A0A077Z0T3_TRITR Loading...

Moesin/ezrin/radixin homolog 1

AlphaFold DB , UniProt , Accession A0A077Z0T3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 571 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	35.9	Very low	36.1	Very low	231 Å²	231	135.4 Å²	135.4	100%	1.138	83%	0.834	S	S	*	*				0	144.1	0	-70.1	174	169.3	0	0	107.4
2	V	34.8	Very low	36.7	Very low	130 Å²	130	129.3 Å²	129.3	79%	0.788	80%	0.801	S	S	*	*			trans	54.1	142.5	170.9	-61.2	0	0	0	0	117.2
3	N	35.6	Very low	36.9	Very low	140 Å²	140	126.5 Å²	126.5	75%	0.749	79%	0.786	S	S	*	*			cis	-147.8	151.7	-9.8	-104.8	-15.6	0	0	0	109.2
4	N	31	Very low	37.4	Very low	165 Å²	165	129.6 Å²	129.6	88%	0.882	78%	0.778	S	S	*	*			trans	-78.2	142.2	160.2	-77.6	-23.4	0	0	0	109.1
5	L	41.5	Very low	38.2	Very low	168 Å²	168	128.5 Å²	128.5	88%	0.88	77%	0.771	S	S	*	*			trans	-132	117.6	163.6	-97.4	164.6	0	0	0	108.6
6	D	34.1	Very low	38.6	Very low	158 Å²	158	135.6 Å²	135.6	85%	0.845	78%	0.78	S	S	*	*			trans	-80.4	145.4	177.3	-174.5	17.2	0	0	0	110.2
7	S	40	Very low	39.4	Very low	110 Å²	110	131.1 Å²	131.1	77%	0.769	76%	0.759	S	S	*	*			trans	-140.4	84.6	-178.1	51.9	0	0	0	0	110.8	A9	S7-A9 PolarHBondContact O-N 3.09Å
8	G	32.9	Very low	40.6	Very low	73 Å²	73	131.5 Å²	131.5	75%	0.753	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-63.4	119.8	-177.5	0	0	0	0	0	113.4
9	A	37.8	Very low	42.3	Very low	93 Å²	93	136.3 Å²	136.3	77%	0.769	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-73.5	136.9	167.8	0	0	0	0	0	110.6	S7 A11	S7-A9 PolarHBondContact O-N 3.09Å; A9-A11 PolarHBondContact O-N 3Å
10	P	36.3	Very low	44.4	Very low	126 Å²	126	131.5 Å²	131.5	82%	0.818	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-68.2	131.3	177.6	28.1	-33.9	0	0	0	110.9
11	A	36.9	Very low	46.6	Very low	95 Å²	95	127.4 Å²	127.4	79%	0.785	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-70.5	136.7	173.9	0	0	0	0	0	110.8	A9	A9-A11 PolarHBondContact O-N 3Å
12	S	43.7	Very low	49.1	Very low	62 Å²	62	117.9 Å²	117.9	43%	0.434	68%	0.675	S	S	.	*	P	Polyproline II helix	trans	-54.4	139.5	170.9	163.6	0	0	0	0	110.3	Y14 E25	S12-Y14 PolarHBondContact O-N 2.92Å; S12-E25 PolarHBondContact OG-OE1 3.19Å
13	P	39	Very low	51.8	Low	94 Å²	94	113.9 Å²	113.9	61%	0.61	66%	0.661	S	S	*	*			trans	-67.5	93.1	-178.3	28.8	-35.5	0	0	0	111.1	V15	P13-V15 PolarHBondContact O-N 2.74Å
14	Y	44.6	Very low	54.5	Low	170 Å²	170	108.1 Å²	108.1	67%	0.667	63%	0.629	S	S	*	*			trans	-61.1	86.3	165	-92.4	-96.9	0	0	0	109.9	S12 R16 S90	S12-Y14 PolarHBondContact O-N 2.92Å; Y14-R16 PolarHBondContact O-N 2.8Å; Y14-S90 WeakPolarHBondContact OH-CB 3.38Å; Y14-S90 PolarHBondContact OH-OG 2.84Å
15	V	49.6	Very low	57.5	Low	112 Å²	112	103 Å²	103	68%	0.679	60%	0.6	S	S	*	*			trans	-55.1	121.7	167.9	179.4	0	0	0	0	107.4	P13 S17	P13-V15 PolarHBondContact O-N 2.74Å; V15-S17 PolarHBondContact O-N 2.87Å
16	R	44.6	Very low	60.1	Low	242 Å²	242	95 Å²	95	91%	0.913	56%	0.558	S	S	*	*			trans	-60.9	105.1	176.7	-74.4	-177	177.7	175.6	0	108.6	Y14	Y14-R16 PolarHBondContact O-N 2.8Å
17	S	52.3	Low	63	Low	60 Å²	60	91 Å²	91	42%	0.42	54%	0.535	S	S	.	.			trans	-64.6	143.6	179.6	71.6	0	0	0	0	111	V15 L21	V15-S17 PolarHBondContact O-N 2.87Å; S17-L21 WeakPolarHBondContact CB-O 3.31Å; S17-L21 PolarHBondContact OG-O 3.44Å
18	K	60.6	Low	65.6	Low	138 Å²	138	86.4 Å²	86.4	60%	0.6	50%	0.502	S	S	*	.			trans	-61	142.2	168.4	-58	169.4	-164.4	118	0	107.8	G20 L21 E37	K18-G20 PolarHBondContact O-N 2.82Å; K18-L21 HydrophobicContact CB-CD1 4.25Å; K18-L21 HydrophobicContact CD-CD1 4.32Å; K18-L21 PolarHBondContact O-N 3.5Å; K18-E37 IonicContact NZ-OE2 2.84Å; K18-E37 PolarHBondContact NZ-OE2 3.07Å
19	K	72.6	Confident	68.6	Low	223 Å²	223	83.2 Å²	83.2	97%	0.97	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.8	114.3	-178	-74.5	-175.2	177.7	179.9	0	110.6
20	G	85.1	Confident	71.1	Confident	40 Å²	40	79.6 Å²	79.6	41%	0.412	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	108.4	-18.5	179.8	0	0	0	0	0	115.4	K18 T40	K18-G20 PolarHBondContact O-N 2.82Å; G20-T40 WeakPolarHBondContact O-CB 3.4Å; G20-T40 VanDerWaalsContact O-CG2 3.29Å; G20-T40 WeakPolarHBondContact O-CG2 3.45Å; G20-T40 PolarHBondContact O-N 2.89Å; G20-T40 PolarHBondContact O-OG1 3.18Å
21	L	89.8	Confident	73.7	Confident	46 Å²	46	75.4 Å²	75.4	24%	0.241	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	159.5	179.2	-62.4	-179.8	0	0	0	113.4	S17 K18 E37 V38 T40	S17-L21 WeakPolarHBondContact CB-O 3.31Å; S17-L21 PolarHBondContact OG-O 3.44Å; K18-L21 HydrophobicContact CB-CD1 4.25Å; K18-L21 HydrophobicContact CD-CD1 4.32Å; K18-L21 PolarHBondContact O-N 3.5Å; L21-E37 HydrophobicContact CD1-CB 4.18Å; L21-V38 CarbonylContact C-O 3.47Å; L21-V38 WeakPolarHBondContact CA-O 3.42Å; L21-T40 VanDerWaalsContact O-CG2 3.31Å; L21-T40 WeakPolarHBondContact O-CG2 3.29Å
22	C	89.4	Confident	76.3	Confident	30 Å²	30	73.1 Å²	73.1	20%	0.203	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	130.1	171.9	-162.8	0	0	0	0	109.1	Y24 V38 T40	C22-Y24 HydrophobicContact CB-CE2 4.01Å; C22-V38 PolarHBondContact N-O 3.48Å; C22-V38 PolarHBondContact O-N 2.62Å; C22-T40 HydrophobicContact CB-CG2 4.2Å
23	G	90.2	Very high	78.6	Confident	46 Å²	46	73.3 Å²	73.3	47%	0.474	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	146.6	171.9	0	0	0	0	0	112	L36	G23-L36 CarbonylContact C-O 3.51Å; G23-L36 WeakPolarHBondContact CA-O 3.36Å
24	Y	92.8	Very high	81.2	Confident	20 Å²	20	70 Å²	70	8%	0.078	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	143.1	172	-65.2	-71.3	0	0	0	111.1	C22 L36 V38 L47 I83 I87 F94	C22-Y24 HydrophobicContact CB-CE2 4.01Å; Y24-L36 PolarHBondContact N-O 2.72Å; Y24-L36 PolarHBondContact O-N 3.18Å; Y24-V38 HydrophobicContact CD2-CG2 3.77Å; Y24-V38 HydrophobicContact CE2-CG2 3.62Å; Y24-L47 HydrophobicContact CD2-CD1 4.02Å; Y24-L47 HydrophobicContact CD2-CD2 4.15Å; Y24-L47 HydrophobicContact CG-CD1 4.37Å; Y24-L47 HydrophobicContact CG-CD2 4.15Å; Y24-I83 HydrophobicContact CD2-CD1 4.45Å; Y24-I83 HydrophobicContact CE1-CG2 3.9Å; Y24-I83 HydrophobicContact CE2-CD1 3.77Å; Y24-I83 HydrophobicContact CE2-CG2 4.39Å; Y24-I87 HydrophobicContact CD1-CD1 4.38Å; Y24-I87 HydrophobicContact CE1-CD1 3.86Å; Y24-F94 AromaticContact CD1-CE2 3.83Å; Y24-F94 HydrophobicContact CD1-CE2 3.83Å; Y24-F94 HydrophobicContact CE1-CE2 4.45Å; Y24-F94 HydrophobicContact CG-CE2 4.25Å
25	E	93.8	Very high	83.6	Confident	58 Å²	58	68.6 Å²	68.6	27%	0.271	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	129.5	174.2	-73.8	168.7	-144.6	0	0	110.1	S12 T33 Y35 F94	S12-E25 PolarHBondContact OG-OE1 3.19Å; E25-T33 HydrophobicContact CB-CG2 4.02Å; E25-T33 HydrophobicContact CG-CG2 4.17Å; E25-Y35 HydrophobicContact CG-CD1 3.78Å; E25-Y35 HydrophobicContact CG-CE1 3.42Å; E25-Y35 VanDerWaalsContact CG-CE1 3.42Å; E25-F94 PolarHBondContact O-N 3.07Å
26	V	95.9	Very high	85.7	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	116.8	174.3	179.4	0	0	0	0	109.4	H28 T33 I34 L36 L51 L65 F94 F96	V26-H28 PolarHBondContact O-N 3.43Å; V26-T33 CarbonylContact O-C 2.86Å; V26-T33 WeakPolarHBondContact O-CA 3.13Å; V26-I34 HydrophobicContact CB-CB 4.49Å; V26-I34 PolarHBondContact N-O 3.01Å; V26-I34 PolarHBondContact O-N 2.78Å; V26-L36 HydrophobicContact CG2-CD1 4.08Å; V26-L51 HydrophobicContact CB-CD1 4.5Å; V26-L51 HydrophobicContact CG1-CD1 4.15Å; V26-L51 HydrophobicContact CG1-CD2 3.92Å; V26-L65 HydrophobicContact CG1-CD2 3.59Å; V26-L65 HydrophobicContact CG2-CD1 4.41Å; V26-L65 HydrophobicContact CG2-CD2 4.15Å; V26-F94 CarbonylContact C-O 3.4Å; V26-F94 WeakPolarHBondContact CA-O 3.43Å; V26-F94 HydrophobicContact CG2-CB 4.37Å; V26-F96 HydrophobicContact CG1-CB 3.93Å
27	L	95.4	Very high	88	Confident	72 Å²	72	56.3 Å²	56.3	38%	0.377	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	117.6	166.4	-178.9	66.1	0	0	0	109	F94 F96	L27-F94 PolarHBondContact N-O 3.32Å; L27-F96 PolarHBondContact O-N 2.93Å
28	H	95	Very high	90	Very high	14 Å²	14	54.1 Å²	54.1	7%	0.065	29%	0.292	C	S	.	.			trans	-83.5	167.7	178.7	-170.8	-122.1	0	0	0	111.7	V26 D30 G31 T32 I34 F96	V26-H28 PolarHBondContact O-N 3.43Å; H28-D30 VanDerWaalsContact C-N 3.28Å; H28-D30 IonicContact CE1-OD2 2.74Å; H28-D30 PolarHBondContact CE1-OD2 2.93Å; H28-D30 IonicContact CG-OD1 3.74Å; H28-D30 IonicContact CG-OD2 2.71Å; H28-D30 IonicContact ND1-OD1 2.67Å; H28-D30 PolarHBondContact ND1-OD1 2.8Å; H28-D30 IonicContact ND1-OD2 2.62Å; H28-D30 PolarHBondContact ND1-OD2 2.75Å; H28-D30 PolarHBondContact O-N 3.19Å; H28-G31 PolarHBondContact O-N 2.81Å; H28-T32 WeakPolarHBondContact CB-O 3.29Å; H28-T32 PolarHBondContact N-O 2.97Å; H28-I34 HydrophobicContact CB-CD1 3.9Å; H28-I34 HydrophobicContact CB-CG1 4.23Å; H28-F96 AromaticContact CD2-CD1 3.6Å; H28-F96 AromaticContact NE2-CD1 3.94Å
29	L	94.8	Very high	91.6	Very high	7 Å²	7	53.5 Å²	53.5	4%	0.037	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-22.5	-173.7	-80	170.3	0	0	0	114	G31 F63 F96 L116 L119 Q120	L29-G31 VanDerWaalsContact C-N 3.26Å; L29-F63 HydrophobicContact CD1-CD1 4.23Å; L29-F63 HydrophobicContact CD1-CE1 3.97Å; L29-F96 HydrophobicContact CD1-CD1 3.83Å; L29-F96 HydrophobicContact CD1-CE1 3.84Å; L29-F96 WeakPolarHBondContact CD2-O 3.32Å; L29-F96 HydrophobicContact CG-CD1 3.93Å; L29-F96 HydrophobicContact CG-CE1 4.43Å; L29-F96 WeakPolarHBondContact CG-O 3.42Å; L29-L116 HydrophobicContact CB-CD2 4.38Å; L29-L116 HydrophobicContact CD1-CB 4.03Å; L29-L116 HydrophobicContact CD1-CD2 4.2Å; L29-L119 HydrophobicContact CB-CB 3.97Å; L29-L119 HydrophobicContact CB-CD1 4.01Å; L29-Q120 HydrophobicContact CD1-CB 4.48Å; L29-Q120 HydrophobicContact CD2-CB 3.88Å
30	D	91.5	Very high	92.4	Very high	16 Å²	16	45 Å²	45	9%	0.086	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-8.8	169.8	53.3	28.1	0	0	0	113.2	H28 T32 L119 S349 R351	H28-D30 VanDerWaalsContact C-N 3.28Å; H28-D30 IonicContact CE1-OD2 2.74Å; H28-D30 PolarHBondContact CE1-OD2 2.93Å; H28-D30 IonicContact CG-OD1 3.74Å; H28-D30 IonicContact CG-OD2 2.71Å; H28-D30 IonicContact ND1-OD1 2.67Å; H28-D30 PolarHBondContact ND1-OD1 2.8Å; H28-D30 IonicContact ND1-OD2 2.62Å; H28-D30 PolarHBondContact ND1-OD2 2.75Å; H28-D30 PolarHBondContact O-N 3.19Å; D30-T32 VanDerWaalsContact OD1-CB 3.28Å; D30-T32 WeakPolarHBondContact OD1-CB 3.31Å; D30-T32 WeakPolarHBondContact OD1-CG2 3.35Å; D30-T32 PolarHBondContact OD1-N 2.99Å; D30-T32 PolarHBondContact OD1-OG1 2.91Å; D30-L119 HydrophobicContact CB-CD1 4.11Å; D30-S349 VanDerWaalsContact CB-O 3.23Å; D30-S349 WeakPolarHBondContact CB-O 3.28Å; D30-R351 VanDerWaalsContact O-CA 3.25Å; D30-R351 WeakPolarHBondContact O-CA 3.39Å; D30-R351 WeakPolarHBondContact O-CG 3.46Å; D30-R351 PolarHBondContact O-N 3.39Å
31	G	89.9	Confident	92.7	Very high	38 Å²	38	47.4 Å²	47.4	39%	0.392	26%	0.261	S	S	.	.	S	Bend	trans	87.9	5.1	-175.2	0	0	0	0	0	115.2	H28 L29	H28-G31 PolarHBondContact O-N 2.81Å; L29-G31 VanDerWaalsContact C-N 3.26Å
32	T	91.3	Very high	92.9	Very high	48 Å²	48	45.4 Å²	45.4	29%	0.294	25%	0.251	S	S	.	.			trans	-78.6	161.7	168.9	67.5	0	0	0	0	111.4	H28 D30	H28-T32 WeakPolarHBondContact CB-O 3.29Å; H28-T32 PolarHBondContact N-O 2.97Å; D30-T32 VanDerWaalsContact OD1-CB 3.28Å; D30-T32 WeakPolarHBondContact OD1-CB 3.31Å; D30-T32 WeakPolarHBondContact OD1-CG2 3.35Å; D30-T32 PolarHBondContact OD1-N 2.99Å; D30-T32 PolarHBondContact OD1-OG1 2.91Å
33	T	92.9	Very high	93.1	Very high	66 Å²	66	45.9 Å²	45.9	41%	0.405	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	119.9	176.1	-57	0	0	0	0	111	E25 V26 Y35	E25-T33 HydrophobicContact CB-CG2 4.02Å; E25-T33 HydrophobicContact CG-CG2 4.17Å; V26-T33 CarbonylContact O-C 2.86Å; V26-T33 WeakPolarHBondContact O-CA 3.13Å; T33-Y35 HydrophobicContact CG2-CD2 4.28Å; T33-Y35 HydrophobicContact CG2-CE2 3.86Å
34	I	94	Very high	93.4	Very high	23 Å²	23	43.7 Å²	43.7	12%	0.118	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	124.1	174.2	-59.5	173.9	0	0	0	108.6	V26 H28 L36 L51 R54 L55	V26-I34 HydrophobicContact CB-CB 4.49Å; V26-I34 PolarHBondContact N-O 3.01Å; V26-I34 PolarHBondContact O-N 2.78Å; H28-I34 HydrophobicContact CB-CD1 3.9Å; H28-I34 HydrophobicContact CB-CG1 4.23Å; I34-L36 HydrophobicContact CG2-CD2 4Å; I34-L36 HydrophobicContact CG2-CG 4.17Å; I34-L51 HydrophobicContact CB-CD1 4.44Å; I34-L51 HydrophobicContact CD1-CD1 3.92Å; I34-L51 HydrophobicContact CG2-CD1 4.17Å; I34-R54 HydrophobicContact CG2-CG 4.1Å; I34-L55 HydrophobicContact CD1-CD2 3.73Å; I34-L55 HydrophobicContact CD1-CG 4.43Å
35	Y	94.3	Very high	93.5	Very high	141 Å²	141	43.6 Å²	43.6	55%	0.553	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	132.4	174.3	-68.2	-101.5	0	0	0	110	E25 T33	E25-Y35 HydrophobicContact CG-CD1 3.78Å; E25-Y35 HydrophobicContact CG-CE1 3.42Å; E25-Y35 VanDerWaalsContact CG-CE1 3.42Å; T33-Y35 HydrophobicContact CG2-CD2 4.28Å; T33-Y35 HydrophobicContact CG2-CE2 3.86Å
36	L	94.1	Very high	93.6	Very high	17 Å²	17	45.4 Å²	45.4	9%	0.089	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	131.1	179.4	-60.5	172.4	0	0	0	110.4	G23 Y24 V26 I34 L47 L51 R54	G23-L36 CarbonylContact C-O 3.51Å; G23-L36 WeakPolarHBondContact CA-O 3.36Å; Y24-L36 PolarHBondContact N-O 2.72Å; Y24-L36 PolarHBondContact O-N 3.18Å; V26-L36 HydrophobicContact CG2-CD1 4.08Å; I34-L36 HydrophobicContact CG2-CD2 4Å; I34-L36 HydrophobicContact CG2-CG 4.17Å; L36-L47 HydrophobicContact CB-CD1 4.08Å; L36-L47 HydrophobicContact CD1-CD1 3.84Å; L36-L51 HydrophobicContact CD1-CB 3.72Å; L36-L51 HydrophobicContact CD1-CD1 4.13Å; L36-R54 HydrophobicContact CD2-CB 4.23Å; L36-R54 HydrophobicContact CD2-CG 4.34Å
37	E	93.2	Very high	93.6	Very high	80 Å²	80	45.4 Å²	45.4	37%	0.374	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	125.2	165.6	-63.7	-161.3	113.8	0	0	109.2	K18 L21	K18-E37 IonicContact NZ-OE2 2.84Å; K18-E37 PolarHBondContact NZ-OE2 3.07Å; L21-E37 HydrophobicContact CD1-CB 4.18Å
38	V	93.7	Very high	93.7	Very high	14 Å²	14	42.4 Å²	42.4	9%	0.085	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	171.6	170.9	-59.7	0	0	0	0	110.4	L21 C22 Y24 A42 L47 A50 I83	L21-V38 CarbonylContact C-O 3.47Å; L21-V38 WeakPolarHBondContact CA-O 3.42Å; C22-V38 PolarHBondContact N-O 3.48Å; C22-V38 PolarHBondContact O-N 2.62Å; Y24-V38 HydrophobicContact CD2-CG2 3.77Å; Y24-V38 HydrophobicContact CE2-CG2 3.62Å; V38-A42 HydrophobicContact CB-CB 4.21Å; V38-A42 HydrophobicContact CG2-CB 3.82Å; V38-L47 HydrophobicContact CG1-CD1 4.16Å; V38-L47 HydrophobicContact CG2-CD1 4.42Å; V38-A50 HydrophobicContact CG1-CB 4.03Å; V38-I83 HydrophobicContact CG2-CD1 4.13Å
39	E	93.3	Very high	93.8	Very high	125 Å²	125	44.6 Å²	44.6	58%	0.584	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-60.7	145	178.7	-68.8	-158.5	178.5	0	0	113.2	N41 A42	E39-N41 PolarHBondContact O-N 3Å; E39-A42 VanDerWaalsContact O-CB 3.24Å; E39-A42 WeakPolarHBondContact O-CB 3.24Å; E39-A42 PolarHBondContact O-N 3.38Å
40	T	89.5	Confident	93.8	Very high	43 Å²	43	45.5 Å²	45.5	26%	0.264	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-8.9	174.6	45.6	0	0	0	0	114.9	G20 L21 C22 K84	G20-T40 WeakPolarHBondContact O-CB 3.4Å; G20-T40 VanDerWaalsContact O-CG2 3.29Å; G20-T40 WeakPolarHBondContact O-CG2 3.45Å; G20-T40 PolarHBondContact O-N 2.89Å; G20-T40 PolarHBondContact O-OG1 3.18Å; L21-T40 VanDerWaalsContact O-CG2 3.31Å; L21-T40 WeakPolarHBondContact O-CG2 3.29Å; C22-T40 HydrophobicContact CB-CG2 4.2Å; T40-K84 WeakPolarHBondContact O-CD 3.37Å; T40-K84 WeakPolarHBondContact O-CE 3.5Å; T40-K84 PolarHBondContact O-NZ 2.71Å
41	N	91.2	Very high	94.1	Very high	91 Å²	91	44.8 Å²	44.8	49%	0.487	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	0.8	177.5	-90.1	-64.2	0	0	0	114.3	E39 K82	E39-N41 PolarHBondContact O-N 3Å; N41-K82 VanDerWaalsContact O-CD 3.24Å; N41-K82 WeakPolarHBondContact O-CD 3.43Å; N41-K82 WeakPolarHBondContact O-CE 3.37Å; N41-K82 WeakPolarHBondContact O-CG 3.46Å; N41-K82 PolarHBondContact OD1-NZ 2.88Å
42	A	93.8	Very high	94.4	Very high	5 Å²	5	43.3 Å²	43.3	4%	0.041	23%	0.227	C	C	.	.			trans	-58	148.2	-170.1	0	0	0	0	0	114.7	V38 E39 E46 K82 I83	V38-A42 HydrophobicContact CB-CB 4.21Å; V38-A42 HydrophobicContact CG2-CB 3.82Å; E39-A42 VanDerWaalsContact O-CB 3.24Å; E39-A42 WeakPolarHBondContact O-CB 3.24Å; E39-A42 PolarHBondContact O-N 3.38Å; A42-E46 WeakPolarHBondContact CA-OE2 3.44Å; A42-E46 HydrophobicContact CB-CB 4.14Å; A42-K82 WeakPolarHBondContact O-CA 3.44Å; A42-I83 HydrophobicContact CB-CD1 3.86Å; A42-I83 WeakPolarHBondContact O-CG1 3.42Å; A42-I83 PolarHBondContact O-N 2.9Å
