489-Y494 WeakPolarHBondContact CD1-OH 3.34Å
490	A	89.7	Confident	93.2	Very high	48 Å²	48	63.1 Å²	63.1	40%	0.397	32%	0.318	S	S	.	.	H	α-helix	trans	-65.4	-41	177	0	0	0	0	0	112.1	R486 E487 P598	R486-A490 WeakPolarHBondContact O-CB 3.37Å; R486-A490 PolarHBondContact O-N 2.94Å; E487-A490 PolarHBondContact O-N 2.92Å; A490-P598 HydrophobicContact CB-CB 3.8Å
491	C	85.9	Confident	93.1	Very high	84 Å²	84	60 Å²	60	57%	0.568	30%	0.302	S	S	*	.	H	α-helix	trans	-72.6	-29	178	-73.4	0	0	0	0	114	E487 Y488 K493	E487-C491 WeakPolarHBondContact O-CB 3.31Å; E487-C491 PolarHBondContact O-N 2.74Å; E487-C491 PolarHBondContact O-SG 3.04Å; E487-C491 VanDerWaalsContact O-SG 3.35Å; Y488-C491 PolarHBondContact O-N 3.44Å; C491-K493 PolarHBondContact O-N 3.26Å
492	R	85.9	Confident	93	Very high	67 Å²	67	59.9 Å²	59.9	25%	0.253	30%	0.3	S	S	.	.			trans	53.5	17.6	-175.6	-61.5	-170.4	163.1	-132.7	-5.3	115.7	Y488 L489 Y494 F596	Y488-R492 PolarHBondContact O-N 3.14Å; L489-R492 WeakPolarHBondContact O-CG 3.21Å; L489-R492 PolarHBondContact O-N 3.42Å; R492-Y494 VanDerWaalsContact C-N 3.3Å; R492-Y494 HydrophobicContact CB-CE2 4.3Å; R492-Y494 PolarHBondContact O-N 3.47Å; R492-F596 VanDerWaalsContact NH1-CD1 3.27Å; R492-F596 VanDerWaalsContact NH1-CG 3.34Å
493	K	86.3	Confident	92.8	Very high	128 Å²	128	54 Å²	54	56%	0.557	27%	0.274	S	S	*	.			trans	-84.3	68.3	178.8	-69.3	-169.6	176.2	-171.6	0	111.2	Y488 C491 I495	Y488-K493 WeakPolarHBondContact CE2-O 3.28Å; C491-K493 PolarHBondContact O-N 3.26Å; K493-I495 HydrophobicContact CB-CD1 4.47Å; K493-I495 HydrophobicContact CB-CG1 4.35Å; K493-I495 PolarHBondContact O-N 2.97Å
494	Y	92.7	Very high	92.8	Very high	19 Å²	19	50.3 Å²	50.3	8%	0.075	26%	0.257	C	S	.	.			trans	-79.7	68	176.1	-50.4	-58.1	0	0	0	111.1	L468 E469 L472 Y488 L489 R492	L468-Y494 HydrophobicContact CD2-CD1 4.49Å; E469-Y494 HydrophobicContact CG-CD2 3.65Å; E469-Y494 HydrophobicContact CG-CE2 3.58Å; E469-Y494 HydrophobicContact CG-CG 4.31Å; E469-Y494 VanDerWaalsContact OE1-CD2 3.29Å; E469-Y494 WeakPolarHBondContact OE1-CD2 3.26Å; E469-Y494 VanDerWaalsContact OE1-CE2 3.31Å; E469-Y494 WeakPolarHBondContact OE1-CE2 3.16Å; L472-Y494 HydrophobicContact CD1-CE1 3.63Å; L472-Y494 WeakPolarHBondContact CD1-OH 3.33Å; Y488-Y494 HydrophobicContact CD1-CD1 4.21Å; Y488-Y494 AromaticContact CD1-CE1 3.98Å; Y488-Y494 HydrophobicContact CD1-CE1 3.98Å; Y488-Y494 AromaticContact CE1-CD1 3.67Å; Y488-Y494 HydrophobicContact CE1-CD1 3.67Å; Y488-Y494 AromaticContact CE1-CE1 3.91Å; Y488-Y494 HydrophobicContact CE1-CE1 3.91Å; Y488-Y494 HydrophobicContact CE2-CD1 4.5Å; Y488-Y494 AromaticContact CZ-CD1 3.82Å; L489-Y494 WeakPolarHBondContact CD1-OH 3.34Å; R492-Y494 VanDerWaalsContact C-N 3.3Å; R492-Y494 HydrophobicContact CB-CE2 4.3Å; R492-Y494 PolarHBondContact O-N 3.47Å
495	I	94.9	Very high	92.7	Very high	74 Å²	74	50.6 Å²	50.6	38%	0.379	25%	0.248	S	C	.	.			trans	-76.7	137	-176.8	-50.1	-54.5	0	0	0	110.4	A120 V455 K493	A120-I495 WeakPolarHBondContact O-CG1 3.4Å; V455-I495 WeakPolarHBondContact CG1-O 3.32Å; K493-I495 HydrophobicContact CB-CD1 4.47Å; K493-I495 HydrophobicContact CB-CG1 4.35Å; K493-I495 PolarHBondContact O-N 2.97Å
496	V	97.4	Very high	92.6	Very high	26 Å²	26	54.1 Å²	54.1	16%	0.158	27%	0.265	C	S	.	.			trans	-64.8	142	178.8	176.2	0	0	0	0	110.7	G122 E453 P454 N498 D501	G122-V496 WeakPolarHBondContact CA-O 3.29Å; E453-V496 HydrophobicContact CB-CG2 3.91Å; E453-V496 HydrophobicContact CG-CG2 4.27Å; P454-V496 HydrophobicContact CG-CG1 4.26Å; P454-V496 CarbonylContact O-C 3.57Å; P454-V496 WeakPolarHBondContact O-CA 3.47Å; V496-N498 PolarHBondContact O-N 2.91Å; V496-N498 PolarHBondContact O-OD1 3.28Å; V496-N498 VanDerWaalsContact O-OD1 3.12Å; V496-D501 HydrophobicContact CG1-CB 3.59Å
497	T	97.1	Very high	92.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.248	C	C	.	.			trans	-83.9	92.6	178.1	-58.6	0	0	0	0	109.1	T118 G122 L155 P454 T456 V499 L500 D501	T118-T497 HydrophobicContact CG2-CG2 3.79Å; G122-T497 CarbonylContact O-C 3.53Å; G122-T497 WeakPolarHBondContact O-CA 3.26Å; L155-T497 HydrophobicContact CD1-CG2 4.44Å; P454-T497 PolarHBondContact O-N 3.01Å; P454-T497 PolarHBondContact O-OG1 3.18Å; T456-T497 WeakPolarHBondContact CB-OG1 3.48Å; T456-T497 PolarHBondContact N-OG1 2.73Å; T456-T497 VanDerWaalsContact N-OG1 3.13Å; T456-T497 PolarHBondContact OG1-OG1 2.88Å; T497-V499 PolarHBondContact O-N 2.8Å; T497-L500 HydrophobicContact CG2-CB 4.27Å; T497-L500 HydrophobicContact CG2-CD1 3.9Å; T497-L500 HydrophobicContact CG2-CG 4.09Å; T497-L500 PolarHBondContact O-N 3.26Å; T497-D501 PolarHBondContact O-N 3.13Å
498	N	95.4	Very high	92.6	Very high	54 Å²	54	41.4 Å²	41.4	29%	0.289	21%	0.214	S	C	.	.	H	α-helix	trans	-51.9	-37.8	-167.8	-66.9	1.8	0	0	0	113.3	G122 H123 V496 V502	G122-N498 PolarHBondContact O-N 3.08Å; H123-N498 PolarHBondContact CE1-ND2 3.14Å; H123-N498 VanDerWaalsContact CE1-ND2 3.28Å; H123-N498 PolarHBondContact NE2-ND2 3.1Å; V496-N498 PolarHBondContact O-N 2.91Å; V496-N498 PolarHBondContact O-OD1 3.28Å; V496-N498 VanDerWaalsContact O-OD1 3.12Å; N498-V502 WeakPolarHBondContact O-CB 3.49Å; N498-V502 VanDerWaalsContact O-CG2 3.24Å; N498-V502 WeakPolarHBondContact O-CG2 3.26Å; N498-V502 PolarHBondContact O-N 3.03Å
499	V	94.7	Very high	92.8	Very high	20 Å²	20	42.8 Å²	42.8	12%	0.121	23%	0.229	C	C	.	.	H	α-helix	trans	-64.1	-42.5	178.7	179.4	0	0	0	0	111.5	V103 L113 L155 T497 L503	V103-V499 HydrophobicContact CG1-CG1 3.93Å; L113-V499 HydrophobicContact CD2-CG1 4.36Å; L113-V499 HydrophobicContact CD2-CG2 4.5Å; L155-V499 HydrophobicContact CD1-CB 4.11Å; L155-V499 HydrophobicContact CD1-CG1 4.08Å; L155-V499 HydrophobicContact CD2-CB 4.44Å; L155-V499 HydrophobicContact CD2-CG1 3.75Å; T497-V499 PolarHBondContact O-N 2.8Å; V499-L503 HydrophobicContact CG1-CD1 3.97Å; V499-L503 WeakPolarHBondContact O-CB 3.27Å; V499-L503 WeakPolarHBondContact O-CD1 3.33Å; V499-L503 WeakPolarHBondContact O-CG 3.02Å; V499-L503 PolarHBondContact O-N 3.27Å; V499-L503 VanDerWaalsContact O-N 3.09Å
500	L	95.9	Very high	92.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-72	-43.5	178.1	-72.5	170.9	0	0	0	111.6	A154 L155 L158 L442 P454 T462 T497 V502 L503 I504	A154-L500 HydrophobicContact CB-CD1 4.42Å; L155-L500 HydrophobicContact CD1-CG 4.34Å; L155-L500 HydrophobicContact CD2-CD2 3.39Å; L155-L500 HydrophobicContact CD2-CG 3.72Å; L155-L500 HydrophobicContact CG-CD1 4.23Å; L155-L500 HydrophobicContact CG-CD2 3.83Å; L155-L500 HydrophobicContact CG-CG 3.84Å; L158-L500 HydrophobicContact CD1-CD2 3.61Å; L442-L500 HydrophobicContact CD2-CD2 3.74Å; P454-L500 HydrophobicContact CB-CB 4.13Å; P454-L500 HydrophobicContact CB-CD1 4.42Å; P454-L500 HydrophobicContact CG-CB 3.88Å; T462-L500 HydrophobicContact CG2-CD1 3.66Å; T497-L500 HydrophobicContact CG2-CB 4.27Å; T497-L500 HydrophobicContact CG2-CD1 3.9Å; T497-L500 HydrophobicContact CG2-CG 4.09Å; T497-L500 PolarHBondContact O-N 3.26Å; L500-V502 PolarHBondContact O-N 2.93Å; L500-L503 PolarHBondContact O-N 3.12Å; L500-I504 WeakPolarHBondContact O-CB 2.96Å; L500-I504 VanDerWaalsContact O-CD1 3.25Å; L500-I504 WeakPolarHBondContact O-CD1 3.4Å; L500-I504 WeakPolarHBondContact O-CG1 3.4Å; L500-I504 PolarHBondContact O-N 2.93Å
501	D	95.8	Very high	93.2	Very high	24 Å²	24	51 Å²	51	13%	0.128	26%	0.259	C	S	.	.	H	α-helix	trans	-60	-42.9	179	-179.4	75.2	0	0	0	112.5	P454 V496 T497 K505	P454-D501 HydrophobicContact CG-CB 4.12Å; V496-D501 HydrophobicContact CG1-CB 3.59Å; T497-D501 PolarHBondContact O-N 3.13Å; D501-K505 WeakPolarHBondContact O-CD 3.44Å; D501-K505 VanDerWaalsContact O-CG 3.31Å; D501-K505 WeakPolarHBondContact O-CG 3.31Å; D501-K505 PolarHBondContact O-N 3.41Å; D501-K505 VanDerWaalsContact O-N 3.16Å; D501-K505 VanDerWaalsContact OD1-CE 3.24Å; D501-K505 WeakPolarHBondContact OD1-CE 3.45Å; D501-K505 IonicContact OD1-NZ 3.13Å; D501-K505 PolarHBondContact OD1-NZ 2.75Å; D501-K505 IonicContact OD2-NZ 3.68Å; D501-K505 PolarHBondContact OD2-NZ 2.82Å
502	V	93.9	Very high	93.6	Very high	54 Å²	54	48.9 Å²	48.9	33%	0.327	24%	0.239	S	C	.	.	H	α-helix	trans	-65.9	-46.5	173.8	170.4	0	0	0	0	111.5	V103 N498 L500 I504 K505 Q506	V103-V502 HydrophobicContact CG1-CG1 4.31Å; V103-V502 HydrophobicContact CG2-CG1 3.76Å; N498-V502 WeakPolarHBondContact O-CB 3.49Å; N498-V502 VanDerWaalsContact O-CG2 3.24Å; N498-V502 WeakPolarHBondContact O-CG2 3.26Å; N498-V502 PolarHBondContact O-N 3.03Å; L500-V502 PolarHBondContact O-N 2.93Å; V502-I504 VanDerWaalsContact C-N 3.34Å; V502-I504 PolarHBondContact O-N 3.42Å; V502-K505 PolarHBondContact O-N 2.81Å; V502-Q506 HydrophobicContact CG1-CG 4.26Å; V502-Q506 VanDerWaalsContact CG1-OE1 3.25Å; V502-Q506 WeakPolarHBondContact O-CB 3.19Å; V502-Q506 WeakPolarHBondContact O-CG 3.45Å; V502-Q506 PolarHBondContact O-N 3Å
503	L	92.6	Very high	94.1	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.016	26%	0.258	C	S	.	.	H	α-helix	trans	-60.2	-42.1	178.6	-74.2	169.8	0	0	0	112.6	V103 F104 L155 W162 V499 L500 Q506 L507	V103-L503 HydrophobicContact CG1-CD1 4.42Å; V103-L503 HydrophobicContact CG1-CD2 3.85Å; V103-L503 HydrophobicContact CG1-CG 3.81Å; F104-L503 HydrophobicContact CE1-CD1 4.04Å; F104-L503 HydrophobicContact CE1-CD2 3.54Å; F104-L503 HydrophobicContact CE1-CG 4.42Å; F104-L503 HydrophobicContact CE2-CD2 4.37Å; F104-L503 HydrophobicContact CZ-CD2 3.4Å; F104-L503 VanDerWaalsContact CZ-CD2 3.4Å; L155-L503 HydrophobicContact CD2-CD1 4.17Å; W162-L503 HydrophobicContact CZ3-CD1 4.1Å; W162-L503 HydrophobicContact CZ3-CD2 4.21Å; V499-L503 HydrophobicContact CG1-CD1 3.97Å; V499-L503 WeakPolarHBondContact O-CB 3.27Å; V499-L503 WeakPolarHBondContact O-CD1 3.33Å; V499-L503 WeakPolarHBondContact O-CG 3.02Å; V499-L503 PolarHBondContact O-N 3.27Å; V499-L503 VanDerWaalsContact O-N 3.09Å; L500-L503 PolarHBondContact O-N 3.12Å; L503-Q506 PolarHBondContact O-N 3.31Å; L503-L507 HydrophobicContact CB-CD1 4.38Å; L503-L507 HydrophobicContact CD2-CD1 3.87Å; L503-L507 VanDerWaalsContact O-CB 3.22Å; L503-L507 WeakPolarHBondContact O-CB 3.48Å; L503-L507 WeakPolarHBondContact O-CG 3.33Å; L503-L507 PolarHBondContact O-N 3.47Å
504	I	94.7	Very high	94.5	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-62	-48.9	177.3	-67	156.3	0	0	0	110	L442 L450 F451 P454 L500 V502 Q506 F508 Y512	L442-I504 HydrophobicContact CD1-CG1 3.99Å; L442-I504 HydrophobicContact CD2-CD1 4.45Å; L442-I504 HydrophobicContact CD2-CG1 4.07Å; L442-I504 HydrophobicContact CG-CG1 4.43Å; L450-I504 HydrophobicContact CD1-CG1 4.5Å; L450-I504 HydrophobicContact CD1-CG2 4.19Å; L450-I504 HydrophobicContact CD2-CG2 3.95Å; L450-I504 HydrophobicContact CG-CG2 4.14Å; F451-I504 HydrophobicContact CB-CD1 3.57Å; P454-I504 HydrophobicContact CG-CD1 4.06Å; L500-I504 WeakPolarHBondContact O-CB 2.96Å; L500-I504 VanDerWaalsContact O-CD1 3.25Å; L500-I504 WeakPolarHBondContact O-CD1 3.4Å; L500-I504 WeakPolarHBondContact O-CG1 3.4Å; L500-I504 PolarHBondContact O-N 2.93Å; V502-I504 VanDerWaalsContact C-N 3.34Å; V502-I504 PolarHBondContact O-N 3.42Å; I504-Q506 VanDerWaalsContact C-N 3.35Å; I504-Q506 PolarHBondContact O-N 2.78Å; I504-F508 CarbonylContact O-C 3.59Å; I504-F508 VanDerWaalsContact O-C 3.25Å; I504-F508 WeakPolarHBondContact O-CA 3.46Å; I504-F508 PolarHBondContact O-N 2.81Å; I504-Y512 HydrophobicContact CG2-CD2 3.65Å; I504-Y512 HydrophobicContact CG2-CG 4.18Å
505	K	93.9	Very high	94.6	Very high	82 Å²	82	50.5 Å²	50.5	36%	0.357	25%	0.254	S	S	.	.	H	α-helix	trans	-66.4	-32	-178.8	-71.5	166.8	-176.3	168.7	0	113.7	D501 V502 S509 Y512	D501-K505 WeakPolarHBondContact O-CD 3.44Å; D501-K505 VanDerWaalsContact O-CG 3.31Å; D501-K505 WeakPolarHBondContact O-CG 3.31Å; D501-K505 PolarHBondContact O-N 3.41Å; D501-K505 VanDerWaalsContact O-N 3.16Å; D501-K505 VanDerWaalsContact OD1-CE 3.24Å; D501-K505 WeakPolarHBondContact OD1-CE 3.45Å; D501-K505 IonicContact OD1-NZ 3.13Å; D501-K505 PolarHBondContact OD1-NZ 2.75Å; D501-K505 IonicContact OD2-NZ 3.68Å; D501-K505 PolarHBondContact OD2-NZ 2.82Å; V502-K505 PolarHBondContact O-N 2.81Å; K505-S509 WeakPolarHBondContact O-CB 3.24Å; K505-Y512 HydrophobicContact CD-CE1 4.39Å; K505-Y512 WeakPolarHBondContact CE-OH 3.46Å; K505-Y512 HydrophobicContact CG-CD1 3.95Å; K505-Y512 HydrophobicContact CG-CD2 4.24Å; K505-Y512 HydrophobicContact CG-CE1 3.99Å; K505-Y512 HydrophobicContact CG-CE2 4.24Å; K505-Y512 HydrophobicContact CG-CG 4.1Å
506	Q	91.3	Very high	94.7	Very high	79 Å²	79	48.5 Å²	48.5	37%	0.369	25%	0.245	S	C	.	.	H	α-helix	trans	-84.5	-34.3	179.5	-73.6	-178.8	-43.1	0	0	113.7	D100 V502 L503 I504	D100-Q506 PolarHBondContact OD1-NE2 2.89Å; V502-Q506 HydrophobicContact CG1-CG 4.26Å; V502-Q506 VanDerWaalsContact CG1-OE1 3.25Å; V502-Q506 WeakPolarHBondContact O-CB 3.19Å; V502-Q506 WeakPolarHBondContact O-CG 3.45Å; V502-Q506 PolarHBondContact O-N 3Å; L503-Q506 PolarHBondContact O-N 3.31Å; I504-Q506 VanDerWaalsContact C-N 3.35Å; I504-Q506 PolarHBondContact O-N 2.78Å
507	L	91.1	Very high	94.6	Very high	56 Å²	56	52.6 Å²	52.6	29%	0.293	26%	0.261	S	S	.	.	H	α-helix	trans	-102.6	-24.9	-172	-58.1	173.2	0	0	0	113.7	W162 L437 L503	W162-L507 HydrophobicContact CH2-CD1 3.73Å; W162-L507 HydrophobicContact CZ2-CD1 4.44Å; W162-L507 HydrophobicContact CZ3-CD1 4.13Å; L437-L507 HydrophobicContact CD2-CB 4.37Å; L437-L507 HydrophobicContact CD2-CD1 3.9Å; L437-L507 HydrophobicContact CD2-CD2 4.21Å; L437-L507 HydrophobicContact CD2-CG 4.39Å; L503-L507 HydrophobicContact CB-CD1 4.38Å; L503-L507 HydrophobicContact CD2-CD1 3.87Å; L503-L507 VanDerWaalsContact O-CB 3.22Å; L503-L507 WeakPolarHBondContact O-CB 3.48Å; L503-L507 WeakPolarHBondContact O-CG 3.33Å; L503-L507 PolarHBondContact O-N 3.47Å
508	F	93.2	Very high	94.5	Very high	12 Å²	12	55.1 Å²	55.1	5%	0.053	28%	0.277	C	S	.	.	S	Bend	trans	-136.8	49.3	-174	-57.2	-79.9	0	0	0	110.2	L437 A439 L442 L450 I504 Q510 E511 Y512	L437-F508 HydrophobicContact CB-CZ 4.17Å; L437-F508 HydrophobicContact CD2-CZ 4.29Å; A439-F508 HydrophobicContact CB-CD1 3.85Å; A439-F508 HydrophobicContact CB-CE1 3.88Å; L442-F508 HydrophobicContact CD1-CD2 3.64Å; L442-F508 HydrophobicContact CD1-CE2 3.48Å; L442-F508 VanDerWaalsContact CD1-CE2 3.48Å; L450-F508 HydrophobicContact CD2-CB 4.47Å; I504-F508 CarbonylContact O-C 3.59Å; I504-F508 VanDerWaalsContact O-C 3.25Å; I504-F508 WeakPolarHBondContact O-CA 3.46Å; I504-F508 PolarHBondContact O-N 2.81Å; F508-Q510 PolarHBondContact O-N 3.14Å; F508-E511 VanDerWaalsContact C-OE2 3.25Å; F508-E511 VanDerWaalsContact CA-OE2 3.31Å; F508-E511 WeakPolarHBondContact CA-OE2 3.49Å; F508-E511 HydrophobicContact CB-CB 4.47Å; F508-E511 PolarHBondContact O-N 3.49Å; F508-Y512 VanDerWaalsContact O-CB 3.3Å; F508-Y512 WeakPolarHBondContact O-CB 3.48Å; F508-Y512 PolarHBondContact O-N 3.44Å
509	S	94	Very high	94.3	Very high	64 Å²	64	53.5 Å²	53.5	45%	0.448	27%	0.267	S	S	.	.	H	α-helix	trans	-61.9	-44	-172.1	54	0	0	0	0	112.7	K505 Y512 E513	K505-S509 WeakPolarHBondContact O-CB 3.24Å; S509-Y512 PolarHBondContact O-N 2.87Å; S509-E513 WeakPolarHBondContact O-CG 3.49Å; S509-E513 PolarHBondContact O-N 3.33Å
510	Q	94.6	Very high	94.2	Very high	136 Å²	136	57.6 Å²	57.6	64%	0.636	29%	0.288	S	S	*	.	H	α-helix	trans	-65.6	-45.6	-179.7	-176.7	176.9	-13.8	0	0	111.3	F508 Y512 E513 D514	F508-Q510 PolarHBondContact O-N 3.14Å; Q510-Y512 VanDerWaalsContact C-N 3.28Å; Q510-Y512 PolarHBondContact O-N 3.37Å; Q510-E513 PolarHBondContact O-N 2.98Å; Q510-D514 PolarHBondContact O-N 3.31Å
511	E	95.3	Very high	94.1	Very high	87 Å²	87	62.6 Å²	62.6	41%	0.407	31%	0.311	S	S	.	.	H	α-helix	trans	-66.2	-33	177.7	-56.4	94.6	142	0	0	111.4	L450 F508 R515	L450-E511 HydrophobicContact CD2-CB 3.66Å; F508-E511 VanDerWaalsContact C-OE2 3.25Å; F508-E511 VanDerWaalsContact CA-OE2 3.31Å; F508-E511 WeakPolarHBondContact CA-OE2 3.49Å; F508-E511 HydrophobicContact CB-CB 4.47Å; F508-E511 PolarHBondContact O-N 3.49Å; E511-R515 WeakPolarHBondContact O-CB 3.39Å; E511-R515 PolarHBondContact O-N 3.37Å
512	Y	95.3	Very high	93.9	Very high	40 Å²	40	64 Å²	64	16%	0.157	32%	0.317	C	S	.	.	H	α-helix	trans	-69	-39.1	171.7	-179.9	-91	0	0	0	112.5	Y452 I504 K505 F508 S509 Q510 R515 T516	Y452-Y512 AromaticContact CD2-CE2 4Å; Y452-Y512 HydrophobicContact CD2-CE2 4Å; Y452-Y512 HydrophobicContact CE2-CE2 4.13Å; I504-Y512 HydrophobicContact CG2-CD2 3.65Å; I504-Y512 HydrophobicContact CG2-CG 4.18Å; K505-Y512 HydrophobicContact CD-CE1 4.39Å; K505-Y512 WeakPolarHBondContact CE-OH 3.46Å; K505-Y512 HydrophobicContact CG-CD1 3.95Å; K505-Y512 HydrophobicContact CG-CD2 4.24Å; K505-Y512 HydrophobicContact CG-CE1 3.99Å; K505-Y512 HydrophobicContact CG-CE2 4.24Å; K505-Y512 HydrophobicContact CG-CG 4.1Å; F508-Y512 VanDerWaalsContact O-CB 3.3Å; F508-Y512 WeakPolarHBondContact O-CB 3.48Å; F508-Y512 PolarHBondContact O-N 3.44Å; S509-Y512 PolarHBondContact O-N 2.87Å; Q510-Y512 VanDerWaalsContact C-N 3.28Å; Q510-Y512 PolarHBondContact O-N 3.37Å; Y512-R515 PolarHBondContact O-N 3.5Å; Y512-T516 VanDerWaalsContact CE1-OG1 3.28Å; Y512-T516 WeakPolarHBondContact CE1-OG1 3.35Å; Y512-T516 WeakPolarHBondContact O-CB 3.48Å; Y512-T516 PolarHBondContact O-N 2.95Å; Y512-T516 PolarHBondContact O-OG1 3.44Å
513	E	96	Very high	93.8	Very high	136 Å²	136	63.9 Å²	63.9	64%	0.636	32%	0.315	S	S	*	.	H	α-helix	trans	-63.8	-47.7	174.3	-77.8	177.5	-160.2	0	0	111.6	S509 Q510 R515 T516 K517	S509-E513 WeakPolarHBondContact O-CG 3.49Å; S509-E513 PolarHBondContact O-N 3.33Å; Q510-E513 PolarHBondContact O-N 2.98Å; E513-R515 VanDerWaalsContact C-N 3.31Å; E513-R515 PolarHBondContact O-N 2.88Å; E513-T516 WeakPolarHBondContact O-CB 3.41Å; E513-T516 PolarHBondContact O-N 2.96Å; E513-T516 VanDerWaalsContact O-N 3.15Å; E513-K517 WeakPolarHBondContact O-CB 3.43Å; E513-K517 PolarHBondContact O-N 2.88Å
514	D	95.3	Very high	93.8	Very high	88 Å²	88	73.2 Å²	73.2	47%	0.471	35%	0.35	S	S	.	.	H	α-helix	trans	-61	-40	173.7	-85.1	-35.2	0	0	0	111.7	Q510 T516 K517 T518	Q510-D514 PolarHBondContact O-N 3.31Å; D514-T516 VanDerWaalsContact C-N 3.33Å; D514-T516 PolarHBondContact O-N 2.65Å; D514-K517 PolarHBondContact O-N 3.47Å; D514-T518 WeakPolarHBondContact O-CB 3.34Å; D514-T518 PolarHBondContact O-N 3.33Å; D514-T518 PolarHBondContact O-OG1 3Å
515	R	95.1	Very high	93.6	Very high	25 Å²	25	78.9 Å²	78.9	9%	0.094	38%	0.376	C	S	.	.	H	α-helix	trans	-64.8	-37	175.2	-175.5	67.9	-162.4	93.3	-11.8	112.2	Y452 E511 Y512 E513 H519	Y452-R515 HydrophobicContact CD2-CG 3.82Å; Y452-R515 HydrophobicContact CG-CG 4.13Å; E511-R515 WeakPolarHBondContact O-CB 3.39Å; E511-R515 PolarHBondContact O-N 3.37Å; Y512-R515 PolarHBondContact O-N 3.5Å; E513-R515 VanDerWaalsContact C-N 3.31Å; E513-R515 PolarHBondContact O-N 2.88Å; R515-H519 PolarHBondContact O-N 2.91Å; R515-H519 VanDerWaalsContact O-N 3.14Å
516	T	95.6	Very high	93.5	Very high	31 Å²	31	76.6 Å²	76.6	19%	0.19	37%	0.367	C	S	.	.	H	α-helix	trans	-67.7	-50.2	176.3	-59.5	0	0	0	0	110.7	Y452 Y512 E513 D514 T518 H519 L520	Y452-T516 HydrophobicContact CE2-CG2 4.37Å; Y452-T516 WeakPolarHBondContact CE2-OG1 3.38Å; Y512-T516 VanDerWaalsContact CE1-OG1 3.28Å; Y512-T516 WeakPolarHBondContact CE1-OG1 3.35Å; Y512-T516 WeakPolarHBondContact O-CB 3.48Å; Y512-T516 PolarHBondContact O-N 2.95Å; Y512-T516 PolarHBondContact O-OG1 3.44Å; E513-T516 WeakPolarHBondContact O-CB 3.41Å; E513-T516 PolarHBondContact O-N 2.96Å; E513-T516 VanDerWaalsContact O-N 3.15Å; D514-T516 VanDerWaalsContact C-N 3.33Å; D514-T516 PolarHBondContact O-N 2.65Å; T516-T518 VanDerWaalsContact C-N 3.34Å; T516-T518 PolarHBondContact O-N 3.5Å; T516-H519 WeakPolarHBondContact O-CB 3.25Å; T516-H519 PolarHBondContact O-N 3.12Å; T516-L520 HydrophobicContact CG2-CD1 4.19Å; T516-L520 WeakPolarHBondContact O-CG 3.46Å; T516-L520 PolarHBondContact O-N 3.26Å
517	K	95.9	Very high	93.7	Very high	113 Å²	113	75 Å²	75	49%	0.491	37%	0.366	S	S	.	.	H	α-helix	trans	-55.2	-49.4	175.3	176.6	-176	168.3	-169.1	0	111.3	E513 D514 H519 L520 E521	E513-K517 WeakPolarHBondContact O-CB 3.43Å; E513-K517 PolarHBondContact O-N 2.88Å; D514-K517 PolarHBondContact O-N 3.47Å; K517-H519 PolarHBondContact O-N 3.27Å; K517-L520 PolarHBondContact O-N 3.03Å; K517-L520 VanDerWaalsContact O-N 3.12Å; K517-E521 WeakPolarHBondContact CE-OE1 3.37Å; K517-E521 WeakPolarHBondContact CG-OE1 3.45Å; K517-E521 WeakPolarHBondContact O-CG 3.07Å; K517-E521 PolarHBondContact O-N 3.05Å
518	T	94.1	Very high	93.9	Very high	53 Å²	53	75.4 Å²	75.4	33%	0.325	37%	0.368	S	S	.	.	H	α-helix	trans	-54.6	-41.3	175.5	-56	0	0	0	0	111.5	D514 T516 E522	D514-T518 WeakPolarHBondContact O-CB 3.34Å; D514-T518 PolarHBondContact O-N 3.33Å; D514-T518 PolarHBondContact O-OG1 3Å; T516-T518 VanDerWaalsContact C-N 3.34Å; T516-T518 PolarHBondContact O-N 3.5Å; T518-E522 WeakPolarHBondContact O-CB 3.45Å; T518-E522 VanDerWaalsContact O-CG 3.29Å; T518-E522 WeakPolarHBondContact O-CG 3.5Å; T518-E522 PolarHBondContact O-N 3.41Å