43	T	95.3	Very high	94.5	Very high	39 Å²	39	47.1 Å²	47.1	24%	0.239	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-76.8	163.7	167.2	62.8	0	0	0	0	111.6	G45 E46 L47 H79 I83	T43-G45 PolarHBondContact O-N 3.06Å; T43-E46 VanDerWaalsContact CB-OE2 3.29Å; T43-E46 WeakPolarHBondContact CB-OE2 3.3Å; T43-E46 WeakPolarHBondContact CG2-OE2 3.15Å; T43-E46 PolarHBondContact N-OE2 3.29Å; T43-E46 PolarHBondContact O-N 3.15Å; T43-E46 WeakPolarHBondContact OG1-CG 3.21Å; T43-E46 PolarHBondContact OG1-N 2.87Å; T43-E46 PolarHBondContact OG1-OE2 2.77Å; T43-L47 PolarHBondContact O-N 3.16Å; T43-H79 WeakPolarHBondContact CB-O 3.4Å; T43-I83 WeakPolarHBondContact O-CG1 3.3Å
44	G	94.9	Very high	94.6	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-59.3	-33.1	170.8	0	0	0	0	0	113	F48 L77 E81	G44-F48 WeakPolarHBondContact O-CB 3.47Å; G44-F48 PolarHBondContact O-N 3.39Å; G44-L77 WeakPolarHBondContact O-CD2 3.48Å; G44-E81 PolarHBondContact N-O 3.18Å
45	G	95.7	Very high	94.5	Very high	19 Å²	19	53 Å²	53	20%	0.196	26%	0.256	C	S	.	.	H	α-helix	trans	-66.4	-38.5	178.7	0	0	0	0	0	113.2	T43 F48 Q49 H79	T43-G45 PolarHBondContact O-N 3.06Å; G45-F48 PolarHBondContact O-N 3.41Å; G45-Q49 VanDerWaalsContact O-CB 3.23Å; G45-Q49 WeakPolarHBondContact O-CB 3.37Å; G45-Q49 PolarHBondContact O-N 3.09Å; G45-H79 PolarHBondContact N-O 3.3Å; G45-H79 VanDerWaalsContact N-O 3.1Å
46	E	96.2	Very high	94.5	Very high	96 Å²	96	50.2 Å²	50.2	45%	0.449	25%	0.251	S	S	.	.	H	α-helix	trans	-68.1	-39.8	177.7	-73.4	157.1	119	0	0	112.3	A42 T43 Q49 A50	A42-E46 WeakPolarHBondContact CA-OE2 3.44Å; A42-E46 HydrophobicContact CB-CB 4.14Å; T43-E46 VanDerWaalsContact CB-OE2 3.29Å; T43-E46 WeakPolarHBondContact CB-OE2 3.3Å; T43-E46 WeakPolarHBondContact CG2-OE2 3.15Å; T43-E46 PolarHBondContact N-OE2 3.29Å; T43-E46 PolarHBondContact O-N 3.15Å; T43-E46 WeakPolarHBondContact OG1-CG 3.21Å; T43-E46 PolarHBondContact OG1-N 2.87Å; T43-E46 PolarHBondContact OG1-OE2 2.77Å; E46-Q49 PolarHBondContact O-N 3.33Å; E46-A50 WeakPolarHBondContact O-CB 3.42Å; E46-A50 PolarHBondContact O-N 3.14Å
47	L	95.8	Very high	94.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.3	-41.5	173.2	177.9	62.7	0	0	0	112	Y24 L36 V38 T43 L51 L65 L77 I83 F94	Y24-L47 HydrophobicContact CD2-CD1 4.02Å; Y24-L47 HydrophobicContact CD2-CD2 4.15Å; Y24-L47 HydrophobicContact CG-CD1 4.37Å; Y24-L47 HydrophobicContact CG-CD2 4.15Å; L36-L47 HydrophobicContact CB-CD1 4.08Å; L36-L47 HydrophobicContact CD1-CD1 3.84Å; V38-L47 HydrophobicContact CG1-CD1 4.16Å; V38-L47 HydrophobicContact CG2-CD1 4.42Å; T43-L47 PolarHBondContact O-N 3.16Å; L47-L51 PolarHBondContact O-N 3.13Å; L47-L51 VanDerWaalsContact O-N 3.15Å; L47-L65 HydrophobicContact CD2-CD1 3.91Å; L47-L65 HydrophobicContact CG-CD1 3.85Å; L47-L77 HydrophobicContact CD2-CD2 4.42Å; L47-I83 HydrophobicContact CB-CD1 3.79Å; L47-I83 HydrophobicContact CD2-CD1 4.09Å; L47-F94 HydrophobicContact CD2-CD2 3.91Å; L47-F94 HydrophobicContact CD2-CE2 3.63Å; L47-F94 HydrophobicContact CD2-CZ 4.11Å
48	F	97.2	Very high	94.5	Very high	8 Å²	8	47.2 Å²	47.2	4%	0.035	24%	0.237	C	C	.	.	H	α-helix	trans	-65.1	-41.4	176	-177.9	-112.1	0	0	0	112	G44 G45 L51 V52 K60 F63 L65 H79 F96	G44-F48 WeakPolarHBondContact O-CB 3.47Å; G44-F48 PolarHBondContact O-N 3.39Å; G45-F48 PolarHBondContact O-N 3.41Å; F48-L51 WeakPolarHBondContact O-CB 3.17Å; F48-L51 PolarHBondContact O-N 3.03Å; F48-V52 HydrophobicContact CD1-CG2 4.23Å; F48-V52 HydrophobicContact CD2-CG2 4.49Å; F48-V52 HydrophobicContact CE1-CG2 3.89Å; F48-V52 HydrophobicContact CE2-CG2 4.16Å; F48-V52 HydrophobicContact CZ-CG2 3.86Å; F48-V52 VanDerWaalsContact O-CG2 3.3Å; F48-V52 WeakPolarHBondContact O-CG2 3.09Å; F48-V52 PolarHBondContact O-N 3.09Å; F48-K60 HydrophobicContact CE1-CB 4.33Å; F48-K60 HydrophobicContact CE1-CG 4.44Å; F48-K60 HydrophobicContact CZ-CB 4.37Å; F48-K60 WeakPolarHBondContact CZ-O 3.41Å; F48-F63 HydrophobicContact CE2-CB 4.5Å; F48-F63 HydrophobicContact CZ-CB 4.42Å; F48-F63 WeakPolarHBondContact CZ-O 3.3Å; F48-L65 HydrophobicContact CD2-CG 4.28Å; F48-H79 AromaticContact CD1-CE1 3.26Å; F48-H79 WeakPolarHBondContact CD1-CE1 3.24Å; F48-H79 AromaticContact CD1-NE2 3.7Å; F48-H79 AromaticContact CE1-CE1 3.73Å; F48-H79 AromaticContact CG-CE1 3.75Å; F48-H79 AromaticContact CG-NE2 3.68Å; F48-F96 HydrophobicContact CE2-CD2 4.45Å; F48-F96 HydrophobicContact CE2-CE2 4.07Å
49	Q	96.7	Very high	94.5	Very high	60 Å²	60	46.6 Å²	46.6	28%	0.28	23%	0.233	S	C	.	.	H	α-helix	trans	-65	-42.3	177.5	-177.7	59.7	28.5	0	0	111.7	G45 E46 L51 V52 E53	G45-Q49 VanDerWaalsContact O-CB 3.23Å; G45-Q49 WeakPolarHBondContact O-CB 3.37Å; G45-Q49 PolarHBondContact O-N 3.09Å; E46-Q49 PolarHBondContact O-N 3.33Å; Q49-L51 VanDerWaalsContact C-N 3.29Å; Q49-L51 PolarHBondContact O-N 2.74Å; Q49-V52 PolarHBondContact O-N 3.3Å; Q49-E53 WeakPolarHBondContact CG-OE1 3.48Å; Q49-E53 PolarHBondContact NE2-OE1 3.37Å; Q49-E53 WeakPolarHBondContact O-CG 3.34Å; Q49-E53 PolarHBondContact O-N 3.17Å
50	A	96.5	Very high	94.6	Very high	27 Å²	27	43.1 Å²	43.1	22%	0.223	22%	0.216	C	C	.	.	H	α-helix	trans	-61	-36.5	174.5	0	0	0	0	0	112.7	V38 E46 R54	V38-A50 HydrophobicContact CG1-CB 4.03Å; E46-A50 WeakPolarHBondContact O-CB 3.42Å; E46-A50 PolarHBondContact O-N 3.14Å; A50-R54 VanDerWaalsContact O-CB 3.3Å; A50-R54 WeakPolarHBondContact O-CB 3.42Å; A50-R54 PolarHBondContact O-N 3.37Å
51	L	96.8	Very high	94.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66.3	-47	172	-179.8	66.3	0	0	0	111.9	V26 I34 L36 L47 F48 Q49 E53 R54 L55 L65 F96	V26-L51 HydrophobicContact CB-CD1 4.5Å; V26-L51 HydrophobicContact CG1-CD1 4.15Å; V26-L51 HydrophobicContact CG1-CD2 3.92Å; I34-L51 HydrophobicContact CB-CD1 4.44Å; I34-L51 HydrophobicContact CD1-CD1 3.92Å; I34-L51 HydrophobicContact CG2-CD1 4.17Å; L36-L51 HydrophobicContact CD1-CB 3.72Å; L36-L51 HydrophobicContact CD1-CD1 4.13Å; L47-L51 PolarHBondContact O-N 3.13Å; L47-L51 VanDerWaalsContact O-N 3.15Å; F48-L51 WeakPolarHBondContact O-CB 3.17Å; F48-L51 PolarHBondContact O-N 3.03Å; Q49-L51 VanDerWaalsContact C-N 3.29Å; Q49-L51 PolarHBondContact O-N 2.74Å; L51-E53 VanDerWaalsContact C-N 3.31Å; L51-E53 PolarHBondContact O-N 3.01Å; L51-R54 CarbonylContact O-C 3.56Å; L51-R54 WeakPolarHBondContact O-CB 3.23Å; L51-R54 PolarHBondContact O-N 2.88Å; L51-R54 VanDerWaalsContact O-N 3.15Å; L51-L55 HydrophobicContact CD1-CD1 4.02Å; L51-L55 HydrophobicContact CD1-CG 4.2Å; L51-L55 HydrophobicContact CG-CD1 3.93Å; L51-L55 HydrophobicContact CG-CG 4.41Å; L51-L55 WeakPolarHBondContact O-CB 3.4Å; L51-L55 WeakPolarHBondContact O-CG 3.42Å; L51-L55 PolarHBondContact O-N 3.26Å; L51-L65 HydrophobicContact CD2-CD2 3.72Å; L51-L65 HydrophobicContact CD2-CG 4.28Å; L51-F96 HydrophobicContact CD2-CB 4.02Å; L51-F96 HydrophobicContact CD2-CD2 3.41Å; L51-F96 VanDerWaalsContact CD2-CD2 3.41Å; L51-F96 HydrophobicContact CD2-CE2 4.06Å; L51-F96 HydrophobicContact CD2-CG 3.88Å
52	V	95.7	Very high	95.2	Very high	7 Å²	7	37.3 Å²	37.3	4%	0.042	18%	0.183	C	C	.	.	H	α-helix	trans	-61.1	-40.4	-179.7	165.3	0	0	0	0	111.6	F48 Q49 L55 N56 L57 K60	F48-V52 HydrophobicContact CD1-CG2 4.23Å; F48-V52 HydrophobicContact CD2-CG2 4.49Å; F48-V52 HydrophobicContact CE1-CG2 3.89Å; F48-V52 HydrophobicContact CE2-CG2 4.16Å; F48-V52 HydrophobicContact CZ-CG2 3.86Å; F48-V52 VanDerWaalsContact O-CG2 3.3Å; F48-V52 WeakPolarHBondContact O-CG2 3.09Å; F48-V52 PolarHBondContact O-N 3.09Å; Q49-V52 PolarHBondContact O-N 3.3Å; V52-L55 CarbonylContact O-C 3.55Å; V52-L55 PolarHBondContact O-N 3.19Å; V52-N56 WeakPolarHBondContact O-CA 3.3Å; V52-N56 PolarHBondContact O-N 3.45Å; V52-L57 HydrophobicContact CG1-CB 4.37Å; V52-L57 WeakPolarHBondContact CG1-O 3.46Å; V52-L57 PolarHBondContact O-N 3.47Å; V52-L57 VanDerWaalsContact O-N 3.09Å; V52-K60 HydrophobicContact CB-CB 4.44Å; V52-K60 HydrophobicContact CB-CD 4.47Å; V52-K60 HydrophobicContact CG1-CB 3.85Å; V52-K60 HydrophobicContact CG1-CD 3.76Å; V52-K60 HydrophobicContact CG1-CG 4.45Å; V52-K60 HydrophobicContact CG2-CB 3.67Å; V52-K60 HydrophobicContact CG2-CD 4.2Å
53	E	94.3	Very high	95.4	Very high	128 Å²	128	37.2 Å²	37.2	60%	0.598	18%	0.182	S	C	*	.	H	α-helix	trans	-65.9	-42.1	173.6	-73.8	169	-166.9	0	0	111.5	Q49 L51 L55 N56	Q49-E53 WeakPolarHBondContact CG-OE1 3.48Å; Q49-E53 PolarHBondContact NE2-OE1 3.37Å; Q49-E53 WeakPolarHBondContact O-CG 3.34Å; Q49-E53 PolarHBondContact O-N 3.17Å; L51-E53 VanDerWaalsContact C-N 3.31Å; L51-E53 PolarHBondContact O-N 3.01Å; E53-L55 VanDerWaalsContact C-N 3.29Å; E53-L55 PolarHBondContact O-N 2.97Å; E53-N56 PolarHBondContact O-N 2.76Å; E53-N56 VanDerWaalsContact O-N 3.16Å
54	R	93.9	Very high	95.5	Very high	189 Å²	189	35.3 Å²	35.3	71%	0.713	17%	0.171	S	C	*	.	H	α-helix	trans	-63.8	-32.4	175.7	-178.8	56.6	177.4	166.5	1.6	113.1	I34 L36 A50 L51	I34-R54 HydrophobicContact CG2-CG 4.1Å; L36-R54 HydrophobicContact CD2-CB 4.23Å; L36-R54 HydrophobicContact CD2-CG 4.34Å; A50-R54 VanDerWaalsContact O-CB 3.3Å; A50-R54 WeakPolarHBondContact O-CB 3.42Å; A50-R54 PolarHBondContact O-N 3.37Å; L51-R54 CarbonylContact O-C 3.56Å; L51-R54 WeakPolarHBondContact O-CB 3.23Å; L51-R54 PolarHBondContact O-N 2.88Å; L51-R54 VanDerWaalsContact O-N 3.15Å
55	L	93.6	Very high	95.7	Very high	25 Å²	25	35.3 Å²	35.3	13%	0.131	17%	0.171	C	C	.	.	H	α-helix	trans	-88.2	-11.2	175.1	-66.9	177.1	0	0	0	113.4	I34 L51 V52 E53 L57 F96 F112	I34-L55 HydrophobicContact CD1-CD2 3.73Å; I34-L55 HydrophobicContact CD1-CG 4.43Å; L51-L55 HydrophobicContact CD1-CD1 4.02Å; L51-L55 HydrophobicContact CD1-CG 4.2Å; L51-L55 HydrophobicContact CG-CD1 3.93Å; L51-L55 HydrophobicContact CG-CG 4.41Å; L51-L55 WeakPolarHBondContact O-CB 3.4Å; L51-L55 WeakPolarHBondContact O-CG 3.42Å; L51-L55 PolarHBondContact O-N 3.26Å; V52-L55 CarbonylContact O-C 3.55Å; V52-L55 PolarHBondContact O-N 3.19Å; E53-L55 VanDerWaalsContact C-N 3.29Å; E53-L55 PolarHBondContact O-N 2.97Å; L55-L57 HydrophobicContact CB-CB 4.3Å; L55-L57 PolarHBondContact O-N 3.07Å; L55-F96 HydrophobicContact CD1-CD1 4.23Å; L55-F96 HydrophobicContact CD1-CE1 3.86Å; L55-F96 HydrophobicContact CD1-CE2 4.42Å; L55-F96 HydrophobicContact CD1-CZ 3.97Å; L55-F112 HydrophobicContact CB-CE1 4.23Å; L55-F112 HydrophobicContact CB-CZ 4.4Å; L55-F112 WeakPolarHBondContact O-CE1 3.44Å
56	N	93.4	Very high	95.7	Very high	81 Å²	81	34.8 Å²	34.8	43%	0.433	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	36.8	-171.5	-172.9	31.3	0	0	0	113.9	V52 E53 R341	V52-N56 WeakPolarHBondContact O-CA 3.3Å; V52-N56 PolarHBondContact O-N 3.45Å; E53-N56 PolarHBondContact O-N 2.76Å; E53-N56 VanDerWaalsContact O-N 3.16Å; N56-R341 PolarHBondContact O-NH2 2.84Å; N56-R341 PolarHBondContact OD1-NH1 3.32Å
57	L	94.2	Very high	95.6	Very high	7 Å²	7	30.8 Å²	30.8	4%	0.037	14%	0.144	C	C	.	.			trans	-85	119.8	-172.4	176.6	61.6	0	0	0	112.7	V52 L55 K60 F63 F96 F112 L116	V52-L57 HydrophobicContact CG1-CB 4.37Å; V52-L57 WeakPolarHBondContact CG1-O 3.46Å; V52-L57 PolarHBondContact O-N 3.47Å; V52-L57 VanDerWaalsContact O-N 3.09Å; L55-L57 HydrophobicContact CB-CB 4.3Å; L55-L57 PolarHBondContact O-N 3.07Å; L57-K60 HydrophobicContact CD2-CB 4.42Å; L57-K60 HydrophobicContact CG-CB 4.44Å; L57-F63 HydrophobicContact CD1-CE2 4.32Å; L57-F63 HydrophobicContact CD2-CD2 3.72Å; L57-F63 HydrophobicContact CD2-CE2 3.89Å; L57-F63 HydrophobicContact CD2-CG 4.3Å; L57-F96 HydrophobicContact CD2-CZ 3.8Å; L57-F112 HydrophobicContact CB-CE1 4.23Å; L57-F112 HydrophobicContact CD1-CD1 3.96Å; L57-F112 HydrophobicContact CD1-CE1 4.23Å; L57-L116 HydrophobicContact CD1-CD1 4.01Å; L57-L116 HydrophobicContact CD2-CD1 4.23Å
58	L	92.9	Very high	95.3	Very high	27 Å²	27	35 Å²	35	14%	0.141	17%	0.17	C	C	.	.	S	Bend	trans	-75.4	-50.4	178.4	-178.1	60	0	0	0	113	K60 E110 C336	L58-K60 PolarHBondContact O-N 2.98Å; L58-E110 HydrophobicContact CB-CG 4.29Å; L58-E110 WeakPolarHBondContact CB-OE2 3.23Å; L58-E110 HydrophobicContact CD2-CG 4.23Å; L58-E110 PolarHBondContact N-OE2 2.77Å; L58-C336 HydrophobicContact CD2-CB 4.17Å
59	E	94.9	Very high	94.8	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.009	17%	0.173	C	C	.	.			trans	-85.7	45.3	-174.3	-67.1	174.9	99.2	0	0	112.3	D61 Y62 L108 H109 E110 T113 C336	E59-D61 PolarHBondContact O-N 2.93Å; E59-D61 VanDerWaalsContact O-N 3.1Å; E59-Y62 HydrophobicContact CB-CD2 3.95Å; E59-Y62 HydrophobicContact CB-CE2 4.06Å; E59-Y62 HydrophobicContact CG-CE2 4.48Å; E59-Y62 WeakPolarHBondContact O-CD2 3.44Å; E59-L108 WeakPolarHBondContact OE1-CA 3.39Å; E59-H109 PolarHBondContact OE1-N 2.94Å; E59-H109 PolarHBondContact OE2-N 2.8Å; E59-E110 PolarHBondContact OE2-N 2.86Å; E59-T113 HydrophobicContact CB-CG2 3.76Å; E59-T113 HydrophobicContact CG-CG2 4.46Å; E59-T113 WeakPolarHBondContact OE2-CB 3.26Å; E59-T113 PolarHBondContact OE2-OG1 2.94Å; E59-C336 VanDerWaalsContact CG-SG 3.51Å
60	K	95.4	Very high	94.1	Very high	52 Å²	52	41 Å²	41	23%	0.226	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-57.7	-28.3	-171.1	70.6	-173.7	-169	-177.6	0	114.8	F48 V52 L57 L58 Y62 F63	F48-K60 HydrophobicContact CE1-CB 4.33Å; F48-K60 HydrophobicContact CE1-CG 4.44Å; F48-K60 HydrophobicContact CZ-CB 4.37Å; F48-K60 WeakPolarHBondContact CZ-O 3.41Å; V52-K60 HydrophobicContact CB-CB 4.44Å; V52-K60 HydrophobicContact CB-CD 4.47Å; V52-K60 HydrophobicContact CG1-CB 3.85Å; V52-K60 HydrophobicContact CG1-CD 3.76Å; V52-K60 HydrophobicContact CG1-CG 4.45Å; V52-K60 HydrophobicContact CG2-CB 3.67Å; V52-K60 HydrophobicContact CG2-CD 4.2Å; L57-K60 HydrophobicContact CD2-CB 4.42Å; L57-K60 HydrophobicContact CG-CB 4.44Å; L58-K60 PolarHBondContact O-N 2.98Å; K60-Y62 PolarHBondContact O-N 3.1Å; K60-F63 PolarHBondContact O-N 3.23Å
61	D	95.8	Very high	93.5	Very high	8 Å²	8	49 Å²	49	4%	0.043	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-73.9	-12.6	-166.6	-41.8	-102.5	0	0	0	113.3	E59 F63 F100 F300 R327 T332	E59-D61 PolarHBondContact O-N 2.93Å; E59-D61 VanDerWaalsContact O-N 3.1Å; D61-F63 VanDerWaalsContact C-N 3.27Å; D61-F100 WeakPolarHBondContact O-CD2 3.48Å; D61-F300 HydrophobicContact CB-CE2 3.97Å; D61-F300 WeakPolarHBondContact O-CE2 3.26Å; D61-R327 VanDerWaalsContact CG-NE 3.33Å; D61-R327 WeakPolarHBondContact OD1-CB 3.36Å; D61-R327 IonicContact OD1-CZ 3.36Å; D61-R327 IonicContact OD1-NE 2.61Å; D61-R327 PolarHBondContact OD1-NE 3.45Å; D61-R327 IonicContact OD1-NH2 2.7Å; D61-R327 IonicContact OD2-CZ 3.43Å; D61-R327 VanDerWaalsContact OD2-CZ 3.29Å; D61-R327 IonicContact OD2-NE 4Å; D61-R327 PolarHBondContact OD2-NE 3.37Å; D61-R327 IonicContact OD2-NH2 2.78Å; D61-R327 PolarHBondContact OD2-NH2 3.35Å; D61-T332 HydrophobicContact CB-CG2 4.41Å; D61-T332 PolarHBondContact OD2-OG1 2.86Å
62	Y	97.1	Very high	92.9	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.016	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-73.6	-15.9	167.6	-64.2	-72.8	0	0	0	113.3	E59 K60 K99 F100 P102 L108 T113 F300 Q329 T332	E59-Y62 HydrophobicContact CB-CD2 3.95Å; E59-Y62 HydrophobicContact CB-CE2 4.06Å; E59-Y62 HydrophobicContact CG-CE2 4.48Å; E59-Y62 WeakPolarHBondContact O-CD2 3.44Å; K60-Y62 PolarHBondContact O-N 3.1Å; Y62-K99 PolarHBondContact O-N 3.1Å; Y62-F100 HydrophobicContact CD1-CB 4.33Å; Y62-F100 WeakPolarHBondContact CD1-O 3.46Å; Y62-F100 PolarHBondContact O-N 2.69Å; Y62-P102 HydrophobicContact CE1-CB 4.37Å; Y62-L108 HydrophobicContact CD2-CD2 3.83Å; Y62-L108 HydrophobicContact CE1-CD2 4.23Å; Y62-L108 HydrophobicContact CE2-CD2 3.27Å; Y62-L108 VanDerWaalsContact CZ-CD2 3.5Å; Y62-T113 HydrophobicContact CD2-CG2 4.37Å; Y62-F300 AromaticContact CD1-CE1 3.67Å; Y62-F300 HydrophobicContact CD1-CE1 3.67Å; Y62-F300 AromaticContact CD1-CZ 3.54Å; Y62-F300 HydrophobicContact CD1-CZ 3.54Å; Y62-F300 AromaticContact CE1-CE1 3.71Å; Y62-F300 HydrophobicContact CE1-CE1 3.71Å; Y62-F300 AromaticContact CE1-CZ 3.7Å; Y62-F300 HydrophobicContact CE1-CZ 3.7Å; Y62-F300 HydrophobicContact CG-CZ 4.2Å; Y62-Q329 HydrophobicContact CE1-CG 4.02Å; Y62-Q329 WeakPolarHBondContact OH-CG 3.44Å; Y62-Q329 PolarHBondContact OH-NE2 2.67Å; Y62-T332 HydrophobicContact CE2-CG2 4.39Å
63	F	97.9	Very high	92.4	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.009	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	163.7	-171.9	-55.4	-97.4	0	0	0	112	L29 F48 L57 K60 D61 F96 E97 V98 T113 L116	L29-F63 HydrophobicContact CD1-CD1 4.23Å; L29-F63 HydrophobicContact CD1-CE1 3.97Å; F48-F63 HydrophobicContact CE2-CB 4.5Å; F48-F63 HydrophobicContact CZ-CB 4.42Å; F48-F63 WeakPolarHBondContact CZ-O 3.3Å; L57-F63 HydrophobicContact CD1-CE2 4.32Å; L57-F63 HydrophobicContact CD2-CD2 3.72Å; L57-F63 HydrophobicContact CD2-CE2 3.89Å; L57-F63 HydrophobicContact CD2-CG 4.3Å; K60-F63 PolarHBondContact O-N 3.23Å; D61-F63 VanDerWaalsContact C-N 3.27Å; F63-F96 HydrophobicContact CB-CD2 4.38Å; F63-F96 HydrophobicContact CB-CE2 3.47Å; F63-F96 VanDerWaalsContact CB-CE2 3.47Å; F63-F96 HydrophobicContact CB-CZ 3.64Å; F63-F96 AromaticContact CD1-CE1 3.81Å; F63-F96 HydrophobicContact CD1-CE1 3.81Å; F63-F96 HydrophobicContact CD1-CE2 4.13Å; F63-F96 AromaticContact CD1-CZ 3.47Å; F63-F96 HydrophobicContact CD1-CZ 3.47Å; F63-F96 VanDerWaalsContact CD1-CZ 3.47Å; F63-F96 HydrophobicContact CD2-CZ 4.29Å; F63-F96 HydrophobicContact CE1-CE1 4.23Å; F63-F96 HydrophobicContact CE1-CZ 4.18Å; F63-F96 HydrophobicContact CG-CE1 4.34Å; F63-F96 AromaticContact CG-CE2 3.95Å; F63-F96 HydrophobicContact CG-CE2 3.95Å; F63-F96 AromaticContact CG-CZ 3.54Å; F63-F96 HydrophobicContact CG-CZ 3.54Å; F63-E97 WeakPolarHBondContact CA-O 3.39Å; F63-V98 HydrophobicContact CD1-CG2 3.83Å; F63-V98 HydrophobicContact CE1-CG2 3.57Å; F63-V98 HydrophobicContact CZ-CG2 4.41Å; F63-T113 HydrophobicContact CE2-CG2 3.95Å; F63-T113 HydrophobicContact CZ-CG2 4.16Å; F63-L116 HydrophobicContact CE1-CB 3.74Å; F63-L116 HydrophobicContact CE1-CD1 4.18Å; F63-L116 HydrophobicContact CZ-CB 3.78Å; F63-L116 HydrophobicContact CZ-CD1 3.97Å
64	N	97.6	Very high	92.2	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	176.4	166.6	-141.2	-61.2	0	0	0	111.2	W76 H79 E97 K99 E326	N64-W76 HydrophobicContact CB-CE3 3.79Å; N64-W76 HydrophobicContact CB-CZ3 4.07Å; N64-H79 VanDerWaalsContact CG-NE2 3.34Å; N64-H79 PolarHBondContact ND2-CE1 3.44Å; N64-H79 PolarHBondContact ND2-NE2 3.13Å; N64-H79 PolarHBondContact OD1-NE2 2.77Å; N64-E97 PolarHBondContact N-O 2.82Å; N64-E97 PolarHBondContact O-N 3.41Å; N64-E97 VanDerWaalsContact O-N 3.08Å; N64-K99 HydrophobicContact CB-CB 4.07Å; N64-K99 HydrophobicContact CB-CD 3.62Å; N64-K99 HydrophobicContact CB-CG 4.44Å; N64-K99 PolarHBondContact ND2-NZ 3.03Å; N64-E326 PolarHBondContact ND2-OE2 3.28Å
65	L	97.3	Very high	92.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	136.3	166.3	-73.7	178.5	0	0	0	109.9	V26 L47 F48 L51 L77 F94 A95 F96	V26-L65 HydrophobicContact CG1-CD2 3.59Å; V26-L65 HydrophobicContact CG2-CD1 4.41Å; V26-L65 HydrophobicContact CG2-CD2 4.15Å; L47-L65 HydrophobicContact CD2-CD1 3.91Å; L47-L65 HydrophobicContact CG-CD1 3.85Å; F48-L65 HydrophobicContact CD2-CG 4.28Å; L51-L65 HydrophobicContact CD2-CD2 3.72Å; L51-L65 HydrophobicContact CD2-CG 4.28Å; L65-L77 HydrophobicContact CB-CB 3.95Å; L65-L77 HydrophobicContact CB-CD2 3.77Å; L65-L77 HydrophobicContact CD1-CD2 3.74Å; L65-L77 HydrophobicContact CG-CD2 4.32Å; L65-L77 WeakPolarHBondContact O-CB 3.26Å; L65-L77 PolarHBondContact O-N 3.1Å; L65-F94 HydrophobicContact CB-CB 4.38Å; L65-F94 HydrophobicContact CB-CD1 4.31Å; L65-F94 HydrophobicContact CD1-CB 4.34Å; L65-F94 HydrophobicContact CD1-CG 4.37Å; L65-F94 HydrophobicContact CD2-CB 3.97Å; L65-F94 HydrophobicContact CG-CB 4.46Å; L65-A95 CarbonylContact C-O 3.52Å; L65-A95 WeakPolarHBondContact CA-O 3.45Å; L65-F96 HydrophobicContact CD2-CB 4.14Å
66	S	95.8	Very high	92.2	Very high	7 Å²	7	48.3 Å²	48.3	5%	0.049	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	157.4	168.2	92.6	0	0	0	0	111.5	K75 F94 A95 E97	S66-K75 CarbonylContact C-O 3.6Å; S66-K75 WeakPolarHBondContact CA-O 3.49Å; S66-K75 WeakPolarHBondContact CB-O 3.42Å; S66-F94 CarbonylContact O-C 3.45Å; S66-F94 VanDerWaalsContact O-CA 3.25Å; S66-F94 WeakPolarHBondContact O-CA 3.43Å; S66-A95 PolarHBondContact N-O 3.15Å; S66-A95 PolarHBondContact O-N 2.94Å; S66-E97 WeakPolarHBondContact CB-OE2 3.17Å; S66-E97 PolarHBondContact OG-OE2 2.87Å
67	Y	94.5	Very high	92.2	Very high	12 Å²	12	44.6 Å²	44.6	5%	0.047	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	158.1	172.2	65.4	-83.6	0	0	0	110.7	D69 K74 K75 I87 F94	Y67-D69 HydrophobicContact CE2-CB 4.25Å; Y67-K74 CarbonylContact O-C 3.6Å; Y67-K74 WeakPolarHBondContact O-CA 3.35Å; Y67-K75 HydrophobicContact CD1-CB 4.38Å; Y67-K75 HydrophobicContact CE1-CB 3.92Å; Y67-K75 HydrophobicContact CE2-CB 4.26Å; Y67-K75 HydrophobicContact CE2-CD 3.91Å; Y67-K75 PolarHBondContact N-O 3.42Å; Y67-K75 PolarHBondContact O-N 2.76Å; Y67-K75 VanDerWaalsContact OH-CD 3.3Å; Y67-K75 WeakPolarHBondContact OH-CD 3.18Å; Y67-I87 HydrophobicContact CD1-CG2 4.29Å; Y67-I87 HydrophobicContact CD2-CG2 3.51Å; Y67-I87 HydrophobicContact CE2-CG2 3.84Å; Y67-I87 HydrophobicContact CG-CG2 3.76Å; Y67-F94 HydrophobicContact CD1-CD1 4.29Å; Y67-F94 AromaticContact CD1-CE1 3.97Å; Y67-F94 HydrophobicContact CD1-CE1 3.97Å; Y67-F94 HydrophobicContact CG-CD1 4.45Å; Y67-F94 HydrophobicContact CG-CE1 4.2Å
68	V	90.4	Very high	92.2	Very high	89 Å²	89	46.6 Å²	46.6	54%	0.539	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	124.7	173.8	-177.2	0	0	0	0	109.2
69	D	85.7	Confident	92.3	Very high	19 Å²	19	46.7 Å²	46.7	10%	0.102	23%	0.225	C	C	.	.			trans	-80.3	172.3	179.1	100.7	-16.2	0	0	0	113	Y67 R71 G72 S73 K75 R285	Y67-D69 HydrophobicContact CE2-CB 4.25Å; D69-R71 PolarHBondContact O-N 2.85Å; D69-R71 WeakPolarHBondContact OD1-CA 3.48Å; D69-R71 WeakPolarHBondContact OD1-CB 3.4Å; D69-R71 PolarHBondContact OD1-N 3.18Å; D69-G72 PolarHBondContact O-N 3.42Å; D69-S73 PolarHBondContact N-O 3.47Å; D69-S73 PolarHBondContact OD1-N 2.94Å; D69-K75 HydrophobicContact CB-CD 4.07Å; D69-K75 WeakPolarHBondContact OD2-CE 3.43Å; D69-K75 IonicContact OD2-NZ 3.44Å; D69-K75 PolarHBondContact OD2-NZ 3.21Å; D69-R285 IonicContact OD1-NH2 3.68Å; D69-R285 IonicContact OD2-CZ 3.97Å; D69-R285 IonicContact OD2-NH1 2.64Å; D69-R285 PolarHBondContact OD2-NH1 3.27Å; D69-R285 IonicContact OD2-NH2 2.65Å; D69-R285 PolarHBondContact OD2-NH2 3.4Å
70	R	82.6	Confident	92.1	Very high	175 Å²	175	50.4 Å²	50.4	66%	0.66	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-5.8	-180	-75.9	-174.4	179.7	-177.5	4.4	115.3	P88	R70-P88 HydrophobicContact CG-CG 3.67Å; R70-P88 VanDerWaalsContact NE-CG 3.25Å; R70-P88 PolarHBondContact NH2-O 2.9Å
71	R	83.3	Confident	92	Very high	194 Å²	194	51.3 Å²	51.3	73%	0.732	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	15.1	176.1	-56.4	-175.5	173.1	-162.3	-5.1	113	D69 S73	D69-R71 PolarHBondContact O-N 2.85Å; D69-R71 WeakPolarHBondContact OD1-CA 3.48Å; D69-R71 WeakPolarHBondContact OD1-CB 3.4Å; D69-R71 PolarHBondContact OD1-N 3.18Å; R71-S73 PolarHBondContact O-N 3.45Å
72	G	83.9	Confident	91.9	Very high	59 Å²	59	55 Å²	55	61%	0.608	27%	0.272	S	S	*	.	S	Bend	trans	73	5.9	-175.5	0	0	0	0	0	114.1	D69	D69-G72 PolarHBondContact O-N 3.42Å
73	S	85.3	Confident	91.7	Very high	40 Å²	40	54.9 Å²	54.9	28%	0.28	27%	0.272	S	S	.	.			trans	-85.2	120.4	-178.4	-52.7	0	0	0	0	111	D69 R71	D69-S73 PolarHBondContact N-O 3.47Å; D69-S73 PolarHBondContact OD1-N 2.94Å; R71-S73 PolarHBondContact O-N 3.45Å
74	K	90.5	Very high	91.3	Very high	111 Å²	111	60.7 Å²	60.7	48%	0.483	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	141.7	166.7	178.1	172.2	169.2	170.3	0	110.3	Y67 E97	Y67-K74 CarbonylContact O-C 3.6Å; Y67-K74 WeakPolarHBondContact O-CA 3.35Å; K74-E97 WeakPolarHBondContact CE-OE2 3.5Å; K74-E97 IonicContact NZ-OE1 3.76Å; K74-E97 PolarHBondContact NZ-OE1 2.65Å; K74-E97 IonicContact NZ-OE2 2.76Å; K74-E97 PolarHBondContact NZ-OE2 2.74Å
75	K	92.1	Very high	90.9	Very high	64 Å²	64	67.3 Å²	67.3	28%	0.278	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	147.2	174.2	-70.4	-179.8	-174.6	162.8	0	110.5	S66 Y67 D69	S66-K75 CarbonylContact C-O 3.6Å; S66-K75 WeakPolarHBondContact CA-O 3.49Å; S66-K75 WeakPolarHBondContact CB-O 3.42Å; Y67-K75 HydrophobicContact CD1-CB 4.38Å; Y67-K75 HydrophobicContact CE1-CB 3.92Å; Y67-K75 HydrophobicContact CE2-CB 4.26Å; Y67-K75 HydrophobicContact CE2-CD 3.91Å; Y67-K75 PolarHBondContact N-O 3.42Å; Y67-K75 PolarHBondContact O-N 2.76Å; Y67-K75 VanDerWaalsContact OH-CD 3.3Å; Y67-K75 WeakPolarHBondContact OH-CD 3.18Å; D69-K75 HydrophobicContact CB-CD 4.07Å; D69-K75 WeakPolarHBondContact OD2-CE 3.43Å; D69-K75 IonicContact OD2-NZ 3.44Å; D69-K75 PolarHBondContact OD2-NZ 3.21Å
76	W	94.8	Very high	90.7	Very high	61 Å²	61	68.5 Å²	68.5	23%	0.231	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	147.7	161.1	-60.5	118.6	0	0	0	111.3	N64 E97 V98 K99 E212	N64-W76 HydrophobicContact CB-CE3 3.79Å; N64-W76 HydrophobicContact CB-CZ3 4.07Å; W76-E97 HydrophobicContact CH2-CB 4Å; W76-E97 HydrophobicContact CZ3-CB 4.03Å; W76-V98 WeakPolarHBondContact CH2-O 3.46Å; W76-K99 HydrophobicContact CD2-CD 4.43Å; W76-K99 HydrophobicContact CD2-CG 4.29Å; W76-K99 HydrophobicContact CH2-CB 3.95Å; W76-K99 HydrophobicContact CZ2-CB 4.01Å; W76-K99 HydrophobicContact CZ2-CG 4.16Å; W76-K99 HydrophobicContact CZ3-CB 4.24Å; W76-E212 PolarHBondContact NE1-OE2 2.85Å
77	L	95.1	Very high	90.2	Very high	3 Å²	3	68.5 Å²	68.5	2%	0.016	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-73	120.2	171.6	-178.8	64.6	0	0	0	109.4	G44 L47 L65 H79 F94	G44-L77 WeakPolarHBondContact O-CD2 3.48Å; L47-L77 HydrophobicContact CD2-CD2 4.42Å; L65-L77 HydrophobicContact CB-CB 3.95Å; L65-L77 HydrophobicContact CB-CD2 3.77Å; L65-L77 HydrophobicContact CD1-CD2 3.74Å; L65-L77 HydrophobicContact CG-CD2 4.32Å; L65-L77 WeakPolarHBondContact O-CB 3.26Å; L65-L77 PolarHBondContact O-N 3.1Å; L77-H79 PolarHBondContact O-CD2 3.02Å; L77-H79 PolarHBondContact O-N 2.92Å; L77-F94 HydrophobicContact CD1-CE1 3.98Å; L77-F94 HydrophobicContact CD1-CZ 4.49Å; L77-F94 HydrophobicContact CD2-CE1 4.49Å
78	D	93.6	Very high	88.9	Confident	49 Å²	49	70.8 Å²	70.8	26%	0.262	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-73.8	118.2	175.4	-167	-50.9	0	0	0	108.7	S80 E81 Q86 K292	D78-S80 PolarHBondContact O-N 2.65Å; D78-S80 WeakPolarHBondContact OD1-CB 3.43Å; D78-S80 PolarHBondContact OD1-N 2.87Å; D78-S80 PolarHBondContact OD1-OG 3.04Å; D78-E81 HydrophobicContact CB-CB 4.44Å; D78-E81 PolarHBondContact O-N 3.04Å; D78-Q86 PolarHBondContact O-NE2 3.32Å; D78-K292 IonicContact OD2-NZ 2.88Å
79	H	94.2	Very high	87.8	Confident	29 Å²	29	74.9 Å²	74.9	13%	0.134	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-24.2	-176.2	-73	-170.5	0	0	0	112.9	T43 G45 F48 N64 L77 E326	T43-H79 WeakPolarHBondContact CB-O 3.4Å; G45-H79 PolarHBondContact N-O 3.3Å; G45-H79 VanDerWaalsContact N-O 3.1Å; F48-H79 AromaticContact CD1-CE1 3.26Å; F48-H79 WeakPolarHBondContact CD1-CE1 3.24Å; F48-H79 AromaticContact CD1-NE2 3.7Å; F48-H79 AromaticContact CE1-CE1 3.73Å; F48-H79 AromaticContact CG-CE1 3.75Å; F48-H79 AromaticContact CG-NE2 3.68Å; N64-H79 VanDerWaalsContact CG-NE2 3.34Å; N64-H79 PolarHBondContact ND2-CE1 3.44Å; N64-H79 PolarHBondContact ND2-NE2 3.13Å; N64-H79 PolarHBondContact OD1-NE2 2.77Å; L77-H79 PolarHBondContact O-CD2 3.02Å; L77-H79 PolarHBondContact O-N 2.92Å; H79-E326 IonicContact CE1-OE2 2.94Å
80	S	91.1	Very high	86.7	Confident	80 Å²	80	78 Å²	78	56%	0.559	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-19.8	-176.2	73.5	0	0	0	0	114	D78	D78-S80 PolarHBondContact O-N 2.65Å; D78-S80 WeakPolarHBondContact OD1-CB 3.43Å; D78-S80 PolarHBondContact OD1-N 2.87Å; D78-S80 PolarHBondContact OD1-OG 3.04Å
81	E	92.6	Very high	86.2	Confident	72 Å²	72	73 Å²	73	34%	0.336	38%	0.378	S	S	.	.	S	Bend	trans	-105.2	145.2	-173.3	-87	-69.4	-154.1	0	0	114.2	G44 D78 I83 K85 Q86	G44-E81 PolarHBondContact N-O 3.18Å; D78-E81 HydrophobicContact CB-CB 4.44Å; D78-E81 PolarHBondContact O-N 3.04Å; E81-I83 PolarHBondContact O-N 3.27Å; E81-K85 IonicContact OE1-NZ 3.36Å; E81-K85 PolarHBondContact OE1-NZ 3.36Å; E81-K85 WeakPolarHBondContact OE2-CD 3.34Å; E81-K85 WeakPolarHBondContact OE2-CE 2.99Å; E81-K85 IonicContact OE2-NZ 3.59Å; E81-K85 PolarHBondContact OE2-NZ 3.25Å; E81-Q86 HydrophobicContact CB-CG 4.17Å; E81-Q86 PolarHBondContact O-NE2 3.27Å
82	K	93.8	Very high	85.9	Confident	85 Å²	85	65.4 Å²	65.4	37%	0.37	35%	0.354	S	S	.	.	B	Isolated β-bridge	trans	-59.1	133	178	-71.2	-165.9	169.3	-173.2	0	111.3	N41 A42 K84 K85	N41-K82 VanDerWaalsContact O-CD 3.24Å; N41-K82 WeakPolarHBondContact O-CD 3.43Å; N41-K82 WeakPolarHBondContact O-CE 3.37Å; N41-K82 WeakPolarHBondContact O-CG 3.46Å; N41-K82 PolarHBondContact OD1-NZ 2.88Å; A42-K82 WeakPolarHBondContact O-CA 3.44Å; K82-K84 PolarHBondContact O-N 3.36Å; K82-K84 VanDerWaalsContact O-N 3.13Å; K82-K85 HydrophobicContact CB-CD 4.28Å; K82-K85 HydrophobicContact CB-CG 4.38Å; K82-K85 WeakPolarHBondContact O-CB 3.32Å; K82-K85 PolarHBondContact O-N 2.78Å
83	I	92.9	Very high	86	Confident	2 Å²	2	65.9 Å²	65.9	1%	0.01	35%	0.348	C	S	.	.	H	α-helix	trans	-51.8	-44.7	-175	-59.1	160.2	0	0	0	110.9	Y24 V38 A42 T43 L47 E81 K85 Q86 I87 F94	Y24-I83 HydrophobicContact CD2-CD1 4.45Å; Y24-I83 HydrophobicContact CE1-CG2 3.9Å; Y24-I83 HydrophobicContact CE2-CD1 3.77Å; Y24-I83 HydrophobicContact CE2-CG2 4.39Å; V38-I83 HydrophobicContact CG2-CD1 4.13Å; A42-I83 HydrophobicContact CB-CD1 3.86Å; A42-I83 WeakPolarHBondContact O-CG1 3.42Å; A42-I83 PolarHBondContact O-N 2.9Å; T43-I83 WeakPolarHBondContact O-CG1 3.3Å; L47-I83 HydrophobicContact CB-CD1 3.79Å; L47-I83 HydrophobicContact CD2-CD1 4.09Å; E81-I83 PolarHBondContact O-N 3.27Å; I83-K85 PolarHBondContact O-N 2.94Å; I83-Q86 WeakPolarHBondContact O-CB 3.46Å; I83-Q86 PolarHBondContact O-N 3.26Å; I83-I87 HydrophobicContact CG2-CD1 3.74Å; I83-I87 HydrophobicContact CG2-CG1 3.65Å; I83-I87 WeakPolarHBondContact O-CG1 3.45Å; I83-I87 PolarHBondContact O-N 2.71Å; I83-F94 HydrophobicContact CG2-CZ 3.96Å
84	K	89.6	Confident	86.5	Confident	124 Å²	124	64.1 Å²	64.1	54%	0.539	34%	0.335	S	S	.	.	H	α-helix	trans	-62.8	-17.9	178.4	-70	178.5	173.8	171.8	0	115.7	T40 K82	T40-K84 WeakPolarHBondContact O-CD 3.37Å; T40-K84 WeakPolarHBondContact O-CE 3.5Å; T40-K84 PolarHBondContact O-NZ 2.71Å; K82-K84 PolarHBondContact O-N 3.36Å; K82-K84 VanDerWaalsContact O-N 3.13Å
85	K	90.8	Very high	86.8	Confident	139 Å²	139	59.6 Å²	59.6	60%	0.604	32%	0.319	S	S	*	.	H	α-helix	trans	-82.8	-26.4	170.6	-70.5	172	165.1	-173.2	0	112	E81 K82 I83	E81-K85 IonicContact OE1-NZ 3.36Å; E81-K85 PolarHBondContact OE1-NZ 3.36Å; E81-K85 WeakPolarHBondContact OE2-CD 3.34Å; E81-K85 WeakPolarHBondContact OE2-CE 2.99Å; E81-K85 IonicContact OE2-NZ 3.59Å; E81-K85 PolarHBondContact OE2-NZ 3.25Å; K82-K85 HydrophobicContact CB-CD 4.28Å; K82-K85 HydrophobicContact CB-CG 4.38Å; K82-K85 WeakPolarHBondContact O-CB 3.32Å; K82-K85 PolarHBondContact O-N 2.78Å; I83-K85 PolarHBondContact O-N 2.94Å
86	Q	91.3	Very high	87.1	Confident	24 Å²	24	56.6 Å²	56.6	11%	0.112	31%	0.306	C	S	.	.	H	α-helix	trans	-90.8	-52.5	-172.8	-58.8	-168.2	57.4	0	0	111.9	D78 E81 I83 P88	D78-Q86 PolarHBondContact O-NE2 3.32Å; E81-Q86 HydrophobicContact CB-CG 4.17Å; E81-Q86 PolarHBondContact O-NE2 3.27Å; I83-Q86 WeakPolarHBondContact O-CB 3.46Å; I83-Q86 PolarHBondContact O-N 3.26Å; Q86-P88 WeakPolarHBondContact O-CD 3.43Å
87	I	86.6	Confident	87.2	Confident	8 Å²	8	54.3 Å²	54.3	4%	0.041	30%	0.298	C	S	.	.			trans	-94.7	113.8	174.3	50.9	156.8	0	0	0	110.3	Y24 Y67 I83 R89 T92 F94	Y24-I87 HydrophobicContact CD1-CD1 4.38Å; Y24-I87 HydrophobicContact CE1-CD1 3.86Å; Y67-I87 HydrophobicContact CD1-CG2 4.29Å; Y67-I87 HydrophobicContact CD2-CG2 3.51Å; Y67-I87 HydrophobicContact CE2-CG2 3.84Å; Y67-I87 HydrophobicContact CG-CG2 3.76Å; I83-I87 HydrophobicContact CG2-CD1 3.74Å; I83-I87 HydrophobicContact CG2-CG1 3.65Å; I83-I87 WeakPolarHBondContact O-CG1 3.45Å; I83-I87 PolarHBondContact O-N 2.71Å; I87-R89 VanDerWaalsContact C-N 3.27Å; I87-R89 PolarHBondContact O-N 2.89Å; I87-T92 HydrophobicContact CB-CG2 4.43Å; I87-T92 HydrophobicContact CG2-CG2 3.79Å; I87-F94 HydrophobicContact CD1-CE2 4.01Å; I87-F94 HydrophobicContact CD1-CZ 3.65Å; I87-F94 HydrophobicContact CG1-CZ 4.11Å; I87-F94 HydrophobicContact CG2-CE1 4.05Å; I87-F94 HydrophobicContact CG2-CZ 4.02Å
88	P	65.9	Low	87.4	Confident	60 Å²	60	54.4 Å²	54.4	39%	0.39	30%	0.298	S	S	.	.			trans	-92.2	28	-171.6	39.4	-40.1	0	0	0	113.1	R70 Q86	R70-P88 HydrophobicContact CG-CG 3.67Å; R70-P88 VanDerWaalsContact NE-CG 3.25Å; R70-P88 PolarHBondContact NH2-O 2.9Å; Q86-P88 WeakPolarHBondContact O-CD 3.43Å
89	R	67.5	Low	87.5	Confident	175 Å²	175	52.9 Å²	52.9	66%	0.66	29%	0.289	S	S	*	.	S	Bend	trans	-152	147.6	172.9	-79	-170.6	168.5	133	-4.2	108.8	I87	I87-R89 VanDerWaalsContact C-N 3.27Å; I87-R89 PolarHBondContact O-N 2.89Å
90	S	63.9	Low	87.7	Confident	84 Å²	84	51.6 Å²	51.6	59%	0.587	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	149.1	159.2	49.1	0	0	0	0	109.6	Y14	Y14-S90 WeakPolarHBondContact OH-CB 3.38Å; Y14-S90 PolarHBondContact OH-OG 2.84Å
91	G	70.5	Confident	87.9	Confident	69 Å²	69	49.3 Å²	49.3	71%	0.711	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	16.4	-176.4	0	0	0	0	0	115.2	S93	G91-S93 PolarHBondContact O-N 2.83Å
92	T	78	Confident	88	Confident	35 Å²	35	46 Å²	46	22%	0.215	25%	0.247	C	C	.	.			trans	-76.3	115.3	160.2	-63.7	0	0	0	0	108.3	I87	I87-T92 HydrophobicContact CB-CG2 4.43Å; I87-T92 HydrophobicContact CG2-CG2 3.79Å
93	S	86.7	Confident	87.9	Confident	70 Å²	70	45 Å²	45	49%	0.49	25%	0.249	S	C	.	.			trans	-71.4	147.3	170	49.8	0	0	0	0	110.9	G91	G91-S93 PolarHBondContact O-N 2.83Å