519	H	92.4	Very high	94	Very high	19 Å²	19	77.3 Å²	77.3	9%	0.088	38%	0.378	C	S	.	.	H	α-helix	trans	-70.7	-38.8	178.6	-176.7	45.8	0	0	0	113.2	Y452 N466 R515 T516 K517 E521 E522 N523	Y452-H519 HydrophobicContact CE1-CB 4.14Å; Y452-H519 AromaticContact CE1-CD2 3.25Å; Y452-H519 WeakPolarHBondContact CE1-CD2 3.47Å; Y452-H519 AromaticContact CE1-CG 3.76Å; Y452-H519 AromaticContact CE1-NE2 3.97Å; Y452-H519 AromaticContact CZ-CD2 3.69Å; N466-H519 PolarHBondContact ND2-CE1 2.86Å; R515-H519 PolarHBondContact O-N 2.91Å; R515-H519 VanDerWaalsContact O-N 3.14Å; T516-H519 WeakPolarHBondContact O-CB 3.25Å; T516-H519 PolarHBondContact O-N 3.12Å; K517-H519 PolarHBondContact O-N 3.27Å; H519-E521 VanDerWaalsContact C-N 3.33Å; H519-E522 PolarHBondContact O-N 3.32Å; H519-N523 VanDerWaalsContact CE1-CG 3.45Å; H519-N523 PolarHBondContact CE1-ND2 3.07Å; H519-N523 PolarHBondContact CE1-OD1 3.36Å; H519-N523 PolarHBondContact NE2-ND2 3.2Å; H519-N523 WeakPolarHBondContact O-CB 3.46Å; H519-N523 VanDerWaalsContact O-CG 3.22Å; H519-N523 PolarHBondContact O-N 3.09Å; H519-N523 PolarHBondContact O-ND2 3.11Å
520	L	92.6	Very high	94.2	Very high	107 Å²	107	77.1 Å²	77.1	56%	0.56	38%	0.375	S	S	*	.	H	α-helix	trans	-64.9	-37.7	175.4	-67.6	171.8	0	0	0	111.7	T516 K517 N523 R524	T516-L520 HydrophobicContact CG2-CD1 4.19Å; T516-L520 WeakPolarHBondContact O-CG 3.46Å; T516-L520 PolarHBondContact O-N 3.26Å; K517-L520 PolarHBondContact O-N 3.03Å; K517-L520 VanDerWaalsContact O-N 3.12Å; L520-N523 PolarHBondContact O-N 2.97Å; L520-R524 VanDerWaalsContact O-CB 3.3Å; L520-R524 WeakPolarHBondContact O-CB 3.39Å; L520-R524 PolarHBondContact O-N 3.06Å
521	E	93.9	Very high	94.3	Very high	104 Å²	104	75.3 Å²	75.3	49%	0.486	36%	0.364	S	S	.	.	H	α-helix	trans	-67.7	-48.4	173.7	-70.1	170.6	177.9	0	0	111.3	K517 H519 N523 R524 E525	K517-E521 WeakPolarHBondContact CE-OE1 3.37Å; K517-E521 WeakPolarHBondContact CG-OE1 3.45Å; K517-E521 WeakPolarHBondContact O-CG 3.07Å; K517-E521 PolarHBondContact O-N 3.05Å; H519-E521 VanDerWaalsContact C-N 3.33Å; E521-N523 VanDerWaalsContact C-N 3.26Å; E521-N523 PolarHBondContact O-N 2.9Å; E521-R524 PolarHBondContact O-N 2.98Å; E521-R524 VanDerWaalsContact O-N 3.15Å; E521-E525 PolarHBondContact O-N 2.69Å
522	E	91.1	Very high	94.3	Very high	54 Å²	54	74.8 Å²	74.8	25%	0.252	36%	0.364	S	S	.	.	H	α-helix	trans	-53.3	-40.9	172.3	-78.1	173.7	-176.1	0	0	112	R449 T518 H519 L526	R449-E522 IonicContact CZ-OE1 2.63Å; R449-E522 IonicContact NH1-OE1 2.81Å; R449-E522 PolarHBondContact NH1-OE1 3.24Å; R449-E522 IonicContact NH2-OE1 2.72Å; T518-E522 WeakPolarHBondContact O-CB 3.45Å; T518-E522 VanDerWaalsContact O-CG 3.29Å; T518-E522 WeakPolarHBondContact O-CG 3.5Å; T518-E522 PolarHBondContact O-N 3.41Å; H519-E522 PolarHBondContact O-N 3.32Å; E522-L526 WeakPolarHBondContact O-CG 3.45Å; E522-L526 PolarHBondContact O-N 3.27Å
523	N	91.3	Very high	94.5	Very high	51 Å²	51	72.9 Å²	72.9	27%	0.273	36%	0.357	S	S	.	.	H	α-helix	trans	-72.8	-39.5	178	-72.2	-12.9	0	0	0	112.7	H519 L520 E521 E525 L526 S527	H519-N523 VanDerWaalsContact CE1-CG 3.45Å; H519-N523 PolarHBondContact CE1-ND2 3.07Å; H519-N523 PolarHBondContact CE1-OD1 3.36Å; H519-N523 PolarHBondContact NE2-ND2 3.2Å; H519-N523 WeakPolarHBondContact O-CB 3.46Å; H519-N523 VanDerWaalsContact O-CG 3.22Å; H519-N523 PolarHBondContact O-N 3.09Å; H519-N523 PolarHBondContact O-ND2 3.11Å; L520-N523 PolarHBondContact O-N 2.97Å; E521-N523 VanDerWaalsContact C-N 3.26Å; E521-N523 PolarHBondContact O-N 2.9Å; N523-E525 VanDerWaalsContact C-N 3.33Å; N523-E525 PolarHBondContact O-N 3.46Å; N523-L526 CarbonylContact O-C 3.43Å; N523-L526 PolarHBondContact O-N 3.15Å; N523-L526 VanDerWaalsContact O-N 3.14Å; N523-S527 PolarHBondContact O-N 3.46Å
524	R	92.3	Very high	94.6	Very high	200 Å²	200	67 Å²	67	76%	0.755	33%	0.331	S	S	*	.	H	α-helix	trans	-66.9	-32.5	-179.9	-174.5	-179.8	-178.1	-174.1	1.7	112.6	L520 E521 S527	L520-R524 VanDerWaalsContact O-CB 3.3Å; L520-R524 WeakPolarHBondContact O-CB 3.39Å; L520-R524 PolarHBondContact O-N 3.06Å; E521-R524 PolarHBondContact O-N 2.98Å; E521-R524 VanDerWaalsContact O-N 3.15Å; R524-S527 PolarHBondContact O-OG 3.35Å; R524-S527 VanDerWaalsContact O-OG 3.14Å
525	E	91.8	Very high	94.7	Very high	119 Å²	119	62.9 Å²	62.9	56%	0.556	31%	0.309	S	S	*	.	H	α-helix	trans	-62.1	-48.9	167.7	-72.3	-171.7	173.9	0	0	111.6	E521 N523 S527 N528 K620	E521-E525 PolarHBondContact O-N 2.69Å; N523-E525 VanDerWaalsContact C-N 3.33Å; N523-E525 PolarHBondContact O-N 3.46Å; E525-S527 VanDerWaalsContact C-N 3.25Å; E525-S527 PolarHBondContact O-N 2.84Å; E525-N528 WeakPolarHBondContact O-CB 3.33Å; E525-N528 PolarHBondContact O-N 3.01Å; E525-K620 IonicContact OE2-NZ 3.4Å; E525-K620 PolarHBondContact OE2-NZ 2.86Å
526	L	92.2	Very high	94.9	Very high	34 Å²	34	62.2 Å²	62.2	18%	0.178	31%	0.306	C	S	.	.	H	α-helix	trans	-70.6	-20.1	-176	-70.5	171.8	0	0	0	113.1	E522 N523 N528 T566 K620	E522-L526 WeakPolarHBondContact O-CG 3.45Å; E522-L526 PolarHBondContact O-N 3.27Å; N523-L526 CarbonylContact O-C 3.43Å; N523-L526 PolarHBondContact O-N 3.15Å; N523-L526 VanDerWaalsContact O-N 3.14Å; L526-N528 VanDerWaalsContact C-N 3.3Å; L526-T566 HydrophobicContact CB-CG2 3.83Å; L526-K620 HydrophobicContact CD2-CD 4.14Å
527	S	94.4	Very high	94.9	Very high	47 Å²	47	61.6 Å²	61.6	33%	0.329	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	2.6	176.4	72.7	0	0	0	0	114.2	N523 R524 E525 T568	N523-S527 PolarHBondContact O-N 3.46Å; R524-S527 PolarHBondContact O-OG 3.35Å; R524-S527 VanDerWaalsContact O-OG 3.14Å; E525-S527 VanDerWaalsContact C-N 3.25Å; E525-S527 PolarHBondContact O-N 2.84Å; S527-T568 VanDerWaalsContact CA-CG2 3.47Å; S527-T568 WeakPolarHBondContact O-CG2 3.22Å
528	N	95.4	Very high	94.9	Very high	63 Å²	63	57.9 Å²	57.9	34%	0.337	29%	0.291	S	S	.	.			trans	-80.7	129.2	-176.4	-165.9	-42.2	0	0	0	111.8	E525 L526 T530 K531	E525-N528 WeakPolarHBondContact O-CB 3.33Å; E525-N528 PolarHBondContact O-N 3.01Å; L526-N528 VanDerWaalsContact C-N 3.3Å; N528-T530 PolarHBondContact OD1-N 2.8Å; N528-T530 PolarHBondContact OD1-OG1 3.5Å; N528-K531 HydrophobicContact CB-CB 4.44Å; N528-K531 PolarHBondContact OD1-N 3.39Å
529	L	95.8	Very high	94.8	Very high	52 Å²	52	57.6 Å²	57.6	27%	0.272	29%	0.289	S	S	.	.	S	Bend	trans	-97.5	3.6	-176.9	-65.1	179.3	0	0	0	114.6	V533 T568 Q570 M588	L529-V533 WeakPolarHBondContact O-CG2 3.24Å; L529-T568 HydrophobicContact CD2-CG2 4.24Å; L529-Q570 HydrophobicContact CD2-CB 3.85Å; L529-M588 HydrophobicContact CD2-CE 4.34Å
530	T	97.1	Very high	95	Very high	61 Å²	61	57.6 Å²	57.6	37%	0.374	29%	0.289	S	S	.	.	S	Bend	trans	-128.5	-14.6	172.5	61.2	0	0	0	0	114.2	N528 D627 I628	N528-T530 PolarHBondContact OD1-N 2.8Å; N528-T530 PolarHBondContact OD1-OG1 3.5Å; T530-D627 WeakPolarHBondContact O-CA 3.38Å; T530-I628 PolarHBondContact O-N 3.22Å
531	K	96.8	Very high	95.2	Very high	97 Å²	97	52.9 Å²	52.9	42%	0.422	27%	0.265	S	S	.	.	S	Bend	trans	-120.5	135.5	176.5	-66.9	-60.5	-165.5	-178.7	0	111.8	N528 V533 D627	N528-K531 HydrophobicContact CB-CB 4.44Å; N528-K531 PolarHBondContact OD1-N 3.39Å; K531-V533 PolarHBondContact O-N 2.83Å; K531-V533 VanDerWaalsContact O-N 3.13Å; K531-D627 VanDerWaalsContact CA-OD1 3.31Å; K531-D627 WeakPolarHBondContact CA-OD1 3.35Å; K531-D627 HydrophobicContact CD-CB 3.96Å; K531-D627 WeakPolarHBondContact CD-OD1 3.25Å; K531-D627 VanDerWaalsContact CD-OD2 3.3Å; K531-D627 WeakPolarHBondContact CD-OD2 3.3Å; K531-D627 IonicContact NZ-OD2 3.37Å; K531-D627 PolarHBondContact NZ-OD2 2.89Å
532	N	96.5	Very high	95.3	Very high	76 Å²	76	48.3 Å²	48.3	41%	0.406	24%	0.244	S	C	.	.	S	Bend	trans	50	30.7	-177.9	-73.2	-75.8	0	0	0	114.9	T625 A626 D627	N532-T625 WeakPolarHBondContact O-CG2 3.29Å; N532-A626 CarbonylContact C-O 3.34Å; N532-A626 PolarHBondContact N-O 3.38Å; N532-D627 PolarHBondContact N-OD1 2.91Å
533	V	98.1	Very high	95.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	129.5	-177.7	-177.2	0	0	0	0	109.7	L529 K531 I535 M588 T625 A626 I628	L529-V533 WeakPolarHBondContact O-CG2 3.24Å; K531-V533 PolarHBondContact O-N 2.83Å; K531-V533 VanDerWaalsContact O-N 3.13Å; V533-I535 HydrophobicContact CG1-CD1 4.48Å; V533-I535 PolarHBondContact O-N 2.93Å; V533-M588 HydrophobicContact CG1-CE 3.77Å; V533-M588 HydrophobicContact CG1-SD 3.98Å; V533-T625 CarbonylContact O-C 3.6Å; V533-T625 WeakPolarHBondContact O-CA 3.35Å; V533-A626 PolarHBondContact N-O 3.07Å; V533-A626 PolarHBondContact O-N 3.06Å; V533-I628 HydrophobicContact CB-CD1 4.35Å; V533-I628 HydrophobicContact CG1-CD1 4.25Å; V533-I628 HydrophobicContact CG2-CD1 3.89Å; V533-I628 HydrophobicContact CG2-CG1 3.86Å
534	P	98.1	Very high	95.8	Very high	14 Å²	14	46.3 Å²	46.3	9%	0.091	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	128.7	176.8	22.7	-31.5	0	0	0	111.1	M559 F571 G572 Y623	P534-M559 HydrophobicContact CB-CG 3.5Å; P534-M559 HydrophobicContact CB-SD 3.87Å; P534-M559 HydrophobicContact CG-CG 4.49Å; P534-F571 HydrophobicContact CB-CB 4.19Å; P534-F571 HydrophobicContact CG-CB 3.79Å; P534-F571 WeakPolarHBondContact O-CB 3.48Å; P534-G572 PolarHBondContact O-N 2.89Å; P534-Y623 HydrophobicContact CB-CD2 4.27Å; P534-Y623 HydrophobicContact CB-CE2 3.78Å
535	I	98.4	Very high	96	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	116.3	179.2	-53.7	-57.7	0	0	0	110.4	V533 V537 G572 C574 F582 F612 N624 A626	V533-I535 HydrophobicContact CG1-CD1 4.48Å; V533-I535 PolarHBondContact O-N 2.93Å; I535-V537 HydrophobicContact CG2-CG2 3.98Å; I535-G572 CarbonylContact C-O 3.59Å; I535-G572 WeakPolarHBondContact CA-O 2.98Å; I535-C574 HydrophobicContact CG2-CB 4.07Å; I535-F582 HydrophobicContact CG1-CE2 4.11Å; I535-F582 HydrophobicContact CG1-CZ 4.21Å; I535-F582 HydrophobicContact CG2-CD2 4.01Å; I535-F582 HydrophobicContact CG2-CE2 4.1Å; I535-F582 HydrophobicContact CG2-CG 4.33Å; I535-F612 HydrophobicContact CD1-CE2 4.27Å; I535-F612 HydrophobicContact CD1-CZ 3.94Å; I535-N624 HydrophobicContact CB-CB 4.18Å; I535-N624 PolarHBondContact N-O 3.27Å; I535-A626 HydrophobicContact CD1-CB 4.03Å; I535-A626 HydrophobicContact CG1-CB 3.8Å
536	F	98.3	Very high	96.1	Very high	11 Å²	11	33.4 Å²	33.4	5%	0.048	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	126.7	165.7	-161	-86.5	0	0	0	108.6	C538 L549 V551 Y556 M559 F571 G572 M573 C574	F536-C538 HydrophobicContact CD1-CB 3.67Å; F536-C538 HydrophobicContact CE1-CB 3.51Å; F536-L549 HydrophobicContact CD1-CD1 4.37Å; F536-L549 HydrophobicContact CE1-CD1 4.25Å; F536-L549 HydrophobicContact CZ-CD1 4.41Å; F536-V551 HydrophobicContact CE2-CG1 4.5Å; F536-V551 HydrophobicContact CE2-CG2 3.99Å; F536-V551 HydrophobicContact CZ-CG2 4.32Å; F536-Y556 AromaticContact CD2-CD1 3.58Å; F536-Y556 HydrophobicContact CD2-CD1 3.58Å; F536-Y556 HydrophobicContact CD2-CD2 4.08Å; F536-Y556 AromaticContact CD2-CE1 3.84Å; F536-Y556 HydrophobicContact CD2-CE1 3.84Å; F536-Y556 HydrophobicContact CD2-CE2 4.32Å; F536-Y556 AromaticContact CD2-CG 3.71Å; F536-Y556 HydrophobicContact CD2-CG 3.71Å; F536-Y556 AromaticContact CE2-CD1 3.95Å; F536-Y556 HydrophobicContact CE2-CD1 3.95Å; F536-Y556 AromaticContact CE2-CD2 3.65Å; F536-Y556 HydrophobicContact CE2-CD2 3.65Å; F536-Y556 HydrophobicContact CE2-CE1 4.39Å; F536-Y556 HydrophobicContact CE2-CE2 4.12Å; F536-Y556 AromaticContact CE2-CG 3.55Å; F536-Y556 HydrophobicContact CE2-CG 3.55Å; F536-Y556 HydrophobicContact CG-CD1 4.47Å; F536-Y556 HydrophobicContact CG-CE1 4.31Å; F536-Y556 HydrophobicContact CZ-CD2 4.24Å; F536-Y556 HydrophobicContact CZ-CE2 4.48Å; F536-M559 HydrophobicContact CB-CE 4.24Å; F536-M559 HydrophobicContact CB-SD 4.45Å; F536-M559 HydrophobicContact CD2-CE 3.99Å; F536-M559 HydrophobicContact CD2-SD 4.45Å; F536-F571 HydrophobicContact CB-CD2 3.79Å; F536-F571 HydrophobicContact CB-CE2 3.72Å; F536-F571 HydrophobicContact CG-CE2 4.25Å; F536-G572 PolarHBondContact N-O 3.31Å; F536-M573 HydrophobicContact CB-CE 4.28Å; F536-M573 HydrophobicContact CB-SD 4.38Å; F536-M573 HydrophobicContact CD1-CE 3.48Å; F536-M573 VanDerWaalsContact CD1-CE 3.48Å; F536-M573 HydrophobicContact CD1-SD 3.83Å; F536-M573 HydrophobicContact CE1-CE 4.13Å; F536-M573 HydrophobicContact CG-CE 4.19Å; F536-M573 WeakPolarHBondContact O-CA 3.49Å; F536-C574 PolarHBondContact O-N 3.31Å; F536-C574 VanDerWaalsContact O-N 3.09Å
537	V	97.1	Very high	96.3	Very high	19 Å²	19	32.5 Å²	32.5	12%	0.115	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	108.1	-177.7	-176	0	0	0	0	109.3	I535 Y556 C574 F582 N624	I535-V537 HydrophobicContact CG2-CG2 3.98Å; V537-Y556 PolarHBondContact N-OH 3.06Å; V537-C574 WeakPolarHBondContact CA-O 3.47Å; V537-F582 HydrophobicContact CG1-CB 4.05Å; V537-F582 HydrophobicContact CG2-CB 3.69Å; V537-F582 HydrophobicContact CG2-CD1 4.24Å; V537-F582 HydrophobicContact CG2-CG 4.14Å; V537-N624 VanDerWaalsContact CG2-ND2 3.34Å; V537-N624 WeakPolarHBondContact CG2-ND2 3.32Å
538	C	94.8	Very high	96.3	Very high	35 Å²	35	34.6 Å²	34.6	24%	0.236	20%	0.198	C	C	.	.	S	Bend	trans	-156.8	-65.3	-175.2	-163.5	0	0	0	0	114.3	V374 F536 M573 C574	V374-C538 VanDerWaalsContact CG1-SG 3.55Å; F536-C538 HydrophobicContact CD1-CB 3.67Å; F536-C538 HydrophobicContact CE1-CB 3.51Å; C538-M573 HydrophobicContact CB-CE 4.45Å; C538-M573 HydrophobicContact CB-SD 3.97Å; C538-C574 PolarHBondContact N-O 2.91Å
539	T	93.4	Very high	96.4	Very high	46 Å²	46	32.3 Å²	32.3	28%	0.282	19%	0.186	S	C	.	.	S	Bend	trans	-145.6	168.8	-167.7	-170.7	0	0	0	0	111.5	M573 I575	T539-M573 HydrophobicContact CG2-SD 4.4Å; T539-M573 VanDerWaalsContact O-CG 3.26Å; T539-M573 WeakPolarHBondContact O-CG 3.24Å; T539-I575 VanDerWaalsContact C-CG2 3.43Å
540	M	94.9	Very high	96.4	Very high	20 Å²	20	32.8 Å²	32.8	10%	0.099	19%	0.186	C	C	.	.			trans	-66.6	139.8	169.4	-71.4	-59.8	-65.5	0	0	110.4	Y542 I575 P706 Q709 L710 L713	M540-Y542 HydrophobicContact CB-CE2 3.96Å; M540-Y542 HydrophobicContact CE-CE1 3.92Å; M540-I575 HydrophobicContact CB-CG2 4.47Å; M540-I575 HydrophobicContact CG-CG2 3.75Å; M540-I575 HydrophobicContact SD-CD1 4.05Å; M540-I575 HydrophobicContact SD-CG1 4.24Å; M540-I575 HydrophobicContact SD-CG2 3.61Å; M540-P706 HydrophobicContact CG-CB 4.37Å; M540-Q709 HydrophobicContact CE-CB 4.07Å; M540-Q709 HydrophobicContact CG-CB 4.27Å; M540-L710 HydrophobicContact CE-CB 4.35Å; M540-L710 HydrophobicContact CE-CD1 4.37Å; M540-L710 HydrophobicContact SD-CB 4.29Å; M540-L710 HydrophobicContact SD-CD1 4.24Å; M540-L713 HydrophobicContact CE-CB 4.1Å; M540-L713 HydrophobicContact CE-CD2 3.78Å; M540-L713 HydrophobicContact CE-CG 4.46Å
541	A	96.7	Very high	96.4	Very high	7 Å²	7	30 Å²	30	6%	0.058	17%	0.169	C	C	.	.			trans	-133.3	149.1	170	0	0	0	0	0	109.2	M573 C587 L589	A541-M573 HydrophobicContact CB-CB 3.98Å; A541-M573 HydrophobicContact CB-CG 3.77Å; A541-C587 HydrophobicContact CB-CB 4.1Å; A541-C587 VanDerWaalsContact O-CB 3.27Å; A541-C587 WeakPolarHBondContact O-CB 3.38Å; A541-L589 HydrophobicContact CB-CD2 3.81Å; A541-L589 HydrophobicContact CB-CG 4.44Å
542	Y	97.3	Very high	96.3	Very high	9 Å²	9	28.8 Å²	28.8	4%	0.035	16%	0.164	C	C	.	.			trans	-134.1	149.2	-172.8	-53	-85	0	0	0	110.9	M540 V545 G608 W696 L699 A700 Q709 L713	M540-Y542 HydrophobicContact CB-CE2 3.96Å; M540-Y542 HydrophobicContact CE-CE1 3.92Å; Y542-V545 PolarHBondContact O-N 2.83Å; Y542-G608 WeakPolarHBondContact O-CA 3.29Å; Y542-W696 AromaticContact CD1-CE3 3.91Å; Y542-W696 HydrophobicContact CD1-CE3 3.91Å; Y542-W696 HydrophobicContact CD1-CZ3 4.38Å; Y542-L699 HydrophobicContact CD1-CB 4.25Å; Y542-L699 HydrophobicContact CE1-CB 3.89Å; Y542-L699 PolarHBondContact OH-O 2.9Å; Y542-A700 HydrophobicContact CD2-CB 3.7Å; Y542-A700 HydrophobicContact CE2-CB 3.81Å; Y542-Q709 VanDerWaalsContact OH-CB 3.29Å; Y542-Q709 WeakPolarHBondContact OH-CB 3.36Å; Y542-Q709 WeakPolarHBondContact OH-CG 3.3Å; Y542-Q709 PolarHBondContact OH-NE2 2.97Å; Y542-Q709 VanDerWaalsContact OH-NE2 3.1Å; Y542-Q709 PolarHBondContact OH-OE1 2.69Å; Y542-L713 HydrophobicContact CD1-CD1 3.89Å; Y542-L713 HydrophobicContact CE1-CD1 4.45Å
543	P	97.4	Very high	96.1	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.013	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	140.5	172.1	-26.5	34.1	0	0	0	112.3	V545 G609 R611 N690 W696	P543-V545 PolarHBondContact O-N 3.47Å; P543-G609 WeakPolarHBondContact CB-O 3.25Å; P543-G609 WeakPolarHBondContact CG-O 3.45Å; P543-R611 HydrophobicContact CG-CG 3.66Å; P543-N690 HydrophobicContact CB-CB 3.92Å; P543-N690 HydrophobicContact CG-CB 3.82Å; P543-W696 HydrophobicContact CB-CD2 4.39Å; P543-W696 HydrophobicContact CB-CG 4.09Å; P543-W696 HydrophobicContact CG-CD2 4.02Å; P543-W696 HydrophobicContact CG-CG 4.24Å; P543-W696 HydrophobicContact CG-CZ2 4.31Å; P543-W696 VanDerWaalsContact O-CB 3.24Å; P543-W696 WeakPolarHBondContact O-CB 3.33Å
544	T	95.2	Very high	95.9	Very high	60 Å²	60	28.7 Å²	28.7	37%	0.368	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	-14.7	-178.3	72.9	0	0	0	0	116.9	I607 G608 A693	T544-I607 WeakPolarHBondContact O-CD1 3.47Å; T544-I607 WeakPolarHBondContact O-CG1 3.46Å; T544-G608 PolarHBondContact N-O 2.93Å; T544-A693 HydrophobicContact CG2-CB 4.07Å; T544-A693 WeakPolarHBondContact OG1-CB 3.44Å
545	V	95.7	Very high	95.7	Very high	10 Å²	10	31.8 Å²	31.8	6%	0.061	18%	0.175	C	C	.	.			trans	-81.6	132.9	-177.4	-178.1	0	0	0	0	111.1	Y542 P543 G608 F675 W696 A700	Y542-V545 PolarHBondContact O-N 2.83Å; P543-V545 PolarHBondContact O-N 3.47Å; V545-G608 PolarHBondContact O-N 3.5Å; V545-F675 HydrophobicContact CG1-CD1 3.92Å; V545-F675 HydrophobicContact CG1-CE1 4.36Å; V545-W696 HydrophobicContact CG2-CB 4.25Å; V545-A700 HydrophobicContact CG1-CB 3.97Å; V545-A700 HydrophobicContact CG2-CB 4.23Å
546	P	95.4	Very high	95.6	Very high	38 Å²	38	32.1 Å²	32.1	25%	0.247	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-63	140.8	172.2	-23.3	34.7	0	0	0	113	T606	P546-T606 CarbonylContact C-O 3.6Å; P546-T606 WeakPolarHBondContact CA-O 3.42Å
547	C	95.3	Very high	95.4	Very high	15 Å²	15	32.7 Å²	32.7	10%	0.101	18%	0.178	C	C	.	.			trans	-137.5	82.5	176.2	-165.7	0	0	0	0	110.5	L589 T606	C547-L589 HydrophobicContact CB-CD1 4.22Å; C547-L589 HydrophobicContact CB-CD2 3.86Å; C547-T606 WeakPolarHBondContact CB-OG1 3.35Å; C547-T606 PolarHBondContact N-O 3.26Å; C547-T606 PolarHBondContact O-OG1 3.45Å
548	P	95.2	Very high	95.2	Very high	92 Å²	92	32.1 Å²	32.1	60%	0.597	17%	0.174	S	C	*	.			trans	-76	127.2	178	29.8	-33.6	0	0	0	111.2	V604	P548-V604 WeakPolarHBondContact CA-O 3.46Å
549	L	96.4	Very high	95.3	Very high	14 Å²	14	30.5 Å²	30.5	7%	0.073	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	141.8	-175.7	-56.5	178.5	0	0	0	112	F536 V551 F571 M573 L589 V603 V604	F536-L549 HydrophobicContact CD1-CD1 4.37Å; F536-L549 HydrophobicContact CE1-CD1 4.25Å; F536-L549 HydrophobicContact CZ-CD1 4.41Å; L549-V551 HydrophobicContact CB-CG2 4.1Å; L549-F571 HydrophobicContact CD1-CE2 4.04Å; L549-F571 HydrophobicContact CD1-CZ 3.76Å; L549-M573 HydrophobicContact CD1-CE 3.74Å; L549-M573 HydrophobicContact CD2-CE 3.87Å; L549-M573 HydrophobicContact CG-CE 4.44Å; L549-L589 HydrophobicContact CD1-CD1 4.26Å; L549-V603 CarbonylContact O-C 3.53Å; L549-V603 WeakPolarHBondContact O-CA 3.49Å; L549-V604 HydrophobicContact CB-CB 4.46Å; L549-V604 PolarHBondContact N-O 2.9Å; L549-V604 PolarHBondContact O-N 3.48Å
550	H	96.1	Very high	95.4	Very high	62 Å²	62	28.3 Å²	28.3	29%	0.287	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	104.7	166	168.8	-118.4	0	0	0	108.8	F552 R601 S602	H550-F552 AromaticContact CE1-CD1 3.86Å; H550-F552 AromaticContact ND1-CD1 3.79Å; H550-R601 PolarHBondContact NE2-NH1 3.26Å; H550-S602 CarbonylContact C-O 3.58Å
551	V	96.4	Very high	95.2	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.012	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	111.6	-173	179.9	0	0	0	0	109.6	F536 L549 R557 I560 R601 S602 V604	F536-V551 HydrophobicContact CE2-CG1 4.5Å; F536-V551 HydrophobicContact CE2-CG2 3.99Å; F536-V551 HydrophobicContact CZ-CG2 4.32Å; L549-V551 HydrophobicContact CB-CG2 4.1Å; V551-R557 HydrophobicContact CG1-CG 4.46Å; V551-I560 HydrophobicContact CG1-CG1 4.21Å; V551-I560 HydrophobicContact CG2-CG1 4.18Å; V551-R601 WeakPolarHBondContact O-CA 3.44Å; V551-S602 PolarHBondContact N-O 2.82Å; V551-S602 PolarHBondContact O-N 3.34Å; V551-V604 HydrophobicContact CB-CG2 4.49Å; V551-V604 HydrophobicContact CG2-CG2 3.91Å
552	F	94.6	Very high	95	Very high	72 Å²	72	28.2 Å²	28.2	32%	0.316	15%	0.147	S	C	.	.			trans	-121.7	-25.5	-176.8	62.7	-90.2	0	0	0	114.7	H550 R601	H550-F552 AromaticContact CE1-CD1 3.86Å; H550-F552 AromaticContact ND1-CD1 3.79Å; F552-R601 HydrophobicContact CB-CG 3.79Å