94	F	95.6	Very high	87.8	Confident	3 Å²	3	46.3 Å²	46.3	1%	0.013	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	157.5	169.7	-62.7	-84.8	0	0	0	110	Y24 E25 V26 L27 L47 L65 S66 Y67 L77 I83 I87	Y24-F94 AromaticContact CD1-CE2 3.83Å; Y24-F94 HydrophobicContact CD1-CE2 3.83Å; Y24-F94 HydrophobicContact CE1-CE2 4.45Å; Y24-F94 HydrophobicContact CG-CE2 4.25Å; E25-F94 PolarHBondContact O-N 3.07Å; V26-F94 CarbonylContact C-O 3.4Å; V26-F94 WeakPolarHBondContact CA-O 3.43Å; V26-F94 HydrophobicContact CG2-CB 4.37Å; L27-F94 PolarHBondContact N-O 3.32Å; L47-F94 HydrophobicContact CD2-CD2 3.91Å; L47-F94 HydrophobicContact CD2-CE2 3.63Å; L47-F94 HydrophobicContact CD2-CZ 4.11Å; L65-F94 HydrophobicContact CB-CB 4.38Å; L65-F94 HydrophobicContact CB-CD1 4.31Å; L65-F94 HydrophobicContact CD1-CB 4.34Å; L65-F94 HydrophobicContact CD1-CG 4.37Å; L65-F94 HydrophobicContact CD2-CB 3.97Å; L65-F94 HydrophobicContact CG-CB 4.46Å; S66-F94 CarbonylContact O-C 3.45Å; S66-F94 VanDerWaalsContact O-CA 3.25Å; S66-F94 WeakPolarHBondContact O-CA 3.43Å; Y67-F94 HydrophobicContact CD1-CD1 4.29Å; Y67-F94 AromaticContact CD1-CE1 3.97Å; Y67-F94 HydrophobicContact CD1-CE1 3.97Å; Y67-F94 HydrophobicContact CG-CD1 4.45Å; Y67-F94 HydrophobicContact CG-CE1 4.2Å; L77-F94 HydrophobicContact CD1-CE1 3.98Å; L77-F94 HydrophobicContact CD1-CZ 4.49Å; L77-F94 HydrophobicContact CD2-CE1 4.49Å; I83-F94 HydrophobicContact CG2-CZ 3.96Å; I87-F94 HydrophobicContact CD1-CE2 4.01Å; I87-F94 HydrophobicContact CD1-CZ 3.65Å; I87-F94 HydrophobicContact CG1-CZ 4.11Å; I87-F94 HydrophobicContact CG2-CE1 4.05Å; I87-F94 HydrophobicContact CG2-CZ 4.02Å
95	A	96.6	Very high	88	Confident	16 Å²	16	40.6 Å²	40.6	13%	0.132	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	131.9	166.7	0	0	0	0	0	109.7	L65 S66 E97	L65-A95 CarbonylContact C-O 3.52Å; L65-A95 WeakPolarHBondContact CA-O 3.45Å; S66-A95 PolarHBondContact N-O 3.15Å; S66-A95 PolarHBondContact O-N 2.94Å; A95-E97 HydrophobicContact CB-CG 4.05Å
96	F	97.9	Very high	87.9	Confident	1 Å²	1	37.1 Å²	37.1	0%	0.004	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	122.5	168.8	179.3	-113	0	0	0	109.1	V26 L27 H28 L29 F48 L51 L55 L57 F63 L65 L116	V26-F96 HydrophobicContact CG1-CB 3.93Å; L27-F96 PolarHBondContact O-N 2.93Å; H28-F96 AromaticContact CD2-CD1 3.6Å; H28-F96 AromaticContact NE2-CD1 3.94Å; L29-F96 HydrophobicContact CD1-CD1 3.83Å; L29-F96 HydrophobicContact CD1-CE1 3.84Å; L29-F96 WeakPolarHBondContact CD2-O 3.32Å; L29-F96 HydrophobicContact CG-CD1 3.93Å; L29-F96 HydrophobicContact CG-CE1 4.43Å; L29-F96 WeakPolarHBondContact CG-O 3.42Å; F48-F96 HydrophobicContact CE2-CD2 4.45Å; F48-F96 HydrophobicContact CE2-CE2 4.07Å; L51-F96 HydrophobicContact CD2-CB 4.02Å; L51-F96 HydrophobicContact CD2-CD2 3.41Å; L51-F96 VanDerWaalsContact CD2-CD2 3.41Å; L51-F96 HydrophobicContact CD2-CE2 4.06Å; L51-F96 HydrophobicContact CD2-CG 3.88Å; L55-F96 HydrophobicContact CD1-CD1 4.23Å; L55-F96 HydrophobicContact CD1-CE1 3.86Å; L55-F96 HydrophobicContact CD1-CE2 4.42Å; L55-F96 HydrophobicContact CD1-CZ 3.97Å; L57-F96 HydrophobicContact CD2-CZ 3.8Å; F63-F96 HydrophobicContact CB-CD2 4.38Å; F63-F96 HydrophobicContact CB-CE2 3.47Å; F63-F96 VanDerWaalsContact CB-CE2 3.47Å; F63-F96 HydrophobicContact CB-CZ 3.64Å; F63-F96 AromaticContact CD1-CE1 3.81Å; F63-F96 HydrophobicContact CD1-CE1 3.81Å; F63-F96 HydrophobicContact CD1-CE2 4.13Å; F63-F96 AromaticContact CD1-CZ 3.47Å; F63-F96 HydrophobicContact CD1-CZ 3.47Å; F63-F96 VanDerWaalsContact CD1-CZ 3.47Å; F63-F96 HydrophobicContact CD2-CZ 4.29Å; F63-F96 HydrophobicContact CE1-CE1 4.23Å; F63-F96 HydrophobicContact CE1-CZ 4.18Å; F63-F96 HydrophobicContact CG-CE1 4.34Å; F63-F96 AromaticContact CG-CE2 3.95Å; F63-F96 HydrophobicContact CG-CE2 3.95Å; F63-F96 AromaticContact CG-CZ 3.54Å; F63-F96 HydrophobicContact CG-CZ 3.54Å; L65-F96 HydrophobicContact CD2-CB 4.14Å; F96-L116 HydrophobicContact CE1-CD1 4.21Å; F96-L116 HydrophobicContact CE1-CD2 4.44Å
97	E	97.8	Very high	87.8	Confident	13 Å²	13	39.2 Å²	39.2	6%	0.061	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	155.3	-170.5	-66.4	-174.4	115.3	0	0	111.5	F63 N64 S66 K74 W76 A95 K99 Q120 K123	F63-E97 WeakPolarHBondContact CA-O 3.39Å; N64-E97 PolarHBondContact N-O 2.82Å; N64-E97 PolarHBondContact O-N 3.41Å; N64-E97 VanDerWaalsContact O-N 3.08Å; S66-E97 WeakPolarHBondContact CB-OE2 3.17Å; S66-E97 PolarHBondContact OG-OE2 2.87Å; K74-E97 WeakPolarHBondContact CE-OE2 3.5Å; K74-E97 IonicContact NZ-OE1 3.76Å; K74-E97 PolarHBondContact NZ-OE1 2.65Å; K74-E97 IonicContact NZ-OE2 2.76Å; K74-E97 PolarHBondContact NZ-OE2 2.74Å; W76-E97 HydrophobicContact CH2-CB 4Å; W76-E97 HydrophobicContact CZ3-CB 4.03Å; A95-E97 HydrophobicContact CB-CG 4.05Å; E97-K99 PolarHBondContact O-N 2.94Å; E97-Q120 VanDerWaalsContact CB-OE1 3.31Å; E97-K123 IonicContact OE1-NZ 2.75Å; E97-K123 PolarHBondContact OE1-NZ 3.02Å
98	V	97.7	Very high	88.1	Confident	5 Å²	5	39.1 Å²	39.1	3%	0.03	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	126.2	171.8	-177.4	0	0	0	0	108.8	F63 W76 F100 Y101 L117 Q120	F63-V98 HydrophobicContact CD1-CG2 3.83Å; F63-V98 HydrophobicContact CE1-CG2 3.57Å; F63-V98 HydrophobicContact CZ-CG2 4.41Å; W76-V98 WeakPolarHBondContact CH2-O 3.46Å; V98-F100 VanDerWaalsContact CG1-O 3.26Å; V98-F100 WeakPolarHBondContact CG1-O 3.37Å; V98-Y101 HydrophobicContact CB-CD2 4.48Å; V98-Y101 HydrophobicContact CB-CE1 4.27Å; V98-Y101 HydrophobicContact CB-CE2 3.96Å; V98-Y101 HydrophobicContact CG1-CD1 4.23Å; V98-Y101 HydrophobicContact CG1-CD2 3.77Å; V98-Y101 HydrophobicContact CG1-CE1 4.23Å; V98-Y101 HydrophobicContact CG1-CE2 3.76Å; V98-Y101 HydrophobicContact CG1-CG 3.99Å; V98-L117 HydrophobicContact CG1-CD1 4.19Å; V98-L117 HydrophobicContact CG2-CD1 3.95Å; V98-Q120 HydrophobicContact CB-CB 4.46Å; V98-Q120 HydrophobicContact CB-CG 3.86Å; V98-Q120 HydrophobicContact CG2-CB 3.71Å; V98-Q120 HydrophobicContact CG2-CG 3.66Å
99	K	96.9	Very high	89.3	Confident	17 Å²	17	41.3 Å²	41.3	7%	0.074	24%	0.238	C	C	.	.	S	Bend	trans	-97.2	-31.5	176.7	177.8	178.9	166.2	-168.7	0	111.6	Y62 N64 W76 E97 E326	Y62-K99 PolarHBondContact O-N 3.1Å; N64-K99 HydrophobicContact CB-CB 4.07Å; N64-K99 HydrophobicContact CB-CD 3.62Å; N64-K99 HydrophobicContact CB-CG 4.44Å; N64-K99 PolarHBondContact ND2-NZ 3.03Å; W76-K99 HydrophobicContact CD2-CD 4.43Å; W76-K99 HydrophobicContact CD2-CG 4.29Å; W76-K99 HydrophobicContact CH2-CB 3.95Å; W76-K99 HydrophobicContact CZ2-CB 4.01Å; W76-K99 HydrophobicContact CZ2-CG 4.16Å; W76-K99 HydrophobicContact CZ3-CB 4.24Å; E97-K99 PolarHBondContact O-N 2.94Å; K99-E326 IonicContact NZ-OE1 3.46Å; K99-E326 PolarHBondContact NZ-OE1 3.14Å; K99-E326 IonicContact NZ-OE2 3.93Å; K99-E326 PolarHBondContact NZ-OE2 3.48Å
100	F	97.1	Very high	90.5	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	21%	0.209	C	C	.	.	S	Bend	trans	-132.4	119.8	178.6	-57.5	-70.5	0	0	0	111	D61 Y62 V98 A296 H297 F300 F301 Y324	D61-F100 WeakPolarHBondContact O-CD2 3.48Å; Y62-F100 HydrophobicContact CD1-CB 4.33Å; Y62-F100 WeakPolarHBondContact CD1-O 3.46Å; Y62-F100 PolarHBondContact O-N 2.69Å; V98-F100 VanDerWaalsContact CG1-O 3.26Å; V98-F100 WeakPolarHBondContact CG1-O 3.37Å; F100-A296 HydrophobicContact CE1-CB 4.37Å; F100-A296 HydrophobicContact CZ-CB 4.21Å; F100-H297 AromaticContact CD1-CD2 3.93Å; F100-F300 HydrophobicContact CB-CD1 3.64Å; F100-F300 HydrophobicContact CB-CE1 3.49Å; F100-F300 VanDerWaalsContact CB-CE1 3.49Å; F100-F300 HydrophobicContact CB-CG 4.39Å; F100-F300 HydrophobicContact CB-CZ 4.15Å; F100-F300 HydrophobicContact CD1-CB 4.12Å; F100-F300 AromaticContact CD1-CD1 3.9Å; F100-F300 HydrophobicContact CD1-CD1 3.9Å; F100-F300 HydrophobicContact CD1-CG 4.06Å; F100-F300 HydrophobicContact CD2-CB 4.45Å; F100-F300 AromaticContact CD2-CD1 3.9Å; F100-F300 HydrophobicContact CD2-CD1 3.9Å; F100-F300 AromaticContact CD2-CD2 3.85Å; F100-F300 HydrophobicContact CD2-CD2 3.85Å; F100-F300 HydrophobicContact CD2-CE1 4.05Å; F100-F300 HydrophobicContact CD2-CE2 4.02Å; F100-F300 AromaticContact CD2-CG 3.79Å; F100-F300 HydrophobicContact CD2-CG 3.79Å; F100-F300 HydrophobicContact CD2-CZ 4.11Å; F100-F300 HydrophobicContact CE1-CB 3.89Å; F100-F300 HydrophobicContact CE1-CG 4.21Å; F100-F300 HydrophobicContact CE2-CB 4.25Å; F100-F300 AromaticContact CE2-CD2 3.93Å; F100-F300 HydrophobicContact CE2-CD2 3.93Å; F100-F300 HydrophobicContact CE2-CE2 4.43Å; F100-F300 AromaticContact CE2-CG 3.97Å; F100-F300 HydrophobicContact CE2-CG 3.97Å; F100-F300 HydrophobicContact CG-CB 4.37Å; F100-F300 AromaticContact CG-CD1 3.53Å; F100-F300 HydrophobicContact CG-CD1 3.53Å; F100-F300 HydrophobicContact CG-CD2 4.33Å; F100-F300 AromaticContact CG-CE1 3.82Å; F100-F300 HydrophobicContact CG-CE1 3.82Å; F100-F300 AromaticContact CG-CG 3.81Å; F100-F300 HydrophobicContact CG-CG 3.81Å; F100-F300 HydrophobicContact CG-CZ 4.34Å; F100-F300 HydrophobicContact CZ-CB 3.93Å; F100-F300 HydrophobicContact CZ-CD2 4.45Å; F100-F300 HydrophobicContact CZ-CG 4.14Å; F100-F301 HydrophobicContact CB-CE2 3.95Å; F100-F301 HydrophobicContact CB-CZ 3.67Å; F100-F301 AromaticContact CD1-CE2 3.81Å; F100-F301 HydrophobicContact CD1-CE2 3.81Å; F100-F301 HydrophobicContact CD1-CZ 4.41Å; F100-F301 HydrophobicContact CG-CE2 4.27Å; F100-F301 HydrophobicContact CG-CZ 4.44Å; F100-Y324 WeakPolarHBondContact CE2-OH 3.36Å; F100-Y324 HydrophobicContact CZ-CE2 4.01Å; F100-Y324 AromaticContact CZ-CZ 3.88Å; F100-Y324 VanDerWaalsContact CZ-OH 3.24Å; F100-Y324 WeakPolarHBondContact CZ-OH 3.49Å
101	Y	97.2	Very high	91.8	Very high	32 Å²	32	32.1 Å²	32.1	13%	0.125	20%	0.195	C	C	.	.			trans	-96.6	121.7	-179	-65.8	-111.9	0	0	0	109	V98 L117 Q120 V121 N124 Y209 F301	V98-Y101 HydrophobicContact CB-CD2 4.48Å; V98-Y101 HydrophobicContact CB-CE1 4.27Å; V98-Y101 HydrophobicContact CB-CE2 3.96Å; V98-Y101 HydrophobicContact CG1-CD1 4.23Å; V98-Y101 HydrophobicContact CG1-CD2 3.77Å; V98-Y101 HydrophobicContact CG1-CE1 4.23Å; V98-Y101 HydrophobicContact CG1-CE2 3.76Å; V98-Y101 HydrophobicContact CG1-CG 3.99Å; Y101-L117 HydrophobicContact CD1-CD1 3.74Å; Y101-L117 HydrophobicContact CE1-CD1 4.06Å; Y101-Q120 HydrophobicContact CE1-CG 4.01Å; Y101-Q120 WeakPolarHBondContact OH-CG 3.48Å; Y101-V121 HydrophobicContact CE1-CG2 4.21Å; Y101-N124 PolarHBondContact OH-OD1 3.23Å; Y101-Y209 HydrophobicContact CD1-CE2 4.27Å; Y101-F301 VanDerWaalsContact O-CZ 3.28Å; Y101-F301 WeakPolarHBondContact O-CZ 3.36Å
102	P	94.3	Very high	93	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.013	16%	0.164	C	C	.	.			trans	-68.8	137.3	176.8	29.5	-35	0	0	0	110.9	Y62 D104 P105 L108 L117 Y209	Y62-P102 HydrophobicContact CE1-CB 4.37Å; P102-D104 PolarHBondContact O-N 3.43Å; P102-P105 HydrophobicContact CG-CB 4.45Å; P102-P105 HydrophobicContact CG-CG 4.36Å; P102-L108 HydrophobicContact CG-CD1 4.03Å; P102-L108 HydrophobicContact CG-CD2 4.03Å; P102-L108 HydrophobicContact CG-CG 4.02Å; P102-L117 HydrophobicContact CG-CD2 4.05Å; P102-Y209 PolarHBondContact O-OH 2.99Å
103	T	90.8	Very high	93.8	Very high	66 Å²	66	27.9 Å²	27.9	41%	0.405	15%	0.154	S	C	.	.	S	Bend	trans	-56.2	-33.4	171.8	51.1	0	0	0	0	112.6	R204 A231 D232	T103-R204 WeakPolarHBondContact O-CD 3.28Å; T103-A231 HydrophobicContact CG2-CB 3.58Å; T103-D232 VanDerWaalsContact CG2-OD1 3.25Å; T103-D232 WeakPolarHBondContact CG2-OD1 3.25Å
104	D	91.6	Very high	94.2	Very high	29 Å²	29	26.5 Å²	26.5	16%	0.155	14%	0.139	C	C	.	.			trans	-126.4	94.2	176.6	-173.2	10.6	0	0	0	110.9	P102 S106 Q107 R204	P102-D104 PolarHBondContact O-N 3.43Å; D104-S106 PolarHBondContact O-N 3.5Å; D104-S106 VanDerWaalsContact O-N 3.09Å; D104-S106 WeakPolarHBondContact OD1-CB 3.49Å; D104-S106 PolarHBondContact OD1-N 2.88Å; D104-S106 PolarHBondContact OD1-OG 2.85Å; D104-S106 PolarHBondContact OD2-OG 3.37Å; D104-S106 VanDerWaalsContact OD2-OG 3.11Å; D104-Q107 HydrophobicContact CB-CG 3.96Å; D104-Q107 WeakPolarHBondContact O-CB 3.34Å; D104-Q107 PolarHBondContact O-N 3.07Å; D104-Q107 WeakPolarHBondContact OD2-CG 3.35Å; D104-Q107 PolarHBondContact OD2-NE2 3.2Å; D104-R204 VanDerWaalsContact CG-NH1 3.25Å; D104-R204 IonicContact OD1-CZ 3.47Å; D104-R204 IonicContact OD1-NH1 3.83Å; D104-R204 PolarHBondContact OD1-NH1 3.27Å; D104-R204 IonicContact OD1-NH2 3.53Å
105	P	92.8	Very high	94.2	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.019	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-63.2	-11.7	178.6	-25	36.4	0	0	0	114.6	P102 Q107 L108 L117 L200 Y209	P102-P105 HydrophobicContact CG-CB 4.45Å; P102-P105 HydrophobicContact CG-CG 4.36Å; P105-Q107 PolarHBondContact O-N 2.99Å; P105-L108 HydrophobicContact CB-CD1 4.46Å; P105-L108 WeakPolarHBondContact O-CB 3.49Å; P105-L108 PolarHBondContact O-N 2.87Å; P105-L117 HydrophobicContact CB-CD2 3.99Å; P105-L117 HydrophobicContact CG-CD2 4.16Å; P105-L200 HydrophobicContact CB-CB 3.88Å; P105-L200 HydrophobicContact CB-CD1 3.93Å; P105-L200 HydrophobicContact CB-CG 4.37Å; P105-L200 HydrophobicContact CG-CB 4.12Å; P105-Y209 WeakPolarHBondContact CG-OH 3.36Å
106	S	89.8	Confident	94.2	Very high	66 Å²	66	25.9 Å²	25.9	46%	0.462	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-70.1	-15.8	171.4	75.6	0	0	0	0	113.1	D104 L108	D104-S106 PolarHBondContact O-N 3.5Å; D104-S106 VanDerWaalsContact O-N 3.09Å; D104-S106 WeakPolarHBondContact OD1-CB 3.49Å; D104-S106 PolarHBondContact OD1-N 2.88Å; D104-S106 PolarHBondContact OD1-OG 2.85Å; D104-S106 PolarHBondContact OD2-OG 3.37Å; D104-S106 VanDerWaalsContact OD2-OG 3.11Å; S106-L108 VanDerWaalsContact C-N 3.3Å
107	Q	88.6	Confident	94.2	Very high	69 Å²	69	26 Å²	26	32%	0.322	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-89.3	7.4	178	-54.6	177.8	15.1	0	0	113	D104 P105	D104-Q107 HydrophobicContact CB-CG 3.96Å; D104-Q107 WeakPolarHBondContact O-CB 3.34Å; D104-Q107 PolarHBondContact O-N 3.07Å; D104-Q107 WeakPolarHBondContact OD2-CG 3.35Å; D104-Q107 PolarHBondContact OD2-NE2 3.2Å; P105-Q107 PolarHBondContact O-N 2.99Å
108	L	93.2	Very high	94.2	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.026	13%	0.131	C	C	.	.			trans	-83.4	129.8	169.7	-67.4	177.1	0	0	0	110.3	E59 Y62 P102 P105 S106 T113 R114 L117	E59-L108 WeakPolarHBondContact OE1-CA 3.39Å; Y62-L108 HydrophobicContact CD2-CD2 3.83Å; Y62-L108 HydrophobicContact CE1-CD2 4.23Å; Y62-L108 HydrophobicContact CE2-CD2 3.27Å; Y62-L108 VanDerWaalsContact CZ-CD2 3.5Å; P102-L108 HydrophobicContact CG-CD1 4.03Å; P102-L108 HydrophobicContact CG-CD2 4.03Å; P102-L108 HydrophobicContact CG-CG 4.02Å; P105-L108 HydrophobicContact CB-CD1 4.46Å; P105-L108 WeakPolarHBondContact O-CB 3.49Å; P105-L108 PolarHBondContact O-N 2.87Å; S106-L108 VanDerWaalsContact C-N 3.3Å; L108-T113 HydrophobicContact CB-CG2 4.46Å; L108-T113 HydrophobicContact CD1-CG2 4.06Å; L108-T113 HydrophobicContact CD2-CG2 3.89Å; L108-T113 HydrophobicContact CG-CG2 4.37Å; L108-R114 HydrophobicContact CB-CG 3.66Å; L108-R114 HydrophobicContact CD1-CG 3.95Å; L108-R114 HydrophobicContact CG-CG 4.45Å; L108-R114 PolarHBondContact O-NH1 3.13Å; L108-L117 HydrophobicContact CD1-CD2 3.67Å
109	H	91.3	Very high	94.1	Very high	107 Å²	107	25.2 Å²	25.2	50%	0.495	13%	0.13	S	C	.	.			trans	-75.3	-55.3	-169.4	-169.4	50.8	0	0	0	113.1	E59 R114 C336	E59-H109 PolarHBondContact OE1-N 2.94Å; E59-H109 PolarHBondContact OE2-N 2.8Å; H109-R114 PolarHBondContact O-NH1 3.28Å; H109-R114 VanDerWaalsContact O-NH1 3.1Å; H109-C336 HydrophobicContact CB-CB 4.17Å
110	E	91.7	Very high	94.1	Very high	8 Å²	8	24.5 Å²	24.5	4%	0.037	13%	0.127	C	C	.	.	S	Bend	trans	-86.6	137.3	-178.6	-68.9	-164.6	125.1	0	0	112.3	L58 E59 F112 T113 R114 R341 A344	L58-E110 HydrophobicContact CB-CG 4.29Å; L58-E110 WeakPolarHBondContact CB-OE2 3.23Å; L58-E110 HydrophobicContact CD2-CG 4.23Å; L58-E110 PolarHBondContact N-OE2 2.77Å; E59-E110 PolarHBondContact OE2-N 2.86Å; E110-F112 PolarHBondContact O-N 2.92Å; E110-T113 WeakPolarHBondContact O-CB 3.36Å; E110-T113 PolarHBondContact O-N 2.81Å; E110-R114 PolarHBondContact O-N 2.99Å; E110-R341 VanDerWaalsContact CD-NH2 3.32Å; E110-R341 IonicContact OE1-CZ 3.33Å; E110-R341 IonicContact OE1-NE 3.07Å; E110-R341 PolarHBondContact OE1-NE 3.11Å; E110-R341 VanDerWaalsContact OE1-NE 3.07Å; E110-R341 IonicContact OE1-NH2 2.74Å; E110-R341 PolarHBondContact OE1-NH2 2.85Å; E110-R341 IonicContact OE2-CZ 3.92Å; E110-R341 IonicContact OE2-NH2 3.09Å; E110-R341 PolarHBondContact OE2-NH2 2.8Å; E110-R341 VanDerWaalsContact OE2-NH2 3.09Å; E110-A344 PolarHBondContact OE1-N 2.88Å
111	D	92.8	Very high	94	Very high	57 Å²	57	24.5 Å²	24.5	31%	0.305	13%	0.127	S	C	.	.	H	α-helix	trans	-50.9	-35.6	168.2	-74.4	64.7	0	0	0	112.8	R114 Y115 A193 F346	D111-R114 PolarHBondContact O-N 2.62Å; D111-R114 IonicContact OD1-CZ 2.71Å; D111-R114 IonicContact OD1-NH2 3.46Å; D111-R114 PolarHBondContact OD1-NH2 2.62Å; D111-R114 IonicContact OD2-NH2 3.61Å; D111-R114 PolarHBondContact OD2-NH2 3.48Å; D111-Y115 PolarHBondContact O-N 2.8Å; D111-A193 WeakPolarHBondContact OD2-CB 3.47Å; D111-F346 HydrophobicContact CB-CE1 4.04Å; D111-F346 HydrophobicContact CB-CZ 4.25Å
112	F	94.3	Very high	94	Very high	13 Å²	13	23 Å²	23	6%	0.057	12%	0.121	C	C	.	.	H	α-helix	trans	-63.7	-42.1	177.9	-174.5	-134.1	0	0	0	112	L55 L57 E110 R114 Y115 L116 A344 F346	L55-F112 HydrophobicContact CB-CE1 4.23Å; L55-F112 HydrophobicContact CB-CZ 4.4Å; L55-F112 WeakPolarHBondContact O-CE1 3.44Å; L57-F112 HydrophobicContact CB-CE1 4.23Å; L57-F112 HydrophobicContact CD1-CD1 3.96Å; L57-F112 HydrophobicContact CD1-CE1 4.23Å; E110-F112 PolarHBondContact O-N 2.92Å; F112-R114 VanDerWaalsContact C-N 3.32Å; F112-R114 PolarHBondContact O-N 2.75Å; F112-Y115 HydrophobicContact CD2-CD1 4.39Å; F112-Y115 PolarHBondContact O-N 3.41Å; F112-L116 HydrophobicContact CD1-CD1 4.15Å; F112-L116 HydrophobicContact CD2-CD1 4.39Å; F112-L116 HydrophobicContact CD2-CG 4.24Å; F112-L116 HydrophobicContact CE1-CD1 3.84Å; F112-L116 HydrophobicContact CE2-CD1 4.11Å; F112-L116 HydrophobicContact CE2-CD2 4.01Å; F112-L116 HydrophobicContact CE2-CG 3.98Å; F112-L116 HydrophobicContact CG-CD1 4.42Å; F112-L116 HydrophobicContact CZ-CD1 3.82Å; F112-L116 HydrophobicContact CZ-CD2 4.16Å; F112-L116 HydrophobicContact CZ-CG 4.17Å; F112-L116 VanDerWaalsContact O-CG 3.3Å; F112-L116 WeakPolarHBondContact O-CG 3.35Å; F112-L116 PolarHBondContact O-N 3Å; F112-A344 HydrophobicContact CB-CB 4.11Å; F112-A344 HydrophobicContact CD1-CB 4.22Å; F112-A344 HydrophobicContact CG-CB 4.37Å; F112-F346 VanDerWaalsContact CA-CE1 3.44Å; F112-F346 HydrophobicContact CB-CD1 3.61Å; F112-F346 HydrophobicContact CB-CE1 3.64Å; F112-F346 HydrophobicContact CB-CG 4.3Å; F112-F346 HydrophobicContact CB-CZ 4.32Å; F112-F346 HydrophobicContact CD2-CB 3.72Å; F112-F346 AromaticContact CD2-CD1 3.65Å; F112-F346 HydrophobicContact CD2-CD1 3.65Å; F112-F346 AromaticContact CD2-CD2 3.73Å; F112-F346 HydrophobicContact CD2-CD2 3.73Å; F112-F346 HydrophobicContact CD2-CE1 4.16Å; F112-F346 HydrophobicContact CD2-CE2 4.21Å; F112-F346 AromaticContact CD2-CG 3.42Å; F112-F346 HydrophobicContact CD2-CG 3.42Å; F112-F346 VanDerWaalsContact CD2-CG 3.42Å; F112-F346 HydrophobicContact CD2-CZ 4.41Å; F112-F346 HydrophobicContact CE2-CB 3.92Å; F112-F346 HydrophobicContact CE2-CD2 4.29Å; F112-F346 HydrophobicContact CE2-CG 4.07Å; F112-F346 HydrophobicContact CG-CB 4.46Å; F112-F346 AromaticContact CG-CD1 3.93Å; F112-F346 HydrophobicContact CG-CD1 3.93Å; F112-F346 HydrophobicContact CG-CE1 4.35Å; F112-F346 HydrophobicContact CG-CG 4.15Å
113	T	95.5	Very high	93.9	Very high	2 Å²	2	26 Å²	26	1%	0.012	13%	0.134	C	C	.	.	H	α-helix	trans	-61.5	-41.4	175.2	-46.2	0	0	0	0	111.4	E59 Y62 F63 L108 E110 L117	E59-T113 HydrophobicContact CB-CG2 3.76Å; E59-T113 HydrophobicContact CG-CG2 4.46Å; E59-T113 WeakPolarHBondContact OE2-CB 3.26Å; E59-T113 PolarHBondContact OE2-OG1 2.94Å; Y62-T113 HydrophobicContact CD2-CG2 4.37Å; F63-T113 HydrophobicContact CE2-CG2 3.95Å; F63-T113 HydrophobicContact CZ-CG2 4.16Å; L108-T113 HydrophobicContact CB-CG2 4.46Å; L108-T113 HydrophobicContact CD1-CG2 4.06Å; L108-T113 HydrophobicContact CD2-CG2 3.89Å; L108-T113 HydrophobicContact CG-CG2 4.37Å; E110-T113 WeakPolarHBondContact O-CB 3.36Å; E110-T113 PolarHBondContact O-N 2.81Å; T113-L117 WeakPolarHBondContact O-CB 3.39Å; T113-L117 PolarHBondContact O-N 2.66Å
114	R	95.6	Very high	94.1	Very high	42 Å²	42	24 Å²	24	16%	0.158	12%	0.12	C	C	.	.	H	α-helix	trans	-66.5	-43.3	176.6	-62.5	-169	-60.7	-87.4	0.6	111.4	L108 H109 E110 D111 F112 L117 C118 L200	L108-R114 HydrophobicContact CB-CG 3.66Å; L108-R114 HydrophobicContact CD1-CG 3.95Å; L108-R114 HydrophobicContact CG-CG 4.45Å; L108-R114 PolarHBondContact O-NH1 3.13Å; H109-R114 PolarHBondContact O-NH1 3.28Å; H109-R114 VanDerWaalsContact O-NH1 3.1Å; E110-R114 PolarHBondContact O-N 2.99Å; D111-R114 PolarHBondContact O-N 2.62Å; D111-R114 IonicContact OD1-CZ 2.71Å; D111-R114 IonicContact OD1-NH2 3.46Å; D111-R114 PolarHBondContact OD1-NH2 2.62Å; D111-R114 IonicContact OD2-NH2 3.61Å; D111-R114 PolarHBondContact OD2-NH2 3.48Å; F112-R114 VanDerWaalsContact C-N 3.32Å; F112-R114 PolarHBondContact O-N 2.75Å; R114-L117 PolarHBondContact O-N 2.8Å; R114-C118 PolarHBondContact O-N 2.8Å; R114-C118 PolarHBondContact O-SG 3.4Å; R114-C118 VanDerWaalsContact O-SG 3.34Å; R114-L200 HydrophobicContact CB-CD1 4.14Å
115	Y	95.5	Very high	94.2	Very high	5 Å²	5	23.2 Å²	23.2	2%	0.02	12%	0.116	C	C	.	.	H	α-helix	trans	-59.3	-49.3	174.1	173.7	-125.8	0	0	0	112.5	D111 F112 L117 C118 L119 Q148 E196 F346 R348 S349	D111-Y115 PolarHBondContact O-N 2.8Å; F112-Y115 HydrophobicContact CD2-CD1 4.39Å; F112-Y115 PolarHBondContact O-N 3.41Å; Y115-L117 VanDerWaalsContact C-N 3.26Å; Y115-L117 PolarHBondContact O-N 3.18Å; Y115-C118 WeakPolarHBondContact O-CA 3.48Å; Y115-C118 VanDerWaalsContact O-CB 3.32Å; Y115-C118 WeakPolarHBondContact O-CB 3.28Å; Y115-C118 PolarHBondContact O-N 2.98Å; Y115-L119 HydrophobicContact CD1-CD1 4.4Å; Y115-L119 HydrophobicContact CD2-CD2 4.43Å; Y115-L119 HydrophobicContact CD2-CG 4.26Å; Y115-L119 HydrophobicContact CE1-CD1 3.87Å; Y115-L119 HydrophobicContact CE1-CG 4.4Å; Y115-L119 HydrophobicContact CE2-CD1 4.18Å; Y115-L119 HydrophobicContact CE2-CD2 3.64Å; Y115-L119 HydrophobicContact CE2-CG 3.85Å; Y115-L119 WeakPolarHBondContact O-CG 3.24Å; Y115-L119 PolarHBondContact O-N 3.3Å; Y115-Q148 PolarHBondContact OH-OE1 3.36Å; Y115-E196 WeakPolarHBondContact CD2-OE1 3.02Å; Y115-F346 AromaticContact CD1-CD2 3.62Å; Y115-F346 HydrophobicContact CD1-CD2 3.62Å; Y115-F346 AromaticContact CD1-CE2 3.35Å; Y115-F346 HydrophobicContact CD1-CE2 3.35Å; Y115-F346 HydrophobicContact CD1-CZ 4.36Å; Y115-F346 HydrophobicContact CE1-CD2 4.07Å; Y115-F346 HydrophobicContact CE1-CE2 4.1Å; Y115-F346 HydrophobicContact CG-CD2 4.35Å; Y115-F346 AromaticContact CG-CE2 3.62Å; Y115-F346 HydrophobicContact CG-CE2 3.62Å; Y115-F346 HydrophobicContact CG-CZ 4.36Å; Y115-R348 HydrophobicContact CD2-CG 4.21Å; Y115-R348 HydrophobicContact CE1-CG 4.39Å; Y115-R348 HydrophobicContact CE2-CB 4.33Å; Y115-R348 HydrophobicContact CE2-CG 4.09Å; Y115-R348 HydrophobicContact CG-CG 4.44Å; Y115-S349 PolarHBondContact OH-N 3.41Å; Y115-S349 PolarHBondContact OH-O 2.86Å; Y115-S349 VanDerWaalsContact OH-O 3.11Å
116	L	96.7	Very high	94	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59	-37.9	176.9	-68.1	172.5	0	0	0	111.9	L29 L57 F63 F96 F112 L119 Q120	L29-L116 HydrophobicContact CB-CD2 4.38Å; L29-L116 HydrophobicContact CD1-CB 4.03Å; L29-L116 HydrophobicContact CD1-CD2 4.2Å; L57-L116 HydrophobicContact CD1-CD1 4.01Å; L57-L116 HydrophobicContact CD2-CD1 4.23Å; F63-L116 HydrophobicContact CE1-CB 3.74Å; F63-L116 HydrophobicContact CE1-CD1 4.18Å; F63-L116 HydrophobicContact CZ-CB 3.78Å; F63-L116 HydrophobicContact CZ-CD1 3.97Å; F96-L116 HydrophobicContact CE1-CD1 4.21Å; F96-L116 HydrophobicContact CE1-CD2 4.44Å; F112-L116 HydrophobicContact CD1-CD1 4.15Å; F112-L116 HydrophobicContact CD2-CD1 4.39Å; F112-L116 HydrophobicContact CD2-CG 4.24Å; F112-L116 HydrophobicContact CE1-CD1 3.84Å; F112-L116 HydrophobicContact CE2-CD1 4.11Å; F112-L116 HydrophobicContact CE2-CD2 4.01Å; F112-L116 HydrophobicContact CE2-CG 3.98Å; F112-L116 HydrophobicContact CG-CD1 4.42Å; F112-L116 HydrophobicContact CZ-CD1 3.82Å; F112-L116 HydrophobicContact CZ-CD2 4.16Å; F112-L116 HydrophobicContact CZ-CG 4.17Å; F112-L116 VanDerWaalsContact O-CG 3.3Å; F112-L116 WeakPolarHBondContact O-CG 3.35Å; F112-L116 PolarHBondContact O-N 3Å; L116-L119 HydrophobicContact CD2-CD1 4.43Å; L116-L119 PolarHBondContact O-N 2.81Å; L116-Q120 PolarHBondContact O-N 2.79Å; L116-Q120 VanDerWaalsContact O-N 3.07Å
117	L	97.3	Very high	94	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.016	13%	0.128	C	C	.	.	H	α-helix	trans	-66.3	-39.4	174.1	-175.9	60.5	0	0	0	112.2	V98 Y101 P102 P105 L108 T113 R114 Y115 Q120 V121 L200	V98-L117 HydrophobicContact CG1-CD1 4.19Å; V98-L117 HydrophobicContact CG2-CD1 3.95Å; Y101-L117 HydrophobicContact CD1-CD1 3.74Å; Y101-L117 HydrophobicContact CE1-CD1 4.06Å; P102-L117 HydrophobicContact CG-CD2 4.05Å; P105-L117 HydrophobicContact CB-CD2 3.99Å; P105-L117 HydrophobicContact CG-CD2 4.16Å; L108-L117 HydrophobicContact CD1-CD2 3.67Å; T113-L117 WeakPolarHBondContact O-CB 3.39Å; T113-L117 PolarHBondContact O-N 2.66Å; R114-L117 PolarHBondContact O-N 2.8Å; Y115-L117 VanDerWaalsContact C-N 3.26Å; Y115-L117 PolarHBondContact O-N 3.18Å; L117-Q120 PolarHBondContact O-N 2.73Å; L117-V121 HydrophobicContact CD1-CG2 4.14Å; L117-V121 HydrophobicContact CG-CG2 4.4Å; L117-V121 WeakPolarHBondContact O-CB 3.4Å; L117-V121 VanDerWaalsContact O-CG2 3.24Å; L117-V121 WeakPolarHBondContact O-CG2 3.47Å; L117-V121 PolarHBondContact O-N 2.9Å; L117-L200 HydrophobicContact CB-CD2 4.33Å; L117-L200 HydrophobicContact CD2-CD1 4.28Å; L117-L200 HydrophobicContact CD2-CD2 3.96Å; L117-L200 HydrophobicContact CG-CD2 3.74Å
118	C	96.7	Very high	93.9	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.02	14%	0.137	C	C	.	.	H	α-helix	trans	-58.4	-46.4	171.5	-66.8	0	0	0	0	111.7	R114 Y115 Q120 V121 H122 Y199 L200	R114-C118 PolarHBondContact O-N 2.8Å; R114-C118 PolarHBondContact O-SG 3.4Å; R114-C118 VanDerWaalsContact O-SG 3.34Å; Y115-C118 WeakPolarHBondContact O-CA 3.48Å; Y115-C118 VanDerWaalsContact O-CB 3.32Å; Y115-C118 WeakPolarHBondContact O-CB 3.28Å; Y115-C118 PolarHBondContact O-N 2.98Å; C118-Q120 VanDerWaalsContact C-N 3.35Å; C118-Q120 PolarHBondContact O-N 2.92Å; C118-V121 PolarHBondContact O-N 3.25Å; C118-H122 VanDerWaalsContact O-CB 3.23Å; C118-H122 WeakPolarHBondContact O-CB 3.14Å; C118-H122 PolarHBondContact O-N 3.04Å; C118-Y199 HydrophobicContact CB-CD1 4.24Å; C118-Y199 HydrophobicContact CB-CE1 4.4Å; C118-L200 VanDerWaalsContact SG-CG 3.52Å
119	L	96.1	Very high	93.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-58.9	-44.6	178.2	-65.1	-175	0	0	0	112.3	L29 D30 Y115 L116 K123 F144 F350	L29-L119 HydrophobicContact CB-CB 3.97Å; L29-L119 HydrophobicContact CB-CD1 4.01Å; D30-L119 HydrophobicContact CB-CD1 4.11Å; Y115-L119 HydrophobicContact CD1-CD1 4.4Å; Y115-L119 HydrophobicContact CD2-CD2 4.43Å; Y115-L119 HydrophobicContact CD2-CG 4.26Å; Y115-L119 HydrophobicContact CE1-CD1 3.87Å; Y115-L119 HydrophobicContact CE1-CG 4.4Å; Y115-L119 HydrophobicContact CE2-CD1 4.18Å; Y115-L119 HydrophobicContact CE2-CD2 3.64Å; Y115-L119 HydrophobicContact CE2-CG 3.85Å; Y115-L119 WeakPolarHBondContact O-CG 3.24Å; Y115-L119 PolarHBondContact O-N 3.3Å; L116-L119 HydrophobicContact CD2-CD1 4.43Å; L116-L119 PolarHBondContact O-N 2.81Å; L119-K123 WeakPolarHBondContact O-CB 2.79Å; L119-K123 PolarHBondContact O-N 2.96Å; L119-F144 HydrophobicContact CD2-CE2 3.96Å; L119-F144 HydrophobicContact CD2-CZ 3.75Å; L119-F350 HydrophobicContact CD2-CD2 3.73Å; L119-F350 HydrophobicContact CD2-CE2 4.11Å
120	Q	96.8	Very high	93.7	Very high	2 Å²	2	23 Å²	23	1%	0.009	14%	0.137	C	C	.	.	H	α-helix	trans	-63.8	-49.1	177.3	175	67.7	77.4	0	0	112.1	L29 E97 V98 Y101 L116 L117 C118 H122 K123 N124	L29-Q120 HydrophobicContact CD1-CB 4.48Å; L29-Q120 HydrophobicContact CD2-CB 3.88Å; E97-Q120 VanDerWaalsContact CB-OE1 3.31Å; V98-Q120 HydrophobicContact CB-CB 4.46Å; V98-Q120 HydrophobicContact CB-CG 3.86Å; V98-Q120 HydrophobicContact CG2-CB 3.71Å; V98-Q120 HydrophobicContact CG2-CG 3.66Å; Y101-Q120 HydrophobicContact CE1-CG 4.01Å; Y101-Q120 WeakPolarHBondContact OH-CG 3.48Å; L116-Q120 PolarHBondContact O-N 2.79Å; L116-Q120 VanDerWaalsContact O-N 3.07Å; L117-Q120 PolarHBondContact O-N 2.73Å; C118-Q120 VanDerWaalsContact C-N 3.35Å; C118-Q120 PolarHBondContact O-N 2.92Å; Q120-H122 VanDerWaalsContact C-N 3.31Å; Q120-H122 PolarHBondContact O-N 3.05Å; Q120-K123 WeakPolarHBondContact O-CB 3.33Å; Q120-K123 PolarHBondContact O-N 3.44Å; Q120-N124 PolarHBondContact NE2-OD1 3.45Å; Q120-N124 PolarHBondContact O-N 3.11Å; Q120-N124 PolarHBondContact O-OD1 3.26Å
121	V	96.6	Very high	93.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.4	-40.3	-179.3	170.2	0	0	0	0	110.6	Y101 L117 C118 N124 I125 L130 Y199 L200 A203 Y209	Y101-V121 HydrophobicContact CE1-CG2 4.21Å; L117-V121 HydrophobicContact CD1-CG2 4.14Å; L117-V121 HydrophobicContact CG-CG2 4.4Å; L117-V121 WeakPolarHBondContact O-CB 3.4Å; L117-V121 VanDerWaalsContact O-CG2 3.24Å; L117-V121 WeakPolarHBondContact O-CG2 3.47Å; L117-V121 PolarHBondContact O-N 2.9Å; C118-V121 PolarHBondContact O-N 3.25Å; V121-N124 PolarHBondContact O-N 2.92Å; V121-N124 VanDerWaalsContact O-N 3.13Å; V121-I125 HydrophobicContact CG1-CD1 3.88Å; V121-I125 WeakPolarHBondContact O-CG1 3.49Å; V121-I125 PolarHBondContact O-N 3.22Å; V121-L130 HydrophobicContact CG1-CD2 4.06Å; V121-Y199 HydrophobicContact CB-CE1 3.99Å; V121-Y199 HydrophobicContact CG1-CE1 3.64Å; V121-L200 HydrophobicContact CG2-CD2 4.46Å; V121-A203 HydrophobicContact CG1-CB 3.69Å; V121-Y209 HydrophobicContact CG2-CD2 4.47Å; V121-Y209 HydrophobicContact CG2-CE2 3.85Å
122	H	95.4	Very high	93.4	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.009	15%	0.149	C	C	.	.	H	α-helix	trans	-60.5	-48.7	174.3	-178.5	55.3	0	0	0	112.3	C118 Q120 N124 I125 V126 F144 L167 F169 Y199 F350	C118-H122 VanDerWaalsContact O-CB 3.23Å; C118-H122 WeakPolarHBondContact O-CB 3.14Å; C118-H122 PolarHBondContact O-N 3.04Å; Q120-H122 VanDerWaalsContact C-N 3.31Å; Q120-H122 PolarHBondContact O-N 3.05Å; H122-N124 PolarHBondContact O-N 2.98Å; H122-I125 PolarHBondContact O-N 2.98Å; H122-V126 WeakPolarHBondContact CE1-CG2 3.35Å; H122-V126 WeakPolarHBondContact O-CB 3.35Å; H122-V126 WeakPolarHBondContact O-CG2 3.18Å; H122-V126 PolarHBondContact O-N 3.08Å; H122-F144 HydrophobicContact CB-CD2 4.04Å; H122-F144 HydrophobicContact CB-CE1 4.48Å; H122-F144 HydrophobicContact CB-CE2 3.71Å; H122-F144 HydrophobicContact CB-CZ 3.96Å; H122-F144 AromaticContact CD2-CD1 3.85Å; H122-F144 AromaticContact CD2-CE1 3.27Å; H122-F144 WeakPolarHBondContact CD2-CE1 3.32Å; H122-F144 AromaticContact CD2-CZ 3.39Å; H122-F144 WeakPolarHBondContact CD2-CZ 3.44Å; H122-F144 AromaticContact CE1-CD1 3.96Å; H122-F144 AromaticContact CG-CD1 3.95Å; H122-F144 AromaticContact CG-CE1 3.73Å; H122-F144 AromaticContact CG-CE2 3.85Å; H122-F144 AromaticContact CG-CZ 3.68Å; H122-F144 AromaticContact NE2-CD1 3.84Å; H122-F144 AromaticContact NE2-CE1 3.53Å; H122-L167 PolarHBondContact NE2-O 3.29Å; H122-F169 AromaticContact CE1-CE1 3.54Å; H122-F169 AromaticContact CE1-CE2 3.81Å; H122-F169 AromaticContact CE1-CZ 3.25Å; H122-F169 WeakPolarHBondContact CE1-CZ 3.26Å; H122-F169 AromaticContact ND1-CZ 3.91Å; H122-Y199 WeakPolarHBondContact CA-OH 3.38Å; H122-Y199 WeakPolarHBondContact CB-OH 3.42Å; H122-Y199 PolarHBondContact N-OH 2.84Å; H122-Y199 VanDerWaalsContact N-OH 3.15Å; H122-F350 AromaticContact CD2-CZ 3.77Å
123	K	93.7	Very high	93.3	Very high	65 Å²	65	25.6 Å²	25.6	28%	0.283	16%	0.16	S	C	.	.	H	α-helix	trans	-53.8	-40.4	171.7	177	-167.8	179.6	-170.2	0	111.7	E97 L119 Q120 S127	E97-K123 IonicContact OE1-NZ 2.75Å; E97-K123 PolarHBondContact OE1-NZ 3.02Å; L119-K123 WeakPolarHBondContact O-CB 2.79Å; L119-K123 PolarHBondContact O-N 2.96Å; Q120-K123 WeakPolarHBondContact O-CB 3.33Å; Q120-K123 PolarHBondContact O-N 3.44Å; K123-S127 VanDerWaalsContact O-CB 3.3Å; K123-S127 WeakPolarHBondContact O-CB 3.43Å; K123-S127 PolarHBondContact O-N 2.75Å; K123-S127 VanDerWaalsContact O-N 3.13Å; K123-S127 PolarHBondContact O-OG 2.99Å
124	N	93.6	Very high	93	Very high	23 Å²	23	26.3 Å²	26.3	12%	0.123	16%	0.163	C	C	.	.	H	α-helix	trans	-71.9	-37.8	178.9	-68	124.1	0	0	0	113.8	Y101 Q120 V121 H122 S127 G128 V129 L130	Y101-N124 PolarHBondContact OH-OD1 3.23Å; Q120-N124 PolarHBondContact NE2-OD1 3.45Å; Q120-N124 PolarHBondContact O-N 3.11Å; Q120-N124 PolarHBondContact O-OD1 3.26Å; V121-N124 PolarHBondContact O-N 2.92Å; V121-N124 VanDerWaalsContact O-N 3.13Å; H122-N124 PolarHBondContact O-N 2.98Å; N124-S127 PolarHBondContact O-OG 3.05Å; N124-G128 PolarHBondContact O-N 3.04Å; N124-V129 HydrophobicContact CB-CB 4.34Å; N124-V129 HydrophobicContact CB-CG1 4.45Å; N124-V129 PolarHBondContact O-N 2.75Å; N124-L130 HydrophobicContact CB-CB 3.81Å; N124-L130 PolarHBondContact O-N 2.85Å