553	E	94.2	Very high	94.9	Very high	32 Å²	32	28 Å²	28	15%	0.15	15%	0.147	C	C	.	.	S	Bend	trans	-67.2	133.1	178	-61.8	-176.7	-150.7	0	0	111.5	R555 Y556 R557	E553-R555 VanDerWaalsContact C-N 3.34Å; E553-R555 HydrophobicContact CB-CG 4.29Å; E553-R555 PolarHBondContact O-N 3.15Å; E553-R555 IonicContact OE1-NH2 2.69Å; E553-R555 IonicContact OE2-CZ 3.73Å; E553-R555 IonicContact OE2-NE 2.73Å; E553-R555 PolarHBondContact OE2-NE 3.38Å; E553-R555 IonicContact OE2-NH2 2.64Å; E553-R555 PolarHBondContact OE2-NH2 2.94Å; E553-Y556 HydrophobicContact CB-CD2 3.95Å; E553-Y556 HydrophobicContact CG-CD2 4.29Å; E553-Y556 PolarHBondContact O-N 3.49Å; E553-R557 PolarHBondContact O-N 3.34Å
554	P	92.5	Very high	94.8	Very high	43 Å²	43	30.3 Å²	30.3	28%	0.279	16%	0.158	S	C	.	.	H	α-helix	trans	-48	-46.7	179.7	-34.6	38.5	0	0	0	115.4	D473 H474 Y556 R557 L558	D473-P554 WeakPolarHBondContact O-CA 3.48Å; D473-P554 WeakPolarHBondContact O-CB 3.45Å; D473-P554 WeakPolarHBondContact O-CG 3.49Å; H474-P554 WeakPolarHBondContact ND1-CB 3.33Å; P554-Y556 VanDerWaalsContact C-N 3.29Å; P554-Y556 PolarHBondContact O-N 3.41Å; P554-R557 WeakPolarHBondContact O-CB 3.23Å; P554-R557 PolarHBondContact O-N 2.73Å; P554-L558 PolarHBondContact O-N 3.48Å
555	R	94.3	Very high	94.6	Very high	79 Å²	79	31.9 Å²	31.9	30%	0.298	16%	0.164	S	C	.	.	H	α-helix	trans	-59.5	-37.1	178.6	59.2	172.6	175.2	172.8	0.6	113.1	E553 M559 G622 Y623	E553-R555 VanDerWaalsContact C-N 3.34Å; E553-R555 HydrophobicContact CB-CG 4.29Å; E553-R555 PolarHBondContact O-N 3.15Å; E553-R555 IonicContact OE1-NH2 2.69Å; E553-R555 IonicContact OE2-CZ 3.73Å; E553-R555 IonicContact OE2-NE 2.73Å; E553-R555 PolarHBondContact OE2-NE 3.38Å; E553-R555 IonicContact OE2-NH2 2.64Å; E553-R555 PolarHBondContact OE2-NH2 2.94Å; R555-M559 WeakPolarHBondContact O-CB 3.3Å; R555-M559 PolarHBondContact O-N 3.5Å; R555-G622 WeakPolarHBondContact CD-O 3.05Å; R555-G622 PolarHBondContact NH1-O 2.84Å; R555-Y623 WeakPolarHBondContact O-CD1 3.3Å
556	Y	95.8	Very high	94.4	Very high	7 Å²	7	32.9 Å²	32.9	3%	0.027	17%	0.17	C	C	.	.	H	α-helix	trans	-85.5	-26.8	-179.5	-66.7	-48.3	0	0	0	112.2	F536 V537 E553 P554 L558 M559 I560	F536-Y556 AromaticContact CD2-CD1 3.58Å; F536-Y556 HydrophobicContact CD2-CD1 3.58Å; F536-Y556 HydrophobicContact CD2-CD2 4.08Å; F536-Y556 AromaticContact CD2-CE1 3.84Å; F536-Y556 HydrophobicContact CD2-CE1 3.84Å; F536-Y556 HydrophobicContact CD2-CE2 4.32Å; F536-Y556 AromaticContact CD2-CG 3.71Å; F536-Y556 HydrophobicContact CD2-CG 3.71Å; F536-Y556 AromaticContact CE2-CD1 3.95Å; F536-Y556 HydrophobicContact CE2-CD1 3.95Å; F536-Y556 AromaticContact CE2-CD2 3.65Å; F536-Y556 HydrophobicContact CE2-CD2 3.65Å; F536-Y556 HydrophobicContact CE2-CE1 4.39Å; F536-Y556 HydrophobicContact CE2-CE2 4.12Å; F536-Y556 AromaticContact CE2-CG 3.55Å; F536-Y556 HydrophobicContact CE2-CG 3.55Å; F536-Y556 HydrophobicContact CG-CD1 4.47Å; F536-Y556 HydrophobicContact CG-CE1 4.31Å; F536-Y556 HydrophobicContact CZ-CD2 4.24Å; F536-Y556 HydrophobicContact CZ-CE2 4.48Å; V537-Y556 PolarHBondContact N-OH 3.06Å; E553-Y556 HydrophobicContact CB-CD2 3.95Å; E553-Y556 HydrophobicContact CG-CD2 4.29Å; E553-Y556 PolarHBondContact O-N 3.49Å; P554-Y556 VanDerWaalsContact C-N 3.29Å; P554-Y556 PolarHBondContact O-N 3.41Å; Y556-L558 VanDerWaalsContact C-N 3.35Å; Y556-M559 HydrophobicContact CD1-CB 4.47Å; Y556-M559 HydrophobicContact CD1-SD 3.83Å; Y556-M559 HydrophobicContact CE1-SD 4.29Å; Y556-M559 WeakPolarHBondContact O-CB 3.49Å; Y556-M559 PolarHBondContact O-N 2.9Å; Y556-I560 WeakPolarHBondContact O-CG1 3.34Å; Y556-I560 PolarHBondContact O-N 2.85Å
557	R	94.5	Very high	94.4	Very high	23 Å²	23	33.6 Å²	33.6	9%	0.087	18%	0.184	C	C	.	.	H	α-helix	trans	-58.8	-47.8	166	-69.4	166.1	45.7	149.8	3.4	110.8	L472 D473 V551 E553 P554 I560 R561 D599 G600	L472-R557 PolarHBondContact O-NH2 3.26Å; D473-R557 WeakPolarHBondContact OD1-CB 3.49Å; D473-R557 IonicContact OD1-CZ 3.01Å; D473-R557 IonicContact OD1-NE 2.72Å; D473-R557 PolarHBondContact OD1-NE 3.14Å; D473-R557 IonicContact OD1-NH2 2.78Å; D473-R557 PolarHBondContact OD1-NH2 3.2Å; D473-R557 VanDerWaalsContact OD1-NH2 3.08Å; V551-R557 HydrophobicContact CG1-CG 4.46Å; E553-R557 PolarHBondContact O-N 3.34Å; P554-R557 WeakPolarHBondContact O-CB 3.23Å; P554-R557 PolarHBondContact O-N 2.73Å; R557-I560 PolarHBondContact O-N 2.93Å; R557-R561 WeakPolarHBondContact O-CB 3.22Å; R557-R561 PolarHBondContact O-N 2.63Å; R557-D599 PolarHBondContact NH1-O 2.9Å; R557-G600 PolarHBondContact NE-O 3.27Å; R557-G600 VanDerWaalsContact NE-O 3.16Å
558	L	93.6	Very high	94.4	Very high	7 Å²	7	34 Å²	34	4%	0.037	19%	0.186	C	C	.	.	H	α-helix	trans	-60.3	-44.7	172.9	175.7	59.6	0	0	0	112.1	R470 P554 Y556 R561 R562 D621	R470-L558 HydrophobicContact CG-CD1 3.83Å; R470-L558 HydrophobicContact CG-CD2 4.49Å; P554-L558 PolarHBondContact O-N 3.48Å; Y556-L558 VanDerWaalsContact C-N 3.35Å; L558-R561 PolarHBondContact O-N 3.31Å; L558-R562 HydrophobicContact CD1-CG 4.21Å; L558-R562 WeakPolarHBondContact O-CB 3.48Å; L558-R562 WeakPolarHBondContact O-CG 3.18Å; L558-R562 PolarHBondContact O-N 2.91Å; L558-D621 HydrophobicContact CD2-CB 3.74Å
559	M	95.6	Very high	94.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-58.1	-52	177.5	-169.4	-156.8	84.3	0	0	111.9	P534 F536 R555 Y556 R561 R562 C563 F571 Y623	P534-M559 HydrophobicContact CB-CG 3.5Å; P534-M559 HydrophobicContact CB-SD 3.87Å; P534-M559 HydrophobicContact CG-CG 4.49Å; F536-M559 HydrophobicContact CB-CE 4.24Å; F536-M559 HydrophobicContact CB-SD 4.45Å; F536-M559 HydrophobicContact CD2-CE 3.99Å; F536-M559 HydrophobicContact CD2-SD 4.45Å; R555-M559 WeakPolarHBondContact O-CB 3.3Å; R555-M559 PolarHBondContact O-N 3.5Å; Y556-M559 HydrophobicContact CD1-CB 4.47Å; Y556-M559 HydrophobicContact CD1-SD 3.83Å; Y556-M559 HydrophobicContact CE1-SD 4.29Å; Y556-M559 WeakPolarHBondContact O-CB 3.49Å; Y556-M559 PolarHBondContact O-N 2.9Å; M559-R561 PolarHBondContact O-N 3.25Å; M559-R562 PolarHBondContact O-N 3.3Å; M559-C563 PolarHBondContact O-N 2.84Å; M559-C563 VanDerWaalsContact O-N 3.09Å; M559-C563 PolarHBondContact O-SG 3.15Å; M559-F571 HydrophobicContact CE-CB 3.92Å; M559-F571 HydrophobicContact CE-CD1 4.04Å; M559-F571 HydrophobicContact CE-CD2 3.58Å; M559-F571 HydrophobicContact CE-CE1 4.47Å; M559-F571 HydrophobicContact CE-CE2 4.05Å; M559-F571 HydrophobicContact CE-CG 3.58Å; M559-F571 HydrophobicContact CE-CZ 4.48Å; M559-Y623 HydrophobicContact CB-CD1 3.9Å; M559-Y623 HydrophobicContact CB-CD2 4.28Å; M559-Y623 HydrophobicContact CB-CE1 4.01Å; M559-Y623 HydrophobicContact CB-CE2 4.41Å; M559-Y623 HydrophobicContact CB-CG 4.04Å; M559-Y623 HydrophobicContact CG-CD1 4.34Å; M559-Y623 HydrophobicContact CG-CD2 3.82Å; M559-Y623 HydrophobicContact CG-CE1 4.36Å; M559-Y623 HydrophobicContact CG-CE2 3.88Å; M559-Y623 HydrophobicContact CG-CG 4.08Å; M559-Y623 HydrophobicContact SD-CD2 4.34Å
560	I	95.4	Very high	94.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.3	-44.1	178.5	-67.7	-64.3	0	0	0	110.8	V551 Y556 R557 R562 C563 M564 F571 V594 V604	V551-I560 HydrophobicContact CG1-CG1 4.21Å; V551-I560 HydrophobicContact CG2-CG1 4.18Å; Y556-I560 WeakPolarHBondContact O-CG1 3.34Å; Y556-I560 PolarHBondContact O-N 2.85Å; R557-I560 PolarHBondContact O-N 2.93Å; I560-R562 PolarHBondContact O-N 2.73Å; I560-C563 WeakPolarHBondContact O-CB 3.24Å; I560-C563 PolarHBondContact O-N 3.24Å; I560-C563 VanDerWaalsContact O-N 3.14Å; I560-M564 WeakPolarHBondContact O-CG 3.36Å; I560-M564 PolarHBondContact O-N 3.11Å; I560-M564 VanDerWaalsContact O-N 3.15Å; I560-F571 HydrophobicContact CD1-CD1 3.99Å; I560-F571 HydrophobicContact CD1-CE1 3.51Å; I560-F571 HydrophobicContact CD1-CZ 3.92Å; I560-V594 HydrophobicContact CG2-CG1 4.34Å; I560-V594 HydrophobicContact CG2-CG2 4.31Å; I560-V604 HydrophobicContact CD1-CG1 4.24Å; I560-V604 HydrophobicContact CD1-CG2 4.11Å; I560-V604 HydrophobicContact CG1-CG2 4.14Å; I560-V604 HydrophobicContact CG2-CG2 3.96Å
561	R	91.9	Very high	94.7	Very high	11 Å²	11	34.5 Å²	34.5	4%	0.042	18%	0.175	C	C	.	.	H	α-helix	trans	-58.9	-47.5	177.5	-177.4	165.3	59.8	86.4	-11.8	111.3	E469 D473 R557 L558 M559 C563 M564 D565	E469-R561 VanDerWaalsContact C-NH2 3.34Å; E469-R561 VanDerWaalsContact CB-CZ 3.46Å; E469-R561 VanDerWaalsContact CB-NH2 3.3Å; E469-R561 IonicContact OE2-CZ 2.68Å; E469-R561 IonicContact OE2-NH1 2.65Å; E469-R561 PolarHBondContact OE2-NH1 3.28Å; D473-R561 IonicContact OD2-CZ 3.44Å; D473-R561 IonicContact OD2-NE 3.66Å; D473-R561 PolarHBondContact OD2-NE 2.85Å; D473-R561 VanDerWaalsContact OD2-NE 3.11Å; D473-R561 IonicContact OD2-NH2 3.5Å; D473-R561 PolarHBondContact OD2-NH2 3.36Å; R557-R561 WeakPolarHBondContact O-CB 3.22Å; R557-R561 PolarHBondContact O-N 2.63Å; L558-R561 PolarHBondContact O-N 3.31Å; M559-R561 PolarHBondContact O-N 3.25Å; R561-C563 VanDerWaalsContact C-N 3.3Å; R561-C563 PolarHBondContact O-N 3.11Å; R561-M564 WeakPolarHBondContact O-CA 3.44Å; R561-M564 WeakPolarHBondContact O-CB 3.46Å; R561-M564 PolarHBondContact O-N 3.05Å; R561-D565 VanDerWaalsContact CG-OD2 3.29Å; R561-D565 WeakPolarHBondContact CG-OD2 3.49Å; R561-D565 IonicContact NH1-OD2 3.45Å; R561-D565 PolarHBondContact O-N 3.4Å
562	R	93.1	Very high	94.8	Very high	15 Å²	15	34.4 Å²	34.4	6%	0.057	17%	0.174	C	C	.	.	H	α-helix	trans	-55.8	-40	173.1	-75.8	173.2	171.4	176.8	-1.6	113.6	L558 M559 I560 M564 D565 T566 D621 Y623	L558-R562 HydrophobicContact CD1-CG 4.21Å; L558-R562 WeakPolarHBondContact O-CB 3.48Å; L558-R562 WeakPolarHBondContact O-CG 3.18Å; L558-R562 PolarHBondContact O-N 2.91Å; M559-R562 PolarHBondContact O-N 3.3Å; I560-R562 PolarHBondContact O-N 2.73Å; R562-M564 PolarHBondContact O-N 2.8Å; R562-D565 PolarHBondContact O-N 2.7Å; R562-T566 WeakPolarHBondContact O-CB 3.28Å; R562-T566 WeakPolarHBondContact O-CG2 3.24Å; R562-T566 PolarHBondContact O-N 3.5Å; R562-T566 PolarHBondContact O-OG1 2.9Å; R562-D621 IonicContact CZ-OD2 3.56Å; R562-D621 IonicContact NH1-OD2 2.82Å; R562-D621 PolarHBondContact NH1-OD2 2.76Å; R562-D621 VanDerWaalsContact NH2-CG 3.27Å; R562-D621 IonicContact NH2-OD1 3.5Å; R562-D621 IonicContact NH2-OD2 3.34Å; R562-D621 PolarHBondContact NH2-OD2 3.2Å; R562-Y623 WeakPolarHBondContact CD-OH 3.42Å; R562-Y623 PolarHBondContact NH1-OH 2.92Å
563	C	95.2	Very high	95	Very high	4 Å²	4	31 Å²	31	3%	0.027	16%	0.16	C	C	.	.	H	α-helix	trans	-65	-27.7	176.5	-60.3	0	0	0	0	112.5	M559 I560 R561 T568 R569	M559-C563 PolarHBondContact O-N 2.84Å; M559-C563 VanDerWaalsContact O-N 3.09Å; M559-C563 PolarHBondContact O-SG 3.15Å; I560-C563 WeakPolarHBondContact O-CB 3.24Å; I560-C563 PolarHBondContact O-N 3.24Å; I560-C563 VanDerWaalsContact O-N 3.14Å; R561-C563 VanDerWaalsContact C-N 3.3Å; R561-C563 PolarHBondContact O-N 3.11Å; C563-T568 PolarHBondContact O-N 3.44Å; C563-T568 PolarHBondContact O-OG1 3.11Å; C563-R569 WeakPolarHBondContact O-CA 3.32Å; C563-R569 PolarHBondContact O-N 3.23Å
564	M	93.9	Very high	95.2	Very high	50 Å²	50	29.6 Å²	29.6	25%	0.246	15%	0.153	C	C	.	.	H	α-helix	trans	-82.1	-47.4	173.8	-58.7	-56.6	-69.8	0	0	111.4	I560 R561 R562 T566 G567 R569 V591 V594	I560-M564 WeakPolarHBondContact O-CG 3.36Å; I560-M564 PolarHBondContact O-N 3.11Å; I560-M564 VanDerWaalsContact O-N 3.15Å; R561-M564 WeakPolarHBondContact O-CA 3.44Å; R561-M564 WeakPolarHBondContact O-CB 3.46Å; R561-M564 PolarHBondContact O-N 3.05Å; R562-M564 PolarHBondContact O-N 2.8Å; M564-T566 PolarHBondContact O-N 3.08Å; M564-G567 PolarHBondContact O-N 2.64Å; M564-R569 HydrophobicContact SD-CG 4.11Å; M564-V591 HydrophobicContact SD-CB 4.48Å; M564-V591 HydrophobicContact SD-CG1 3.9Å; M564-V594 HydrophobicContact CE-CG2 4.14Å; M564-V594 HydrophobicContact CG-CG2 4.2Å; M564-V594 HydrophobicContact SD-CG2 3.79Å
565	D	90.9	Very high	95.4	Very high	94 Å²	94	28.7 Å²	28.7	50%	0.503	15%	0.146	S	C	.	.	H	α-helix	trans	-63.2	-39	-176.7	-57.6	-15.9	0	0	0	112.3	R561 R562 G567	R561-D565 VanDerWaalsContact CG-OD2 3.29Å; R561-D565 WeakPolarHBondContact CG-OD2 3.49Å; R561-D565 IonicContact NH1-OD2 3.45Å; R561-D565 PolarHBondContact O-N 3.4Å; R562-D565 PolarHBondContact O-N 2.7Å; D565-G567 VanDerWaalsContact C-N 3.26Å; D565-G567 PolarHBondContact O-N 3.2Å
566	T	92.8	Very high	95.5	Very high	30 Å²	30	29.1 Å²	29.1	18%	0.184	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-4.4	175.3	58.6	0	0	0	0	113.7	L526 R562 M564 T568	L526-T566 HydrophobicContact CB-CG2 3.83Å; R562-T566 WeakPolarHBondContact O-CB 3.28Å; R562-T566 WeakPolarHBondContact O-CG2 3.24Å; R562-T566 PolarHBondContact O-N 3.5Å; R562-T566 PolarHBondContact O-OG1 2.9Å; M564-T566 PolarHBondContact O-N 3.08Å; T566-T568 PolarHBondContact O-N 3.48Å; T566-T568 VanDerWaalsContact O-N 3.16Å; T566-T568 PolarHBondContact OG1-OG1 3.42Å
567	G	94.6	Very high	95.4	Very high	53 Å²	53	31 Å²	31	55%	0.546	17%	0.171	S	C	.	.	S	Bend	trans	72.6	-5.7	-178.6	0	0	0	0	0	116	M564 D565 R569	M564-G567 PolarHBondContact O-N 2.64Å; D565-G567 VanDerWaalsContact C-N 3.26Å; D565-G567 PolarHBondContact O-N 3.2Å; G567-R569 VanDerWaalsContact C-N 3.28Å; G567-R569 PolarHBondContact O-N 3.06Å
568	T	96.2	Very high	95.3	Very high	23 Å²	23	35.2 Å²	35.2	14%	0.141	21%	0.211	C	C	.	.			trans	-63	-33.9	-177.6	56.7	0	0	0	0	113.6	S527 L529 C563 T566 Q570	S527-T568 VanDerWaalsContact CA-CG2 3.47Å; S527-T568 WeakPolarHBondContact O-CG2 3.22Å; L529-T568 HydrophobicContact CD2-CG2 4.24Å; C563-T568 PolarHBondContact O-N 3.44Å; C563-T568 PolarHBondContact O-OG1 3.11Å; T566-T568 PolarHBondContact O-N 3.48Å; T566-T568 VanDerWaalsContact O-N 3.16Å; T566-T568 PolarHBondContact OG1-OG1 3.42Å; T568-Q570 WeakPolarHBondContact O-CG 3.39Å; T568-Q570 PolarHBondContact O-N 3.05Å; T568-Q570 VanDerWaalsContact O-N 3.08Å; T568-Q570 PolarHBondContact O-NE2 2.92Å
569	R	97.6	Very high	95.2	Very high	125 Å²	125	43.6 Å²	43.6	47%	0.472	25%	0.25	S	S	.	.			trans	50.2	28.5	-175.5	-63	-173.9	176.8	-147.9	1.8	113.6	C563 M564 G567 V591	C563-R569 WeakPolarHBondContact O-CA 3.32Å; C563-R569 PolarHBondContact O-N 3.23Å; M564-R569 HydrophobicContact SD-CG 4.11Å; G567-R569 VanDerWaalsContact C-N 3.28Å; G567-R569 PolarHBondContact O-N 3.06Å; R569-V591 HydrophobicContact CB-CB 4.22Å; R569-V591 WeakPolarHBondContact O-CB 3.38Å; R569-V591 PolarHBondContact O-N 3.06Å
570	Q	98.1	Very high	95.1	Very high	54 Å²	54	47.9 Å²	47.9	25%	0.252	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	142.2	-170.8	-81.6	168.8	93.8	0	0	112.7	L529 T568 M588 L589 I590	L529-Q570 HydrophobicContact CD2-CB 3.85Å; T568-Q570 WeakPolarHBondContact O-CG 3.39Å; T568-Q570 PolarHBondContact O-N 3.05Å; T568-Q570 VanDerWaalsContact O-N 3.08Å; T568-Q570 PolarHBondContact O-NE2 2.92Å; Q570-M588 HydrophobicContact CB-CE 4.07Å; Q570-L589 WeakPolarHBondContact CA-O 3.39Å; Q570-I590 HydrophobicContact CG-CB 4.38Å; Q570-I590 HydrophobicContact CG-CG1 3.9Å
571	F	98.6	Very high	95.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	156.7	173.3	61.1	-86.3	0	0	0	110.2	P534 F536 L549 M559 I560 L589 V591 T606	P534-F571 HydrophobicContact CB-CB 4.19Å; P534-F571 HydrophobicContact CG-CB 3.79Å; P534-F571 WeakPolarHBondContact O-CB 3.48Å; F536-F571 HydrophobicContact CB-CD2 3.79Å; F536-F571 HydrophobicContact CB-CE2 3.72Å; F536-F571 HydrophobicContact CG-CE2 4.25Å; L549-F571 HydrophobicContact CD1-CE2 4.04Å; L549-F571 HydrophobicContact CD1-CZ 3.76Å; M559-F571 HydrophobicContact CE-CB 3.92Å; M559-F571 HydrophobicContact CE-CD1 4.04Å; M559-F571 HydrophobicContact CE-CD2 3.58Å; M559-F571 HydrophobicContact CE-CE1 4.47Å; M559-F571 HydrophobicContact CE-CE2 4.05Å; M559-F571 HydrophobicContact CE-CG 3.58Å; M559-F571 HydrophobicContact CE-CZ 4.48Å; I560-F571 HydrophobicContact CD1-CD1 3.99Å; I560-F571 HydrophobicContact CD1-CE1 3.51Å; I560-F571 HydrophobicContact CD1-CZ 3.92Å; F571-L589 HydrophobicContact CE1-CB 4.32Å; F571-L589 HydrophobicContact CE2-CB 4.17Å; F571-L589 HydrophobicContact CE2-CD1 3.78Å; F571-L589 HydrophobicContact CE2-CG 4.48Å; F571-L589 HydrophobicContact CZ-CB 4.02Å; F571-L589 HydrophobicContact CZ-CD1 3.91Å; F571-L589 PolarHBondContact N-O 3.47Å; F571-L589 PolarHBondContact O-N 2.92Å; F571-V591 HydrophobicContact CD1-CG2 4.17Å; F571-V591 HydrophobicContact CE1-CG2 3.72Å; F571-T606 HydrophobicContact CE1-CG2 4.15Å; F571-T606 HydrophobicContact CZ-CG2 4.09Å
572	G	98.4	Very high	95.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	143	176.3	0	0	0	0	0	112.2	P534 I535 F536	P534-G572 PolarHBondContact O-N 2.89Å; I535-G572 CarbonylContact C-O 3.59Å; I535-G572 WeakPolarHBondContact CA-O 2.98Å; F536-G572 PolarHBondContact N-O 3.31Å
573	M	98.3	Very high	95.6	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	129.7	168.8	177.4	68.5	74.8	0	0	110	F536 C538 T539 A541 L549 G586 C587 L589	F536-M573 HydrophobicContact CB-CE 4.28Å; F536-M573 HydrophobicContact CB-SD 4.38Å; F536-M573 HydrophobicContact CD1-CE 3.48Å; F536-M573 VanDerWaalsContact CD1-CE 3.48Å; F536-M573 HydrophobicContact CD1-SD 3.83Å; F536-M573 HydrophobicContact CE1-CE 4.13Å; F536-M573 HydrophobicContact CG-CE 4.19Å; F536-M573 WeakPolarHBondContact O-CA 3.49Å; C538-M573 HydrophobicContact CB-CE 4.45Å; C538-M573 HydrophobicContact CB-SD 3.97Å; T539-M573 HydrophobicContact CG2-SD 4.4Å; T539-M573 VanDerWaalsContact O-CG 3.26Å; T539-M573 WeakPolarHBondContact O-CG 3.24Å; A541-M573 HydrophobicContact CB-CB 3.98Å; A541-M573 HydrophobicContact CB-CG 3.77Å; L549-M573 HydrophobicContact CD1-CE 3.74Å; L549-M573 HydrophobicContact CD2-CE 3.87Å; L549-M573 HydrophobicContact CG-CE 4.44Å; M573-G586 VanDerWaalsContact O-CA 3.27Å; M573-G586 WeakPolarHBondContact O-CA 3.25Å; M573-C587 PolarHBondContact N-O 2.79Å; M573-C587 PolarHBondContact O-N 3.35Å; M573-C587 VanDerWaalsContact O-N 3.14Å; M573-L589 HydrophobicContact CB-CD1 3.72Å; M573-L589 HydrophobicContact CB-CG 3.9Å; M573-L589 HydrophobicContact CE-CD1 3.57Å; M573-L589 HydrophobicContact CG-CD1 4.22Å
574	C	97.8	Very high	95.7	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.014	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	154.4	173.8	-73.1	0	0	0	0	110.9	I535 F536 V537 C538 F582 Y585	I535-C574 HydrophobicContact CG2-CB 4.07Å; F536-C574 PolarHBondContact O-N 3.31Å; F536-C574 VanDerWaalsContact O-N 3.09Å; V537-C574 WeakPolarHBondContact CA-O 3.47Å; C538-C574 PolarHBondContact N-O 2.91Å; C574-F582 HydrophobicContact CB-CB 3.95Å; C574-F582 HydrophobicContact CB-CD2 4.09Å; C574-F582 HydrophobicContact CB-CG 4.45Å; C574-Y585 PolarHBondContact SG-O 3.33Å
575	I	96.4	Very high	95.9	Very high	24 Å²	24	51.8 Å²	51.8	12%	0.123	30%	0.296	C	S	.	.			trans	-75.9	155	161.3	59.2	173.8	0	0	0	110.9	T539 M540 F582 A583 P706 L710	T539-I575 VanDerWaalsContact C-CG2 3.43Å; M540-I575 HydrophobicContact CB-CG2 4.47Å; M540-I575 HydrophobicContact CG-CG2 3.75Å; M540-I575 HydrophobicContact SD-CD1 4.05Å; M540-I575 HydrophobicContact SD-CG1 4.24Å; M540-I575 HydrophobicContact SD-CG2 3.61Å; I575-F582 WeakPolarHBondContact O-CA 2.95Å; I575-A583 HydrophobicContact CG1-CB 3.82Å; I575-A583 PolarHBondContact O-N 3.5Å; I575-P706 HydrophobicContact CD1-CB 4.32Å; I575-L710 HydrophobicContact CD1-CB 4.34Å; I575-L710 HydrophobicContact CD1-CD2 4.24Å
576	S	96	Very high	96.2	Very high	88 Å²	88	47.4 Å²	47.4	62%	0.615	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	142.8	174.9	-172.1	0	0	0	0	111.5
577	D	95.1	Very high	96.5	Very high	46 Å²	46	46 Å²	46	25%	0.246	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	127.7	173	-177.3	-65.1	0	0	0	108.8	Q579 K580 G581 F582	D577-Q579 PolarHBondContact O-N 3.42Å; D577-Q579 WeakPolarHBondContact OD1-CA 3.39Å; D577-Q579 PolarHBondContact OD1-N 3.38Å; D577-K580 HydrophobicContact CB-CB 4.14Å; D577-K580 PolarHBondContact OD1-N 3.17Å; D577-G581 PolarHBondContact N-O 2.86Å; D577-G581 VanDerWaalsContact N-O 3.14Å; D577-G581 CarbonylContact O-C 3.53Å; D577-G581 WeakPolarHBondContact O-CA 3.15Å; D577-G581 PolarHBondContact O-N 3.42Å; D577-F582 VanDerWaalsContact CB-C 3.48Å
578	A	91.6	Very high	96.7	Very high	111 Å²	111	43.5 Å²	43.5	92%	0.917	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-15.6	-172.9	0	0	0	0	0	114.5
579	Q	92.4	Very high	96.8	Very high	184 Å²	184	42.4 Å²	42.4	86%	0.86	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.4	-35.8	179.2	-63.6	-178.1	-9.9	0	0	112.1	D577	D577-Q579 PolarHBondContact O-N 3.42Å; D577-Q579 WeakPolarHBondContact OD1-CA 3.39Å; D577-Q579 PolarHBondContact OD1-N 3.38Å
580	K	93.2	Very high	96.8	Very high	90 Å²	90	39.6 Å²	39.6	39%	0.391	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-1.2	-174.5	-53.6	-177.7	-176.3	-174.2	0	113.8	D577 F582 D584 R617	D577-K580 HydrophobicContact CB-CB 4.14Å; D577-K580 PolarHBondContact OD1-N 3.17Å; K580-F582 PolarHBondContact O-N 2.83Å; K580-D584 IonicContact NZ-OD1 2.69Å; K580-D584 PolarHBondContact NZ-OD1 3.35Å; K580-D584 IonicContact NZ-OD2 3.78Å; K580-D584 PolarHBondContact NZ-OD2 3.49Å; K580-R617 WeakPolarHBondContact O-CD 3.32Å
581	G	94.6	Very high	96.8	Very high	37 Å²	37	37.2 Å²	37.2	38%	0.381	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	76.5	-43.2	-170.9	0	0	0	0	0	113.3	D577	D577-G581 PolarHBondContact N-O 2.86Å; D577-G581 VanDerWaalsContact N-O 3.14Å; D577-G581 CarbonylContact O-C 3.53Å; D577-G581 WeakPolarHBondContact O-CA 3.15Å; D577-G581 PolarHBondContact O-N 3.42Å