125	I	93.4	Very high	92.8	Very high	12 Å²	12	30.8 Å²	30.8	6%	0.062	18%	0.181	C	C	.	.	H	α-helix	trans	-68.3	-49.4	177.2	-71.3	167.5	0	0	0	110.5	V121 H122 S127 G128 L130 Y137 L140 L206	V121-I125 HydrophobicContact CG1-CD1 3.88Å; V121-I125 WeakPolarHBondContact O-CG1 3.49Å; V121-I125 PolarHBondContact O-N 3.22Å; H122-I125 PolarHBondContact O-N 2.98Å; I125-S127 VanDerWaalsContact C-N 3.3Å; I125-S127 PolarHBondContact O-N 3.31Å; I125-G128 PolarHBondContact O-N 3.21Å; I125-G128 VanDerWaalsContact O-N 3.11Å; I125-L130 HydrophobicContact CD1-CD2 4.36Å; I125-L130 HydrophobicContact CG1-CB 4.02Å; I125-L130 HydrophobicContact CG1-CD2 3.98Å; I125-L130 HydrophobicContact CG1-CG 3.95Å; I125-Y137 HydrophobicContact CG2-CD2 3.47Å; I125-Y137 VanDerWaalsContact CG2-CD2 3.47Å; I125-Y137 HydrophobicContact CG2-CE2 3.62Å; I125-Y137 HydrophobicContact CG2-CG 4.49Å; I125-L140 HydrophobicContact CD1-CD1 3.52Å; I125-L206 HydrophobicContact CD1-CD1 4.24Å
126	V	90.5	Very high	92.7	Very high	40 Å²	40	32 Å²	32	24%	0.242	19%	0.188	C	C	.	.	H	α-helix	trans	-60.8	-37.8	177.9	167.2	0	0	0	0	112.3	H122 G128 Q168	H122-V126 WeakPolarHBondContact CE1-CG2 3.35Å; H122-V126 WeakPolarHBondContact O-CB 3.35Å; H122-V126 WeakPolarHBondContact O-CG2 3.18Å; H122-V126 PolarHBondContact O-N 3.08Å; V126-G128 VanDerWaalsContact C-N 3.26Å; V126-G128 PolarHBondContact O-N 3.06Å; V126-Q168 HydrophobicContact CG1-CB 3.75Å; V126-Q168 WeakPolarHBondContact CG1-O 3.43Å; V126-Q168 HydrophobicContact CG2-CB 4.49Å
127	S	88.4	Confident	92.5	Very high	71 Å²	71	33 Å²	33	50%	0.497	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	7.5	178.2	61.1	0	0	0	0	114.7	K123 N124 I125 V129	K123-S127 VanDerWaalsContact O-CB 3.3Å; K123-S127 WeakPolarHBondContact O-CB 3.43Å; K123-S127 PolarHBondContact O-N 2.75Å; K123-S127 VanDerWaalsContact O-N 3.13Å; K123-S127 PolarHBondContact O-OG 2.99Å; N124-S127 PolarHBondContact O-OG 3.05Å; I125-S127 VanDerWaalsContact C-N 3.3Å; I125-S127 PolarHBondContact O-N 3.31Å; S127-V129 PolarHBondContact O-N 2.71Å; S127-V129 VanDerWaalsContact O-N 3.12Å
128	G	87.3	Confident	92.3	Very high	49 Å²	49	32.9 Å²	32.9	51%	0.505	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	68	5.3	-179.7	0	0	0	0	0	115.1	N124 I125 V126	N124-G128 PolarHBondContact O-N 3.04Å; I125-G128 PolarHBondContact O-N 3.21Å; I125-G128 VanDerWaalsContact O-N 3.11Å; V126-G128 VanDerWaalsContact C-N 3.26Å; V126-G128 PolarHBondContact O-N 3.06Å
129	V	88.6	Confident	92.2	Very high	79 Å²	79	33.7 Å²	33.7	48%	0.479	20%	0.196	S	C	.	.	S	Bend	trans	-73.9	-30.2	178.1	170.9	0	0	0	0	111.6	N124 S127 P131	N124-V129 HydrophobicContact CB-CB 4.34Å; N124-V129 HydrophobicContact CB-CG1 4.45Å; N124-V129 PolarHBondContact O-N 2.75Å; S127-V129 PolarHBondContact O-N 2.71Å; S127-V129 VanDerWaalsContact O-N 3.12Å; V129-P131 WeakPolarHBondContact O-CD 3.49Å
130	L	90.8	Very high	92.2	Very high	8 Å²	8	33.8 Å²	33.8	4%	0.042	20%	0.196	C	C	.	.	S	Bend	trans	-115.3	87.1	172.2	179.8	51.9	0	0	0	108.9	V121 N124 I125 L206 L208 Y209	V121-L130 HydrophobicContact CG1-CD2 4.06Å; N124-L130 HydrophobicContact CB-CB 3.81Å; N124-L130 PolarHBondContact O-N 2.85Å; I125-L130 HydrophobicContact CD1-CD2 4.36Å; I125-L130 HydrophobicContact CG1-CB 4.02Å; I125-L130 HydrophobicContact CG1-CD2 3.98Å; I125-L130 HydrophobicContact CG1-CG 3.95Å; L130-L206 HydrophobicContact CD1-CB 3.82Å; L130-L206 HydrophobicContact CD1-CD1 4.11Å; L130-L206 HydrophobicContact CD2-CD1 4.01Å; L130-L206 HydrophobicContact CG-CB 4.47Å; L130-L206 HydrophobicContact CG-CD1 3.83Å; L130-L208 VanDerWaalsContact CD1-C 3.47Å; L130-L208 HydrophobicContact CD1-CB 4.02Å; L130-Y209 HydrophobicContact CD2-CD2 4.46Å
131	P	89.8	Confident	92	Very high	60 Å²	60	33.7 Å²	33.7	39%	0.39	20%	0.196	S	C	.	.			trans	-65.8	145.2	-179	27	-34.7	0	0	0	111.6	V129 L208	V129-P131 WeakPolarHBondContact O-CD 3.49Å; P131-L208 HydrophobicContact CG-CD1 4.02Å
132	C	89.8	Confident	91.9	Very high	31 Å²	31	33.7 Å²	33.7	21%	0.209	20%	0.196	C	C	.	.			trans	-151.6	163	176.8	63.4	0	0	0	0	110.7	T136 L206	C132-T136 HydrophobicContact CB-CG2 4.17Å; C132-L206 HydrophobicContact CB-CD1 3.9Å; C132-L206 HydrophobicContact CB-CD2 3.48Å; C132-L206 VanDerWaalsContact CB-CD2 3.48Å; C132-L206 HydrophobicContact CB-CG 4.37Å
133	S	90.8	Very high	91.9	Very high	40 Å²	40	34.7 Å²	34.7	28%	0.28	20%	0.2	S	C	.	.			trans	-68.4	155.8	174.6	62.3	0	0	0	0	112	Y135 T136 Y137 Q498	S133-Y135 VanDerWaalsContact C-N 3.28Å; S133-Y135 PolarHBondContact O-N 3.34Å; S133-T136 CarbonylContact O-C 3.46Å; S133-T136 WeakPolarHBondContact O-CA 3.36Å; S133-T136 PolarHBondContact O-N 2.79Å; S133-T136 WeakPolarHBondContact OG-CB 3.37Å; S133-T136 PolarHBondContact OG-N 3.35Å; S133-T136 PolarHBondContact OG-OG1 2.9Å; S133-Y137 WeakPolarHBondContact O-CB 3.17Å; S133-Y137 PolarHBondContact O-N 3.42Å; S133-Q498 CarbonylContact C-O 3.56Å; S133-Q498 VanDerWaalsContact CA-O 3.24Å; S133-Q498 WeakPolarHBondContact CA-O 3.16Å; S133-Q498 VanDerWaalsContact CB-O 3.28Å; S133-Q498 WeakPolarHBondContact CB-O 3.44Å
134	F	89.6	Confident	91.9	Very high	17 Å²	17	31.8 Å²	31.8	8%	0.075	19%	0.187	C	C	.	.	H	α-helix	trans	-49.1	-47.7	175.4	175.5	-95.2	0	0	0	112.1	T136 Y137 C138 E175 L176 T179 Q498 F500	F134-T136 VanDerWaalsContact C-N 3.35Å; F134-T136 PolarHBondContact O-N 3.28Å; F134-Y137 WeakPolarHBondContact O-CB 3.35Å; F134-Y137 PolarHBondContact O-N 3.47Å; F134-C138 PolarHBondContact O-N 2.91Å; F134-C138 PolarHBondContact O-SG 2.97Å; F134-E175 HydrophobicContact CE1-CG 4.37Å; F134-E175 HydrophobicContact CZ-CB 4.36Å; F134-E175 HydrophobicContact CZ-CG 3.9Å; F134-L176 HydrophobicContact CD2-CD1 4.4Å; F134-L176 HydrophobicContact CE2-CB 4.13Å; F134-L176 HydrophobicContact CE2-CD1 3.85Å; F134-L176 HydrophobicContact CZ-CD1 4.46Å; F134-T179 HydrophobicContact CE1-CG2 4.25Å; F134-Q498 HydrophobicContact CB-CB 4.43Å; F134-Q498 PolarHBondContact N-O 2.92Å; F134-F500 HydrophobicContact CB-CD1 3.68Å; F134-F500 HydrophobicContact CB-CE1 4.11Å; F134-F500 HydrophobicContact CB-CG 4.35Å; F134-F500 AromaticContact CD2-CD1 3.79Å; F134-F500 HydrophobicContact CD2-CD1 3.79Å; F134-F500 HydrophobicContact CD2-CD2 4.24Å; F134-F500 AromaticContact CD2-CE1 3.77Å; F134-F500 HydrophobicContact CD2-CE1 3.77Å; F134-F500 HydrophobicContact CD2-CE2 4.21Å; F134-F500 HydrophobicContact CD2-CG 4.03Å; F134-F500 AromaticContact CD2-CZ 3.98Å; F134-F500 HydrophobicContact CD2-CZ 3.98Å; F134-F500 HydrophobicContact CG-CD1 4.24Å; F134-F500 HydrophobicContact CG-CE1 4.43Å
135	Y	92.3	Very high	91.8	Very high	136 Å²	136	30.7 Å²	30.7	53%	0.533	18%	0.181	S	C	.	.	H	α-helix	trans	-60.5	-42.9	176.8	-176.4	-86.9	0	0	0	112	S133 C138 L139 M183	S133-Y135 VanDerWaalsContact C-N 3.28Å; S133-Y135 PolarHBondContact O-N 3.34Å; Y135-C138 PolarHBondContact O-N 3.48Å; Y135-L139 HydrophobicContact CE1-CD2 4.26Å; Y135-L139 VanDerWaalsContact O-CB 3.27Å; Y135-L139 WeakPolarHBondContact O-CB 3.3Å; Y135-L139 PolarHBondContact O-N 3.22Å; Y135-M183 HydrophobicContact CD2-CE 3.54Å; Y135-M183 HydrophobicContact CE1-CE 4.28Å; Y135-M183 HydrophobicContact CE2-CE 3.23Å; Y135-M183 HydrophobicContact CG-CE 4.19Å
136	T	93.1	Very high	91.7	Very high	30 Å²	30	30.1 Å²	30.1	18%	0.184	18%	0.179	C	C	.	.	H	α-helix	trans	-69.7	-36.6	178.7	-51	0	0	0	0	111.7	C132 S133 F134 L139 L140 L206	C132-T136 HydrophobicContact CB-CG2 4.17Å; S133-T136 CarbonylContact O-C 3.46Å; S133-T136 WeakPolarHBondContact O-CA 3.36Å; S133-T136 PolarHBondContact O-N 2.79Å; S133-T136 WeakPolarHBondContact OG-CB 3.37Å; S133-T136 PolarHBondContact OG-N 3.35Å; S133-T136 PolarHBondContact OG-OG1 2.9Å; F134-T136 VanDerWaalsContact C-N 3.35Å; F134-T136 PolarHBondContact O-N 3.28Å; T136-L139 PolarHBondContact O-N 3.1Å; T136-L140 HydrophobicContact CG2-CD1 3.87Å; T136-L140 HydrophobicContact CG2-CG 4.2Å; T136-L140 WeakPolarHBondContact O-CB 3.45Å; T136-L140 VanDerWaalsContact O-CG 3.29Å; T136-L140 WeakPolarHBondContact O-CG 3.48Å; T136-L140 PolarHBondContact O-N 2.88Å; T136-L206 HydrophobicContact CG2-CD2 4.04Å
137	Y	91.8	Very high	91.8	Very high	23 Å²	23	28.4 Å²	28.4	9%	0.09	17%	0.169	C	C	.	.	H	α-helix	trans	-61.8	-45.6	173.7	-170.8	-81.4	0	0	0	110.6	I125 S133 F134 G141 F169 P170 L176	I125-Y137 HydrophobicContact CG2-CD2 3.47Å; I125-Y137 VanDerWaalsContact CG2-CD2 3.47Å; I125-Y137 HydrophobicContact CG2-CE2 3.62Å; I125-Y137 HydrophobicContact CG2-CG 4.49Å; S133-Y137 WeakPolarHBondContact O-CB 3.17Å; S133-Y137 PolarHBondContact O-N 3.42Å; F134-Y137 WeakPolarHBondContact O-CB 3.35Å; F134-Y137 PolarHBondContact O-N 3.47Å; Y137-G141 PolarHBondContact O-N 2.75Å; Y137-F169 AromaticContact CE1-CD1 3.71Å; Y137-F169 HydrophobicContact CE1-CD1 3.71Å; Y137-F169 HydrophobicContact CE1-CE1 4.33Å; Y137-F169 AromaticContact CZ-CD1 3.96Å; Y137-P170 WeakPolarHBondContact OH-CD 3.42Å; Y137-L176 HydrophobicContact CD1-CD1 3.62Å; Y137-L176 HydrophobicContact CE1-CD1 3.84Å; Y137-L176 HydrophobicContact CE1-CD2 4.16Å
138	C	92.7	Very high	91.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.8	-44.7	174.4	-64.3	0	0	0	0	112.4	F134 Y135 G141 S142 L176 T179 V180 M183	F134-C138 PolarHBondContact O-N 2.91Å; F134-C138 PolarHBondContact O-SG 2.97Å; Y135-C138 PolarHBondContact O-N 3.48Å; C138-G141 PolarHBondContact O-N 3.41Å; C138-S142 PolarHBondContact O-N 2.83Å; C138-L176 VanDerWaalsContact SG-CD1 3.55Å; C138-T179 HydrophobicContact CB-CG2 3.71Å; C138-V180 HydrophobicContact CB-CG2 3.99Å; C138-M183 VanDerWaalsContact C-SD 3.54Å; C138-M183 HydrophobicContact CB-CE 4.12Å; C138-M183 HydrophobicContact CB-SD 3.6Å
139	L	95.2	Very high	91.6	Very high	19 Å²	19	24.6 Å²	24.6	10%	0.099	13%	0.131	C	C	.	.	H	α-helix	trans	-61.8	-51.2	-179.4	177.8	63.9	0	0	0	111.1	Y135 T136 G141 S142 Y143 M183	Y135-L139 HydrophobicContact CE1-CD2 4.26Å; Y135-L139 VanDerWaalsContact O-CB 3.27Å; Y135-L139 WeakPolarHBondContact O-CB 3.3Å; Y135-L139 PolarHBondContact O-N 3.22Å; T136-L139 PolarHBondContact O-N 3.1Å; L139-G141 VanDerWaalsContact C-N 3.3Å; L139-G141 PolarHBondContact O-N 2.9Å; L139-S142 PolarHBondContact O-N 3.45Å; L139-S142 PolarHBondContact O-OG 2.89Å; L139-Y143 HydrophobicContact CD1-CD2 4.22Å; L139-Y143 HydrophobicContact CD1-CE2 3.55Å; L139-Y143 HydrophobicContact CG-CD2 4.23Å; L139-Y143 HydrophobicContact CG-CE2 3.8Å; L139-Y143 WeakPolarHBondContact O-CD2 3.3Å; L139-Y143 PolarHBondContact O-N 2.96Å; L139-M183 VanDerWaalsContact CA-SD 3.58Å; L139-M183 HydrophobicContact CB-SD 4.13Å; L139-M183 PolarHBondContact N-SD 3.47Å; L139-M183 VanDerWaalsContact N-SD 3.4Å
140	L	95.5	Very high	91.6	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.01	12%	0.116	C	C	.	.	H	α-helix	trans	-63.9	-37.4	175.3	-67.6	177	0	0	0	111.1	I125 T136 Y143 F144 Y199 N202 A203 L206	I125-L140 HydrophobicContact CD1-CD1 3.52Å; T136-L140 HydrophobicContact CG2-CD1 3.87Å; T136-L140 HydrophobicContact CG2-CG 4.2Å; T136-L140 WeakPolarHBondContact O-CB 3.45Å; T136-L140 VanDerWaalsContact O-CG 3.29Å; T136-L140 WeakPolarHBondContact O-CG 3.48Å; T136-L140 PolarHBondContact O-N 2.88Å; L140-Y143 PolarHBondContact O-N 3.4Å; L140-F144 WeakPolarHBondContact O-CB 3.5Å; L140-F144 PolarHBondContact O-N 3Å; L140-Y199 HydrophobicContact CB-CD2 4.04Å; L140-Y199 HydrophobicContact CB-CE2 3.68Å; L140-Y199 HydrophobicContact CD2-CD2 3.92Å; L140-Y199 HydrophobicContact CD2-CE2 4.17Å; L140-Y199 HydrophobicContact CD2-CG 4.08Å; L140-Y199 WeakPolarHBondContact CD2-O 3.31Å; L140-Y199 HydrophobicContact CG-CE2 4.45Å; L140-Y199 WeakPolarHBondContact O-CD2 3.14Å; L140-Y199 VanDerWaalsContact O-CE2 3.24Å; L140-Y199 WeakPolarHBondContact O-CE2 3.48Å; L140-N202 HydrophobicContact CD2-CB 3.85Å; L140-A203 HydrophobicContact CD1-CB 4.04Å; L140-A203 HydrophobicContact CD2-CB 4.11Å; L140-L206 HydrophobicContact CD1-CD1 4.21Å
141	G	93.3	Very high	91.4	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.01	13%	0.13	C	C	.	.	H	α-helix	trans	-56.7	-49.6	172.5	0	0	0	0	0	113.1	Y137 C138 L139 Y143 F144 I145 F169	Y137-G141 PolarHBondContact O-N 2.75Å; C138-G141 PolarHBondContact O-N 3.41Å; L139-G141 VanDerWaalsContact C-N 3.3Å; L139-G141 PolarHBondContact O-N 2.9Å; G141-Y143 PolarHBondContact O-N 3.09Å; G141-F144 PolarHBondContact O-N 3.28Å; G141-I145 WeakPolarHBondContact O-CB 3.3Å; G141-I145 WeakPolarHBondContact O-CD1 3.34Å; G141-I145 VanDerWaalsContact O-CG1 3.25Å; G141-I145 WeakPolarHBondContact O-CG1 3.3Å; G141-I145 PolarHBondContact O-N 2.97Å; G141-F169 VanDerWaalsContact CA-CZ 3.49Å
142	S	93.8	Very high	90.7	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.6	-40.2	178.7	70.5	0	0	0	0	113.4	C138 L139 Q146	C138-S142 PolarHBondContact O-N 2.83Å; L139-S142 PolarHBondContact O-N 3.45Å; L139-S142 PolarHBondContact O-OG 2.89Å; S142-Q146 WeakPolarHBondContact O-CB 3.06Å; S142-Q146 PolarHBondContact O-N 3Å
143	Y	95.6	Very high	90.1	Very high	23 Å²	23	25 Å²	25	9%	0.09	13%	0.127	C	C	.	.	H	α-helix	trans	-66.8	-39.3	173.6	-71.6	-60.1	0	0	0	112.4	L139 L140 G141 Q146 A147 R187 N198	L139-Y143 HydrophobicContact CD1-CD2 4.22Å; L139-Y143 HydrophobicContact CD1-CE2 3.55Å; L139-Y143 HydrophobicContact CG-CD2 4.23Å; L139-Y143 HydrophobicContact CG-CE2 3.8Å; L139-Y143 WeakPolarHBondContact O-CD2 3.3Å; L139-Y143 PolarHBondContact O-N 2.96Å; L140-Y143 PolarHBondContact O-N 3.4Å; G141-Y143 PolarHBondContact O-N 3.09Å; Y143-Q146 PolarHBondContact O-N 3.28Å; Y143-A147 WeakPolarHBondContact O-CB 3.43Å; Y143-A147 PolarHBondContact O-N 3.38Å; Y143-R187 HydrophobicContact CD1-CG 4.26Å; Y143-R187 HydrophobicContact CE1-CG 4.44Å; Y143-R187 PolarHBondContact OH-NH1 2.94Å; Y143-R187 VanDerWaalsContact OH-NH1 3.1Å; Y143-N198 HydrophobicContact CD1-CB 3.75Å; Y143-N198 HydrophobicContact CE1-CB 3.37Å; Y143-N198 HydrophobicContact CE2-CB 4.22Å; Y143-N198 HydrophobicContact CG-CB 4.33Å
144	F	93.5	Very high	89.1	Confident	3 Å²	3	27.4 Å²	27.4	1%	0.013	14%	0.144	C	C	.	.	H	α-helix	trans	-66.7	-40.4	177.8	-164.6	-105.2	0	0	0	111.5	L119 H122 L140 G141 A147 Q148 L167 F169 Y199 F350	L119-F144 HydrophobicContact CD2-CE2 3.96Å; L119-F144 HydrophobicContact CD2-CZ 3.75Å; H122-F144 HydrophobicContact CB-CD2 4.04Å; H122-F144 HydrophobicContact CB-CE1 4.48Å; H122-F144 HydrophobicContact CB-CE2 3.71Å; H122-F144 HydrophobicContact CB-CZ 3.96Å; H122-F144 AromaticContact CD2-CD1 3.85Å; H122-F144 AromaticContact CD2-CE1 3.27Å; H122-F144 WeakPolarHBondContact CD2-CE1 3.32Å; H122-F144 AromaticContact CD2-CZ 3.39Å; H122-F144 WeakPolarHBondContact CD2-CZ 3.44Å; H122-F144 AromaticContact CE1-CD1 3.96Å; H122-F144 AromaticContact CG-CD1 3.95Å; H122-F144 AromaticContact CG-CE1 3.73Å; H122-F144 AromaticContact CG-CE2 3.85Å; H122-F144 AromaticContact CG-CZ 3.68Å; H122-F144 AromaticContact NE2-CD1 3.84Å; H122-F144 AromaticContact NE2-CE1 3.53Å; L140-F144 WeakPolarHBondContact O-CB 3.5Å; L140-F144 PolarHBondContact O-N 3Å; G141-F144 PolarHBondContact O-N 3.28Å; F144-A147 PolarHBondContact O-N 2.93Å; F144-Q148 HydrophobicContact CD1-CG 4.45Å; F144-Q148 HydrophobicContact CE1-CG 4.19Å; F144-Q148 HydrophobicContact CZ-CG 4.45Å; F144-Q148 PolarHBondContact O-N 3.13Å; F144-L167 HydrophobicContact CD1-CD2 4.15Å; F144-L167 HydrophobicContact CE1-CD2 3.75Å; F144-F169 HydrophobicContact CB-CZ 4.38Å; F144-F169 HydrophobicContact CD1-CE2 4.31Å; F144-F169 HydrophobicContact CD1-CZ 4.26Å; F144-Y199 HydrophobicContact CB-CD2 4.12Å; F144-Y199 HydrophobicContact CB-CE2 3.89Å; F144-Y199 HydrophobicContact CD2-CE2 4.16Å; F144-Y199 HydrophobicContact CG-CE2 4.41Å; F144-F350 HydrophobicContact CE1-CD2 4.39Å; F144-F350 HydrophobicContact CE1-CG 4.47Å; F144-F350 HydrophobicContact CZ-CD2 4.03Å; F144-F350 HydrophobicContact CZ-CE2 4.12Å
145	I	90.9	Very high	88.1	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64.1	-48.3	174.8	-68.4	163	0	0	0	110.3	G141 A147 Q148 L149 L160 M164 L167 F169 V180 Y184	G141-I145 WeakPolarHBondContact O-CB 3.3Å; G141-I145 WeakPolarHBondContact O-CD1 3.34Å; G141-I145 VanDerWaalsContact O-CG1 3.25Å; G141-I145 WeakPolarHBondContact O-CG1 3.3Å; G141-I145 PolarHBondContact O-N 2.97Å; I145-A147 PolarHBondContact O-N 3.18Å; I145-Q148 PolarHBondContact O-N 2.83Å; I145-L149 HydrophobicContact CG2-CB 4.46Å; I145-L149 HydrophobicContact CG2-CD1 3.95Å; I145-L149 HydrophobicContact CG2-CG 4.34Å; I145-L149 WeakPolarHBondContact O-CA 3.42Å; I145-L149 WeakPolarHBondContact O-CB 3.13Å; I145-L149 PolarHBondContact O-N 3.28Å; I145-L160 HydrophobicContact CD1-CD1 4.35Å; I145-L160 HydrophobicContact CG2-CD1 4.15Å; I145-M164 HydrophobicContact CD1-CG 4.09Å; I145-L167 HydrophobicContact CG1-CD1 3.73Å; I145-F169 HydrophobicContact CD1-CD2 4.47Å; I145-F169 HydrophobicContact CD1-CE2 4.12Å; I145-F169 HydrophobicContact CG1-CE2 4.03Å; I145-V180 HydrophobicContact CD1-CG1 3.36Å; I145-Y184 HydrophobicContact CG2-CD1 3.78Å; I145-Y184 HydrophobicContact CG2-CD2 3.95Å; I145-Y184 HydrophobicContact CG2-CE1 3.65Å; I145-Y184 HydrophobicContact CG2-CE2 3.83Å; I145-Y184 HydrophobicContact CG2-CG 3.94Å