582	F	97.5	Very high	96.8	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.018	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	155	175.1	60.2	-84.9	0	0	0	112.3	I535 V537 C574 I575 D577 K580 V614 R617 N624 A626	I535-F582 HydrophobicContact CG1-CE2 4.11Å; I535-F582 HydrophobicContact CG1-CZ 4.21Å; I535-F582 HydrophobicContact CG2-CD2 4.01Å; I535-F582 HydrophobicContact CG2-CE2 4.1Å; I535-F582 HydrophobicContact CG2-CG 4.33Å; V537-F582 HydrophobicContact CG1-CB 4.05Å; V537-F582 HydrophobicContact CG2-CB 3.69Å; V537-F582 HydrophobicContact CG2-CD1 4.24Å; V537-F582 HydrophobicContact CG2-CG 4.14Å; C574-F582 HydrophobicContact CB-CB 3.95Å; C574-F582 HydrophobicContact CB-CD2 4.09Å; C574-F582 HydrophobicContact CB-CG 4.45Å; I575-F582 WeakPolarHBondContact O-CA 2.95Å; D577-F582 VanDerWaalsContact CB-C 3.48Å; K580-F582 PolarHBondContact O-N 2.83Å; F582-V614 HydrophobicContact CD2-CG2 4.37Å; F582-V614 HydrophobicContact CE2-CG1 4.23Å; F582-V614 HydrophobicContact CE2-CG2 3.89Å; F582-R617 HydrophobicContact CE1-CB 4.27Å; F582-R617 HydrophobicContact CE1-CG 4.02Å; F582-R617 HydrophobicContact CE2-CG 4.12Å; F582-R617 HydrophobicContact CZ-CB 4.07Å; F582-R617 HydrophobicContact CZ-CG 3.58Å; F582-R617 PolarHBondContact O-NE 3.33Å; F582-R617 PolarHBondContact O-NH2 3.23Å; F582-N624 HydrophobicContact CD1-CB 4.21Å; F582-N624 HydrophobicContact CE1-CB 3.82Å; F582-A626 HydrophobicContact CE2-CB 4.24Å; F582-A626 HydrophobicContact CZ-CB 4.19Å
583	A	97.5	Very high	96.7	Very high	3 Å²	3	44.3 Å²	44.3	3%	0.025	25%	0.248	C	C	.	.			trans	-57.5	158.3	-176.5	0	0	0	0	0	114.4	I575 Y585 R617 L710	I575-A583 HydrophobicContact CG1-CB 3.82Å; I575-A583 PolarHBondContact O-N 3.5Å; A583-Y585 PolarHBondContact O-N 3.49Å; A583-R617 PolarHBondContact O-NH2 3.24Å; A583-L710 HydrophobicContact CB-CD1 4.02Å; A583-L710 HydrophobicContact CB-CD2 3.73Å
584	D	97.7	Very high	96.6	Very high	47 Å²	47	45.5 Å²	45.5	25%	0.251	26%	0.255	S	S	.	.	S	Bend	trans	-76	-5.5	178.2	-54.4	-67.3	0	0	0	114.1	K580 R613 V614 R617	K580-D584 IonicContact NZ-OD1 2.69Å; K580-D584 PolarHBondContact NZ-OD1 3.35Å; K580-D584 IonicContact NZ-OD2 3.78Å; K580-D584 PolarHBondContact NZ-OD2 3.49Å; D584-R613 CarbonylContact O-C 3.59Å; D584-R613 WeakPolarHBondContact O-CA 3.42Å; D584-V614 PolarHBondContact O-N 2.95Å; D584-R617 IonicContact OD1-CZ 3.8Å; D584-R617 IonicContact OD1-NH1 2.82Å; D584-R617 PolarHBondContact OD1-NH1 3.49Å; D584-R617 IonicContact OD1-NH2 3.26Å; D584-R617 PolarHBondContact OD1-NH2 2.71Å
585	Y	98.3	Very high	96.4	Very high	70 Å²	70	50.9 Å²	50.9	28%	0.275	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	154.8	179.9	-61.2	-79.8	0	0	0	110.8	C574 A583 F612 R613 L631	C574-Y585 PolarHBondContact SG-O 3.33Å; A583-Y585 PolarHBondContact O-N 3.49Å; Y585-F612 WeakPolarHBondContact CA-O 3.35Å; Y585-R613 HydrophobicContact CD1-CB 3.89Å; Y585-R613 HydrophobicContact CD1-CG 4.04Å; Y585-R613 HydrophobicContact CE1-CB 3.69Å; Y585-R613 HydrophobicContact CE1-CG 3.52Å; Y585-L631 HydrophobicContact CD1-CD1 3.63Å; Y585-L631 HydrophobicContact CE1-CD1 3.82Å
586	G	98.1	Very high	96.2	Very high	3 Å²	3	53.3 Å²	53.3	3%	0.031	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167	-173.4	179.7	0	0	0	0	0	113.3	M573 R611 F612	M573-G586 VanDerWaalsContact O-CA 3.27Å; M573-G586 WeakPolarHBondContact O-CA 3.25Å; G586-R611 WeakPolarHBondContact O-CA 3.44Å; G586-F612 VanDerWaalsContact C-CE1 3.48Å; G586-F612 PolarHBondContact N-O 3.09Å; G586-F612 PolarHBondContact O-N 3.32Å
587	C	98.3	Very high	96	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	135.4	176.9	-177.5	0	0	0	0	110	A541 M573 L589 F612	A541-C587 HydrophobicContact CB-CB 4.1Å; A541-C587 VanDerWaalsContact O-CB 3.27Å; A541-C587 WeakPolarHBondContact O-CB 3.38Å; M573-C587 PolarHBondContact N-O 2.79Å; M573-C587 PolarHBondContact O-N 3.35Å; M573-C587 VanDerWaalsContact O-N 3.14Å; C587-L589 PolarHBondContact O-N 2.93Å; C587-F612 VanDerWaalsContact C-CE1 3.5Å
588	M	98.4	Very high	95.7	Very high	1 Å²	1	54 Å²	54	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	125	170.9	-67.1	-57.1	-63.6	0	0	109.2	L529 V533 Q570 G609 K610 F612 I628	L529-M588 HydrophobicContact CD2-CE 4.34Å; V533-M588 HydrophobicContact CG1-CE 3.77Å; V533-M588 HydrophobicContact CG1-SD 3.98Å; Q570-M588 HydrophobicContact CB-CE 4.07Å; M588-G609 PolarHBondContact O-N 2.91Å; M588-K610 WeakPolarHBondContact CB-O 3.43Å; M588-K610 PolarHBondContact N-O 3.19Å; M588-F612 HydrophobicContact CG-CD1 3.97Å; M588-F612 HydrophobicContact CG-CE1 4.44Å; M588-F612 HydrophobicContact SD-CD1 3.85Å; M588-F612 HydrophobicContact SD-CE1 3.94Å; M588-I628 HydrophobicContact CG-CD1 4.49Å; M588-I628 HydrophobicContact SD-CD1 3.66Å
589	L	98.6	Very high	95.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	131.6	171	-68.1	-178	0	0	0	109.9	A541 C547 L549 Q570 F571 M573 C587 T606	A541-L589 HydrophobicContact CB-CD2 3.81Å; A541-L589 HydrophobicContact CB-CG 4.44Å; C547-L589 HydrophobicContact CB-CD1 4.22Å; C547-L589 HydrophobicContact CB-CD2 3.86Å; L549-L589 HydrophobicContact CD1-CD1 4.26Å; Q570-L589 WeakPolarHBondContact CA-O 3.39Å; F571-L589 HydrophobicContact CE1-CB 4.32Å; F571-L589 HydrophobicContact CE2-CB 4.17Å; F571-L589 HydrophobicContact CE2-CD1 3.78Å; F571-L589 HydrophobicContact CE2-CG 4.48Å; F571-L589 HydrophobicContact CZ-CB 4.02Å; F571-L589 HydrophobicContact CZ-CD1 3.91Å; F571-L589 PolarHBondContact N-O 3.47Å; F571-L589 PolarHBondContact O-N 2.92Å; M573-L589 HydrophobicContact CB-CD1 3.72Å; M573-L589 HydrophobicContact CB-CG 3.9Å; M573-L589 HydrophobicContact CE-CD1 3.57Å; M573-L589 HydrophobicContact CG-CD1 4.22Å; C587-L589 PolarHBondContact O-N 2.93Å; L589-T606 HydrophobicContact CB-CG2 4.33Å
590	I	98.4	Very high	95	Very high	65 Å²	65	43.5 Å²	43.5	33%	0.333	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	122	175.2	-57.6	164.9	0	0	0	108.1	Q570 R592 T606 I607	Q570-I590 HydrophobicContact CG-CB 4.38Å; Q570-I590 HydrophobicContact CG-CG1 3.9Å; I590-R592 PolarHBondContact O-N 3.3Å; I590-T606 CarbonylContact O-C 3.53Å; I590-T606 WeakPolarHBondContact O-CA 3.49Å; I590-T606 WeakPolarHBondContact O-CB 3.31Å; I590-I607 HydrophobicContact CB-CG2 4.12Å; I590-I607 PolarHBondContact N-O 3.36Å; I590-I607 PolarHBondContact O-N 3.48Å
591	V	98.3	Very high	94.9	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.024	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	114.4	179.9	178.4	0	0	0	0	110.5	M564 R569 F571 V594 V604 T606	M564-V591 HydrophobicContact SD-CB 4.48Å; M564-V591 HydrophobicContact SD-CG1 3.9Å; R569-V591 HydrophobicContact CB-CB 4.22Å; R569-V591 WeakPolarHBondContact O-CB 3.38Å; R569-V591 PolarHBondContact O-N 3.06Å; F571-V591 HydrophobicContact CD1-CG2 4.17Å; F571-V591 HydrophobicContact CE1-CG2 3.72Å; V591-V594 HydrophobicContact CG1-CG2 3.5Å; V591-V594 VanDerWaalsContact CG1-CG2 3.5Å; V591-V604 HydrophobicContact CG1-CG1 3.99Å; V591-V604 HydrophobicContact CG2-CG1 3.98Å; V591-T606 HydrophobicContact CG2-CG2 4.15Å
592	R	97.1	Very high	94.9	Very high	113 Å²	113	41.6 Å²	41.6	43%	0.426	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	-48.6	175.3	-60.9	-168	-62.6	-152.8	-3.1	111	I590 D605 I607	I590-R592 PolarHBondContact O-N 3.3Å; R592-D605 WeakPolarHBondContact CB-OD2 3.37Å; R592-D605 IonicContact CZ-OD1 2.81Å; R592-D605 IonicContact CZ-OD2 3.84Å; R592-D605 VanDerWaalsContact CZ-OD2 3.26Å; R592-D605 PolarHBondContact N-O 2.95Å; R592-D605 IonicContact NE-OD1 2.81Å; R592-D605 IonicContact NE-OD2 2.62Å; R592-D605 PolarHBondContact NE-OD2 3.16Å; R592-D605 VanDerWaalsContact NH2-CG 3.3Å; R592-D605 IonicContact NH2-OD1 2.71Å; R592-D605 PolarHBondContact NH2-OD1 3.09Å; R592-D605 IonicContact NH2-OD2 3.71Å; R592-D605 PolarHBondContact NH2-OD2 2.9Å; R592-I607 HydrophobicContact CG-CG2 4.09Å
593	S	97	Very high	94.9	Very high	37 Å²	37	44.3 Å²	44.3	26%	0.259	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	159.9	174.1	78.8	0	0	0	0	112.7	H595 D605	S593-H595 PolarHBondContact OG-CD2 3.04Å; S593-H595 PolarHBondContact OG-NE2 3.5Å; S593-H595 VanDerWaalsContact OG-NE2 3.09Å; S593-D605 PolarHBondContact N-O 2.83Å; S593-D605 PolarHBondContact O-N 3.39Å
594	V	96	Very high	94.9	Very high	26 Å²	26	44.1 Å²	44.1	16%	0.158	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	123.5	169.9	-172.1	0	0	0	0	109.4	I560 M564 V591 F596 V604	I560-V594 HydrophobicContact CG2-CG1 4.34Å; I560-V594 HydrophobicContact CG2-CG2 4.31Å; M564-V594 HydrophobicContact CE-CG2 4.14Å; M564-V594 HydrophobicContact CG-CG2 4.2Å; M564-V594 HydrophobicContact SD-CG2 3.79Å; V591-V594 HydrophobicContact CG1-CG2 3.5Å; V591-V594 VanDerWaalsContact CG1-CG2 3.5Å; V594-F596 HydrophobicContact CB-CE2 4.1Å; V594-F596 HydrophobicContact CB-CZ 4.22Å; V594-F596 HydrophobicContact CG1-CD1 3.98Å; V594-F596 HydrophobicContact CG1-CD2 4Å; V594-F596 HydrophobicContact CG1-CE1 3.62Å; V594-F596 HydrophobicContact CG1-CE2 3.63Å; V594-F596 HydrophobicContact CG1-CG 4.17Å; V594-F596 HydrophobicContact CG1-CZ 3.44Å; V594-F596 VanDerWaalsContact CG1-CZ 3.44Å; V594-V604 HydrophobicContact CG1-CG2 4.24Å; V594-V604 HydrophobicContact CG2-CG1 4.32Å
595	H	94.6	Very high	94.9	Very high	115 Å²	115	43.9 Å²	43.9	53%	0.532	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	102.1	173.8	-59.5	-82.1	0	0	0	108.4	S593 S602 V603	S593-H595 PolarHBondContact OG-CD2 3.04Å; S593-H595 PolarHBondContact OG-NE2 3.5Å; S593-H595 VanDerWaalsContact OG-NE2 3.09Å; H595-S602 CarbonylContact O-C 3.55Å; H595-S602 VanDerWaalsContact O-CA 3.3Å; H595-S602 WeakPolarHBondContact O-CA 3.32Å; H595-V603 HydrophobicContact CB-CB 4.46Å; H595-V603 PolarHBondContact N-O 2.74Å; H595-V603 PolarHBondContact O-N 3.42Å
596	F	90.8	Very high	94.8	Very high	76 Å²	76	40.5 Å²	40.5	33%	0.333	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	138.9	177.3	-63.6	-74.6	0	0	0	111	R492 V594	R492-F596 VanDerWaalsContact NH1-CD1 3.27Å; R492-F596 VanDerWaalsContact NH1-CG 3.34Å; V594-F596 HydrophobicContact CB-CE2 4.1Å; V594-F596 HydrophobicContact CB-CZ 4.22Å; V594-F596 HydrophobicContact CG1-CD1 3.98Å; V594-F596 HydrophobicContact CG1-CD2 4Å; V594-F596 HydrophobicContact CG1-CE1 3.62Å; V594-F596 HydrophobicContact CG1-CE2 3.63Å; V594-F596 HydrophobicContact CG1-CG 4.17Å; V594-F596 HydrophobicContact CG1-CZ 3.44Å; V594-F596 VanDerWaalsContact CG1-CZ 3.44Å
597	L	91.8	Very high	94.8	Very high	57 Å²	57	42.6 Å²	42.6	30%	0.298	22%	0.215	S	C	.	.			trans	-96.2	159.2	178.3	-56.1	-174.2	0	0	0	110.9	D599 G600 R601	L597-D599 PolarHBondContact O-N 3.25Å; L597-G600 WeakPolarHBondContact O-CA 3.27Å; L597-G600 PolarHBondContact O-N 2.95Å; L597-R601 HydrophobicContact CB-CB 4.38Å; L597-R601 HydrophobicContact CD1-CB 4.15Å; L597-R601 HydrophobicContact CG-CB 4.48Å; L597-R601 PolarHBondContact N-O 3.41Å
598	P	88.8	Confident	94.8	Very high	92 Å²	92	42.8 Å²	42.8	60%	0.597	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-25.3	-178.4	-28.6	37.5	0	0	0	115.8	A490	A490-P598 HydrophobicContact CB-CB 3.8Å
599	D	85.8	Confident	94.7	Very high	73 Å²	73	43.4 Å²	43.4	39%	0.39	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	1.3	173.2	58.2	23.9	0	0	0	113.4	R557 L597 R601	R557-D599 PolarHBondContact NH1-O 2.9Å; L597-D599 PolarHBondContact O-N 3.25Å; D599-R601 VanDerWaalsContact CG-NE 3.3Å; D599-R601 VanDerWaalsContact OD1-CB 3.31Å; D599-R601 WeakPolarHBondContact OD1-CB 3.34Å; D599-R601 VanDerWaalsContact OD1-CG 3.26Å; D599-R601 WeakPolarHBondContact OD1-CG 3.42Å; D599-R601 PolarHBondContact OD1-N 2.78Å; D599-R601 IonicContact OD1-NE 3.97Å; D599-R601 PolarHBondContact OD1-NE 2.73Å; D599-R601 VanDerWaalsContact OD1-NE 3.17Å; D599-R601 IonicContact OD2-CZ 2.62Å; D599-R601 IonicContact OD2-NE 2.63Å; D599-R601 PolarHBondContact OD2-NE 3.3Å; D599-R601 IonicContact OD2-NH2 2.75Å; D599-R601 PolarHBondContact OD2-NH2 2.92Å
600	G	84	Confident	94.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.242	C	C	.	.	S	Bend	trans	84	-0.2	178.3	0	0	0	0	0	115.5	R557 L597	R557-G600 PolarHBondContact NE-O 3.27Å; R557-G600 VanDerWaalsContact NE-O 3.16Å; L597-G600 WeakPolarHBondContact O-CA 3.27Å; L597-G600 PolarHBondContact O-N 2.95Å
601	R	91.6	Very high	94.6	Very high	87 Å²	87	44.5 Å²	44.5	33%	0.328	23%	0.226	S	C	.	.			trans	-61.3	168.4	164.7	-62.9	-175.8	-74.9	156	-14	110.6	H550 V551 F552 L597 D599	H550-R601 PolarHBondContact NE2-NH1 3.26Å; V551-R601 WeakPolarHBondContact O-CA 3.44Å; F552-R601 HydrophobicContact CB-CG 3.79Å; L597-R601 HydrophobicContact CB-CB 4.38Å; L597-R601 HydrophobicContact CD1-CB 4.15Å; L597-R601 HydrophobicContact CG-CB 4.48Å; L597-R601 PolarHBondContact N-O 3.41Å; D599-R601 VanDerWaalsContact CG-NE 3.3Å; D599-R601 VanDerWaalsContact OD1-CB 3.31Å; D599-R601 WeakPolarHBondContact OD1-CB 3.34Å; D599-R601 VanDerWaalsContact OD1-CG 3.26Å; D599-R601 WeakPolarHBondContact OD1-CG 3.42Å; D599-R601 PolarHBondContact OD1-N 2.78Å; D599-R601 IonicContact OD1-NE 3.97Å; D599-R601 PolarHBondContact OD1-NE 2.73Å; D599-R601 VanDerWaalsContact OD1-NE 3.17Å; D599-R601 IonicContact OD2-CZ 2.62Å; D599-R601 IonicContact OD2-NE 2.63Å; D599-R601 PolarHBondContact OD2-NE 3.3Å; D599-R601 IonicContact OD2-NH2 2.75Å; D599-R601 PolarHBondContact OD2-NH2 2.92Å
602	S	94.5	Very high	94.6	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.007	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	153.1	171.2	53.7	0	0	0	0	113.9	H550 V551 H595	H550-S602 CarbonylContact C-O 3.58Å; V551-S602 PolarHBondContact N-O 2.82Å; V551-S602 PolarHBondContact O-N 3.34Å; H595-S602 CarbonylContact O-C 3.55Å; H595-S602 VanDerWaalsContact O-CA 3.3Å; H595-S602 WeakPolarHBondContact O-CA 3.32Å
603	V	96.9	Very high	94.7	Very high	60 Å²	60	42.9 Å²	42.9	36%	0.364	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	125.2	156.3	178.7	0	0	0	0	107	L549 H595	L549-V603 CarbonylContact O-C 3.53Å; L549-V603 WeakPolarHBondContact O-CA 3.49Å; H595-V603 HydrophobicContact CB-CB 4.46Å; H595-V603 PolarHBondContact N-O 2.74Å; H595-V603 PolarHBondContact O-N 3.42Å
604	V	97.7	Very high	94.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	116.6	-177.5	-175	0	0	0	0	107.4	P548 L549 V551 I560 V591 V594 T606	P548-V604 WeakPolarHBondContact CA-O 3.46Å; L549-V604 HydrophobicContact CB-CB 4.46Å; L549-V604 PolarHBondContact N-O 2.9Å; L549-V604 PolarHBondContact O-N 3.48Å; V551-V604 HydrophobicContact CB-CG2 4.49Å; V551-V604 HydrophobicContact CG2-CG2 3.91Å; I560-V604 HydrophobicContact CD1-CG1 4.24Å; I560-V604 HydrophobicContact CD1-CG2 4.11Å; I560-V604 HydrophobicContact CG1-CG2 4.14Å; I560-V604 HydrophobicContact CG2-CG2 3.96Å; V591-V604 HydrophobicContact CG1-CG1 3.99Å; V591-V604 HydrophobicContact CG2-CG1 3.98Å; V594-V604 HydrophobicContact CG1-CG2 4.24Å; V594-V604 HydrophobicContact CG2-CG1 4.32Å; V604-T606 HydrophobicContact CG1-CG2 3.6Å
605	D	97.3	Very high	94.8	Very high	41 Å²	41	44.3 Å²	44.3	22%	0.219	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	126.3	170.8	178.5	42.7	0	0	0	109.4	R592 S593	R592-D605 WeakPolarHBondContact CB-OD2 3.37Å; R592-D605 IonicContact CZ-OD1 2.81Å; R592-D605 IonicContact CZ-OD2 3.84Å; R592-D605 VanDerWaalsContact CZ-OD2 3.26Å; R592-D605 PolarHBondContact N-O 2.95Å; R592-D605 IonicContact NE-OD1 2.81Å; R592-D605 IonicContact NE-OD2 2.62Å; R592-D605 PolarHBondContact NE-OD2 3.16Å; R592-D605 VanDerWaalsContact NH2-CG 3.3Å; R592-D605 IonicContact NH2-OD1 2.71Å; R592-D605 PolarHBondContact NH2-OD1 3.09Å; R592-D605 IonicContact NH2-OD2 3.71Å; R592-D605 PolarHBondContact NH2-OD2 2.9Å; S593-D605 PolarHBondContact N-O 2.83Å; S593-D605 PolarHBondContact O-N 3.39Å
606	T	98	Very high	95	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	161.7	180	79.9	0	0	0	0	112.3	P546 C547 F571 L589 I590 V591 V604	P546-T606 CarbonylContact C-O 3.6Å; P546-T606 WeakPolarHBondContact CA-O 3.42Å; C547-T606 WeakPolarHBondContact CB-OG1 3.35Å; C547-T606 PolarHBondContact N-O 3.26Å; C547-T606 PolarHBondContact O-OG1 3.45Å; F571-T606 HydrophobicContact CE1-CG2 4.15Å; F571-T606 HydrophobicContact CZ-CG2 4.09Å; L589-T606 HydrophobicContact CB-CG2 4.33Å; I590-T606 CarbonylContact O-C 3.53Å; I590-T606 WeakPolarHBondContact O-CA 3.49Å; I590-T606 WeakPolarHBondContact O-CB 3.31Å; V591-T606 HydrophobicContact CG2-CG2 4.15Å; V604-T606 HydrophobicContact CG1-CG2 3.6Å
607	I	97.3	Very high	95.3	Very high	46 Å²	46	41.5 Å²	41.5	24%	0.236	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	141.6	170.2	-170.7	171.6	0	0	0	109.1	T544 I590 R592	T544-I607 WeakPolarHBondContact O-CD1 3.47Å; T544-I607 WeakPolarHBondContact O-CG1 3.46Å; I590-I607 HydrophobicContact CB-CG2 4.12Å; I590-I607 PolarHBondContact N-O 3.36Å; I590-I607 PolarHBondContact O-N 3.48Å; R592-I607 HydrophobicContact CG-CG2 4.09Å
608	G	97.4	Very high	95.6	Very high	5 Å²	5	40.9 Å²	40.9	5%	0.052	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	138.3	175.9	0	0	0	0	0	112.9	Y542 T544 V545	Y542-G608 WeakPolarHBondContact O-CA 3.29Å; T544-G608 PolarHBondContact N-O 2.93Å; V545-G608 PolarHBondContact O-N 3.5Å
609	G	96.5	Very high	95.9	Very high	14 Å²	14	42.3 Å²	42.3	14%	0.144	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	-129.5	177.5	0	0	0	0	0	111.3	P543 M588	P543-G609 WeakPolarHBondContact CB-O 3.25Å; P543-G609 WeakPolarHBondContact CG-O 3.45Å; M588-G609 PolarHBondContact O-N 2.91Å
610	K	97	Very high	96.3	Very high	87 Å²	87	41.6 Å²	41.6	38%	0.378	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	138.3	-179.1	-64.9	-159.6	176.5	-156.8	0	112.1	M588 H630 E632	M588-K610 WeakPolarHBondContact CB-O 3.43Å; M588-K610 PolarHBondContact N-O 3.19Å; K610-H630 HydrophobicContact CD-CB 4.18Å; K610-E632 IonicContact NZ-OE1 2.76Å; K610-E632 PolarHBondContact NZ-OE1 3.39Å
611	R	98.1	Very high	96.6	Very high	1 Å²	1	45.2 Å²	45.2	0%	0.004	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	160.3	164.9	-63.9	171.2	-61.3	145.2	1.7	110.3	P543 G586 H630 L631 D633 N690 L713 M715	P543-R611 HydrophobicContact CG-CG 3.66Å; G586-R611 WeakPolarHBondContact O-CA 3.44Å; R611-H630 WeakPolarHBondContact O-CA 3.4Å; R611-L631 HydrophobicContact CB-CB 4.03Å; R611-L631 PolarHBondContact O-N 3.47Å; R611-D633 IonicContact CZ-OD1 2.76Å; R611-D633 IonicContact NH1-OD1 2.86Å; R611-D633 IonicContact NH2-OD1 2.72Å; R611-D633 PolarHBondContact NH2-OD1 3.41Å; R611-D633 IonicContact NH2-OD2 3.36Å; R611-N690 PolarHBondContact NE-OD1 2.95Å; R611-L713 WeakPolarHBondContact CD-O 3.47Å; R611-L713 HydrophobicContact CG-CD1 3.86Å; R611-L713 HydrophobicContact CG-CG 4.41Å; R611-L713 PolarHBondContact NH1-O 3Å; R611-M715 PolarHBondContact NH1-O 2.87Å
612	F	98.5	Very high	96.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	158.4	175.7	66.6	-97.6	0	0	0	113.6	I535 Y585 G586 C587 M588 V614 I628 E629	I535-F612 HydrophobicContact CD1-CE2 4.27Å; I535-F612 HydrophobicContact CD1-CZ 3.94Å; Y585-F612 WeakPolarHBondContact CA-O 3.35Å; G586-F612 VanDerWaalsContact C-CE1 3.48Å; G586-F612 PolarHBondContact N-O 3.09Å; G586-F612 PolarHBondContact O-N 3.32Å; C587-F612 VanDerWaalsContact C-CE1 3.5Å; M588-F612 HydrophobicContact CG-CD1 3.97Å; M588-F612 HydrophobicContact CG-CE1 4.44Å; M588-F612 HydrophobicContact SD-CD1 3.85Å; M588-F612 HydrophobicContact SD-CE1 3.94Å; F612-V614 HydrophobicContact CD2-CG2 4.3Å; F612-V614 HydrophobicContact CE2-CG2 3.92Å; F612-I628 HydrophobicContact CB-CB 4.1Å; F612-I628 HydrophobicContact CB-CD1 3.88Å; F612-I628 HydrophobicContact CB-CG1 4.42Å; F612-I628 HydrophobicContact CD1-CD1 4.13Å; F612-I628 HydrophobicContact CD2-CB 3.97Å; F612-I628 HydrophobicContact CD2-CD1 4.33Å; F612-I628 HydrophobicContact CD2-CG2 3.59Å; F612-I628 HydrophobicContact CE2-CG2 3.94Å; F612-I628 HydrophobicContact CG-CB 4.21Å; F612-I628 HydrophobicContact CG-CD1 3.87Å; F612-I628 HydrophobicContact CG-CG2 4.21Å; F612-E629 CarbonylContact C-O 3.59Å; F612-E629 WeakPolarHBondContact CA-O 3.35Å; F612-E629 WeakPolarHBondContact CB-O 3.33Å
613	R	98.4	Very high	96.7	Very high	82 Å²	82	42.9 Å²	42.9	31%	0.309	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	138.9	165.9	-175	176.4	70.4	93	-8.8	109.4	D584 Y585 L615 I628 E629 L631	D584-R613 CarbonylContact O-C 3.59Å; D584-R613 WeakPolarHBondContact O-CA 3.42Å; Y585-R613 HydrophobicContact CD1-CB 3.89Å; Y585-R613 HydrophobicContact CD1-CG 4.04Å; Y585-R613 HydrophobicContact CE1-CB 3.69Å; Y585-R613 HydrophobicContact CE1-CG 3.52Å; R613-L615 VanDerWaalsContact NH2-CD2 3.27Å; R613-I628 VanDerWaalsContact O-CA 3.31Å; R613-I628 WeakPolarHBondContact O-CA 3.37Å; R613-E629 IonicContact CZ-OE2 3.46Å; R613-E629 PolarHBondContact N-O 2.8Å; R613-E629 IonicContact NE-OE2 2.63Å; R613-E629 PolarHBondContact NE-OE2 3.22Å; R613-E629 IonicContact NH2-OE1 2.86Å; R613-E629 IonicContact NH2-OE2 3.57Å; R613-E629 PolarHBondContact NH2-OE2 2.99Å; R613-E629 PolarHBondContact O-N 3.34Å; R613-L631 HydrophobicContact CB-CD1 4.47Å; R613-L631 HydrophobicContact CB-CD2 4.23Å; R613-L631 HydrophobicContact CB-CG 4.34Å