146	Q	92.4	Very high	86.9	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-58	-35.6	173	-179	76.3	28.2	0	0	112.1	S142 Y143 G150 D151 Y184 R187 Q190 A195	S142-Q146 WeakPolarHBondContact O-CB 3.06Å; S142-Q146 PolarHBondContact O-N 3Å; Y143-Q146 PolarHBondContact O-N 3.28Å; Q146-G150 VanDerWaalsContact CD-O 3.23Å; Q146-G150 PolarHBondContact NE2-O 2.61Å; Q146-G150 WeakPolarHBondContact O-CA 3.5Å; Q146-G150 PolarHBondContact O-N 2.77Å; Q146-G150 PolarHBondContact OE1-O 2.92Å; Q146-G150 VanDerWaalsContact OE1-O 3.1Å; Q146-D151 PolarHBondContact NE2-OD1 2.85Å; Q146-Y184 HydrophobicContact CB-CD2 4.24Å; Q146-Y184 HydrophobicContact CB-CE2 4.19Å; Q146-R187 HydrophobicContact CB-CB 4.04Å; Q146-R187 HydrophobicContact CB-CG 4.49Å; Q146-R187 HydrophobicContact CG-CB 3.92Å; Q146-Q190 HydrophobicContact CG-CB 4.23Å; Q146-Q190 PolarHBondContact NE2-O 2.81Å; Q146-A195 HydrophobicContact CB-CB 4.12Å; Q146-A195 HydrophobicContact CG-CB 3.9Å
147	A	91.8	Very high	85.5	Confident	5 Å²	5	29.5 Å²	29.5	4%	0.041	16%	0.16	C	C	.	.	H	α-helix	trans	-70.7	-34.4	178	0	0	0	0	0	113.9	Y143 F144 I145 A195 E196	Y143-A147 WeakPolarHBondContact O-CB 3.43Å; Y143-A147 PolarHBondContact O-N 3.38Å; F144-A147 PolarHBondContact O-N 2.93Å; I145-A147 PolarHBondContact O-N 3.18Å; A147-A195 HydrophobicContact CB-CB 4.09Å; A147-E196 HydrophobicContact CB-CG 3.93Å
148	Q	87.9	Confident	84.3	Confident	17 Å²	17	36 Å²	36	8%	0.079	19%	0.192	C	C	.	.	H	α-helix	trans	-91.2	-36	178.4	-57.3	-44.1	-90.9	0	0	112.8	Y115 F144 I145 L167	Y115-Q148 PolarHBondContact OH-OE1 3.36Å; F144-Q148 HydrophobicContact CD1-CG 4.45Å; F144-Q148 HydrophobicContact CE1-CG 4.19Å; F144-Q148 HydrophobicContact CZ-CG 4.45Å; F144-Q148 PolarHBondContact O-N 3.13Å; I145-Q148 PolarHBondContact O-N 2.83Å; Q148-L167 HydrophobicContact CB-CD2 4.26Å; Q148-L167 HydrophobicContact CG-CD2 3.87Å
149	L	84.8	Confident	83.4	Confident	23 Å²	23	38.1 Å²	38.1	12%	0.12	21%	0.206	C	C	.	.	H	α-helix	trans	-109.5	4.2	-172.7	-52.4	-171.8	0	0	0	113.9	I145 C163 K355	I145-L149 HydrophobicContact CG2-CB 4.46Å; I145-L149 HydrophobicContact CG2-CD1 3.95Å; I145-L149 HydrophobicContact CG2-CG 4.34Å; I145-L149 WeakPolarHBondContact O-CA 3.42Å; I145-L149 WeakPolarHBondContact O-CB 3.13Å; I145-L149 PolarHBondContact O-N 3.28Å; L149-C163 HydrophobicContact CD1-CB 3.79Å; L149-K355 WeakPolarHBondContact O-CE 3.33Å; L149-K355 PolarHBondContact O-NZ 3.01Å
150	G	87.2	Confident	82.6	Confident	17 Å²	17	37.2 Å²	37.2	18%	0.175	20%	0.202	C	C	.	.			trans	58.6	-147.4	178.9	0	0	0	0	0	112.4	Q146 Y184	Q146-G150 VanDerWaalsContact CD-O 3.23Å; Q146-G150 PolarHBondContact NE2-O 2.61Å; Q146-G150 WeakPolarHBondContact O-CA 3.5Å; Q146-G150 PolarHBondContact O-N 2.77Å; Q146-G150 PolarHBondContact OE1-O 2.92Å; Q146-G150 VanDerWaalsContact OE1-O 3.1Å; G150-Y184 WeakPolarHBondContact O-CE2 3.49Å; G150-Y184 PolarHBondContact O-OH 3.3Å
151	D	87.2	Confident	81.7	Confident	62 Å²	62	39 Å²	39	33%	0.332	21%	0.213	S	C	.	.	S	Bend	trans	-66.8	144.3	178	-88.1	10.4	0	0	0	113.9	Q146 D153 K188 G189	Q146-D151 PolarHBondContact NE2-OD1 2.85Å; D151-D153 PolarHBondContact O-N 3.09Å; D151-K188 HydrophobicContact CB-CG 4.36Å; D151-K188 VanDerWaalsContact OD2-CG 3.3Å; D151-K188 WeakPolarHBondContact OD2-CG 3.46Å; D151-G189 PolarHBondContact OD1-N 3.42Å; D151-G189 PolarHBondContact OD2-N 2.97Å
152	F	76.1	Confident	80.9	Confident	35 Å²	35	44.1 Å²	44.1	15%	0.154	24%	0.24	C	C	.	.			trans	-60.3	126.9	170.1	179.8	-86.5	0	0	0	112.8	L157 R181 Y184 E185	F152-L157 HydrophobicContact CE2-CB 3.93Å; F152-L157 HydrophobicContact CE2-CD1 3.95Å; F152-L157 HydrophobicContact CE2-CG 4.42Å; F152-L157 HydrophobicContact CZ-CB 3.81Å; F152-L157 HydrophobicContact CZ-CD1 3.96Å; F152-L157 HydrophobicContact CZ-CD2 4.08Å; F152-L157 HydrophobicContact CZ-CG 4.15Å; F152-R181 HydrophobicContact CE2-CG 4.49Å; F152-Y184 HydrophobicContact CB-CE1 4.24Å; F152-Y184 HydrophobicContact CB-CE2 4.45Å; F152-Y184 AromaticContact CD2-CD1 3.81Å; F152-Y184 HydrophobicContact CD2-CD1 3.81Å; F152-Y184 AromaticContact CD2-CE1 3.79Å; F152-Y184 HydrophobicContact CD2-CE1 3.79Å; F152-E185 HydrophobicContact CD1-CG 3.95Å; F152-E185 HydrophobicContact CD2-CG 3.58Å; F152-E185 HydrophobicContact CE1-CG 3.82Å; F152-E185 HydrophobicContact CE2-CG 3.43Å; F152-E185 VanDerWaalsContact CE2-CG 3.43Å; F152-E185 WeakPolarHBondContact CE2-OE1 3.41Å; F152-E185 HydrophobicContact CG-CG 3.82Å; F152-E185 HydrophobicContact CZ-CG 3.54Å; F152-E185 WeakPolarHBondContact CZ-OE1 3.23Å
153	D	76.7	Confident	80.1	Confident	72 Å²	72	44.7 Å²	44.7	39%	0.385	25%	0.245	S	C	.	.			trans	-133.5	168.2	169	74.7	55	0	0	0	111.8	D151 Q155 A156 L157	D151-D153 PolarHBondContact O-N 3.09Å; D153-Q155 PolarHBondContact O-N 3.01Å; D153-Q155 WeakPolarHBondContact OD1-CA 3.3Å; D153-Q155 WeakPolarHBondContact OD1-CB 3.25Å; D153-Q155 PolarHBondContact OD1-N 3.16Å; D153-A156 WeakPolarHBondContact O-CB 3.35Å; D153-A156 PolarHBondContact O-N 3.21Å; D153-A156 PolarHBondContact OD1-N 2.84Å; D153-L157 PolarHBondContact O-N 2.81Å
154	S	68.8	Low	79.5	Confident	91 Å²	91	43.6 Å²	43.6	64%	0.636	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-16.2	-174.6	-49.5	0	0	0	0	115
155	Q	69.8	Low	78.9	Confident	155 Å²	155	47 Å²	47	72%	0.724	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-43.4	171.3	-58.8	-174.5	-2.4	0	0	110	D153 L157 Q158 S159	D153-Q155 PolarHBondContact O-N 3.01Å; D153-Q155 WeakPolarHBondContact OD1-CA 3.3Å; D153-Q155 WeakPolarHBondContact OD1-CB 3.25Å; D153-Q155 PolarHBondContact OD1-N 3.16Å; Q155-L157 PolarHBondContact O-N 3.11Å; Q155-Q158 WeakPolarHBondContact O-CB 3.4Å; Q155-Q158 PolarHBondContact O-N 2.69Å; Q155-S159 PolarHBondContact O-N 2.95Å
156	A	66.6	Low	78.3	Confident	11 Å²	11	50.9 Å²	50.9	9%	0.091	28%	0.279	C	S	.	.	H	α-helix	trans	-57.1	-35.2	173.2	0	0	0	0	0	112.2	D153 Q158 S159 L160	D153-A156 WeakPolarHBondContact O-CB 3.35Å; D153-A156 PolarHBondContact O-N 3.21Å; D153-A156 PolarHBondContact OD1-N 2.84Å; A156-Q158 VanDerWaalsContact C-N 3.34Å; A156-Q158 PolarHBondContact O-N 3.11Å; A156-S159 PolarHBondContact O-N 3.19Å; A156-S159 PolarHBondContact O-OG 2.99Å; A156-L160 WeakPolarHBondContact O-CA 3.36Å; A156-L160 WeakPolarHBondContact O-CB 3.14Å; A156-L160 PolarHBondContact O-N 3.46Å
157	L	63.1	Low	77.8	Confident	60 Å²	60	51.2 Å²	51.2	31%	0.314	28%	0.281	S	S	.	.	H	α-helix	trans	-59.7	-39.9	171.9	175.5	61.1	0	0	0	113.1	F152 D153 Q155 R181	F152-L157 HydrophobicContact CE2-CB 3.93Å; F152-L157 HydrophobicContact CE2-CD1 3.95Å; F152-L157 HydrophobicContact CE2-CG 4.42Å; F152-L157 HydrophobicContact CZ-CB 3.81Å; F152-L157 HydrophobicContact CZ-CD1 3.96Å; F152-L157 HydrophobicContact CZ-CD2 4.08Å; F152-L157 HydrophobicContact CZ-CG 4.15Å; D153-L157 PolarHBondContact O-N 2.81Å; Q155-L157 PolarHBondContact O-N 3.11Å; L157-R181 HydrophobicContact CD1-CG 4.11Å
158	Q	66.4	Low	77.4	Confident	160 Å²	160	54 Å²	54	75%	0.748	29%	0.294	S	S	*	.	H	α-helix	trans	-76.4	-35.9	-179.8	-64.3	178.2	26.2	0	0	111.7	Q155 A156	Q155-Q158 WeakPolarHBondContact O-CB 3.4Å; Q155-Q158 PolarHBondContact O-N 2.69Å; A156-Q158 VanDerWaalsContact C-N 3.34Å; A156-Q158 PolarHBondContact O-N 3.11Å
159	S	74.8	Confident	76.9	Confident	44 Å²	44	53.6 Å²	53.6	31%	0.308	29%	0.291	S	S	.	.	H	α-helix	trans	-80	-15.1	174.8	69.7	0	0	0	0	113.6	Q155 A156 P161 N162 C163	Q155-S159 PolarHBondContact O-N 2.95Å; A156-S159 PolarHBondContact O-N 3.19Å; A156-S159 PolarHBondContact O-OG 2.99Å; S159-P161 VanDerWaalsContact C-CD 3.41Å; S159-P161 VanDerWaalsContact C-N 3.35Å; S159-P161 VanDerWaalsContact O-N 3.15Å; S159-N162 WeakPolarHBondContact O-CA 3.34Å; S159-N162 WeakPolarHBondContact O-CB 3.39Å; S159-N162 PolarHBondContact O-N 3.27Å; S159-C163 PolarHBondContact O-N 3.24Å; S159-C163 PolarHBondContact O-SG 3.11Å; S159-C163 VanDerWaalsContact O-SG 3.4Å; S159-C163 PolarHBondContact OG-SG 2.82Å
160	L	77.4	Confident	76.3	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-49	-42.6	-172.4	-172.4	64.1	0	0	0	114.6	I145 A156 C163 M164 L177 R181 Y184	I145-L160 HydrophobicContact CD1-CD1 4.35Å; I145-L160 HydrophobicContact CG2-CD1 4.15Å; A156-L160 WeakPolarHBondContact O-CA 3.36Å; A156-L160 WeakPolarHBondContact O-CB 3.14Å; A156-L160 PolarHBondContact O-N 3.46Å; L160-C163 PolarHBondContact O-N 3.32Å; L160-M164 HydrophobicContact CD1-CG 4.32Å; L160-M164 HydrophobicContact CG-CG 4.45Å; L160-M164 HydrophobicContact CG-SD 4.31Å; L160-M164 WeakPolarHBondContact O-CB 3.44Å; L160-M164 WeakPolarHBondContact O-CG 3.49Å; L160-M164 PolarHBondContact O-N 2.87Å; L160-L177 HydrophobicContact CD2-CD1 4.24Å; L160-L177 HydrophobicContact CG-CD1 4.28Å; L160-R181 HydrophobicContact CD2-CB 3.83Å; L160-R181 HydrophobicContact CD2-CG 4.15Å; L160-Y184 HydrophobicContact CD1-CD1 4.16Å; L160-Y184 HydrophobicContact CD1-CE1 4.25Å
161	P	77.6	Confident	75.5	Confident	40 Å²	40	55.7 Å²	55.7	26%	0.26	30%	0.304	S	S	.	.	H	α-helix	trans	-62	-44.7	176.6	-21.2	34	0	0	0	112.3	S159 M164 T165 L177	S159-P161 VanDerWaalsContact C-CD 3.41Å; S159-P161 VanDerWaalsContact C-N 3.35Å; S159-P161 VanDerWaalsContact O-N 3.15Å; P161-M164 PolarHBondContact O-N 2.88Å; P161-T165 PolarHBondContact O-N 3.35Å; P161-T165 VanDerWaalsContact O-N 3.07Å; P161-T165 PolarHBondContact O-OG1 3.44Å; P161-L177 HydrophobicContact CG-CD1 4.38Å; P161-L177 HydrophobicContact CG-CD2 4.2Å
162	N	77.1	Confident	74.8	Confident	108 Å²	108	57.3 Å²	57.3	58%	0.578	31%	0.312	S	S	*	.	H	α-helix	trans	-64.7	-45.4	177.7	-60.1	-17.8	0	0	0	110.7	S159 M164 T165 E166	S159-N162 WeakPolarHBondContact O-CA 3.34Å; S159-N162 WeakPolarHBondContact O-CB 3.39Å; S159-N162 PolarHBondContact O-N 3.27Å; N162-M164 VanDerWaalsContact C-N 3.29Å; N162-M164 PolarHBondContact O-N 2.78Å; N162-T165 WeakPolarHBondContact O-CB 3.35Å; N162-T165 PolarHBondContact O-N 3.46Å; N162-T165 VanDerWaalsContact O-N 3.15Å; N162-E166 WeakPolarHBondContact O-CG 3.38Å; N162-E166 PolarHBondContact O-N 3.31Å
163	C	77.3	Confident	75.1	Confident	13 Å²	13	58.4 Å²	58.4	9%	0.088	32%	0.318	C	S	.	.	H	α-helix	trans	-63.3	-35.1	176.9	-61.5	0	0	0	0	111.8	L149 S159 L160 E166 L167	L149-C163 HydrophobicContact CD1-CB 3.79Å; S159-C163 PolarHBondContact O-N 3.24Å; S159-C163 PolarHBondContact O-SG 3.11Å; S159-C163 VanDerWaalsContact O-SG 3.4Å; S159-C163 PolarHBondContact OG-SG 2.82Å; L160-C163 PolarHBondContact O-N 3.32Å; C163-E166 WeakPolarHBondContact CA-OE2 3.09Å; C163-E166 PolarHBondContact O-N 3.05Å; C163-L167 WeakPolarHBondContact O-CB 3.49Å; C163-L167 WeakPolarHBondContact O-CD1 3.11Å; C163-L167 WeakPolarHBondContact O-CG 3.5Å; C163-L167 PolarHBondContact O-N 3.5Å
164	M	81.7	Confident	75.4	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-63.4	-44.6	172.6	-81.7	-175.9	71.3	0	0	111.4	I145 L160 P161 N162 E166 L167 Q168 F169 C171 L176 L177 V180	I145-M164 HydrophobicContact CD1-CG 4.09Å; L160-M164 HydrophobicContact CD1-CG 4.32Å; L160-M164 HydrophobicContact CG-CG 4.45Å; L160-M164 HydrophobicContact CG-SD 4.31Å; L160-M164 WeakPolarHBondContact O-CB 3.44Å; L160-M164 WeakPolarHBondContact O-CG 3.49Å; L160-M164 PolarHBondContact O-N 2.87Å; P161-M164 PolarHBondContact O-N 2.88Å; N162-M164 VanDerWaalsContact C-N 3.29Å; N162-M164 PolarHBondContact O-N 2.78Å; M164-E166 PolarHBondContact O-N 2.65Å; M164-L167 CarbonylContact O-C 3.58Å; M164-L167 PolarHBondContact O-N 3.4Å; M164-Q168 PolarHBondContact O-N 3Å; M164-F169 HydrophobicContact CB-CB 4.1Å; M164-F169 HydrophobicContact CB-CD2 4.41Å; M164-F169 HydrophobicContact CE-CB 3.67Å; M164-F169 HydrophobicContact CE-CG 4.2Å; M164-F169 HydrophobicContact CG-CB 4.38Å; M164-F169 HydrophobicContact CG-CD2 4.23Å; M164-F169 PolarHBondContact O-N 2.82Å; M164-C171 HydrophobicContact CB-CB 4.45Å; M164-L176 HydrophobicContact CE-CD2 3.78Å; M164-L176 HydrophobicContact CE-CG 4.19Å; M164-L177 HydrophobicContact SD-CD1 3.53Å; M164-L177 VanDerWaalsContact SD-CD1 3.53Å; M164-V180 HydrophobicContact CE-CB 4.16Å; M164-V180 HydrophobicContact CE-CG1 4.1Å; M164-V180 HydrophobicContact CE-CG2 4.08Å; M164-V180 HydrophobicContact SD-CB 4.31Å; M164-V180 HydrophobicContact SD-CG1 3.93Å
165	T	81.6	Confident	76.4	Confident	74 Å²	74	60.9 Å²	60.9	45%	0.454	33%	0.326	S	S	.	.	H	α-helix	trans	-60.1	-44.2	173.5	-47.7	0	0	0	0	112.5	P161 N162 Q168 C171	P161-T165 PolarHBondContact O-N 3.35Å; P161-T165 VanDerWaalsContact O-N 3.07Å; P161-T165 PolarHBondContact O-OG1 3.44Å; N162-T165 WeakPolarHBondContact O-CB 3.35Å; N162-T165 PolarHBondContact O-N 3.46Å; N162-T165 VanDerWaalsContact O-N 3.15Å; T165-Q168 WeakPolarHBondContact O-CA 3.38Å; T165-Q168 PolarHBondContact O-N 2.98Å; T165-C171 PolarHBondContact OG1-SG 2.96Å
166	E	78.8	Confident	77.2	Confident	81 Å²	81	53.5 Å²	53.5	38%	0.379	29%	0.291	S	S	.	.	H	α-helix	trans	-62	-44.7	177.2	-73.9	170.2	159	0	0	111.7	N162 C163 M164 Q168 R351 I353	N162-E166 WeakPolarHBondContact O-CG 3.38Å; N162-E166 PolarHBondContact O-N 3.31Å; C163-E166 WeakPolarHBondContact CA-OE2 3.09Å; C163-E166 PolarHBondContact O-N 3.05Å; M164-E166 PolarHBondContact O-N 2.65Å; E166-Q168 PolarHBondContact O-N 3.44Å; E166-R351 PolarHBondContact O-NH1 3.21Å; E166-I353 HydrophobicContact CB-CD1 3.55Å; E166-I353 HydrophobicContact CG-CD1 3.73Å
167	L	81.3	Confident	78.2	Confident	7 Å²	7	54.2 Å²	54.2	4%	0.037	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	2.2	173.6	-61.5	166.9	0	0	0	113.1	H122 F144 I145 Q148 C163 M164 F169 F350	H122-L167 PolarHBondContact NE2-O 3.29Å; F144-L167 HydrophobicContact CD1-CD2 4.15Å; F144-L167 HydrophobicContact CE1-CD2 3.75Å; I145-L167 HydrophobicContact CG1-CD1 3.73Å; Q148-L167 HydrophobicContact CB-CD2 4.26Å; Q148-L167 HydrophobicContact CG-CD2 3.87Å; C163-L167 WeakPolarHBondContact O-CB 3.49Å; C163-L167 WeakPolarHBondContact O-CD1 3.11Å; C163-L167 WeakPolarHBondContact O-CG 3.5Å; C163-L167 PolarHBondContact O-N 3.5Å; M164-L167 CarbonylContact O-C 3.58Å; M164-L167 PolarHBondContact O-N 3.4Å; L167-F169 HydrophobicContact CB-CD2 3.73Å; L167-F169 HydrophobicContact CB-CE2 3.66Å; L167-F169 HydrophobicContact CD1-CE2 4.3Å; L167-F350 HydrophobicContact CD2-CB 3.82Å; L167-F350 HydrophobicContact CD2-CD1 3.81Å; L167-F350 HydrophobicContact CD2-CG 4.04Å
168	Q	82.8	Confident	79.5	Confident	65 Å²	65	54 Å²	54	30%	0.304	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	69	21.6	176.4	-51.6	173	65.6	0	0	116.2	V126 M164 T165 E166 F350	V126-Q168 HydrophobicContact CG1-CB 3.75Å; V126-Q168 WeakPolarHBondContact CG1-O 3.43Å; V126-Q168 HydrophobicContact CG2-CB 4.49Å; M164-Q168 PolarHBondContact O-N 3Å; T165-Q168 WeakPolarHBondContact O-CA 3.38Å; T165-Q168 PolarHBondContact O-N 2.98Å; E166-Q168 PolarHBondContact O-N 3.44Å; Q168-F350 HydrophobicContact CG-CE1 4.11Å; Q168-F350 VanDerWaalsContact NE2-CE1 3.27Å
169	F	78.7	Confident	80.7	Confident	8 Å²	8	48 Å²	48	4%	0.035	27%	0.272	C	S	.	.			trans	-80	143	166.1	-58.6	-78.9	0	0	0	110.5	H122 Y137 G141 F144 I145 M164 L167 C171	H122-F169 AromaticContact CE1-CE1 3.54Å; H122-F169 AromaticContact CE1-CE2 3.81Å; H122-F169 AromaticContact CE1-CZ 3.25Å; H122-F169 WeakPolarHBondContact CE1-CZ 3.26Å; H122-F169 AromaticContact ND1-CZ 3.91Å; Y137-F169 AromaticContact CE1-CD1 3.71Å; Y137-F169 HydrophobicContact CE1-CD1 3.71Å; Y137-F169 HydrophobicContact CE1-CE1 4.33Å; Y137-F169 AromaticContact CZ-CD1 3.96Å; G141-F169 VanDerWaalsContact CA-CZ 3.49Å; F144-F169 HydrophobicContact CB-CZ 4.38Å; F144-F169 HydrophobicContact CD1-CE2 4.31Å; F144-F169 HydrophobicContact CD1-CZ 4.26Å; I145-F169 HydrophobicContact CD1-CD2 4.47Å; I145-F169 HydrophobicContact CD1-CE2 4.12Å; I145-F169 HydrophobicContact CG1-CE2 4.03Å; M164-F169 HydrophobicContact CB-CB 4.1Å; M164-F169 HydrophobicContact CB-CD2 4.41Å; M164-F169 HydrophobicContact CE-CB 3.67Å; M164-F169 HydrophobicContact CE-CG 4.2Å; M164-F169 HydrophobicContact CG-CB 4.38Å; M164-F169 HydrophobicContact CG-CD2 4.23Å; M164-F169 PolarHBondContact O-N 2.82Å; L167-F169 HydrophobicContact CB-CD2 3.73Å; L167-F169 HydrophobicContact CB-CE2 3.66Å; L167-F169 HydrophobicContact CD1-CE2 4.3Å; F169-C171 PolarHBondContact O-N 3.45Å
170	P	71.2	Confident	81.5	Confident	36 Å²	36	46 Å²	46	23%	0.234	26%	0.257	C	S	.	.			trans	-71.3	95	176.2	25.9	-29	0	0	0	110.6	Y137 D172 L176	Y137-P170 WeakPolarHBondContact OH-CD 3.42Å; P170-D172 VanDerWaalsContact C-OD1 3.23Å; P170-D172 WeakPolarHBondContact CA-OD1 3.35Å; P170-D172 VanDerWaalsContact CB-OD1 3.25Å; P170-D172 WeakPolarHBondContact CB-OD1 3.44Å; P170-D172 PolarHBondContact O-N 3.28Å; P170-L176 HydrophobicContact CG-CD2 3.94Å; P170-L176 VanDerWaalsContact O-CD2 3.26Å; P170-L176 WeakPolarHBondContact O-CD2 3.24Å
171	C	70.3	Confident	82.1	Confident	47 Å²	47	49.5 Å²	49.5	32%	0.318	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-11.1	-176.1	68	0	0	0	0	114.2	M164 T165 F169 Q173	M164-C171 HydrophobicContact CB-CB 4.45Å; T165-C171 PolarHBondContact OG1-SG 2.96Å; F169-C171 PolarHBondContact O-N 3.45Å; C171-Q173 VanDerWaalsContact C-N 3.29Å