614	V	98.5	Very high	96.8	Very high	8 Å²	8	41.2 Å²	41.2	5%	0.048	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	125.3	175.8	177.8	0	0	0	0	109.6	F582 D584 F612 S616 R617 A626	F582-V614 HydrophobicContact CD2-CG2 4.37Å; F582-V614 HydrophobicContact CE2-CG1 4.23Å; F582-V614 HydrophobicContact CE2-CG2 3.89Å; D584-V614 PolarHBondContact O-N 2.95Å; F612-V614 HydrophobicContact CD2-CG2 4.3Å; F612-V614 HydrophobicContact CE2-CG2 3.92Å; V614-S616 WeakPolarHBondContact CG1-O 3.36Å; V614-R617 HydrophobicContact CG1-CG 3.69Å; V614-A626 HydrophobicContact CG1-CB 4.18Å
615	L	98.4	Very high	96.8	Very high	85 Å²	85	41.2 Å²	41.2	45%	0.445	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-44	175.3	-58.6	178.7	0	0	0	111.5	R613 D627 E629	R613-L615 VanDerWaalsContact NH2-CD2 3.27Å; L615-D627 HydrophobicContact CB-CB 4.17Å; L615-D627 WeakPolarHBondContact CB-O 3.17Å; L615-D627 PolarHBondContact N-O 3.44Å; L615-E629 HydrophobicContact CD1-CB 4.15Å; L615-E629 HydrophobicContact CD2-CB 3.91Å; L615-E629 HydrophobicContact CG-CB 4.1Å
616	S	98.1	Very high	96.9	Very high	47 Å²	47	39.3 Å²	39.3	33%	0.329	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	160.5	177.4	76.9	0	0	0	0	110.2	V614 A626 D627	V614-S616 WeakPolarHBondContact CG1-O 3.36Å; S616-A626 VanDerWaalsContact O-CA 3.26Å; S616-A626 WeakPolarHBondContact O-CA 3.39Å; S616-A626 WeakPolarHBondContact O-CB 3.12Å; S616-D627 PolarHBondContact N-O 3.4Å; S616-D627 PolarHBondContact O-N 3.21Å; S616-D627 VanDerWaalsContact OG-CB 3.24Å; S616-D627 WeakPolarHBondContact OG-CB 3.47Å; S616-D627 PolarHBondContact OG-N 3.02Å; S616-D627 PolarHBondContact OG-OD2 2.86Å
617	R	97.9	Very high	96.9	Very high	85 Å²	85	40.6 Å²	40.6	32%	0.321	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	136.3	178.9	-63.3	-177	168.1	78.7	-9.7	109.7	K580 F582 A583 D584 V614	K580-R617 WeakPolarHBondContact O-CD 3.32Å; F582-R617 HydrophobicContact CE1-CB 4.27Å; F582-R617 HydrophobicContact CE1-CG 4.02Å; F582-R617 HydrophobicContact CE2-CG 4.12Å; F582-R617 HydrophobicContact CZ-CB 4.07Å; F582-R617 HydrophobicContact CZ-CG 3.58Å; F582-R617 PolarHBondContact O-NE 3.33Å; F582-R617 PolarHBondContact O-NH2 3.23Å; A583-R617 PolarHBondContact O-NH2 3.24Å; D584-R617 IonicContact OD1-CZ 3.8Å; D584-R617 IonicContact OD1-NH1 2.82Å; D584-R617 PolarHBondContact OD1-NH1 3.49Å; D584-R617 IonicContact OD1-NH2 3.26Å; D584-R617 PolarHBondContact OD1-NH2 2.71Å; V614-R617 HydrophobicContact CG1-CG 3.69Å
618	A	97	Very high	96.9	Very high	44 Å²	44	38.7 Å²	38.7	36%	0.364	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	-175.2	178.3	0	0	0	0	0	110.4	T625	A618-T625 WeakPolarHBondContact CB-OG1 3.36Å; A618-T625 PolarHBondContact N-O 2.94Å; A618-T625 PolarHBondContact O-N 3.38Å; A618-T625 VanDerWaalsContact O-O 3.14Å
619	M	95.5	Very high	97	Very high	122 Å²	122	42.4 Å²	42.4	60%	0.601	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-142.9	134.4	175.9	-174	-179.8	-74.7	0	0	109.2	Y623 N624	M619-Y623 WeakPolarHBondContact CA-O 3.42Å; M619-Y623 VanDerWaalsContact CG-O 3.24Å; M619-Y623 WeakPolarHBondContact CG-O 3.41Å; M619-N624 WeakPolarHBondContact CE-OD1 3.1Å
620	K	92.8	Very high	97.1	Very high	58 Å²	58	44.7 Å²	44.7	25%	0.252	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	123	176.8	-163.2	162.1	-175.4	171.3	0	107.9	E525 L526 G622 Y623 T625	E525-K620 IonicContact OE2-NZ 3.4Å; E525-K620 PolarHBondContact OE2-NZ 2.86Å; L526-K620 HydrophobicContact CD2-CD 4.14Å; K620-G622 PolarHBondContact O-N 3.4Å; K620-G622 VanDerWaalsContact O-N 3.16Å; K620-Y623 PolarHBondContact N-O 3.06Å; K620-Y623 VanDerWaalsContact O-CD1 3.24Å; K620-Y623 WeakPolarHBondContact O-CD1 3.31Å; K620-Y623 WeakPolarHBondContact O-CE1 3.42Å; K620-Y623 PolarHBondContact O-N 2.72Å; K620-T625 HydrophobicContact CB-CG2 3.94Å
621	D	91.4	Very high	97.1	Very high	77 Å²	77	41.5 Å²	41.5	41%	0.412	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	50	37.7	-177.6	-53.5	-92	0	0	0	114.9	L558 R562 Y623	L558-D621 HydrophobicContact CD2-CB 3.74Å; R562-D621 IonicContact CZ-OD2 3.56Å; R562-D621 IonicContact NH1-OD2 2.82Å; R562-D621 PolarHBondContact NH1-OD2 2.76Å; R562-D621 VanDerWaalsContact NH2-CG 3.27Å; R562-D621 IonicContact NH2-OD1 3.5Å; R562-D621 IonicContact NH2-OD2 3.34Å; R562-D621 PolarHBondContact NH2-OD2 3.2Å; D621-Y623 HydrophobicContact CB-CE1 4.41Å; D621-Y623 PolarHBondContact O-N 2.89Å
622	G	93.1	Very high	97	Very high	34 Å²	34	45.7 Å²	45.7	35%	0.351	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	-7.6	174.1	0	0	0	0	0	116.4	R555 K620	R555-G622 WeakPolarHBondContact CD-O 3.05Å; R555-G622 PolarHBondContact NH1-O 2.84Å; K620-G622 PolarHBondContact O-N 3.4Å; K620-G622 VanDerWaalsContact O-N 3.16Å
623	Y	95.8	Very high	96.9	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.016	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	152.3	168.3	66.5	-97.8	0	0	0	111.2	P534 R555 M559 R562 M619 K620 D621 T625	P534-Y623 HydrophobicContact CB-CD2 4.27Å; P534-Y623 HydrophobicContact CB-CE2 3.78Å; R555-Y623 WeakPolarHBondContact O-CD1 3.3Å; M559-Y623 HydrophobicContact CB-CD1 3.9Å; M559-Y623 HydrophobicContact CB-CD2 4.28Å; M559-Y623 HydrophobicContact CB-CE1 4.01Å; M559-Y623 HydrophobicContact CB-CE2 4.41Å; M559-Y623 HydrophobicContact CB-CG 4.04Å; M559-Y623 HydrophobicContact CG-CD1 4.34Å; M559-Y623 HydrophobicContact CG-CD2 3.82Å; M559-Y623 HydrophobicContact CG-CE1 4.36Å; M559-Y623 HydrophobicContact CG-CE2 3.88Å; M559-Y623 HydrophobicContact CG-CG 4.08Å; M559-Y623 HydrophobicContact SD-CD2 4.34Å; R562-Y623 WeakPolarHBondContact CD-OH 3.42Å; R562-Y623 PolarHBondContact NH1-OH 2.92Å; M619-Y623 WeakPolarHBondContact CA-O 3.42Å; M619-Y623 VanDerWaalsContact CG-O 3.24Å; M619-Y623 WeakPolarHBondContact CG-O 3.41Å; K620-Y623 PolarHBondContact N-O 3.06Å; K620-Y623 VanDerWaalsContact O-CD1 3.24Å; K620-Y623 WeakPolarHBondContact O-CD1 3.31Å; K620-Y623 WeakPolarHBondContact O-CE1 3.42Å; K620-Y623 PolarHBondContact O-N 2.72Å; D621-Y623 HydrophobicContact CB-CE1 4.41Å; D621-Y623 PolarHBondContact O-N 2.89Å; Y623-T625 HydrophobicContact CD2-CG2 4.24Å; Y623-T625 HydrophobicContact CE2-CG2 3.82Å
624	N	97.9	Very high	96.8	Very high	25 Å²	25	47.2 Å²	47.2	13%	0.134	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	145.8	-176.3	-66.7	-21.7	0	0	0	111.1	I535 V537 F582 M619	I535-N624 HydrophobicContact CB-CB 4.18Å; I535-N624 PolarHBondContact N-O 3.27Å; V537-N624 VanDerWaalsContact CG2-ND2 3.34Å; V537-N624 WeakPolarHBondContact CG2-ND2 3.32Å; F582-N624 HydrophobicContact CD1-CB 4.21Å; F582-N624 HydrophobicContact CE1-CB 3.82Å; M619-N624 WeakPolarHBondContact CE-OD1 3.1Å
625	T	98.1	Very high	96.6	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.006	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	157.6	171.2	53.5	0	0	0	0	110.9	N532 V533 A618 K620 Y623	N532-T625 WeakPolarHBondContact O-CG2 3.29Å; V533-T625 CarbonylContact O-C 3.6Å; V533-T625 WeakPolarHBondContact O-CA 3.35Å; A618-T625 WeakPolarHBondContact CB-OG1 3.36Å; A618-T625 PolarHBondContact N-O 2.94Å; A618-T625 PolarHBondContact O-N 3.38Å; A618-T625 VanDerWaalsContact O-O 3.14Å; K620-T625 HydrophobicContact CB-CG2 3.94Å; Y623-T625 HydrophobicContact CD2-CG2 4.24Å; Y623-T625 HydrophobicContact CE2-CG2 3.82Å
626	A	98.3	Very high	96.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	147.2	175.4	0	0	0	0	0	112	N532 V533 I535 F582 V614 S616 I628	N532-A626 CarbonylContact C-O 3.34Å; N532-A626 PolarHBondContact N-O 3.38Å; V533-A626 PolarHBondContact N-O 3.07Å; V533-A626 PolarHBondContact O-N 3.06Å; I535-A626 HydrophobicContact CD1-CB 4.03Å; I535-A626 HydrophobicContact CG1-CB 3.8Å; F582-A626 HydrophobicContact CE2-CB 4.24Å; F582-A626 HydrophobicContact CZ-CB 4.19Å; V614-A626 HydrophobicContact CG1-CB 4.18Å; S616-A626 VanDerWaalsContact O-CA 3.26Å; S616-A626 WeakPolarHBondContact O-CA 3.39Å; S616-A626 WeakPolarHBondContact O-CB 3.12Å; A626-I628 HydrophobicContact CB-CG2 3.75Å
627	D	98.6	Very high	96.4	Very high	27 Å²	27	57.9 Å²	57.9	14%	0.144	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	137.6	152.2	-65.2	-13	0	0	0	107.9	T530 K531 N532 L615 S616	T530-D627 WeakPolarHBondContact O-CA 3.38Å; K531-D627 VanDerWaalsContact CA-OD1 3.31Å; K531-D627 WeakPolarHBondContact CA-OD1 3.35Å; K531-D627 HydrophobicContact CD-CB 3.96Å; K531-D627 WeakPolarHBondContact CD-OD1 3.25Å; K531-D627 VanDerWaalsContact CD-OD2 3.3Å; K531-D627 WeakPolarHBondContact CD-OD2 3.3Å; K531-D627 IonicContact NZ-OD2 3.37Å; K531-D627 PolarHBondContact NZ-OD2 2.89Å; N532-D627 PolarHBondContact N-OD1 2.91Å; L615-D627 HydrophobicContact CB-CB 4.17Å; L615-D627 WeakPolarHBondContact CB-O 3.17Å; L615-D627 PolarHBondContact N-O 3.44Å; S616-D627 PolarHBondContact N-O 3.4Å; S616-D627 PolarHBondContact O-N 3.21Å; S616-D627 VanDerWaalsContact OG-CB 3.24Å; S616-D627 WeakPolarHBondContact OG-CB 3.47Å; S616-D627 PolarHBondContact OG-N 3.02Å; S616-D627 PolarHBondContact OG-OD2 2.86Å
628	I	98.6	Very high	96.3	Very high	6 Å²	6	57.8 Å²	57.8	3%	0.031	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	154.1	-173.1	68.7	171.8	0	0	0	112.6	T530 V533 M588 F612 R613 A626	T530-I628 PolarHBondContact O-N 3.22Å; V533-I628 HydrophobicContact CB-CD1 4.35Å; V533-I628 HydrophobicContact CG1-CD1 4.25Å; V533-I628 HydrophobicContact CG2-CD1 3.89Å; V533-I628 HydrophobicContact CG2-CG1 3.86Å; M588-I628 HydrophobicContact CG-CD1 4.49Å; M588-I628 HydrophobicContact SD-CD1 3.66Å; F612-I628 HydrophobicContact CB-CB 4.1Å; F612-I628 HydrophobicContact CB-CD1 3.88Å; F612-I628 HydrophobicContact CB-CG1 4.42Å; F612-I628 HydrophobicContact CD1-CD1 4.13Å; F612-I628 HydrophobicContact CD2-CB 3.97Å; F612-I628 HydrophobicContact CD2-CD1 4.33Å; F612-I628 HydrophobicContact CD2-CG2 3.59Å; F612-I628 HydrophobicContact CE2-CG2 3.94Å; F612-I628 HydrophobicContact CG-CB 4.21Å; F612-I628 HydrophobicContact CG-CD1 3.87Å; F612-I628 HydrophobicContact CG-CG2 4.21Å; R613-I628 VanDerWaalsContact O-CA 3.31Å; R613-I628 WeakPolarHBondContact O-CA 3.37Å; A626-I628 HydrophobicContact CB-CG2 3.75Å
629	E	98.3	Very high	96.2	Very high	84 Å²	84	64.4 Å²	64.4	39%	0.393	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129	169.2	173.8	179	-103.7	0	0	107.7	F612 R613 L615	F612-E629 CarbonylContact C-O 3.59Å; F612-E629 WeakPolarHBondContact CA-O 3.35Å; F612-E629 WeakPolarHBondContact CB-O 3.33Å; R613-E629 IonicContact CZ-OE2 3.46Å; R613-E629 PolarHBondContact N-O 2.8Å; R613-E629 IonicContact NE-OE2 2.63Å; R613-E629 PolarHBondContact NE-OE2 3.22Å; R613-E629 IonicContact NH2-OE1 2.86Å; R613-E629 IonicContact NH2-OE2 3.57Å; R613-E629 PolarHBondContact NH2-OE2 2.99Å; R613-E629 PolarHBondContact O-N 3.34Å; L615-E629 HydrophobicContact CD1-CB 4.15Å; L615-E629 HydrophobicContact CD2-CB 3.91Å; L615-E629 HydrophobicContact CG-CB 4.1Å
630	H	98	Very high	96.2	Very high	62 Å²	62	64.2 Å²	64.2	29%	0.287	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	141.3	176.5	-66.8	-48.6	0	0	0	110.7	K610 R611	K610-H630 HydrophobicContact CD-CB 4.18Å; R611-H630 WeakPolarHBondContact O-CA 3.4Å
631	L	97.1	Very high	96.3	Very high	20 Å²	20	66.3 Å²	66.3	11%	0.105	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	127.8	174.7	-65.4	-179.5	0	0	0	110.1	Y585 R611 R613	Y585-L631 HydrophobicContact CD1-CD1 3.63Å; Y585-L631 HydrophobicContact CE1-CD1 3.82Å; R611-L631 HydrophobicContact CB-CB 4.03Å; R611-L631 PolarHBondContact O-N 3.47Å; R613-L631 HydrophobicContact CB-CD1 4.47Å; R613-L631 HydrophobicContact CB-CD2 4.23Å; R613-L631 HydrophobicContact CB-CG 4.34Å
632	E	96.6	Very high	96.5	Very high	89 Å²	89	65.1 Å²	65.1	42%	0.416	32%	0.315	S	S	.	.			trans	-125.3	152.5	176.2	-53.1	-163.8	161.8	0	0	109.1	K610 P689 T716	K610-E632 IonicContact NZ-OE1 2.76Å; K610-E632 PolarHBondContact NZ-OE1 3.39Å; E632-P689 CarbonylContact C-O 3.58Å; E632-P689 WeakPolarHBondContact CA-O 3.26Å; E632-P689 HydrophobicContact CB-CB 3.95Å; E632-P689 HydrophobicContact CG-CB 3.87Å; E632-T716 WeakPolarHBondContact O-CG2 3.33Å
633	D	96.1	Very high	96.6	Very high	22 Å²	22	68.2 Å²	68.2	12%	0.118	32%	0.321	C	S	.	.			trans	-77	140.9	-177.2	-78.1	-10.9	0	0	0	112.5	R611 R635 P689 N690 G691 T716 R721	R611-D633 IonicContact CZ-OD1 2.76Å; R611-D633 IonicContact NH1-OD1 2.86Å; R611-D633 IonicContact NH2-OD1 2.72Å; R611-D633 PolarHBondContact NH2-OD1 3.41Å; R611-D633 IonicContact NH2-OD2 3.36Å; D633-R635 PolarHBondContact O-N 3.02Å; D633-P689 PolarHBondContact N-O 3.44Å; D633-N690 VanDerWaalsContact OD2-O 3.08Å; D633-G691 PolarHBondContact OD2-N 2.71Å; D633-T716 CarbonylContact C-O 3.47Å; D633-T716 VanDerWaalsContact CA-O 3.27Å; D633-T716 WeakPolarHBondContact CA-O 3.34Å; D633-T716 WeakPolarHBondContact CB-O 3.24Å; D633-T716 WeakPolarHBondContact OD1-CA 3.35Å; D633-R721 IonicContact OD1-CZ 3.36Å; D633-R721 IonicContact OD1-NH1 3.27Å; D633-R721 IonicContact OD1-NH2 2.92Å; D633-R721 PolarHBondContact OD1-NH2 3.29Å; D633-R721 IonicContact OD2-CZ 3.79Å; D633-R721 VanDerWaalsContact OD2-CZ 3.27Å; D633-R721 IonicContact OD2-NH1 3.96Å; D633-R721 PolarHBondContact OD2-NH1 3.16Å; D633-R721 IonicContact OD2-NH2 2.71Å; D633-R721 PolarHBondContact OD2-NH2 2.98Å
634	T	96.4	Very high	96.7	Very high	91 Å²	91	73.2 Å²	73.2	56%	0.558	34%	0.343	S	S	*	.			trans	-68.6	113.9	177.4	-53.1	0	0	0	0	108.4	T716	T634-T716 PolarHBondContact N-O 3.41Å; T634-T716 PolarHBondContact OG1-OG1 2.97Å
635	R	95.8	Very high	96.7	Very high	141 Å²	141	72.4 Å²	72.4	53%	0.532	34%	0.338	S	S	.	.			trans	-69.2	142.4	179.9	-60.1	-172.7	82	84.7	1.8	110.8	D633 Q686	D633-R635 PolarHBondContact O-N 3.02Å; R635-Q686 VanDerWaalsContact CB-OE1 3.29Å; R635-Q686 VanDerWaalsContact CZ-O 3.23Å; R635-Q686 PolarHBondContact NH1-O 3.05Å; R635-Q686 PolarHBondContact NH2-O 3.44Å
636	V	96.2	Very high	96.6	Very high	36 Å²	36	74.6 Å²	74.6	22%	0.218	35%	0.348	C	S	.	.			trans	-96.2	115.4	171.1	179.7	0	0	0	0	107.8	E641 L642 L645 Q686	V636-E641 HydrophobicContact CG1-CB 3.66Å; V636-L642 HydrophobicContact CG1-CB 4.19Å; V636-L645 HydrophobicContact CG2-CD2 3.86Å; V636-Q686 PolarHBondContact O-NE2 3.08Å
637	E	94.3	Very high	96.5	Very high	187 Å²	187	81.2 Å²	81.2	87%	0.874	38%	0.379	S	S	*	.			trans	-94.3	-25.6	-178.7	-61	-171.3	162.4	0	0	113
638	D	96.6	Very high	96.4	Very high	84 Å²	84	81.5 Å²	81.5	45%	0.449	38%	0.381	S	S	.	.			trans	-69.8	134	175.1	-179.4	-97.5	0	0	0	111.1	E640 E641 L642	D638-E640 WeakPolarHBondContact OD1-CA 3.23Å; D638-E640 PolarHBondContact OD1-N 3.27Å; D638-E641 HydrophobicContact CB-CB 4.16Å; D638-E641 HydrophobicContact CB-CG 4.23Å; D638-E641 PolarHBondContact OD1-N 3.06Å; D638-L642 VanDerWaalsContact O-CB 3.26Å; D638-L642 WeakPolarHBondContact O-CB 3.17Å; D638-L642 PolarHBondContact O-N 3.09Å
639	R	94.4	Very high	96.4	Very high	182 Å²	182	81.3 Å²	81.3	69%	0.687	38%	0.379	S	S	*	.	H	α-helix	trans	-66.2	-45.9	-176.5	173.4	176.1	-68.9	-77.3	-2.6	112.1	L642 E643	R639-L642 PolarHBondContact O-N 3.3Å; R639-E643 WeakPolarHBondContact CD-OE1 3.42Å; R639-E643 HydrophobicContact CG-CG 4.48Å; R639-E643 WeakPolarHBondContact CG-OE1 3.26Å; R639-E643 IonicContact NH1-OE1 2.63Å; R639-E643 PolarHBondContact NH1-OE1 2.66Å; R639-E643 WeakPolarHBondContact O-CB 3.47Å; R639-E643 WeakPolarHBondContact O-CG 3.47Å; R639-E643 PolarHBondContact O-N 2.9Å
640	E	95.7	Very high	96.3	Very high	118 Å²	118	79 Å²	79	55%	0.551	37%	0.37	S	S	*	.	H	α-helix	trans	-72.6	-37.3	-176	-55.2	-171	-170.9	0	0	111.3	D638 L642 E643 K644	D638-E640 WeakPolarHBondContact OD1-CA 3.23Å; D638-E640 PolarHBondContact OD1-N 3.27Å; E640-L642 VanDerWaalsContact C-N 3.32Å; E640-E643 PolarHBondContact O-N 3.17Å; E640-K644 WeakPolarHBondContact O-CB 3.28Å; E640-K644 WeakPolarHBondContact O-CD 3.2Å; E640-K644 WeakPolarHBondContact O-CE 3.49Å; E640-K644 WeakPolarHBondContact O-CG 3.32Å; E640-K644 PolarHBondContact O-N 3.47Å; E640-K644 IonicContact OE2-NZ 2.72Å; E640-K644 PolarHBondContact OE2-NZ 3.09Å
641	E	95.5	Very high	96.2	Very high	102 Å²	102	78.5 Å²	78.5	48%	0.477	38%	0.377	S	S	.	.	H	α-helix	trans	-65.2	-35.7	173.3	-67	-145.3	122.9	0	0	112.1	V636 D638 L645	V636-E641 HydrophobicContact CG1-CB 3.66Å; D638-E641 HydrophobicContact CB-CB 4.16Å; D638-E641 HydrophobicContact CB-CG 4.23Å; D638-E641 PolarHBondContact OD1-N 3.06Å; E641-L645 VanDerWaalsContact O-CB 3.24Å; E641-L645 WeakPolarHBondContact O-CB 3.25Å; E641-L645 PolarHBondContact O-N 3.21Å
642	L	95.5	Very high	96.2	Very high	52 Å²	52	77.7 Å²	77.7	27%	0.272	37%	0.373	S	S	.	.	H	α-helix	trans	-68.8	-43	174	178.8	53.2	0	0	0	112	V636 D638 R639 E640 L645 Q646 I685 Q686	V636-L642 HydrophobicContact CG1-CB 4.19Å; D638-L642 VanDerWaalsContact O-CB 3.26Å; D638-L642 WeakPolarHBondContact O-CB 3.17Å; D638-L642 PolarHBondContact O-N 3.09Å; R639-L642 PolarHBondContact O-N 3.3Å; E640-L642 VanDerWaalsContact C-N 3.32Å; L642-L645 PolarHBondContact O-N 2.92Å; L642-L645 VanDerWaalsContact O-N 3.13Å; L642-Q646 PolarHBondContact O-N 3.04Å; L642-I685 HydrophobicContact CD1-CD1 4.36Å; L642-I685 HydrophobicContact CD1-CG1 4.42Å; L642-Q686 HydrophobicContact CD1-CG 4.31Å
643	E	95.8	Very high	96.3	Very high	100 Å²	100	74.6 Å²	74.6	47%	0.467	36%	0.357	S	S	.	.	H	α-helix	trans	-60.7	-46	175.3	-74.4	166.3	-165.4	0	0	110.4	R639 E640 L645 Q646 E647	R639-E643 WeakPolarHBondContact CD-OE1 3.42Å; R639-E643 HydrophobicContact CG-CG 4.48Å; R639-E643 WeakPolarHBondContact CG-OE1 3.26Å; R639-E643 IonicContact NH1-OE1 2.63Å; R639-E643 PolarHBondContact NH1-OE1 2.66Å; R639-E643 WeakPolarHBondContact O-CB 3.47Å; R639-E643 WeakPolarHBondContact O-CG 3.47Å; R639-E643 PolarHBondContact O-N 2.9Å; E640-E643 PolarHBondContact O-N 3.17Å; E643-L645 VanDerWaalsContact C-N 3.28Å; E643-L645 PolarHBondContact O-N 2.96Å; E643-Q646 PolarHBondContact O-N 2.84Å; E643-E647 WeakPolarHBondContact O-CG 3.45Å; E643-E647 PolarHBondContact O-N 3.32Å
644	K	96.8	Very high	96.3	Very high	109 Å²	109	77.4 Å²	77.4	47%	0.474	37%	0.37	S	S	.	.	H	α-helix	trans	-63	-29.8	173.3	-65.8	156.8	-158.7	161.2	0	113.1	E640 L648	E640-K644 WeakPolarHBondContact O-CB 3.28Å; E640-K644 WeakPolarHBondContact O-CD 3.2Å; E640-K644 WeakPolarHBondContact O-CE 3.49Å; E640-K644 WeakPolarHBondContact O-CG 3.32Å; E640-K644 PolarHBondContact O-N 3.47Å; E640-K644 IonicContact OE2-NZ 2.72Å; E640-K644 PolarHBondContact OE2-NZ 3.09Å; K644-L648 PolarHBondContact O-N 3.2Å
645	L	97.1	Very high	96.3	Very high	8 Å²	8	74.7 Å²	74.7	4%	0.042	35%	0.35	C	S	.	.	H	α-helix	trans	-76.8	-34.1	175.8	-176.2	61	0	0	0	112.2	V636 E641 L642 E643 L648 H649 I685 L718 K719 L722	V636-L645 HydrophobicContact CG2-CD2 3.86Å; E641-L645 VanDerWaalsContact O-CB 3.24Å; E641-L645 WeakPolarHBondContact O-CB 3.25Å; E641-L645 PolarHBondContact O-N 3.21Å; L642-L645 PolarHBondContact O-N 2.92Å; L642-L645 VanDerWaalsContact O-N 3.13Å; E643-L645 VanDerWaalsContact C-N 3.28Å; E643-L645 PolarHBondContact O-N 2.96Å; L645-L648 HydrophobicContact CD1-CD2 4.43Å; L645-L648 PolarHBondContact O-N 3.26Å; L645-H649 WeakPolarHBondContact O-CB 3.37Å; L645-H649 PolarHBondContact O-N 2.85Å; L645-I685 HydrophobicContact CB-CD1 4.37Å; L645-I685 HydrophobicContact CD2-CD1 4.17Å; L645-I685 HydrophobicContact CG-CD1 3.77Å; L645-L718 HydrophobicContact CD2-CD2 4.3Å; L645-K719 HydrophobicContact CD1-CB 3.82Å; L645-K719 HydrophobicContact CD1-CG 4.24Å; L645-L722 HydrophobicContact CD1-CD1 3.86Å
646	Q	96.5	Very high	96.3	Very high	47 Å²	47	68 Å²	68	22%	0.22	33%	0.325	C	S	.	.	H	α-helix	trans	-67.8	-43.4	172.4	-170.3	69.1	52.5	0	0	111.1	L642 E643 L648 H649 D650 I685	L642-Q646 PolarHBondContact O-N 3.04Å; E643-Q646 PolarHBondContact O-N 2.84Å; Q646-L648 VanDerWaalsContact C-N 3.31Å; Q646-L648 PolarHBondContact O-N 2.76Å; Q646-H649 PolarHBondContact NE2-ND1 2.82Å; Q646-H649 PolarHBondContact O-N 2.93Å; Q646-D650 PolarHBondContact NE2-OD1 2.86Å; Q646-D650 WeakPolarHBondContact O-CB 3.43Å; Q646-D650 PolarHBondContact O-N 3.29Å; Q646-I685 HydrophobicContact CB-CD1 4.44Å
647	E	96.6	Very high	96.2	Very high	138 Å²	138	69.1 Å²	69.1	65%	0.645	33%	0.328	S	S	*	.	H	α-helix	trans	-56.6	-44.6	172.4	-71.3	179	158.2	0	0	111.8	E643 A651	E643-E647 WeakPolarHBondContact O-CG 3.45Å; E643-E647 PolarHBondContact O-N 3.32Å; E647-A651 VanDerWaalsContact O-CB 3.29Å; E647-A651 WeakPolarHBondContact O-CB 3.3Å; E647-A651 PolarHBondContact O-N 2.79Å
648	L	97.4	Very high	96.2	Very high	34 Å²	34	63.5 Å²	63.5	18%	0.178	31%	0.306	C	S	.	.	H	α-helix	trans	-65	-43	176	177.8	62.9	0	0	0	112.3	K644 L645 Q646 V652 K719 L722 V723	K644-L648 PolarHBondContact O-N 3.2Å; L645-L648 HydrophobicContact CD1-CD2 4.43Å; L645-L648 PolarHBondContact O-N 3.26Å; Q646-L648 VanDerWaalsContact C-N 3.31Å; Q646-L648 PolarHBondContact O-N 2.76Å; L648-V652 HydrophobicContact CD1-CG2 4.24Å; L648-V652 WeakPolarHBondContact O-CB 3.3Å; L648-V652 VanDerWaalsContact O-CG2 3.29Å; L648-V652 WeakPolarHBondContact O-CG2 3.42Å; L648-V652 PolarHBondContact O-N 3.16Å; L648-K719 HydrophobicContact CD2-CG 4.25Å; L648-L722 HydrophobicContact CD2-CB 3.98Å; L648-L722 HydrophobicContact CD2-CD1 4.38Å; L648-L722 HydrophobicContact CG-CB 4.08Å; L648-L722 HydrophobicContact CG-CD1 4.28Å; L648-V723 HydrophobicContact CD2-CG2 4.07Å
649	H	97.4	Very high	96.1	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-59.5	-50.9	176.1	167.3	-95.5	0	0	0	111.4	L645 Q646 A651 V652 Y653 I685 C694 L722	L645-H649 WeakPolarHBondContact O-CB 3.37Å; L645-H649 PolarHBondContact O-N 2.85Å; Q646-H649 PolarHBondContact NE2-ND1 2.82Å; Q646-H649 PolarHBondContact O-N 2.93Å; H649-A651 PolarHBondContact O-N 3.15Å; H649-V652 PolarHBondContact O-N 3.01Å; H649-Y653 WeakPolarHBondContact O-CB 3.43Å; H649-Y653 PolarHBondContact O-N 3.49Å; H649-I685 HydrophobicContact CB-CD1 4.24Å; H649-I685 HydrophobicContact CB-CG2 4.14Å; H649-I685 WeakPolarHBondContact ND1-CG2 3.16Å; H649-C694 PolarHBondContact NE2-SG 2.8Å; H649-L722 HydrophobicContact CB-CD1 3.94Å
650	D	96.6	Very high	96	Very high	36 Å²	36	53 Å²	53	19%	0.193	26%	0.261	C	S	.	.	H	α-helix	trans	-66.4	-39.2	-176.3	-75.2	20.1	0	0	0	110.6	Q646 V652 Y653 E654 R681	Q646-D650 PolarHBondContact NE2-OD1 2.86Å; Q646-D650 WeakPolarHBondContact O-CB 3.43Å; Q646-D650 PolarHBondContact O-N 3.29Å; D650-V652 PolarHBondContact O-N 2.94Å; D650-Y653 PolarHBondContact O-N 3.02Å; D650-E654 WeakPolarHBondContact O-CG 3.28Å; D650-E654 PolarHBondContact O-N 3.41Å; D650-R681 IonicContact OD1-NE 3.68Å; D650-R681 IonicContact OD2-CZ 3.32Å; D650-R681 IonicContact OD2-NE 3.19Å; D650-R681 PolarHBondContact OD2-NE 2.85Å; D650-R681 IonicContact OD2-NH2 3.33Å; D650-R681 PolarHBondContact OD2-NH2 3.04Å
651	A	96.8	Very high	95.9	Very high	52 Å²	52	53.4 Å²	53.4	43%	0.43	26%	0.263	S	S	.	.	H	α-helix	trans	-62.1	-40.3	173.1	0	0	0	0	0	113.2	E647 H649 Q655	E647-A651 VanDerWaalsContact O-CB 3.29Å; E647-A651 WeakPolarHBondContact O-CB 3.3Å; E647-A651 PolarHBondContact O-N 2.79Å; H649-A651 PolarHBondContact O-N 3.15Å; A651-Q655 WeakPolarHBondContact O-CB 3.31Å; A651-Q655 PolarHBondContact O-N 3.4Å
652	V	97.1	Very high	95.6	Very high	3 Å²	3	54 Å²	54	2%	0.018	27%	0.269	C	S	.	.	H	α-helix	trans	-70.2	-36.8	175.4	171	0	0	0	0	111.5	L648 H649 D650 Q655 A656 L722 I725 Q726 L729	L648-V652 HydrophobicContact CD1-CG2 4.24Å; L648-V652 WeakPolarHBondContact O-CB 3.3Å; L648-V652 VanDerWaalsContact O-CG2 3.29Å; L648-V652 WeakPolarHBondContact O-CG2 3.42Å; L648-V652 PolarHBondContact O-N 3.16Å; H649-V652 PolarHBondContact O-N 3.01Å; D650-V652 PolarHBondContact O-N 2.94Å; V652-Q655 PolarHBondContact O-N 3.16Å; V652-A656 VanDerWaalsContact O-CB 3.24Å; V652-A656 WeakPolarHBondContact O-CB 3.42Å; V652-A656 PolarHBondContact O-N 2.96Å; V652-L722 HydrophobicContact CB-CD2 4.14Å; V652-L722 HydrophobicContact CG1-CD2 4.04Å; V652-L722 HydrophobicContact CG2-CD2 4.46Å; V652-I725 HydrophobicContact CG1-CB 4.35Å; V652-I725 HydrophobicContact CG1-CG2 3.78Å; V652-Q726 HydrophobicContact CG2-CB 3.76Å; V652-Q726 HydrophobicContact CG2-CG 3.9Å; V652-L729 HydrophobicContact CG1-CD1 4.27Å
653	Y	97.4	Very high	95.4	Very high	24 Å²	24	53.1 Å²	53.1	9%	0.094	27%	0.265	C	S	.	.	H	α-helix	trans	-63.5	-47.9	175.8	-178	-80.3	0	0	0	111.5	H649 D650 A656 Q657 M678 P679 R681 C694	H649-Y653 WeakPolarHBondContact O-CB 3.43Å; H649-Y653 PolarHBondContact O-N 3.49Å; D650-Y653 PolarHBondContact O-N 3.02Å; Y653-A656 WeakPolarHBondContact O-CB 3.4Å; Y653-A656 PolarHBondContact O-N 3.42Å; Y653-Q657 WeakPolarHBondContact O-CB 3.41Å; Y653-Q657 PolarHBondContact O-N 2.69Å; Y653-M678 HydrophobicContact CD1-CE 4.49Å; Y653-M678 HydrophobicContact CD2-CE 4.25Å; Y653-M678 HydrophobicContact CE1-CE 3.97Å; Y653-M678 HydrophobicContact CE2-CE 3.71Å; Y653-P679 WeakPolarHBondContact CE2-O 3.28Å; Y653-P679 PolarHBondContact OH-O 3.35Å; Y653-R681 HydrophobicContact CD1-CB 4.3Å; Y653-R681 HydrophobicContact CD1-CG 4.14Å; Y653-R681 HydrophobicContact CD2-CB 4.1Å; Y653-R681 HydrophobicContact CD2-CG 3.93Å; Y653-R681 HydrophobicContact CE1-CB 4Å; Y653-R681 HydrophobicContact CE1-CG 4.35Å; Y653-R681 HydrophobicContact CE2-CB 3.76Å; Y653-R681 HydrophobicContact CE2-CG 4.13Å; Y653-R681 HydrophobicContact CG-CB 4.37Å; Y653-R681 HydrophobicContact CG-CG 3.95Å; Y653-R681 PolarHBondContact OH-N 2.96Å; Y653-C694 HydrophobicContact CD2-CB 4.12Å; Y653-C694 HydrophobicContact CE2-CB 4.28Å
654	E	96.4	Very high	95.2	Very high	81 Å²	81	52.1 Å²	52.1	38%	0.379	26%	0.259	S	S	.	.	H	α-helix	trans	-64.9	-40.6	176.5	-64.1	-61.2	158.5	0	0	111.4	D650 A656 Q657 V658 R681	D650-E654 WeakPolarHBondContact O-CG 3.28Å; D650-E654 PolarHBondContact O-N 3.41Å; E654-A656 VanDerWaalsContact C-N 3.31Å; E654-A656 PolarHBondContact O-N 3.24Å; E654-Q657 PolarHBondContact O-N 2.91Å; E654-V658 WeakPolarHBondContact O-CG2 3.39Å; E654-V658 PolarHBondContact O-N 2.8Å; E654-R681 IonicContact OE1-NH1 3.13Å; E654-R681 PolarHBondContact OE1-NH1 3.26Å; E654-R681 VanDerWaalsContact OE1-NH1 3.13Å
655	Q	96.1	Very high	94.9	Very high	33 Å²	33	53 Å²	53	15%	0.154	27%	0.268	C	S	.	.	H	α-helix	trans	-61	-40.4	174.2	-171.3	-179.1	20.2	0	0	111.9	A651 V652 W659 L729 T730 Q733	A651-Q655 WeakPolarHBondContact O-CB 3.31Å; A651-Q655 PolarHBondContact O-N 3.4Å; V652-Q655 PolarHBondContact O-N 3.16Å; Q655-W659 WeakPolarHBondContact O-CB 3.35Å; Q655-W659 PolarHBondContact O-N 3.43Å; Q655-L729 HydrophobicContact CB-CD1 4.44Å; Q655-L729 HydrophobicContact CG-CB 4.12Å; Q655-L729 HydrophobicContact CG-CD1 4.35Å; Q655-T730 PolarHBondContact NE2-OG1 3.48Å; Q655-Q733 PolarHBondContact O-NE2 2.98Å
656	A	96	Very high	94.7	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-67.1	-41.2	176.5	0	0	0	0	0	112.5	V652 Y653 E654 W659 F660 M678 L698 L729	V652-A656 VanDerWaalsContact O-CB 3.24Å; V652-A656 WeakPolarHBondContact O-CB 3.42Å; V652-A656 PolarHBondContact O-N 2.96Å; Y653-A656 WeakPolarHBondContact O-CB 3.4Å; Y653-A656 PolarHBondContact O-N 3.42Å; E654-A656 VanDerWaalsContact C-N 3.31Å; E654-A656 PolarHBondContact O-N 3.24Å; A656-W659 PolarHBondContact O-N 2.88Å; A656-F660 WeakPolarHBondContact O-CB 3.42Å; A656-F660 PolarHBondContact O-N 3.47Å; A656-M678 HydrophobicContact CB-SD 4.29Å; A656-L698 HydrophobicContact CB-CD1 3.55Å; A656-L698 HydrophobicContact CB-CD2 3.74Å; A656-L698 HydrophobicContact CB-CG 4.29Å; A656-L729 HydrophobicContact CB-CD1 3.86Å; A656-L729 HydrophobicContact CB-CD2 4.47Å
657	Q	95	Very high	94.3	Very high	60 Å²	60	61.9 Å²	61.9	28%	0.28	30%	0.301	S	S	.	.	H	α-helix	trans	-62.9	-46.6	175.8	-175.2	168.6	-63.1	0	0	111.2	Y653 E654 F660 Q661 M678	Y653-Q657 WeakPolarHBondContact O-CB 3.41Å; Y653-Q657 PolarHBondContact O-N 2.69Å; E654-Q657 PolarHBondContact O-N 2.91Å; Q657-F660 PolarHBondContact O-N 2.99Å; Q657-Q661 WeakPolarHBondContact O-CB 3.42Å; Q657-Q661 VanDerWaalsContact O-CG 3.29Å; Q657-Q661 WeakPolarHBondContact O-CG 3.43Å; Q657-Q661 PolarHBondContact O-N 3.27Å; Q657-M678 HydrophobicContact CB-CE 3.92Å; Q657-M678 HydrophobicContact CG-CE 4.44Å
658	V	94.3	Very high	94.2	Very high	69 Å²	69	57.9 Å²	57.9	42%	0.418	28%	0.282	S	S	.	.	H	α-helix	trans	-63.5	-40.1	175.2	172.2	0	0	0	0	111.4	E654 N662	E654-V658 WeakPolarHBondContact O-CG2 3.39Å; E654-V658 PolarHBondContact O-N 2.8Å; V658-N662 WeakPolarHBondContact O-CB 3.48Å; V658-N662 PolarHBondContact O-N 3.18Å; V658-N662 PolarHBondContact O-ND2 3.41Å
659	W	93.9	Very high	93.9	Very high	27 Å²	27	60.4 Å²	60.4	10%	0.102	30%	0.296	C	S	.	.	H	α-helix	trans	-60.2	-50.4	172.9	169.4	79.6	0	0	0	111.7	Q655 A656 Q661 N662 L663 L698 V701 L702 L729 L732	Q655-W659 WeakPolarHBondContact O-CB 3.35Å; Q655-W659 PolarHBondContact O-N 3.43Å; A656-W659 PolarHBondContact O-N 2.88Å; W659-Q661 PolarHBondContact O-N 3.29Å; W659-N662 PolarHBondContact O-N 3.42Å; W659-L663 HydrophobicContact CH2-CD1 4.01Å; W659-L663 HydrophobicContact CZ2-CD1 4.16Å; W659-L663 HydrophobicContact CZ2-CD2 3.89Å; W659-L663 HydrophobicContact CZ2-CG 4.47Å; W659-L663 HydrophobicContact CZ3-CD1 4.27Å; W659-L663 PolarHBondContact O-N 2.9Å; W659-L698 HydrophobicContact CZ3-CD2 4.36Å; W659-V701 HydrophobicContact CH2-CG2 4.1Å; W659-V701 HydrophobicContact CZ3-CG2 4.06Å; W659-L702 HydrophobicContact CD2-CD2 4.35Å; W659-L702 HydrophobicContact CE3-CD2 4.33Å; W659-L702 HydrophobicContact CH2-CD2 3.6Å; W659-L702 HydrophobicContact CH2-CG 4.32Å; W659-L702 HydrophobicContact CZ2-CD2 3.6Å; W659-L702 HydrophobicContact CZ3-CD2 3.98Å; W659-L729 HydrophobicContact CB-CD2 3.99Å; W659-L729 HydrophobicContact CD2-CD2 3.93Å; W659-L729 HydrophobicContact CE3-CD2 4.13Å; W659-L729 HydrophobicContact CG-CD2 3.87Å; W659-L732 HydrophobicContact CZ2-CD1 4.5Å
660	F	93.1	Very high	93.7	Very high	18 Å²	18	63.6 Å²	63.6	8%	0.079	31%	0.311	C	S	.	.	H	α-helix	trans	-64.4	-42.3	-176.1	-177.5	-112.1	0	0	0	112.6	A656 Q657 N662 L663 H668 I671 L672 W697	A656-F660 WeakPolarHBondContact O-CB 3.42Å; A656-F660 PolarHBondContact O-N 3.47Å; Q657-F660 PolarHBondContact O-N 2.99Å; F660-N662 VanDerWaalsContact C-N 3.27Å; F660-N662 PolarHBondContact O-N 3.18Å; F660-L663 HydrophobicContact CD2-CD1 3.65Å; F660-L663 HydrophobicContact CE2-CD1 4.16Å; F660-L663 WeakPolarHBondContact O-CB 3.23Å; F660-L663 PolarHBondContact O-N 3.02Å; F660-H668 AromaticContact CE1-CD2 3.45Å; F660-H668 VanDerWaalsContact CE1-CD2 3.45Å; F660-H668 WeakPolarHBondContact CE1-CD2 3.38Å; F660-H668 AromaticContact CE1-NE2 3.44Å; F660-H668 WeakPolarHBondContact CE1-NE2 3.31Å; F660-H668 AromaticContact CE2-CD2 3.93Å; F660-H668 AromaticContact CZ-CD2 3.39Å; F660-H668 WeakPolarHBondContact CZ-CD2 3.33Å; F660-H668 AromaticContact CZ-NE2 3.71Å; F660-I671 HydrophobicContact CD2-CD1 4.36Å; F660-I671 HydrophobicContact CE2-CB 4.04Å; F660-I671 HydrophobicContact CE2-CD1 3.98Å; F660-I671 HydrophobicContact CE2-CG2 3.71Å; F660-I671 HydrophobicContact CZ-CG2 4.24Å; F660-L672 HydrophobicContact CE1-CD2 4.41Å; F660-L672 HydrophobicContact CZ-CD2 3.99Å; F660-L672 HydrophobicContact CZ-CG 4.22Å; F660-W697 AromaticContact CD2-CH2 3.73Å; F660-W697 HydrophobicContact CD2-CH2 3.73Å; F660-W697 HydrophobicContact CD2-CZ3 4.47Å; F660-W697 HydrophobicContact CE1-CH2 4.48Å; F660-W697 AromaticContact CE2-CH2 3.72Å; F660-W697 HydrophobicContact CE2-CH2 3.72Å; F660-W697 HydrophobicContact CE2-CZ2 4.3Å; F660-W697 HydrophobicContact CG-CH2 4.15Å; F660-W697 HydrophobicContact CZ-CH2 4.11Å; F660-W697 HydrophobicContact CZ-CZ2 4.43Å
661	Q	91.7	Very high	93.5	Very high	128 Å²	128	62.8 Å²	62.8	60%	0.598	31%	0.306	S	S	*	.	H	α-helix	trans	-64	-29.2	176.5	-72.7	176.5	-0.6	0	0	113.2	Q657 W659	Q657-Q661 WeakPolarHBondContact O-CB 3.42Å; Q657-Q661 VanDerWaalsContact O-CG 3.29Å; Q657-Q661 WeakPolarHBondContact O-CG 3.43Å; Q657-Q661 PolarHBondContact O-N 3.27Å; W659-Q661 PolarHBondContact O-N 3.29Å
662	N	91.1	Very high	93.2	Very high	114 Å²	114	63.5 Å²	63.5	61%	0.61	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	3.9	178.9	-75.4	-66.7	0	0	0	114	V658 W659 F660	V658-N662 WeakPolarHBondContact O-CB 3.48Å; V658-N662 PolarHBondContact O-N 3.18Å; V658-N662 PolarHBondContact O-ND2 3.41Å; W659-N662 PolarHBondContact O-N 3.42Å; F660-N662 VanDerWaalsContact C-N 3.27Å; F660-N662 PolarHBondContact O-N 3.18Å
663	L	90.7	Very high	92.9	Very high	34 Å²	34	70.8 Å²	70.8	18%	0.178	34%	0.336	C	S	.	.	S	Bend	trans	-67.5	138.7	174.8	-70.1	176.4	0	0	0	111.8	W659 F660 I665 H668 I671	W659-L663 HydrophobicContact CH2-CD1 4.01Å; W659-L663 HydrophobicContact CZ2-CD1 4.16Å; W659-L663 HydrophobicContact CZ2-CD2 3.89Å; W659-L663 HydrophobicContact CZ2-CG 4.47Å; W659-L663 HydrophobicContact CZ3-CD1 4.27Å; W659-L663 PolarHBondContact O-N 2.9Å; F660-L663 HydrophobicContact CD2-CD1 3.65Å; F660-L663 HydrophobicContact CE2-CD1 4.16Å; F660-L663 WeakPolarHBondContact O-CB 3.23Å; F660-L663 PolarHBondContact O-N 3.02Å; L663-I665 PolarHBondContact O-N 3.33Å; L663-H668 HydrophobicContact CB-CB 4.39Å; L663-I671 HydrophobicContact CD1-CD1 3.71Å
664	K	90.3	Very high	92.4	Very high	78 Å²	78	74.4 Å²	74.4	34%	0.339	35%	0.354	S	S	.	.			trans	-52.9	125.9	170.7	-59.7	-176.6	178.2	-174	0	109.1	R666 F667 N738	K664-R666 PolarHBondContact O-N 2.83Å; K664-F667 HydrophobicContact CB-CD2 4.17Å; K664-F667 PolarHBondContact O-N 2.93Å; K664-N738 PolarHBondContact NZ-O 3.45Å; K664-N738 PolarHBondContact NZ-OXT 2.94Å
665	I	91.2	Very high	92.1	Very high	129 Å²	129	73.5 Å²	73.5	66%	0.662	35%	0.349	S	S	*	.	H	α-helix	trans	-42.9	-37.6	-167.6	-63.9	169.5	0	0	0	114.3	L663 F667 H668 N669	L663-I665 PolarHBondContact O-N 3.33Å; I665-F667 VanDerWaalsContact C-N 3.3Å; I665-F667 PolarHBondContact O-N 3.01Å; I665-H668 PolarHBondContact O-N 3.03Å; I665-N669 WeakPolarHBondContact O-CB 3.25Å; I665-N669 PolarHBondContact O-N 3.39Å
666	R	92.3	Very high	91.9	Very high	159 Å²	159	72.9 Å²	72.9	60%	0.6	35%	0.352	S	S	*	.	H	α-helix	trans	-54	-42.4	176.1	72.3	-178.4	-173.3	-178.2	-1.5	113.5	K664 Q670	K664-R666 PolarHBondContact O-N 2.83Å; R666-Q670 WeakPolarHBondContact O-CB 3.43Å; R666-Q670 VanDerWaalsContact O-CG 3.23Å; R666-Q670 WeakPolarHBondContact O-CG 3.48Å; R666-Q670 PolarHBondContact O-N 3.29Å; R666-Q670 VanDerWaalsContact O-N 3.15Å
667	F	90.1	Very high	91.7	Very high	82 Å²	82	77.6 Å²	77.6	36%	0.36	38%	0.382	S	S	.	.	H	α-helix	trans	-79.3	-42.8	-177.3	-64.1	-53.5	0	0	0	111.3	K664 I665 N669 Q670 I671	K664-F667 HydrophobicContact CB-CD2 4.17Å; K664-F667 PolarHBondContact O-N 2.93Å; I665-F667 VanDerWaalsContact C-N 3.3Å; I665-F667 PolarHBondContact O-N 3.01Å; F667-N669 VanDerWaalsContact C-N 3.32Å; F667-N669 PolarHBondContact O-N 3.27Å; F667-Q670 PolarHBondContact O-N 3.14Å; F667-I671 WeakPolarHBondContact O-CG1 3.46Å; F667-I671 PolarHBondContact O-N 3.08Å
668	H	92.4	Very high	91.7	Very high	54 Å²	54	76 Å²	76	25%	0.25	38%	0.375	C	S	.	.	H	α-helix	trans	-52.5	-50.1	172.9	177.3	-89.8	0	0	0	111.1	F660 L663 I665 I671 L672	F660-H668 AromaticContact CE1-CD2 3.45Å; F660-H668 VanDerWaalsContact CE1-CD2 3.45Å; F660-H668 WeakPolarHBondContact CE1-CD2 3.38Å; F660-H668 AromaticContact CE1-NE2 3.44Å; F660-H668 WeakPolarHBondContact CE1-NE2 3.31Å; F660-H668 AromaticContact CE2-CD2 3.93Å; F660-H668 AromaticContact CZ-CD2 3.39Å; F660-H668 WeakPolarHBondContact CZ-CD2 3.33Å; F660-H668 AromaticContact CZ-NE2 3.71Å; L663-H668 HydrophobicContact CB-CB 4.39Å; I665-H668 PolarHBondContact O-N 3.03Å; H668-I671 PolarHBondContact O-N 3.47Å; H668-L672 VanDerWaalsContact CE1-CD1 3.45Å; H668-L672 WeakPolarHBondContact CE1-CD1 3.22Å; H668-L672 WeakPolarHBondContact O-CG 3.32Å; H668-L672 PolarHBondContact O-N 2.97Å
669	N	92.6	Very high	91.7	Very high	86 Å²	86	74.3 Å²	74.3	46%	0.46	37%	0.365	S	S	.	.	H	α-helix	trans	-69.2	-35.3	179.7	-66.7	-0.5	0	0	0	113	I665 F667 Q673	I665-N669 WeakPolarHBondContact O-CB 3.25Å; I665-N669 PolarHBondContact O-N 3.39Å; F667-N669 VanDerWaalsContact C-N 3.32Å; F667-N669 PolarHBondContact O-N 3.27Å; N669-Q673 WeakPolarHBondContact O-CB 3.47Å; N669-Q673 PolarHBondContact O-N 3.4Å
670	Q	92.1	Very high	91.7	Very high	69 Å²	69	81.2 Å²	81.2	32%	0.322	40%	0.399	S	S	.	.	H	α-helix	trans	-63.4	-42	173.3	-80.8	172.1	-13.8	0	0	112	R666 F667 Q673 H674	R666-Q670 WeakPolarHBondContact O-CB 3.43Å; R666-Q670 VanDerWaalsContact O-CG 3.23Å; R666-Q670 WeakPolarHBondContact O-CG 3.48Å; R666-Q670 PolarHBondContact O-N 3.29Å; R666-Q670 VanDerWaalsContact O-N 3.15Å; F667-Q670 PolarHBondContact O-N 3.14Å; Q670-Q673 PolarHBondContact O-N 3.01Å; Q670-H674 PolarHBondContact O-N 3.11Å; Q670-H674 PolarHBondContact O-ND1 2.94Å
671	I	92.1	Very high	91.7	Very high	19 Å²	19	85.8 Å²	85.8	10%	0.097	42%	0.416	C	S	.	.	H	α-helix	trans	-63.3	-51.8	176.7	-71.2	164.5	0	0	0	110.1	F660 L663 F667 H668 Q673 H674 F675 W697 V701	F660-I671 HydrophobicContact CD2-CD1 4.36Å; F660-I671 HydrophobicContact CE2-CB 4.04Å; F660-I671 HydrophobicContact CE2-CD1 3.98Å; F660-I671 HydrophobicContact CE2-CG2 3.71Å; F660-I671 HydrophobicContact CZ-CG2 4.24Å; L663-I671 HydrophobicContact CD1-CD1 3.71Å; F667-I671 WeakPolarHBondContact O-CG1 3.46Å; F667-I671 PolarHBondContact O-N 3.08Å; H668-I671 PolarHBondContact O-N 3.47Å; I671-Q673 PolarHBondContact O-N 3.3Å; I671-H674 PolarHBondContact O-N 3.46Å; I671-H674 VanDerWaalsContact O-N 3.1Å; I671-F675 HydrophobicContact CG2-CD2 4.44Å; I671-F675 PolarHBondContact O-N 2.92Å; I671-W697 HydrophobicContact CG2-CH2 3.9Å; I671-W697 HydrophobicContact CG2-CZ2 3.47Å; I671-W697 VanDerWaalsContact CG2-CZ2 3.47Å; I671-V701 HydrophobicContact CD1-CB 4.17Å; I671-V701 HydrophobicContact CG1-CB 4.25Å; I671-V701 HydrophobicContact CG1-CG1 4.34Å; I671-V701 HydrophobicContact CG2-CB 4.28Å; I671-V701 HydrophobicContact CG2-CG1 3.66Å
672	L	92.4	Very high	91.6	Very high	67 Å²	67	81.5 Å²	81.5	35%	0.351	40%	0.396	S	S	.	.	H	α-helix	trans	-56.2	-37.2	177.8	-69.5	-177.6	0	0	0	112.6	F660 H668 G676 P677	F660-L672 HydrophobicContact CE1-CD2 4.41Å; F660-L672 HydrophobicContact CZ-CD2 3.99Å; F660-L672 HydrophobicContact CZ-CG 4.22Å; H668-L672 VanDerWaalsContact CE1-CD1 3.45Å; H668-L672 WeakPolarHBondContact CE1-CD1 3.22Å; H668-L672 WeakPolarHBondContact O-CG 3.32Å; H668-L672 PolarHBondContact O-N 2.97Å; L672-G676 WeakPolarHBondContact O-CA 3.38Å; L672-G676 PolarHBondContact O-N 3.08Å; L672-P677 HydrophobicContact CD2-CB 4.19Å
673	Q	90.3	Very high	91.5	Very high	156 Å²	156	82.4 Å²	82.4	73%	0.729	41%	0.407	S	S	*	.	H	α-helix	trans	-71.1	-31.2	179.3	-173	176.8	31.6	0	0	113.9	N669 Q670 I671	N669-Q673 WeakPolarHBondContact O-CB 3.47Å; N669-Q673 PolarHBondContact O-N 3.4Å; Q670-Q673 PolarHBondContact O-N 3.01Å; I671-Q673 PolarHBondContact O-N 3.3Å
674	H	87	Confident	91.6	Very high	99 Å²	99	84.3 Å²	84.3	46%	0.458	42%	0.418	S	S	.	.	H	α-helix	trans	-102.5	-35.7	-173.4	-69.4	81.3	0	0	0	113.8	Q670 I671	Q670-H674 PolarHBondContact O-N 3.11Å; Q670-H674 PolarHBondContact O-ND1 2.94Å; I671-H674 PolarHBondContact O-N 3.46Å; I671-H674 VanDerWaalsContact O-N 3.1Å
675	F	89.4	Confident	91.8	Very high	62 Å²	62	80.6 Å²	80.6	27%	0.272	40%	0.402	S	S	.	.	H	α-helix	trans	-116.7	-10	-173.7	-57.7	-81.2	0	0	0	113.4	V545 I671 A700 V701	V545-F675 HydrophobicContact CG1-CD1 3.92Å; V545-F675 HydrophobicContact CG1-CE1 4.36Å; I671-F675 HydrophobicContact CG2-CD2 4.44Å; I671-F675 PolarHBondContact O-N 2.92Å; F675-A700 HydrophobicContact CD1-CB 4.17Å; F675-A700 HydrophobicContact CE1-CB 3.94Å; F675-V701 HydrophobicContact CB-CG1 4.11Å; F675-V701 HydrophobicContact CD1-CG1 4.46Å; F675-V701 HydrophobicContact CD2-CG1 3.7Å; F675-V701 HydrophobicContact CE2-CG1 4.18Å; F675-V701 HydrophobicContact CG-CG1 3.84Å
676	G	91.3	Very high	92	Very high	21 Å²	21	75.3 Å²	75.3	22%	0.216	37%	0.374	C	S	.	.			trans	78.5	-174.4	-171.8	0	0	0	0	0	113.1	L672 W697	L672-G676 WeakPolarHBondContact O-CA 3.38Å; L672-G676 PolarHBondContact O-N 3.08Å; G676-W697 PolarHBondContact O-NE1 3.08Å
677	P	93	Very high	92	Very high	99 Å²	99	70.9 Å²	70.9	64%	0.643	37%	0.371	S	S	*	.	S	Bend	trans	-63.5	161	172.7	30.2	-35.9	0	0	0	111.7	L672 W697	L672-P677 HydrophobicContact CD2-CB 4.19Å; P677-W697 PolarHBondContact O-NE1 3.41Å; P677-W697 VanDerWaalsContact O-NE1 3.16Å
678	M	94.8	Very high	92.1	Very high	26 Å²	26	69 Å²	69	13%	0.128	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-60.5	134	168.2	-168.1	171.6	77.7	0	0	109.2	Y653 A656 Q657 W697 L698	Y653-M678 HydrophobicContact CD1-CE 4.49Å; Y653-M678 HydrophobicContact CD2-CE 4.25Å; Y653-M678 HydrophobicContact CE1-CE 3.97Å; Y653-M678 HydrophobicContact CE2-CE 3.71Å; A656-M678 HydrophobicContact CB-SD 4.29Å; Q657-M678 HydrophobicContact CB-CE 3.92Å; Q657-M678 HydrophobicContact CG-CE 4.44Å; M678-W697 HydrophobicContact CB-CD2 4.32Å; M678-W697 HydrophobicContact CB-CE3 4.05Å; M678-W697 HydrophobicContact CB-CH2 3.74Å; M678-W697 HydrophobicContact CB-CZ2 4.02Å; M678-W697 HydrophobicContact CB-CZ3 3.75Å; M678-W697 HydrophobicContact CG-CD2 4.23Å; M678-W697 HydrophobicContact CG-CE3 3.69Å; M678-W697 HydrophobicContact CG-CH2 4.2Å; M678-W697 HydrophobicContact CG-CZ3 3.67Å; M678-W697 HydrophobicContact SD-CE3 4.37Å; M678-W697 HydrophobicContact SD-CZ3 4.02Å; M678-L698 HydrophobicContact SD-CD2 4.46Å
679	P	95.1	Very high	92.2	Very high	34 Å²	34	68.9 Å²	68.9	22%	0.221	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-56.5	145.5	174.8	-26.7	35.2	0	0	0	112.2	Y653 A693 W697	Y653-P679 WeakPolarHBondContact CE2-O 3.28Å; Y653-P679 PolarHBondContact OH-O 3.35Å; P679-A693 HydrophobicContact CB-CB 3.94Å; P679-A693 HydrophobicContact CG-CB 4Å; P679-W697 VanDerWaalsContact CD-CG 3.5Å; P679-W697 HydrophobicContact CG-CB 3.94Å; P679-W697 HydrophobicContact CG-CG 4.24Å
680	E	93.4	Very high	92.2	Very high	171 Å²	171	65.3 Å²	65.3	80%	0.799	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-62.8	157.4	175.5	-63.3	-178.9	179	0	0	111.8	E682	E680-E682 PolarHBondContact O-N 2.9Å; E680-E682 VanDerWaalsContact O-N 3.17Å
681	R	92.9	Very high	92.3	Very high	115 Å²	115	62.1 Å²	62.1	43%	0.434	34%	0.337	S	S	.	.			trans	-70.4	110.1	-178.4	-159.4	171.8	79.5	-153.1	8.5	110.8	D650 Y653 E654	D650-R681 IonicContact OD1-NE 3.68Å; D650-R681 IonicContact OD2-CZ 3.32Å; D650-R681 IonicContact OD2-NE 3.19Å; D650-R681 PolarHBondContact OD2-NE 2.85Å; D650-R681 IonicContact OD2-NH2 3.33Å; D650-R681 PolarHBondContact OD2-NH2 3.04Å; Y653-R681 HydrophobicContact CD1-CB 4.3Å; Y653-R681 HydrophobicContact CD1-CG 4.14Å; Y653-R681 HydrophobicContact CD2-CB 4.1Å; Y653-R681 HydrophobicContact CD2-CG 3.93Å; Y653-R681 HydrophobicContact CE1-CB 4Å; Y653-R681 HydrophobicContact CE1-CG 4.35Å; Y653-R681 HydrophobicContact CE2-CB 3.76Å; Y653-R681 HydrophobicContact CE2-CG 4.13Å; Y653-R681 HydrophobicContact CG-CB 4.37Å; Y653-R681 HydrophobicContact CG-CG 3.95Å; Y653-R681 PolarHBondContact OH-N 2.96Å; E654-R681 IonicContact OE1-NH1 3.13Å; E654-R681 PolarHBondContact OE1-NH1 3.26Å; E654-R681 VanDerWaalsContact OE1-NH1 3.13Å
682	E	90.1	Very high	92.5	Very high	38 Å²	38	61.2 Å²	61.2	18%	0.178	33%	0.333	C	S	.	.			trans	-65.7	133.3	179.4	-71.6	172.5	-139.9	0	0	111.6	E680 P692 A693	E680-E682 PolarHBondContact O-N 2.9Å; E680-E682 VanDerWaalsContact O-N 3.17Å; E682-P692 WeakPolarHBondContact OE1-CA 3.49Å; E682-A693 VanDerWaalsContact OE1-CB 3.3Å; E682-A693 WeakPolarHBondContact OE1-CB 3.49Å; E682-A693 PolarHBondContact OE1-N 2.67Å
683	P	88.3	Confident	92.6	Very high	132 Å²	132	58.7 Å²	58.7	86%	0.857	32%	0.321	S	S	*	.	S	Bend	trans	-82.1	-16.4	-178.6	33	-36.5	0	0	0	113.9
684	D	93.3	Very high	92.9	Very high	74 Å²	74	51.4 Å²	51.4	40%	0.396	29%	0.288	S	S	.	.			trans	-125.5	100.9	167.1	169.4	16.4	0	0	0	107.7	Q686 A687	D684-Q686 PolarHBondContact O-N 3.2Å; D684-Q686 VanDerWaalsContact O-N 3.09Å; D684-Q686 WeakPolarHBondContact OD1-CA 3.36Å; D684-Q686 WeakPolarHBondContact OD1-CB 3.29Å; D684-Q686 PolarHBondContact OD1-N 3.32Å; D684-A687 HydrophobicContact CB-CB 4.09Å; D684-A687 WeakPolarHBondContact O-CB 3.38Å; D684-A687 PolarHBondContact O-N 3.36Å; D684-A687 PolarHBondContact OD1-N 2.93Å; D684-A687 WeakPolarHBondContact OD2-CA 3.47Å; D684-A687 PolarHBondContact OD2-N 2.63Å
685	I	93.9	Very high	93.3	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-6.5	-179.8	61.1	173.8	0	0	0	113.8	L642 L645 Q646 H649 P692 L718	L642-I685 HydrophobicContact CD1-CD1 4.36Å; L642-I685 HydrophobicContact CD1-CG1 4.42Å; L645-I685 HydrophobicContact CB-CD1 4.37Å; L645-I685 HydrophobicContact CD2-CD1 4.17Å; L645-I685 HydrophobicContact CG-CD1 3.77Å; Q646-I685 HydrophobicContact CB-CD1 4.44Å; H649-I685 HydrophobicContact CB-CD1 4.24Å; H649-I685 HydrophobicContact CB-CG2 4.14Å; H649-I685 WeakPolarHBondContact ND1-CG2 3.16Å; I685-P692 HydrophobicContact CB-CG 3.75Å; I685-P692 HydrophobicContact CG2-CG 3.94Å; I685-P692 WeakPolarHBondContact O-CD 3.32Å; I685-L718 HydrophobicContact CB-CD2 4.2Å; I685-L718 HydrophobicContact CD1-CD2 4.12Å; I685-L718 HydrophobicContact CG1-CD2 4.28Å
686	Q	94.4	Very high	93.7	Very high	18 Å²	18	43.9 Å²	43.9	8%	0.084	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	9.8	174.1	-51.3	-165.6	70.8	0	0	112.4	R635 V636 L642 D684 T688	R635-Q686 VanDerWaalsContact CB-OE1 3.29Å; R635-Q686 VanDerWaalsContact CZ-O 3.23Å; R635-Q686 PolarHBondContact NH1-O 3.05Å; R635-Q686 PolarHBondContact NH2-O 3.44Å; V636-Q686 PolarHBondContact O-NE2 3.08Å; L642-Q686 HydrophobicContact CD1-CG 4.31Å; D684-Q686 PolarHBondContact O-N 3.2Å; D684-Q686 VanDerWaalsContact O-N 3.09Å; D684-Q686 WeakPolarHBondContact OD1-CA 3.36Å; D684-Q686 WeakPolarHBondContact OD1-CB 3.29Å; D684-Q686 PolarHBondContact OD1-N 3.32Å; Q686-T688 VanDerWaalsContact C-N 3.28Å; Q686-T688 PolarHBondContact O-N 2.86Å
687	A	92.8	Very high	93.9	Very high	65 Å²	65	43.2 Å²	43.2	54%	0.537	25%	0.245	S	C	.	.	S	Bend	trans	-61.5	-35.7	-177.5	0	0	0	0	0	112.8	D684	D684-A687 HydrophobicContact CB-CB 4.09Å; D684-A687 WeakPolarHBondContact O-CB 3.38Å; D684-A687 PolarHBondContact O-N 3.36Å; D684-A687 PolarHBondContact OD1-N 2.93Å; D684-A687 WeakPolarHBondContact OD2-CA 3.47Å; D684-A687 PolarHBondContact OD2-N 2.63Å
688	T	93	Very high	94.1	Very high	43 Å²	43	38.7 Å²	38.7	26%	0.264	22%	0.215	S	C	.	.	S	Bend	trans	-104	149	178.3	108.2	0	0	0	0	111.7	Q686 N690 G691	Q686-T688 VanDerWaalsContact C-N 3.28Å; Q686-T688 PolarHBondContact O-N 2.86Å; T688-N690 PolarHBondContact O-N 2.72Å; T688-N690 PolarHBondContact OG1-N 3.19Å; T688-G691 PolarHBondContact O-N 2.81Å; T688-G691 PolarHBondContact OG1-N 2.54Å; T688-G691 PolarHBondContact OG1-O 2.62Å
689	P	93.3	Very high	94.1	Very high	51 Å²	51	37.4 Å²	37.4	33%	0.331	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	0.8	174.2	29	-35.6	0	0	0	114	E632 D633	E632-P689 CarbonylContact C-O 3.58Å; E632-P689 WeakPolarHBondContact CA-O 3.26Å; E632-P689 HydrophobicContact CB-CB 3.95Å; E632-P689 HydrophobicContact CG-CB 3.87Å; D633-P689 PolarHBondContact N-O 3.44Å
690	N	94.3	Very high	94.1	Very high	12 Å²	12	36.7 Å²	36.7	6%	0.064	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	8.8	171.4	-56.4	-85.3	0	0	0	112.3	P543 R611 D633 T688 W696 R721	P543-N690 HydrophobicContact CB-CB 3.92Å; P543-N690 HydrophobicContact CG-CB 3.82Å; R611-N690 PolarHBondContact NE-OD1 2.95Å; D633-N690 VanDerWaalsContact OD2-O 3.08Å; T688-N690 PolarHBondContact O-N 2.72Å; T688-N690 PolarHBondContact OG1-N 3.19Å; N690-W696 HydrophobicContact CB-CZ2 4.18Å; N690-W696 VanDerWaalsContact O-CE2 3.32Å; N690-W696 WeakPolarHBondContact O-CZ2 3.46Å; N690-W696 PolarHBondContact O-NE1 3.49Å; N690-R721 PolarHBondContact O-NH1 2.91Å; N690-R721 VanDerWaalsContact O-NH1 3.09Å
691	G	93.6	Very high	94.1	Very high	2 Å²	2	29.4 Å²	29.4	2%	0.021	17%	0.172	C	C	.	.			trans	64.9	-160.2	-169	0	0	0	0	0	112.7	D633 T688	D633-G691 PolarHBondContact OD2-N 2.71Å; T688-G691 PolarHBondContact O-N 2.81Å; T688-G691 PolarHBondContact OG1-N 2.54Å; T688-G691 PolarHBondContact OG1-O 2.62Å
692	P	95.7	Very high	94	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.153	C	C	.	.			trans	-72.2	141.5	-168.3	-22.7	35.9	0	0	0	115	E682 I685 C694 C695 W696 L718	E682-P692 WeakPolarHBondContact OE1-CA 3.49Å; I685-P692 HydrophobicContact CB-CG 3.75Å; I685-P692 HydrophobicContact CG2-CG 3.94Å; I685-P692 WeakPolarHBondContact O-CD 3.32Å; P692-C694 VanDerWaalsContact C-N 3.29Å; P692-C694 PolarHBondContact O-N 3.25Å; P692-C695 WeakPolarHBondContact O-CB 3.16Å; P692-C695 PolarHBondContact O-N 2.94Å; P692-W696 VanDerWaalsContact O-CD1 3.25Å; P692-L718 HydrophobicContact CG-CD2 4.39Å
693	A	95.6	Very high	94	Very high	13 Å²	13	27.1 Å²	27.1	11%	0.107	18%	0.176	C	C	.	.	H	α-helix	trans	-60.1	-35	176.3	0	0	0	0	0	112.9	T544 P679 E682 C695 W696 W697	T544-A693 HydrophobicContact CG2-CB 4.07Å; T544-A693 WeakPolarHBondContact OG1-CB 3.44Å; P679-A693 HydrophobicContact CB-CB 3.94Å; P679-A693 HydrophobicContact CG-CB 4Å; E682-A693 VanDerWaalsContact OE1-CB 3.3Å; E682-A693 WeakPolarHBondContact OE1-CB 3.49Å; E682-A693 PolarHBondContact OE1-N 2.67Å; A693-C695 VanDerWaalsContact C-N 3.28Å; A693-C695 PolarHBondContact O-N 3.37Å; A693-W696 PolarHBondContact O-N 3.4Å; A693-W696 VanDerWaalsContact O-N 3.11Å; A693-W697 PolarHBondContact O-N 2.65Å
694	C	95.8	Very high	94.1	Very high	4 Å²	4	22 Å²	22	3%	0.027	14%	0.141	C	C	.	.	H	α-helix	trans	-57.3	-39.5	177.8	64.5	0	0	0	0	112.2	H649 Y653 P692 W696 W697 L698	H649-C694 PolarHBondContact NE2-SG 2.8Å; Y653-C694 HydrophobicContact CD2-CB 4.12Å; Y653-C694 HydrophobicContact CE2-CB 4.28Å; P692-C694 VanDerWaalsContact C-N 3.29Å; P692-C694 PolarHBondContact O-N 3.25Å; C694-W696 VanDerWaalsContact C-N 3.31Å; C694-W696 PolarHBondContact O-N 3.12Å; C694-W697 PolarHBondContact O-N 3.05Å; C694-L698 WeakPolarHBondContact O-CB 3.35Å; C694-L698 VanDerWaalsContact O-CG 3.23Å; C694-L698 WeakPolarHBondContact O-CG 3.31Å; C694-L698 PolarHBondContact O-N 3.37Å
695	C	96.2	Very high	94	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.014	15%	0.146	C	C	.	.	H	α-helix	trans	-61.2	-40.5	177.6	-66.9	0	0	0	0	111.7	P692 A693 L699 I725	P692-C695 WeakPolarHBondContact O-CB 3.16Å; P692-C695 PolarHBondContact O-N 2.94Å; A693-C695 VanDerWaalsContact C-N 3.28Å; A693-C695 PolarHBondContact O-N 3.37Å; C695-L699 WeakPolarHBondContact O-CD1 3.45Å; C695-L699 VanDerWaalsContact O-CG 3.29Å; C695-L699 WeakPolarHBondContact O-CG 2.95Å; C695-L699 PolarHBondContact O-N 3.06Å; C695-L699 VanDerWaalsContact O-N 3.11Å; C695-I725 HydrophobicContact CB-CD1 3.95Å
696	W	96.8	Very high	93.8	Very high	1 Å²	1	25.6 Å²	25.6	0%	0.004	16%	0.163	C	C	.	.	H	α-helix	trans	-76.5	-39.1	-177.9	-61.3	117.6	0	0	0	112.6	Y542 P543 V545 N690 P692 A693 C694 L699 A700 L713 R721	Y542-W696 AromaticContact CD1-CE3 3.91Å; Y542-W696 HydrophobicContact CD1-CE3 3.91Å; Y542-W696 HydrophobicContact CD1-CZ3 4.38Å; P543-W696 HydrophobicContact CB-CD2 4.39Å; P543-W696 HydrophobicContact CB-CG 4.09Å; P543-W696 HydrophobicContact CG-CD2 4.02Å; P543-W696 HydrophobicContact CG-CG 4.24Å; P543-W696 HydrophobicContact CG-CZ2 4.31Å; P543-W696 VanDerWaalsContact O-CB 3.24Å; P543-W696 WeakPolarHBondContact O-CB 3.33Å; V545-W696 HydrophobicContact CG2-CB 4.25Å; N690-W696 HydrophobicContact CB-CZ2 4.18Å; N690-W696 VanDerWaalsContact O-CE2 3.32Å; N690-W696 WeakPolarHBondContact O-CZ2 3.46Å; N690-W696 PolarHBondContact O-NE1 3.49Å; P692-W696 VanDerWaalsContact O-CD1 3.25Å; A693-W696 PolarHBondContact O-N 3.4Å; A693-W696 VanDerWaalsContact O-N 3.11Å; C694-W696 VanDerWaalsContact C-N 3.31Å; C694-W696 PolarHBondContact O-N 3.12Å; W696-L699 HydrophobicContact CE3-CD1 3.81Å; W696-L699 HydrophobicContact CZ3-CD1 3.84Å; W696-L699 PolarHBondContact O-N 3.39Å; W696-A700 PolarHBondContact O-N 3.32Å; W696-A700 VanDerWaalsContact O-N 3.17Å; W696-L713 HydrophobicContact CE3-CD1 4.38Å; W696-L713 HydrophobicContact CH2-CD1 4.36Å; W696-L713 HydrophobicContact CZ3-CD1 3.81Å; W696-R721 VanDerWaalsContact CH2-CZ 3.5Å
697	W	96.8	Very high	93.6	Very high	7 Å²	7	34.2 Å²	34.2	3%	0.027	20%	0.195	C	C	.	.	H	α-helix	trans	-60.6	-45.3	170.8	-175.3	97.6	0	0	0	111	F660 I671 G676 P677 M678 P679 A693 C694 L699 A700 V701	F660-W697 AromaticContact CD2-CH2 3.73Å; F660-W697 HydrophobicContact CD2-CH2 3.73Å; F660-W697 HydrophobicContact CD2-CZ3 4.47Å; F660-W697 HydrophobicContact CE1-CH2 4.48Å; F660-W697 AromaticContact CE2-CH2 3.72Å; F660-W697 HydrophobicContact CE2-CH2 3.72Å; F660-W697 HydrophobicContact CE2-CZ2 4.3Å; F660-W697 HydrophobicContact CG-CH2 4.15Å; F660-W697 HydrophobicContact CZ-CH2 4.11Å; F660-W697 HydrophobicContact CZ-CZ2 4.43Å; I671-W697 HydrophobicContact CG2-CH2 3.9Å; I671-W697 HydrophobicContact CG2-CZ2 3.47Å; I671-W697 VanDerWaalsContact CG2-CZ2 3.47Å; G676-W697 PolarHBondContact O-NE1 3.08Å; P677-W697 PolarHBondContact O-NE1 3.41Å; P677-W697 VanDerWaalsContact O-NE1 3.16Å; M678-W697 HydrophobicContact CB-CD2 4.32Å; M678-W697 HydrophobicContact CB-CE3 4.05Å; M678-W697 HydrophobicContact CB-CH2 3.74Å; M678-W697 HydrophobicContact CB-CZ2 4.02Å; M678-W697 HydrophobicContact CB-CZ3 3.75Å; M678-W697 HydrophobicContact CG-CD2 4.23Å; M678-W697 HydrophobicContact CG-CE3 3.69Å; M678-W697 HydrophobicContact CG-CH2 4.2Å; M678-W697 HydrophobicContact CG-CZ3 3.67Å; M678-W697 HydrophobicContact SD-CE3 4.37Å; M678-W697 HydrophobicContact SD-CZ3 4.02Å; P679-W697 VanDerWaalsContact CD-CG 3.5Å; P679-W697 HydrophobicContact CG-CB 3.94Å; P679-W697 HydrophobicContact CG-CG 4.24Å; A693-W697 PolarHBondContact O-N 2.65Å; C694-W697 PolarHBondContact O-N 3.05Å; W697-L699 PolarHBondContact O-N 3Å; W697-A700 WeakPolarHBondContact O-CB 3.35Å; W697-A700 PolarHBondContact O-N 2.99Å; W697-A700 VanDerWaalsContact O-N 3.09Å; W697-V701 HydrophobicContact CD2-CG1 4.15Å; W697-V701 HydrophobicContact CD2-CG2 4.42Å; W697-V701 HydrophobicContact CE3-CG1 4.38Å; W697-V701 HydrophobicContact CE3-CG2 3.84Å; W697-V701 HydrophobicContact CH2-CG1 4.42Å; W697-V701 HydrophobicContact CH2-CG2 4.16Å; W697-V701 HydrophobicContact CZ2-CG1 4.18Å; W697-V701 HydrophobicContact CZ3-CG2 3.7Å; W697-V701 PolarHBondContact O-N 3.1Å; W697-V701 VanDerWaalsContact O-N 3.08Å
698	L	96.1	Very high	93.6	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.016	19%	0.187	C	C	.	.	H	α-helix	trans	-59.6	-47.2	176.7	-73.7	167.6	0	0	0	112.1	A656 W659 M678 C694 A700 V701 L702 I725	A656-L698 HydrophobicContact CB-CD1 3.55Å; A656-L698 HydrophobicContact CB-CD2 3.74Å; A656-L698 HydrophobicContact CB-CG 4.29Å; W659-L698 HydrophobicContact CZ3-CD2 4.36Å; M678-L698 HydrophobicContact SD-CD2 4.46Å; C694-L698 WeakPolarHBondContact O-CB 3.35Å; C694-L698 VanDerWaalsContact O-CG 3.23Å; C694-L698 WeakPolarHBondContact O-CG 3.31Å; C694-L698 PolarHBondContact O-N 3.37Å; L698-A700 PolarHBondContact O-N 3.46Å; L698-V701 PolarHBondContact O-N 3.46Å; L698-L702 HydrophobicContact CB-CD1 4.02Å; L698-L702 VanDerWaalsContact O-CB 3.26Å; L698-L702 WeakPolarHBondContact O-CB 3.47Å; L698-L702 WeakPolarHBondContact O-CD1 3.29Å; L698-L702 WeakPolarHBondContact O-CG 3.47Å; L698-L702 PolarHBondContact O-N 3.49Å; L698-I725 HydrophobicContact CD1-CG2 4.16Å
699	L	95.1	Very high	93.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.6	-22.9	177	-70.4	166.1	0	0	0	113.7	Y542 C695 W696 W697 I704 Q709 V712 I725	Y542-L699 HydrophobicContact CD1-CB 4.25Å; Y542-L699 HydrophobicContact CE1-CB 3.89Å; Y542-L699 PolarHBondContact OH-O 2.9Å; C695-L699 WeakPolarHBondContact O-CD1 3.45Å; C695-L699 VanDerWaalsContact O-CG 3.29Å; C695-L699 WeakPolarHBondContact O-CG 2.95Å; C695-L699 PolarHBondContact O-N 3.06Å; C695-L699 VanDerWaalsContact O-N 3.11Å; W696-L699 HydrophobicContact CE3-CD1 3.81Å; W696-L699 HydrophobicContact CZ3-CD1 3.84Å; W696-L699 PolarHBondContact O-N 3.39Å; W697-L699 PolarHBondContact O-N 3Å; L699-I704 HydrophobicContact CD2-CD1 4.03Å; L699-Q709 PolarHBondContact O-NE2 2.79Å; L699-V712 HydrophobicContact CD1-CB 4.3Å; L699-V712 HydrophobicContact CD1-CG1 3.55Å; L699-V712 HydrophobicContact CD2-CB 4.17Å; L699-V712 HydrophobicContact CD2-CG1 3.88Å; L699-V712 HydrophobicContact CD2-CG2 4.42Å; L699-V712 HydrophobicContact CG-CG1 4.38Å; L699-I725 HydrophobicContact CD1-CD1 4.33Å; L699-I725 HydrophobicContact CD2-CG1 4.18Å; L699-I725 HydrophobicContact CG-CD1 4.18Å; L699-I725 HydrophobicContact CG-CG1 4.38Å
700	A	94.2	Very high	93.7	Very high	18 Å²	18	33.5 Å²	33.5	15%	0.149	17%	0.171	C	C	.	.	H	α-helix	trans	-82.8	-32	175.4	0	0	0	0	0	114	Y542 V545 F675 W696 W697 L698	Y542-A700 HydrophobicContact CD2-CB 3.7Å; Y542-A700 HydrophobicContact CE2-CB 3.81Å; V545-A700 HydrophobicContact CG1-CB 3.97Å; V545-A700 HydrophobicContact CG2-CB 4.23Å; F675-A700 HydrophobicContact CD1-CB 4.17Å; F675-A700 HydrophobicContact CE1-CB 3.94Å; W696-A700 PolarHBondContact O-N 3.32Å; W696-A700 VanDerWaalsContact O-N 3.17Å; W697-A700 WeakPolarHBondContact O-CB 3.35Å; W697-A700 PolarHBondContact O-N 2.99Å; W697-A700 VanDerWaalsContact O-N 3.09Å; L698-A700 PolarHBondContact O-N 3.46Å
701	V	93.8	Very high	93.8	Very high	18 Å²	18	35.3 Å²	35.3	11%	0.109	19%	0.185	C	C	.	.	H	α-helix	trans	-97.2	-21.7	-177.2	-55	0	0	0	0	114.2	W659 I671 F675 W697 L698	W659-V701 HydrophobicContact CH2-CG2 4.1Å; W659-V701 HydrophobicContact CZ3-CG2 4.06Å; I671-V701 HydrophobicContact CD1-CB 4.17Å; I671-V701 HydrophobicContact CG1-CB 4.25Å; I671-V701 HydrophobicContact CG1-CG1 4.34Å; I671-V701 HydrophobicContact CG2-CB 4.28Å; I671-V701 HydrophobicContact CG2-CG1 3.66Å; F675-V701 HydrophobicContact CB-CG1 4.11Å; F675-V701 HydrophobicContact CD1-CG1 4.46Å; F675-V701 HydrophobicContact CD2-CG1 3.7Å; F675-V701 HydrophobicContact CE2-CG1 4.18Å; F675-V701 HydrophobicContact CG-CG1 3.84Å; W697-V701 HydrophobicContact CD2-CG1 4.15Å; W697-V701 HydrophobicContact CD2-CG2 4.42Å; W697-V701 HydrophobicContact CE3-CG1 4.38Å; W697-V701 HydrophobicContact CE3-CG2 3.84Å; W697-V701 HydrophobicContact CH2-CG1 4.42Å; W697-V701 HydrophobicContact CH2-CG2 4.16Å; W697-V701 HydrophobicContact CZ2-CG1 4.18Å; W697-V701 HydrophobicContact CZ3-CG2 3.7Å; W697-V701 PolarHBondContact O-N 3.1Å; W697-V701 VanDerWaalsContact O-N 3.08Å; L698-V701 PolarHBondContact O-N 3.46Å
702	L	92.1	Very high	93.9	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.021	18%	0.184	C	C	.	.	S	Bend	trans	-74.2	136.8	179.7	-71.7	166.5	0	0	0	111	W659 L698 I704 I728 L729 L732	W659-L702 HydrophobicContact CD2-CD2 4.35Å; W659-L702 HydrophobicContact CE3-CD2 4.33Å; W659-L702 HydrophobicContact CH2-CD2 3.6Å; W659-L702 HydrophobicContact CH2-CG 4.32Å; W659-L702 HydrophobicContact CZ2-CD2 3.6Å; W659-L702 HydrophobicContact CZ3-CD2 3.98Å; L698-L702 HydrophobicContact CB-CD1 4.02Å; L698-L702 VanDerWaalsContact O-CB 3.26Å; L698-L702 WeakPolarHBondContact O-CB 3.47Å; L698-L702 WeakPolarHBondContact O-CD1 3.29Å; L698-L702 WeakPolarHBondContact O-CG 3.47Å; L698-L702 PolarHBondContact O-N 3.49Å; L702-I704 VanDerWaalsContact C-N 3.29Å; L702-I704 HydrophobicContact CB-CD1 3.5Å; L702-I704 VanDerWaalsContact CB-CD1 3.5Å; L702-I704 HydrophobicContact CB-CG1 3.8Å; L702-I704 HydrophobicContact CD1-CD1 4.18Å; L702-I704 HydrophobicContact CG-CD1 4.49Å; L702-I704 PolarHBondContact O-N 3.11Å; L702-I728 HydrophobicContact CD1-CG2 4.14Å; L702-I728 HydrophobicContact CD2-CG2 4.39Å; L702-L729 HydrophobicContact CD2-CD2 3.96Å; L702-L732 HydrophobicContact CD2-CD1 3.51Å
703	P	88.4	Confident	93.9	Very high	102 Å²	102	35.4 Å²	35.4	66%	0.662	18%	0.184	S	C	*	.			trans	-76.6	76	-178.2	32.4	-36.4	0	0	0	111.6	L732	P703-L732 HydrophobicContact CG-CD1 4.32Å; P703-L732 HydrophobicContact CG-CD2 4.06Å
704	I	90.8	Very high	94	Very high	25 Å²	25	36.3 Å²	36.3	13%	0.128	19%	0.19	C	C	.	.			trans	-113	143.8	-174.7	-54.7	159.4	0	0	0	109.6	L699 L702 Y708 Q709 I728	L699-I704 HydrophobicContact CD2-CD1 4.03Å; L702-I704 VanDerWaalsContact C-N 3.29Å; L702-I704 HydrophobicContact CB-CD1 3.5Å; L702-I704 VanDerWaalsContact CB-CD1 3.5Å; L702-I704 HydrophobicContact CB-CG1 3.8Å; L702-I704 HydrophobicContact CD1-CD1 4.18Å; L702-I704 HydrophobicContact CG-CD1 4.49Å; L702-I704 PolarHBondContact O-N 3.11Å; I704-Y708 HydrophobicContact CG2-CD1 3.8Å; I704-Y708 HydrophobicContact CG2-CG 4.15Å; I704-Q709 HydrophobicContact CB-CG 3.74Å; I704-Q709 HydrophobicContact CG2-CG 3.76Å; I704-I728 HydrophobicContact CD1-CD1 3.81Å; I704-I728 HydrophobicContact CD1-CG2 4.3Å; I704-I728 HydrophobicContact CG1-CD1 4.23Å; I704-I728 HydrophobicContact CG1-CG2 4.15Å
705	D	90.8	Very high	94	Very high	91 Å²	91	38.1 Å²	38.1	49%	0.487	20%	0.199	S	C	.	.			trans	-58.5	133.6	172	173.8	-91.1	0	0	0	111.8	R707 Y708 Q709	D705-R707 PolarHBondContact O-N 2.83Å; D705-R707 VanDerWaalsContact O-N 3.1Å; D705-R707 WeakPolarHBondContact OD1-CA 3.44Å; D705-R707 WeakPolarHBondContact OD1-CB 3.37Å; D705-R707 WeakPolarHBondContact OD1-CG 3.37Å; D705-R707 PolarHBondContact OD1-N 3.47Å; D705-Y708 WeakPolarHBondContact O-CA 3.33Å; D705-Y708 WeakPolarHBondContact O-CB 3.39Å; D705-Y708 PolarHBondContact O-N 3.4Å; D705-Y708 PolarHBondContact OD1-N 3.1Å; D705-Q709 PolarHBondContact O-N 2.77Å
706	P	89.9	Confident	94	Very high	58 Å²	58	40.6 Å²	40.6	38%	0.377	21%	0.214	S	C	.	.	H	α-helix	trans	-57.4	-25.7	-177.7	-30	37	0	0	0	116.2	M540 I575 L710	M540-P706 HydrophobicContact CG-CB 4.37Å; I575-P706 HydrophobicContact CD1-CB 4.32Å; P706-L710 WeakPolarHBondContact O-CB 3.26Å; P706-L710 PolarHBondContact O-N 2.96Å
707	R	89.8	Confident	94.1	Very high	200 Å²	200	42.1 Å²	42.1	76%	0.755	22%	0.224	S	C	*	.	H	α-helix	trans	-76	-35.8	175.9	-48.2	175.7	-179.1	-169.4	0.2	110.9	D705 S711	D705-R707 PolarHBondContact O-N 2.83Å; D705-R707 VanDerWaalsContact O-N 3.1Å; D705-R707 WeakPolarHBondContact OD1-CA 3.44Å; D705-R707 WeakPolarHBondContact OD1-CB 3.37Å; D705-R707 WeakPolarHBondContact OD1-CG 3.37Å; D705-R707 PolarHBondContact OD1-N 3.47Å; R707-S711 PolarHBondContact O-N 3.41Å
708	Y	93.6	Very high	94.1	Very high	92 Å²	92	42.3 Å²	42.3	36%	0.361	23%	0.226	S	C	.	.	H	α-helix	trans	-69.2	-43.3	171	-165.1	-74.5	0	0	0	110.7	I704 D705 L710 S711 V712 K724 I728	I704-Y708 HydrophobicContact CG2-CD1 3.8Å; I704-Y708 HydrophobicContact CG2-CG 4.15Å; D705-Y708 WeakPolarHBondContact O-CA 3.33Å; D705-Y708 WeakPolarHBondContact O-CB 3.39Å; D705-Y708 PolarHBondContact O-N 3.4Å; D705-Y708 PolarHBondContact OD1-N 3.1Å; Y708-L710 VanDerWaalsContact C-N 3.3Å; Y708-L710 PolarHBondContact O-N 3.21Å; Y708-S711 WeakPolarHBondContact O-CA 3.34Å; Y708-S711 WeakPolarHBondContact O-CB 3.47Å; Y708-S711 PolarHBondContact O-N 2.99Å; Y708-S711 VanDerWaalsContact O-N 3.07Å; Y708-V712 HydrophobicContact CD1-CG2 3.9Å; Y708-V712 HydrophobicContact CE1-CG2 3.66Å; Y708-V712 WeakPolarHBondContact O-CG2 3.44Å; Y708-V712 PolarHBondContact O-N 3.19Å; Y708-V712 VanDerWaalsContact O-N 3.08Å; Y708-K724 HydrophobicContact CE1-CD 4.08Å; Y708-K724 WeakPolarHBondContact OH-CD 3.22Å; Y708-K724 WeakPolarHBondContact OH-CG 3.23Å; Y708-I728 HydrophobicContact CD1-CD1 4.48Å; Y708-I728 HydrophobicContact CE1-CD1 3.92Å
709	Q	94.5	Very high	94.1	Very high	20 Å²	20	47.4 Å²	47.4	9%	0.093	25%	0.248	C	C	.	.	H	α-helix	trans	-54.7	-45.3	172.1	-71.4	178.7	-38.4	0	0	111.7	M540 Y542 L699 I704 D705 S711 V712 L713	M540-Q709 HydrophobicContact CE-CB 4.07Å; M540-Q709 HydrophobicContact CG-CB 4.27Å; Y542-Q709 VanDerWaalsContact OH-CB 3.29Å; Y542-Q709 WeakPolarHBondContact OH-CB 3.36Å; Y542-Q709 WeakPolarHBondContact OH-CG 3.3Å; Y542-Q709 PolarHBondContact OH-NE2 2.97Å; Y542-Q709 VanDerWaalsContact OH-NE2 3.1Å; Y542-Q709 PolarHBondContact OH-OE1 2.69Å; L699-Q709 PolarHBondContact O-NE2 2.79Å; I704-Q709 HydrophobicContact CB-CG 3.74Å; I704-Q709 HydrophobicContact CG2-CG 3.76Å; D705-Q709 PolarHBondContact O-N 2.77Å; Q709-S711 PolarHBondContact O-N 2.72Å; Q709-V712 PolarHBondContact O-N 2.7Å; Q709-V712 VanDerWaalsContact O-N 3.12Å; Q709-L713 PolarHBondContact O-N 2.94Å
710	L	94.9	Very high	94.2	Very high	31 Å²	31	51.4 Å²	51.4	16%	0.162	27%	0.269	C	S	.	.	H	α-helix	trans	-59.6	-43	174.2	-172.9	74.8	0	0	0	112.3	M540 I575 A583 P706 Y708 V712 L713 S714	M540-L710 HydrophobicContact CE-CB 4.35Å; M540-L710 HydrophobicContact CE-CD1 4.37Å; M540-L710 HydrophobicContact SD-CB 4.29Å; M540-L710 HydrophobicContact SD-CD1 4.24Å; I575-L710 HydrophobicContact CD1-CB 4.34Å; I575-L710 HydrophobicContact CD1-CD2 4.24Å; A583-L710 HydrophobicContact CB-CD1 4.02Å; A583-L710 HydrophobicContact CB-CD2 3.73Å; P706-L710 WeakPolarHBondContact O-CB 3.26Å; P706-L710 PolarHBondContact O-N 2.96Å; Y708-L710 VanDerWaalsContact C-N 3.3Å; Y708-L710 PolarHBondContact O-N 3.21Å; L710-V712 PolarHBondContact O-N 2.92Å; L710-L713 PolarHBondContact O-N 3.07Å; L710-S714 PolarHBondContact O-N 3.37Å; L710-S714 VanDerWaalsContact O-N 3.09Å; L710-S714 PolarHBondContact O-OG 2.88Å
711	S	95.4	Very high	94.3	Very high	51 Å²	51	50.5 Å²	50.5	36%	0.357	26%	0.262	S	S	.	.	H	α-helix	trans	-62.7	-22.6	175.4	172.5	0	0	0	0	113.7	R707 Y708 Q709 S714 M715 K724	R707-S711 PolarHBondContact O-N 3.41Å; Y708-S711 WeakPolarHBondContact O-CA 3.34Å; Y708-S711 WeakPolarHBondContact O-CB 3.47Å; Y708-S711 PolarHBondContact O-N 2.99Å; Y708-S711 VanDerWaalsContact O-N 3.07Å; Q709-S711 PolarHBondContact O-N 2.72Å; S711-S714 PolarHBondContact O-OG 3.39Å; S711-M715 WeakPolarHBondContact O-CG 3.44Å; S711-K724 PolarHBondContact OG-NZ 3.14Å
712	V	95.6	Very high	94.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-88.9	-37.9	173.4	-174.8	0	0	0	0	111.4	L699 Y708 Q709 L710 S714 M715 R721 K724	L699-V712 HydrophobicContact CD1-CB 4.3Å; L699-V712 HydrophobicContact CD1-CG1 3.55Å; L699-V712 HydrophobicContact CD2-CB 4.17Å; L699-V712 HydrophobicContact CD2-CG1 3.88Å; L699-V712 HydrophobicContact CD2-CG2 4.42Å; L699-V712 HydrophobicContact CG-CG1 4.38Å; Y708-V712 HydrophobicContact CD1-CG2 3.9Å; Y708-V712 HydrophobicContact CE1-CG2 3.66Å; Y708-V712 WeakPolarHBondContact O-CG2 3.44Å; Y708-V712 PolarHBondContact O-N 3.19Å; Y708-V712 VanDerWaalsContact O-N 3.08Å; Q709-V712 PolarHBondContact O-N 2.7Å; Q709-V712 VanDerWaalsContact O-N 3.12Å; L710-V712 PolarHBondContact O-N 2.92Å; V712-S714 PolarHBondContact O-N 2.63Å; V712-M715 HydrophobicContact CG1-SD 4.44Å; V712-M715 WeakPolarHBondContact O-CB 3.4Å; V712-M715 PolarHBondContact O-N 3.15Å; V712-M715 VanDerWaalsContact O-N 3.14Å; V712-R721 HydrophobicContact CG1-CG 3.72Å; V712-K724 HydrophobicContact CG2-CD 3.76Å
713	L	96	Very high	94.8	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.016	27%	0.27	C	S	.	.	H	α-helix	trans	-56.3	-39.4	174.8	-172.4	72.5	0	0	0	111.9	M540 Y542 R611 W696 Q709 L710 M715	M540-L713 HydrophobicContact CE-CB 4.1Å; M540-L713 HydrophobicContact CE-CD2 3.78Å; M540-L713 HydrophobicContact CE-CG 4.46Å; Y542-L713 HydrophobicContact CD1-CD1 3.89Å; Y542-L713 HydrophobicContact CE1-CD1 4.45Å; R611-L713 WeakPolarHBondContact CD-O 3.47Å; R611-L713 HydrophobicContact CG-CD1 3.86Å; R611-L713 HydrophobicContact CG-CG 4.41Å; R611-L713 PolarHBondContact NH1-O 3Å; W696-L713 HydrophobicContact CE3-CD1 4.38Å; W696-L713 HydrophobicContact CH2-CD1 4.36Å; W696-L713 HydrophobicContact CZ3-CD1 3.81Å; Q709-L713 PolarHBondContact O-N 2.94Å; L710-L713 PolarHBondContact O-N 3.07Å; L713-M715 VanDerWaalsContact C-N 3.27Å; L713-M715 PolarHBondContact O-N 2.7Å
714	S	96.8	Very high	95.1	Very high	33 Å²	33	48.8 Å²	48.8	23%	0.231	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-2.3	-179.7	64	0	0	0	0	115.5	L710 S711 V712	L710-S714 PolarHBondContact O-N 3.37Å; L710-S714 VanDerWaalsContact O-N 3.09Å; L710-S714 PolarHBondContact O-OG 2.88Å; S711-S714 PolarHBondContact O-OG 3.39Å; V712-S714 PolarHBondContact O-N 2.63Å
715	M	96.8	Very high	95.4	Very high	42 Å²	42	47.7 Å²	47.7	21%	0.207	24%	0.241	C	C	.	.			trans	-84.7	130.6	-177.3	-57.1	-176.8	112.6	0	0	111.4	R611 S711 V712 L713 D720 R721 K724	R611-M715 PolarHBondContact NH1-O 2.87Å; S711-M715 WeakPolarHBondContact O-CG 3.44Å; V712-M715 HydrophobicContact CG1-SD 4.44Å; V712-M715 WeakPolarHBondContact O-CB 3.4Å; V712-M715 PolarHBondContact O-N 3.15Å; V712-M715 VanDerWaalsContact O-N 3.14Å; L713-M715 VanDerWaalsContact C-N 3.27Å; L713-M715 PolarHBondContact O-N 2.7Å; M715-D720 HydrophobicContact CE-CB 4.02Å; M715-R721 PolarHBondContact O-NH2 3.4Å; M715-K724 HydrophobicContact CE-CD 4.07Å; M715-K724 HydrophobicContact SD-CD 3.82Å
716	T	96.9	Very high	95.7	Very high	53 Å²	53	46 Å²	46	33%	0.325	23%	0.23	S	C	.	.			trans	-91.5	-15.2	172	60.8	0	0	0	0	113.2	E632 D633 T634	E632-T716 WeakPolarHBondContact O-CG2 3.33Å; D633-T716 CarbonylContact C-O 3.47Å; D633-T716 VanDerWaalsContact CA-O 3.27Å; D633-T716 WeakPolarHBondContact CA-O 3.34Å; D633-T716 WeakPolarHBondContact CB-O 3.24Å; D633-T716 WeakPolarHBondContact OD1-CA 3.35Å; T634-T716 PolarHBondContact N-O 3.41Å; T634-T716 PolarHBondContact OG1-OG1 2.97Å
717	S	97.1	Very high	95.9	Very high	33 Å²	33	48.9 Å²	48.9	23%	0.231	24%	0.238	C	C	.	.			trans	-84.6	114.5	175.6	171.2	0	0	0	0	110.5	K719 D720 R721	S717-K719 VanDerWaalsContact C-N 3.3Å; S717-D720 WeakPolarHBondContact CB-OD2 3.46Å; S717-D720 VanDerWaalsContact OG-CG 3.27Å; S717-D720 PolarHBondContact OG-N 3.43Å; S717-D720 PolarHBondContact OG-OD2 3.44Å; S717-R721 PolarHBondContact O-N 3.47Å
718	L	96.7	Very high	96.1	Very high	11 Å²	11	40.5 Å²	40.5	6%	0.058	21%	0.208	C	C	.	.	H	α-helix	trans	-64.7	-36.1	173.6	178.7	58.8	0	0	0	111.4	L645 I685 P692 R721 L722	L645-L718 HydrophobicContact CD2-CD2 4.3Å; I685-L718 HydrophobicContact CB-CD2 4.2Å; I685-L718 HydrophobicContact CD1-CD2 4.12Å; I685-L718 HydrophobicContact CG1-CD2 4.28Å; P692-L718 HydrophobicContact CG-CD2 4.39Å; L718-R721 WeakPolarHBondContact O-CB 3.12Å; L718-R721 PolarHBondContact O-N 3.11Å; L718-L722 HydrophobicContact CD1-CD1 4.18Å; L718-L722 HydrophobicContact CD1-CG 4.11Å; L718-L722 HydrophobicContact CG-CD1 3.94Å; L718-L722 HydrophobicContact CG-CG 4.35Å; L718-L722 WeakPolarHBondContact O-CB 3.31Å; L718-L722 WeakPolarHBondContact O-CG 3.46Å; L718-L722 PolarHBondContact O-N 3.26Å
719	K	97.1	Very high	96.1	Very high	110 Å²	110	36.1 Å²	36.1	48%	0.478	19%	0.191	S	C	.	.	H	α-helix	trans	-58.4	-50	177.6	-170.2	174	-177.9	172.7	0	111.7	L645 L648 S717 R721 L722 V723	L645-K719 HydrophobicContact CD1-CB 3.82Å; L645-K719 HydrophobicContact CD1-CG 4.24Å; L648-K719 HydrophobicContact CD2-CG 4.25Å; S717-K719 VanDerWaalsContact C-N 3.3Å; K719-R721 VanDerWaalsContact C-N 3.33Å; K719-R721 PolarHBondContact O-N 3.22Å; K719-L722 PolarHBondContact O-N 3.44Å; K719-V723 WeakPolarHBondContact O-CG2 3.17Å; K719-V723 PolarHBondContact O-N 2.98Å
720	D	96.9	Very high	96.1	Very high	84 Å²	84	38.5 Å²	38.5	45%	0.449	21%	0.207	S	C	.	.	H	α-helix	trans	-70.2	-31.5	-179.6	-60.2	-52.1	0	0	0	112.3	M715 S717 K724	M715-D720 HydrophobicContact CE-CB 4.02Å; S717-D720 WeakPolarHBondContact CB-OD2 3.46Å; S717-D720 VanDerWaalsContact OG-CG 3.27Å; S717-D720 PolarHBondContact OG-N 3.43Å; S717-D720 PolarHBondContact OG-OD2 3.44Å; D720-K724 WeakPolarHBondContact O-CG 3.39Å; D720-K724 PolarHBondContact O-N 3.4Å; D720-K724 VanDerWaalsContact O-N 3.09Å
721	R	97.1	Very high	95.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.4	-48.4	171.6	-173.7	-176.2	-52.8	134.9	10.9	111.3	D633 N690 W696 V712 M715 S717 L718 K719 K724 I725	D633-R721 IonicContact OD1-CZ 3.36Å; D633-R721 IonicContact OD1-NH1 3.27Å; D633-R721 IonicContact OD1-NH2 2.92Å; D633-R721 PolarHBondContact OD1-NH2 3.29Å; D633-R721 IonicContact OD2-CZ 3.79Å; D633-R721 VanDerWaalsContact OD2-CZ 3.27Å; D633-R721 IonicContact OD2-NH1 3.96Å; D633-R721 PolarHBondContact OD2-NH1 3.16Å; D633-R721 IonicContact OD2-NH2 2.71Å; D633-R721 PolarHBondContact OD2-NH2 2.98Å; N690-R721 PolarHBondContact O-NH1 2.91Å; N690-R721 VanDerWaalsContact O-NH1 3.09Å; W696-R721 VanDerWaalsContact CH2-CZ 3.5Å; V712-R721 HydrophobicContact CG1-CG 3.72Å; M715-R721 PolarHBondContact O-NH2 3.4Å; S717-R721 PolarHBondContact O-N 3.47Å; L718-R721 WeakPolarHBondContact O-CB 3.12Å; L718-R721 PolarHBondContact O-N 3.11Å; K719-R721 VanDerWaalsContact C-N 3.33Å; K719-R721 PolarHBondContact O-N 3.22Å; R721-K724 PolarHBondContact O-N 2.9Å; R721-I725 HydrophobicContact CG-CD1 4.01Å; R721-I725 WeakPolarHBondContact O-CG1 3.48Å; R721-I725 PolarHBondContact O-N 3.28Å
722	L	97.5	Very high	95.5	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-62.1	-47.3	178.8	-74.5	168.6	0	0	0	111.6	L645 L648 H649 V652 L718 K719 K724 I725 Q726	L645-L722 HydrophobicContact CD1-CD1 3.86Å; L648-L722 HydrophobicContact CD2-CB 3.98Å; L648-L722 HydrophobicContact CD2-CD1 4.38Å; L648-L722 HydrophobicContact CG-CB 4.08Å; L648-L722 HydrophobicContact CG-CD1 4.28Å; H649-L722 HydrophobicContact CB-CD1 3.94Å; V652-L722 HydrophobicContact CB-CD2 4.14Å; V652-L722 HydrophobicContact CG1-CD2 4.04Å; V652-L722 HydrophobicContact CG2-CD2 4.46Å; L718-L722 HydrophobicContact CD1-CD1 4.18Å; L718-L722 HydrophobicContact CD1-CG 4.11Å; L718-L722 HydrophobicContact CG-CD1 3.94Å; L718-L722 HydrophobicContact CG-CG 4.35Å; L718-L722 WeakPolarHBondContact O-CB 3.31Å; L718-L722 WeakPolarHBondContact O-CG 3.46Å; L718-L722 PolarHBondContact O-N 3.26Å; K719-L722 PolarHBondContact O-N 3.44Å; L722-K724 VanDerWaalsContact C-N 3.31Å; L722-K724 PolarHBondContact O-N 3.47Å; L722-I725 PolarHBondContact O-N 2.91Å; L722-I725 VanDerWaalsContact O-N 3.14Å; L722-Q726 WeakPolarHBondContact O-CB 3.18Å; L722-Q726 PolarHBondContact O-N 3.2Å
723	V	97.5	Very high	95.1	Very high	48 Å²	48	47.8 Å²	47.8	29%	0.291	24%	0.239	S	C	.	.	H	α-helix	trans	-58	-41.9	175.9	171.5	0	0	0	0	111.7	L648 K719 Q726 H727	L648-V723 HydrophobicContact CD2-CG2 4.07Å; K719-V723 WeakPolarHBondContact O-CG2 3.17Å; K719-V723 PolarHBondContact O-N 2.98Å; V723-Q726 PolarHBondContact O-N 2.83Å; V723-H727 VanDerWaalsContact CG1-CE1 3.45Å; V723-H727 WeakPolarHBondContact CG1-CE1 3.32Å; V723-H727 VanDerWaalsContact O-CG 3.31Å; V723-H727 PolarHBondContact O-N 2.87Å; V723-H727 PolarHBondContact O-ND1 3Å
724	K	96	Very high	94.5	Very high	39 Å²	39	51.5 Å²	51.5	17%	0.17	27%	0.265	C	S	.	.	H	α-helix	trans	-63.9	-43.8	174.5	-80.7	-170.9	171.5	-175.5	0	112.9	Y708 S711 V712 M715 D720 R721 L722 Q726 H727 I728	Y708-K724 HydrophobicContact CE1-CD 4.08Å; Y708-K724 WeakPolarHBondContact OH-CD 3.22Å; Y708-K724 WeakPolarHBondContact OH-CG 3.23Å; S711-K724 PolarHBondContact OG-NZ 3.14Å; V712-K724 HydrophobicContact CG2-CD 3.76Å; M715-K724 HydrophobicContact CE-CD 4.07Å; M715-K724 HydrophobicContact SD-CD 3.82Å; D720-K724 WeakPolarHBondContact O-CG 3.39Å; D720-K724 PolarHBondContact O-N 3.4Å; D720-K724 VanDerWaalsContact O-N 3.09Å; R721-K724 PolarHBondContact O-N 2.9Å; L722-K724 VanDerWaalsContact C-N 3.31Å; L722-K724 PolarHBondContact O-N 3.47Å; K724-Q726 VanDerWaalsContact C-N 3.34Å; K724-H727 PolarHBondContact O-N 3.12Å; K724-I728 WeakPolarHBondContact O-CD1 3.26Å; K724-I728 VanDerWaalsContact O-CG1 3.29Å; K724-I728 WeakPolarHBondContact O-CG1 3.41Å; K724-I728 PolarHBondContact O-N 3.07Å; K724-I728 VanDerWaalsContact O-N 3.09Å
725	I	96.3	Very high	93.7	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-62.6	-42.8	176.6	-68.1	168.9	0	0	0	110.2	V652 C695 L698 L699 R721 L722 H727 I728 L729	V652-I725 HydrophobicContact CG1-CB 4.35Å; V652-I725 HydrophobicContact CG1-CG2 3.78Å; C695-I725 HydrophobicContact CB-CD1 3.95Å; L698-I725 HydrophobicContact CD1-CG2 4.16Å; L699-I725 HydrophobicContact CD1-CD1 4.33Å; L699-I725 HydrophobicContact CD2-CG1 4.18Å; L699-I725 HydrophobicContact CG-CD1 4.18Å; L699-I725 HydrophobicContact CG-CG1 4.38Å; R721-I725 HydrophobicContact CG-CD1 4.01Å; R721-I725 WeakPolarHBondContact O-CG1 3.48Å; R721-I725 PolarHBondContact O-N 3.28Å; L722-I725 PolarHBondContact O-N 2.91Å; L722-I725 VanDerWaalsContact O-N 3.14Å; I725-H727 PolarHBondContact O-N 2.91Å; I725-I728 PolarHBondContact O-N 2.63Å; I725-I728 VanDerWaalsContact O-N 3.17Å; I725-L729 HydrophobicContact CG2-CD1 3.84Å; I725-L729 HydrophobicContact CG2-CG 4.31Å; I725-L729 WeakPolarHBondContact O-CG 3.35Å; I725-L729 PolarHBondContact O-N 2.97Å
726	Q	96.6	Very high	92.2	Very high	56 Å²	56	56.8 Å²	56.8	26%	0.262	30%	0.297	S	S	.	.	H	α-helix	trans	-58.4	-46.1	176.2	-160.2	178	35.6	0	0	112.3	V652 L722 V723 K724 I728 L729 T730	V652-Q726 HydrophobicContact CG2-CB 3.76Å; V652-Q726 HydrophobicContact CG2-CG 3.9Å; L722-Q726 WeakPolarHBondContact O-CB 3.18Å; L722-Q726 PolarHBondContact O-N 3.2Å; V723-Q726 PolarHBondContact O-N 2.83Å; K724-Q726 VanDerWaalsContact C-N 3.34Å; Q726-I728 VanDerWaalsContact C-N 3.33Å; Q726-I728 PolarHBondContact O-N 3.39Å; Q726-L729 PolarHBondContact O-N 3.47Å; Q726-T730 VanDerWaalsContact O-CB 3.3Å; Q726-T730 WeakPolarHBondContact O-CB 3.43Å; Q726-T730 PolarHBondContact O-N 3.38Å; Q726-T730 PolarHBondContact O-OG1 2.6Å
727	H	94.5	Very high	90.2	Very high	119 Å²	119	60.5 Å²	60.5	55%	0.551	32%	0.315	S	S	*	.	H	α-helix	trans	-62.8	-38.4	175.8	-68.5	157.2	0	0	0	112.4	V723 K724 I725 Y731	V723-H727 VanDerWaalsContact CG1-CE1 3.45Å; V723-H727 WeakPolarHBondContact CG1-CE1 3.32Å; V723-H727 VanDerWaalsContact O-CG 3.31Å; V723-H727 PolarHBondContact O-N 2.87Å; V723-H727 PolarHBondContact O-ND1 3Å; K724-H727 PolarHBondContact O-N 3.12Å; I725-H727 PolarHBondContact O-N 2.91Å; H727-Y731 WeakPolarHBondContact O-CB 3.48Å; H727-Y731 PolarHBondContact O-N 2.81Å
728	I	93.8	Very high	87.3	Confident	24 Å²	24	68.3 Å²	68.3	12%	0.123	35%	0.354	C	S	.	.	H	α-helix	trans	-67.1	-46.9	176.9	-66.7	160.1	0	0	0	110.9	L702 I704 Y708 K724 I725 Q726 T730 Y731 L732	L702-I728 HydrophobicContact CD1-CG2 4.14Å; L702-I728 HydrophobicContact CD2-CG2 4.39Å; I704-I728 HydrophobicContact CD1-CD1 3.81Å; I704-I728 HydrophobicContact CD1-CG2 4.3Å; I704-I728 HydrophobicContact CG1-CD1 4.23Å; I704-I728 HydrophobicContact CG1-CG2 4.15Å; Y708-I728 HydrophobicContact CD1-CD1 4.48Å; Y708-I728 HydrophobicContact CE1-CD1 3.92Å; K724-I728 WeakPolarHBondContact O-CD1 3.26Å; K724-I728 VanDerWaalsContact O-CG1 3.29Å; K724-I728 WeakPolarHBondContact O-CG1 3.41Å; K724-I728 PolarHBondContact O-N 3.07Å; K724-I728 VanDerWaalsContact O-N 3.09Å; I725-I728 PolarHBondContact O-N 2.63Å; I725-I728 VanDerWaalsContact O-N 3.17Å; Q726-I728 VanDerWaalsContact C-N 3.33Å; Q726-I728 PolarHBondContact O-N 3.39Å; I728-T730 PolarHBondContact O-N 3.11Å; I728-Y731 PolarHBondContact O-N 2.96Å; I728-L732 HydrophobicContact CG2-CD1 3.93Å; I728-L732 HydrophobicContact CG2-CG 4.44Å; I728-L732 WeakPolarHBondContact O-CG 3.49Å; I728-L732 PolarHBondContact O-N 3.06Å
729	L	94.2	Very high	86.9	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-60.7	-45.3	177.3	-70.9	168.4	0	0	0	111.4	V652 Q655 A656 W659 L702 I725 Q726 Y731 L732 Q733	V652-L729 HydrophobicContact CG1-CD1 4.27Å; Q655-L729 HydrophobicContact CB-CD1 4.44Å; Q655-L729 HydrophobicContact CG-CB 4.12Å; Q655-L729 HydrophobicContact CG-CD1 4.35Å; A656-L729 HydrophobicContact CB-CD1 3.86Å; A656-L729 HydrophobicContact CB-CD2 4.47Å; W659-L729 HydrophobicContact CB-CD2 3.99Å; W659-L729 HydrophobicContact CD2-CD2 3.93Å; W659-L729 HydrophobicContact CE3-CD2 4.13Å; W659-L729 HydrophobicContact CG-CD2 3.87Å; L702-L729 HydrophobicContact CD2-CD2 3.96Å; I725-L729 HydrophobicContact CG2-CD1 3.84Å; I725-L729 HydrophobicContact CG2-CG 4.31Å; I725-L729 WeakPolarHBondContact O-CG 3.35Å; I725-L729 PolarHBondContact O-N 2.97Å; Q726-L729 PolarHBondContact O-N 3.47Å; L729-Y731 PolarHBondContact O-N 3.28Å; L729-L732 PolarHBondContact O-N 3.44Å; L729-Q733 WeakPolarHBondContact O-CB 3.28Å; L729-Q733 VanDerWaalsContact O-CG 3.27Å; L729-Q733 WeakPolarHBondContact O-CG 3.21Å; L729-Q733 PolarHBondContact O-N 2.86Å
730	T	93.8	Very high	86.3	Confident	70 Å²	70	69.1 Å²	69.1	43%	0.429	36%	0.363	S	S	.	.	H	α-helix	trans	-62.4	-42.1	177.6	-53.9	0	0	0	0	111.5	Q655 Q726 I728 Q733 S734	Q655-T730 PolarHBondContact NE2-OG1 3.48Å; Q726-T730 VanDerWaalsContact O-CB 3.3Å; Q726-T730 WeakPolarHBondContact O-CB 3.43Å; Q726-T730 PolarHBondContact O-N 3.38Å; Q726-T730 PolarHBondContact O-OG1 2.6Å; I728-T730 PolarHBondContact O-N 3.11Å; T730-Q733 PolarHBondContact O-N 2.96Å; T730-S734 PolarHBondContact O-N 3.46Å; T730-S734 VanDerWaalsContact O-N 3.15Å
731	Y	90.7	Very high	85.8	Confident	155 Å²	155	68.3 Å²	68.3	61%	0.608	36%	0.358	S	S	*	.	H	α-helix	trans	-62.5	-48.4	174.4	175.3	-106.8	0	0	0	111.8	H727 I728 L729 Q733 S734 I735	H727-Y731 WeakPolarHBondContact O-CB 3.48Å; H727-Y731 PolarHBondContact O-N 2.81Å; I728-Y731 PolarHBondContact O-N 2.96Å; L729-Y731 PolarHBondContact O-N 3.28Å; Y731-Q733 VanDerWaalsContact C-N 3.33Å; Y731-Q733 PolarHBondContact O-N 3.32Å; Y731-S734 WeakPolarHBondContact O-CB 3.4Å; Y731-S734 PolarHBondContact O-N 2.65Å; Y731-S734 PolarHBondContact O-OG 3.38Å; Y731-I735 HydrophobicContact CD1-CD1 4.46Å; Y731-I735 HydrophobicContact CE1-CD1 3.96Å; Y731-I735 PolarHBondContact O-N 2.67Å
732	L	88.7	Confident	85.1	Confident	36 Å²	36	72.3 Å²	72.3	19%	0.188	38%	0.379	C	S	.	.	H	α-helix	trans	-64.2	-35.7	179.4	-68	171.7	0	0	0	112.7	W659 L702 P703 I728 L729 S734 I735	W659-L732 HydrophobicContact CZ2-CD1 4.5Å; L702-L732 HydrophobicContact CD2-CD1 3.51Å; P703-L732 HydrophobicContact CG-CD1 4.32Å; P703-L732 HydrophobicContact CG-CD2 4.06Å; I728-L732 HydrophobicContact CG2-CD1 3.93Å; I728-L732 HydrophobicContact CG2-CG 4.44Å; I728-L732 WeakPolarHBondContact O-CG 3.49Å; I728-L732 PolarHBondContact O-N 3.06Å; L729-L732 PolarHBondContact O-N 3.44Å; L732-S734 PolarHBondContact O-N 3.3Å; L732-I735 HydrophobicContact CD2-CD1 4.05Å; L732-I735 PolarHBondContact O-N 2.98Å
733	Q	86.2	Confident	84.3	Confident	85 Å²	85	76.8 Å²	76.8	40%	0.397	40%	0.402	S	S	.	.	H	α-helix	trans	-68.6	-20.3	173.2	-73.6	171.6	-19.2	0	0	113	Q655 L729 T730 Y731	Q655-Q733 PolarHBondContact O-NE2 2.98Å; L729-Q733 WeakPolarHBondContact O-CB 3.28Å; L729-Q733 VanDerWaalsContact O-CG 3.27Å; L729-Q733 WeakPolarHBondContact O-CG 3.21Å; L729-Q733 PolarHBondContact O-N 2.86Å; T730-Q733 PolarHBondContact O-N 2.96Å; Y731-Q733 VanDerWaalsContact C-N 3.33Å; Y731-Q733 PolarHBondContact O-N 3.32Å
734	S	84.7	Confident	83.4	Confident	81 Å²	81	78.7 Å²	78.7	57%	0.566	41%	0.41	S	S	*	.	H	α-helix	trans	-84.5	-11.4	176.2	78.2	0	0	0	0	114.5	T730 Y731 L732 P736	T730-S734 PolarHBondContact O-N 3.46Å; T730-S734 VanDerWaalsContact O-N 3.15Å; Y731-S734 WeakPolarHBondContact O-CB 3.4Å; Y731-S734 PolarHBondContact O-N 2.65Å; Y731-S734 PolarHBondContact O-OG 3.38Å; L732-S734 PolarHBondContact O-N 3.3Å; S734-P736 WeakPolarHBondContact O-CD 3.41Å
735	I	79.1	Confident	82.5	Confident	84 Å²	84	81.5 Å²	81.5	43%	0.431	43%	0.427	S	S	.	.	S	Bend	trans	-77.5	125	179.3	-59.2	175.8	0	0	0	109.4	Y731 L732 N737	Y731-I735 HydrophobicContact CD1-CD1 4.46Å; Y731-I735 HydrophobicContact CE1-CD1 3.96Å; Y731-I735 PolarHBondContact O-N 2.67Å; L732-I735 HydrophobicContact CD2-CD1 4.05Å; L732-I735 PolarHBondContact O-N 2.98Å; I735-N737 PolarHBondContact O-N 3.47Å
736	P	64.1	Low	81.5	Confident	102 Å²	102	87.7 Å²	87.7	66%	0.662	46%	0.459	S	S	*	.			trans	-60.2	135.1	177.2	-25.3	35.3	0	0	0	113.1	S734 N738	S734-P736 WeakPolarHBondContact O-CD 3.41Å; P736-N738 VanDerWaalsContact C-N 3.28Å; P736-N738 PolarHBondContact O-N 3.49Å
737	N	56.2	Low	80.2	Confident	131 Å²	131	90.3 Å²	90.3	70%	0.701	48%	0.476	S	S	*	.			trans	-75.4	70.2	-179.2	-106.4	-41.3	0	0	0	112.7	I735	I735-N737 PolarHBondContact O-N 3.47Å
738	N	36.9	Very low	78.9	Confident	197 Å²	197	87.7 Å²	87.7	100%	1.053	47%	0.469	S	S	*	.			trans	-76.3	0	161.8	-69.2	-19.5	0	0	0	109.9	K664 P736	K664-N738 PolarHBondContact NZ-O 3.45Å; K664-N738 PolarHBondContact NZ-OXT 2.94Å; P736-N738 VanDerWaalsContact C-N 3.28Å; P736-N738 PolarHBondContact O-N 3.49Å

Retrieved 738 of 738 residues in 1501.5 ms (Link to these results)

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