172	D	73.6	Confident	82.8	Confident	96 Å²	96	51.2 Å²	51.2	51%	0.513	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-21.6	178.8	57.2	-67.7	0	0	0	113.1	P170 P174	P170-D172 VanDerWaalsContact C-OD1 3.23Å; P170-D172 WeakPolarHBondContact CA-OD1 3.35Å; P170-D172 VanDerWaalsContact CB-OD1 3.25Å; P170-D172 WeakPolarHBondContact CB-OD1 3.44Å; P170-D172 PolarHBondContact O-N 3.28Å; D172-P174 VanDerWaalsContact O-CD 3.29Å; D172-P174 WeakPolarHBondContact O-CD 3.23Å
173	Q	81	Confident	83.6	Confident	59 Å²	59	46.6 Å²	46.6	28%	0.276	26%	0.255	S	S	.	.			trans	-87.5	107.6	-179.5	-61.3	-58.3	-49.4	0	0	110.7	C171 E175 L176 L177 V502	C171-Q173 VanDerWaalsContact C-N 3.29Å; Q173-E175 PolarHBondContact O-N 2.96Å; Q173-L176 HydrophobicContact CB-CB 3.85Å; Q173-L176 WeakPolarHBondContact O-CB 3.33Å; Q173-L176 PolarHBondContact O-N 2.81Å; Q173-L177 PolarHBondContact O-N 2.96Å; Q173-L177 VanDerWaalsContact O-N 3.11Å; Q173-V502 HydrophobicContact CG-CG2 4.46Å
174	P	83.8	Confident	84.3	Confident	101 Å²	101	46 Å²	46	66%	0.656	25%	0.251	S	S	*	.	H	α-helix	trans	-69.5	-31.9	-171.8	27.4	-35.1	0	0	0	113.3	D172 L176 L177 S178	D172-P174 VanDerWaalsContact O-CD 3.29Å; D172-P174 WeakPolarHBondContact O-CD 3.23Å; P174-L176 VanDerWaalsContact C-N 3.34Å; P174-L177 PolarHBondContact O-N 3.37Å; P174-S178 PolarHBondContact O-N 3.37Å; P174-S178 PolarHBondContact O-OG 2.64Å
175	E	89.2	Confident	84.8	Confident	113 Å²	113	49.8 Å²	49.8	53%	0.528	27%	0.269	S	S	.	.	H	α-helix	trans	-67.3	-35	175	-169	179.6	-176.7	0	0	111.5	F134 Q173 S178 T179	F134-E175 HydrophobicContact CE1-CG 4.37Å; F134-E175 HydrophobicContact CZ-CB 4.36Å; F134-E175 HydrophobicContact CZ-CG 3.9Å; Q173-E175 PolarHBondContact O-N 2.96Å; E175-S178 PolarHBondContact O-OG 3.28Å; E175-S178 VanDerWaalsContact O-OG 3.07Å; E175-T179 VanDerWaalsContact O-CB 3.28Å; E175-T179 WeakPolarHBondContact O-CB 3.34Å; E175-T179 PolarHBondContact O-N 2.88Å; E175-T179 PolarHBondContact O-OG1 3.47Å
176	L	87.8	Confident	85.3	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-65.2	-51.9	173.2	-174.7	83.2	0	0	0	110.4	F134 Y137 C138 M164 P170 Q173 P174 S178 T179 V180	F134-L176 HydrophobicContact CD2-CD1 4.4Å; F134-L176 HydrophobicContact CE2-CB 4.13Å; F134-L176 HydrophobicContact CE2-CD1 3.85Å; F134-L176 HydrophobicContact CZ-CD1 4.46Å; Y137-L176 HydrophobicContact CD1-CD1 3.62Å; Y137-L176 HydrophobicContact CE1-CD1 3.84Å; Y137-L176 HydrophobicContact CE1-CD2 4.16Å; C138-L176 VanDerWaalsContact SG-CD1 3.55Å; M164-L176 HydrophobicContact CE-CD2 3.78Å; M164-L176 HydrophobicContact CE-CG 4.19Å; P170-L176 HydrophobicContact CG-CD2 3.94Å; P170-L176 VanDerWaalsContact O-CD2 3.26Å; P170-L176 WeakPolarHBondContact O-CD2 3.24Å; Q173-L176 HydrophobicContact CB-CB 3.85Å; Q173-L176 WeakPolarHBondContact O-CB 3.33Å; Q173-L176 PolarHBondContact O-N 2.81Å; P174-L176 VanDerWaalsContact C-N 3.34Å; L176-S178 VanDerWaalsContact C-N 3.31Å; L176-S178 PolarHBondContact O-N 3.38Å; L176-T179 PolarHBondContact O-N 3.07Å; L176-V180 HydrophobicContact CD1-CG2 4.28Å; L176-V180 HydrophobicContact CG-CG2 4.14Å; L176-V180 VanDerWaalsContact O-CB 3.3Å; L176-V180 WeakPolarHBondContact O-CB 3.49Å; L176-V180 VanDerWaalsContact O-CG2 3.28Å; L176-V180 WeakPolarHBondContact O-CG2 3.29Å; L176-V180 PolarHBondContact O-N 3.44Å
177	L	87.7	Confident	86	Confident	27 Å²	27	49.3 Å²	49.3	14%	0.141	26%	0.26	C	S	.	.	H	α-helix	trans	-60.4	-38.9	-177.9	176.2	61.4	0	0	0	112.2	L160 P161 M164 Q173 P174 R181	L160-L177 HydrophobicContact CD2-CD1 4.24Å; L160-L177 HydrophobicContact CG-CD1 4.28Å; P161-L177 HydrophobicContact CG-CD1 4.38Å; P161-L177 HydrophobicContact CG-CD2 4.2Å; M164-L177 HydrophobicContact SD-CD1 3.53Å; M164-L177 VanDerWaalsContact SD-CD1 3.53Å; Q173-L177 PolarHBondContact O-N 2.96Å; Q173-L177 VanDerWaalsContact O-N 3.11Å; P174-L177 PolarHBondContact O-N 3.37Å; L177-R181 WeakPolarHBondContact O-CB 3.36Å; L177-R181 PolarHBondContact O-N 2.88Å; L177-R181 VanDerWaalsContact O-N 3.16Å
178	S	89.8	Confident	86.6	Confident	55 Å²	55	55.4 Å²	55.4	39%	0.385	29%	0.287	S	S	.	.	H	α-helix	trans	-70.1	-45.6	175.6	61.8	0	0	0	0	112.2	P174 E175 L176 R181 T182	P174-S178 PolarHBondContact O-N 3.37Å; P174-S178 PolarHBondContact O-OG 2.64Å; E175-S178 PolarHBondContact O-OG 3.28Å; E175-S178 VanDerWaalsContact O-OG 3.07Å; L176-S178 VanDerWaalsContact C-N 3.31Å; L176-S178 PolarHBondContact O-N 3.38Å; S178-R181 WeakPolarHBondContact O-CB 3.35Å; S178-R181 PolarHBondContact O-N 3.21Å; S178-T182 PolarHBondContact O-N 3.45Å; S178-T182 PolarHBondContact O-OG1 3.25Å
179	T	92.4	Very high	87.1	Confident	35 Å²	35	55 Å²	55	22%	0.215	30%	0.3	C	S	.	.	H	α-helix	trans	-64.9	-46.4	-179.3	-54.6	0	0	0	0	111.6	F134 C138 E175 L176 R181 T182 M183	F134-T179 HydrophobicContact CE1-CG2 4.25Å; C138-T179 HydrophobicContact CB-CG2 3.71Å; E175-T179 VanDerWaalsContact O-CB 3.28Å; E175-T179 WeakPolarHBondContact O-CB 3.34Å; E175-T179 PolarHBondContact O-N 2.88Å; E175-T179 PolarHBondContact O-OG1 3.47Å; L176-T179 PolarHBondContact O-N 3.07Å; T179-R181 VanDerWaalsContact C-N 3.31Å; T179-R181 PolarHBondContact O-N 3.24Å; T179-T182 PolarHBondContact O-N 3.48Å; T179-M183 HydrophobicContact CG2-CE 3.78Å; T179-M183 HydrophobicContact CG2-SD 4.2Å; T179-M183 WeakPolarHBondContact O-CB 3.16Å; T179-M183 WeakPolarHBondContact O-CG 3.48Å; T179-M183 PolarHBondContact O-N 2.97Å
180	V	91.3	Very high	87.8	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-60.5	-40.7	176	169.6	0	0	0	0	111.2	C138 I145 M164 L176 Y184	C138-V180 HydrophobicContact CB-CG2 3.99Å; I145-V180 HydrophobicContact CD1-CG1 3.36Å; M164-V180 HydrophobicContact CE-CB 4.16Å; M164-V180 HydrophobicContact CE-CG1 4.1Å; M164-V180 HydrophobicContact CE-CG2 4.08Å; M164-V180 HydrophobicContact SD-CB 4.31Å; M164-V180 HydrophobicContact SD-CG1 3.93Å; L176-V180 HydrophobicContact CD1-CG2 4.28Å; L176-V180 HydrophobicContact CG-CG2 4.14Å; L176-V180 VanDerWaalsContact O-CB 3.3Å; L176-V180 WeakPolarHBondContact O-CB 3.49Å; L176-V180 VanDerWaalsContact O-CG2 3.28Å; L176-V180 WeakPolarHBondContact O-CG2 3.29Å; L176-V180 PolarHBondContact O-N 3.44Å; V180-Y184 WeakPolarHBondContact O-CB 3.44Å; V180-Y184 PolarHBondContact O-N 2.99Å
181	R	89.7	Confident	88.9	Confident	75 Å²	75	58.2 Å²	58.2	28%	0.283	32%	0.317	S	S	.	.	H	α-helix	trans	-60.6	-54.2	176.3	175.5	-174	-61.1	154.2	0.4	111.8	F152 L157 L160 L177 S178 T179 M183 Y184 E185	F152-R181 HydrophobicContact CE2-CG 4.49Å; L157-R181 HydrophobicContact CD1-CG 4.11Å; L160-R181 HydrophobicContact CD2-CB 3.83Å; L160-R181 HydrophobicContact CD2-CG 4.15Å; L177-R181 WeakPolarHBondContact O-CB 3.36Å; L177-R181 PolarHBondContact O-N 2.88Å; L177-R181 VanDerWaalsContact O-N 3.16Å; S178-R181 WeakPolarHBondContact O-CB 3.35Å; S178-R181 PolarHBondContact O-N 3.21Å; T179-R181 VanDerWaalsContact C-N 3.31Å; T179-R181 PolarHBondContact O-N 3.24Å; R181-M183 VanDerWaalsContact C-N 3.34Å; R181-M183 PolarHBondContact O-N 3.32Å; R181-Y184 WeakPolarHBondContact O-CB 3.26Å; R181-Y184 PolarHBondContact O-N 3.5Å; R181-Y184 VanDerWaalsContact O-N 3.11Å; R181-E185 WeakPolarHBondContact CG-OE1 3.28Å; R181-E185 WeakPolarHBondContact O-CG 3.28Å; R181-E185 PolarHBondContact O-N 2.91Å
182	T	92.6	Very high	89.9	Confident	76 Å²	76	58 Å²	58	47%	0.466	32%	0.315	S	S	.	.	H	α-helix	trans	-60	-44.8	179.9	-61.2	0	0	0	0	111.2	S178 T179 Y184 E185 E186	S178-T182 PolarHBondContact O-N 3.45Å; S178-T182 PolarHBondContact O-OG1 3.25Å; T179-T182 PolarHBondContact O-N 3.48Å; T182-Y184 VanDerWaalsContact C-N 3.3Å; T182-Y184 PolarHBondContact O-N 3.17Å; T182-E185 PolarHBondContact O-N 2.93Å; T182-E186 WeakPolarHBondContact O-CG 3.28Å; T182-E186 PolarHBondContact O-N 3.48Å
183	M	94.2	Very high	90.9	Very high	11 Å²	11	54.8 Å²	54.8	5%	0.054	30%	0.301	C	S	.	.	H	α-helix	trans	-62.7	-35.4	176	-70	-179.1	176.2	0	0	112.8	Y135 C138 L139 T179 R181 E186 R187	Y135-M183 HydrophobicContact CD2-CE 3.54Å; Y135-M183 HydrophobicContact CE1-CE 4.28Å; Y135-M183 HydrophobicContact CE2-CE 3.23Å; Y135-M183 HydrophobicContact CG-CE 4.19Å; C138-M183 VanDerWaalsContact C-SD 3.54Å; C138-M183 HydrophobicContact CB-CE 4.12Å; C138-M183 HydrophobicContact CB-SD 3.6Å; L139-M183 VanDerWaalsContact CA-SD 3.58Å; L139-M183 HydrophobicContact CB-SD 4.13Å; L139-M183 PolarHBondContact N-SD 3.47Å; L139-M183 VanDerWaalsContact N-SD 3.4Å; T179-M183 HydrophobicContact CG2-CE 3.78Å; T179-M183 HydrophobicContact CG2-SD 4.2Å; T179-M183 WeakPolarHBondContact O-CB 3.16Å; T179-M183 WeakPolarHBondContact O-CG 3.48Å; T179-M183 PolarHBondContact O-N 2.97Å; R181-M183 VanDerWaalsContact C-N 3.34Å; R181-M183 PolarHBondContact O-N 3.32Å; M183-E186 WeakPolarHBondContact O-CB 3.36Å; M183-E186 PolarHBondContact O-N 2.92Å; M183-R187 VanDerWaalsContact O-CG 3.28Å; M183-R187 WeakPolarHBondContact O-CG 3.27Å; M183-R187 PolarHBondContact O-N 2.92Å; M183-R187 PolarHBondContact O-NE 3.25Å
184	Y	91.2	Very high	91.5	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-69.8	-41.9	177.5	173.9	-142.7	0	0	0	112.1	I145 Q146 G150 F152 L160 V180 R181 T182 E186 R187	I145-Y184 HydrophobicContact CG2-CD1 3.78Å; I145-Y184 HydrophobicContact CG2-CD2 3.95Å; I145-Y184 HydrophobicContact CG2-CE1 3.65Å; I145-Y184 HydrophobicContact CG2-CE2 3.83Å; I145-Y184 HydrophobicContact CG2-CG 3.94Å; Q146-Y184 HydrophobicContact CB-CD2 4.24Å; Q146-Y184 HydrophobicContact CB-CE2 4.19Å; G150-Y184 WeakPolarHBondContact O-CE2 3.49Å; G150-Y184 PolarHBondContact O-OH 3.3Å; F152-Y184 HydrophobicContact CB-CE1 4.24Å; F152-Y184 HydrophobicContact CB-CE2 4.45Å; F152-Y184 AromaticContact CD2-CD1 3.81Å; F152-Y184 HydrophobicContact CD2-CD1 3.81Å; F152-Y184 AromaticContact CD2-CE1 3.79Å; F152-Y184 HydrophobicContact CD2-CE1 3.79Å; L160-Y184 HydrophobicContact CD1-CD1 4.16Å; L160-Y184 HydrophobicContact CD1-CE1 4.25Å; V180-Y184 WeakPolarHBondContact O-CB 3.44Å; V180-Y184 PolarHBondContact O-N 2.99Å; R181-Y184 WeakPolarHBondContact O-CB 3.26Å; R181-Y184 PolarHBondContact O-N 3.5Å; R181-Y184 VanDerWaalsContact O-N 3.11Å; T182-Y184 VanDerWaalsContact C-N 3.3Å; T182-Y184 PolarHBondContact O-N 3.17Å; Y184-E186 PolarHBondContact O-N 2.94Å; Y184-R187 PolarHBondContact O-N 3Å
185	E	91.7	Very high	92.1	Very high	79 Å²	79	50.4 Å²	50.4	37%	0.369	27%	0.272	S	S	.	.	H	α-helix	trans	-56.1	-38.6	172.3	-72.3	168.9	-160.4	0	0	111.7	F152 R181 T182 R187 K188	F152-E185 HydrophobicContact CD1-CG 3.95Å; F152-E185 HydrophobicContact CD2-CG 3.58Å; F152-E185 HydrophobicContact CE1-CG 3.82Å; F152-E185 HydrophobicContact CE2-CG 3.43Å; F152-E185 VanDerWaalsContact CE2-CG 3.43Å; F152-E185 WeakPolarHBondContact CE2-OE1 3.41Å; F152-E185 HydrophobicContact CG-CG 3.82Å; F152-E185 HydrophobicContact CZ-CG 3.54Å; F152-E185 WeakPolarHBondContact CZ-OE1 3.23Å; R181-E185 WeakPolarHBondContact CG-OE1 3.28Å; R181-E185 WeakPolarHBondContact O-CG 3.28Å; R181-E185 PolarHBondContact O-N 2.91Å; T182-E185 PolarHBondContact O-N 2.93Å; E185-R187 VanDerWaalsContact C-N 3.31Å; E185-R187 PolarHBondContact O-N 3.01Å; E185-K188 WeakPolarHBondContact O-CB 3.41Å
186	E	93.1	Very high	92.4	Very high	115 Å²	115	45.2 Å²	45.2	54%	0.537	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-16.7	174	-64.1	167.4	168.2	0	0	114.7	T182 M183 Y184 K188	T182-E186 WeakPolarHBondContact O-CG 3.28Å; T182-E186 PolarHBondContact O-N 3.48Å; M183-E186 WeakPolarHBondContact O-CB 3.36Å; M183-E186 PolarHBondContact O-N 2.92Å; Y184-E186 PolarHBondContact O-N 2.94Å; E186-K188 VanDerWaalsContact C-N 3.31Å
187	R	93.5	Very high	92.8	Very high	30 Å²	30	50.8 Å²	50.8	11%	0.113	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-5.3	179.6	-56.2	-45.6	103.7	168.1	-0	113.5	Y143 Q146 M183 Y184 E185 Q190	Y143-R187 HydrophobicContact CD1-CG 4.26Å; Y143-R187 HydrophobicContact CE1-CG 4.44Å; Y143-R187 PolarHBondContact OH-NH1 2.94Å; Y143-R187 VanDerWaalsContact OH-NH1 3.1Å; Q146-R187 HydrophobicContact CB-CB 4.04Å; Q146-R187 HydrophobicContact CB-CG 4.49Å; Q146-R187 HydrophobicContact CG-CB 3.92Å; M183-R187 VanDerWaalsContact O-CG 3.28Å; M183-R187 WeakPolarHBondContact O-CG 3.27Å; M183-R187 PolarHBondContact O-N 2.92Å; M183-R187 PolarHBondContact O-NE 3.25Å; Y184-R187 PolarHBondContact O-N 3Å; E185-R187 VanDerWaalsContact C-N 3.31Å; E185-R187 PolarHBondContact O-N 3.01Å; R187-Q190 VanDerWaalsContact O-CB 3.3Å; R187-Q190 WeakPolarHBondContact O-CB 3.4Å; R187-Q190 VanDerWaalsContact O-CG 3.32Å; R187-Q190 WeakPolarHBondContact O-CG 3.23Å; R187-Q190 PolarHBondContact O-N 3.4Å; R187-Q190 VanDerWaalsContact O-N 3.13Å
188	K	92.5	Very high	93.2	Very high	136 Å²	136	51.3 Å²	51.3	59%	0.591	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	135.7	-177.4	-172	172.1	-177.1	155.9	0	113	D151 E185 E186	D151-K188 HydrophobicContact CB-CG 4.36Å; D151-K188 VanDerWaalsContact OD2-CG 3.3Å; D151-K188 WeakPolarHBondContact OD2-CG 3.46Å; E185-K188 WeakPolarHBondContact O-CB 3.41Å; E186-K188 VanDerWaalsContact C-N 3.31Å
189	G	93.3	Very high	93.6	Very high	57 Å²	57	48.8 Å²	48.8	59%	0.588	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.1	-11.3	-175.6	0	0	0	0	0	114.6	D151	D151-G189 PolarHBondContact OD1-N 3.42Å; D151-G189 PolarHBondContact OD2-N 2.97Å
190	Q	94.4	Very high	93.9	Very high	40 Å²	40	47.3 Å²	47.3	19%	0.187	25%	0.245	C	C	.	.			trans	-76.3	125.5	175.7	-69.3	176.9	49.7	0	0	111	Q146 R187 N198	Q146-Q190 HydrophobicContact CG-CB 4.23Å; Q146-Q190 PolarHBondContact NE2-O 2.81Å; R187-Q190 VanDerWaalsContact O-CB 3.3Å; R187-Q190 WeakPolarHBondContact O-CB 3.4Å; R187-Q190 VanDerWaalsContact O-CG 3.32Å; R187-Q190 WeakPolarHBondContact O-CG 3.23Å; R187-Q190 PolarHBondContact O-N 3.4Å; R187-Q190 VanDerWaalsContact O-N 3.13Å; Q190-N198 PolarHBondContact OE1-ND2 3.44Å
191	T	93.4	Very high	94.1	Very high	70 Å²	70	49.3 Å²	49.3	43%	0.429	26%	0.255	S	S	.	.			trans	-65.6	156.2	171.5	64.2	0	0	0	0	110.8	A193 E194 A195	T191-A193 PolarHBondContact O-N 3.41Å; T191-E194 WeakPolarHBondContact CB-OE2 3.29Å; T191-E194 WeakPolarHBondContact CG2-OE2 3.32Å; T191-E194 PolarHBondContact N-OE2 3.34Å; T191-E194 WeakPolarHBondContact O-CB 3.43Å; T191-E194 PolarHBondContact O-N 2.94Å; T191-E194 VanDerWaalsContact OG1-CG 3.26Å; T191-E194 WeakPolarHBondContact OG1-CG 3.28Å; T191-E194 PolarHBondContact OG1-N 2.83Å; T191-E194 PolarHBondContact OG1-OE2 3.22Å; T191-A195 PolarHBondContact O-N 3.3Å
192	P	92.8	Very high	94.4	Very high	43 Å²	43	47.2 Å²	47.2	28%	0.279	25%	0.25	S	C	.	.	H	α-helix	trans	-54.6	-37.2	178.5	-30.8	37.7	0	0	0	114.2	E194 A195 E196	P192-E194 VanDerWaalsContact C-N 3.34Å; P192-E194 PolarHBondContact O-N 3.48Å; P192-A195 PolarHBondContact O-N 3.26Å; P192-E196 WeakPolarHBondContact O-CB 3.46Å; P192-E196 WeakPolarHBondContact O-CG 3.44Å; P192-E196 PolarHBondContact O-N 2.89Å
193	A	92.7	Very high	94.6	Very high	28 Å²	28	43.6 Å²	43.6	23%	0.231	23%	0.228	C	C	.	.	H	α-helix	trans	-67.4	-31.7	176.8	0	0	0	0	0	113.1	D111 T191 R197	D111-A193 WeakPolarHBondContact OD2-CB 3.47Å; T191-A193 PolarHBondContact O-N 3.41Å; A193-R197 VanDerWaalsContact O-CB 3.31Å; A193-R197 WeakPolarHBondContact O-CB 3.45Å; A193-R197 PolarHBondContact O-N 2.8Å
194	E	95.5	Very high	94.6	Very high	69 Å²	69	47.2 Å²	47.2	32%	0.322	24%	0.241	S	C	.	.	H	α-helix	trans	-76.7	-41	174.7	-68.1	171.3	114.9	0	0	111.8	T191 P192 E196 R197 N198	T191-E194 WeakPolarHBondContact CB-OE2 3.29Å; T191-E194 WeakPolarHBondContact CG2-OE2 3.32Å; T191-E194 PolarHBondContact N-OE2 3.34Å; T191-E194 WeakPolarHBondContact O-CB 3.43Å; T191-E194 PolarHBondContact O-N 2.94Å; T191-E194 VanDerWaalsContact OG1-CG 3.26Å; T191-E194 WeakPolarHBondContact OG1-CG 3.28Å; T191-E194 PolarHBondContact OG1-N 2.83Å; T191-E194 PolarHBondContact OG1-OE2 3.22Å; P192-E194 VanDerWaalsContact C-N 3.34Å; P192-E194 PolarHBondContact O-N 3.48Å; E194-E196 VanDerWaalsContact C-N 3.33Å; E194-E196 PolarHBondContact O-N 2.76Å; E194-R197 PolarHBondContact O-N 2.78Å; E194-R197 IonicContact OE1-NH2 2.8Å; E194-N198 VanDerWaalsContact O-CB 3.29Å; E194-N198 WeakPolarHBondContact O-CB 3.43Å; E194-N198 PolarHBondContact O-N 2.78Å; E194-N198 PolarHBondContact O-ND2 3.37Å
195	A	95.8	Very high	94.7	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-59.7	-43.4	172.9	0	0	0	0	0	111.1	Q146 A147 T191 P192 N198 Y199	Q146-A195 HydrophobicContact CB-CB 4.12Å; Q146-A195 HydrophobicContact CG-CB 3.9Å; A147-A195 HydrophobicContact CB-CB 4.09Å; T191-A195 PolarHBondContact O-N 3.3Å; P192-A195 PolarHBondContact O-N 3.26Å; A195-N198 PolarHBondContact O-N 2.83Å; A195-Y199 VanDerWaalsContact O-CB 3.26Å; A195-Y199 WeakPolarHBondContact O-CB 3.05Å; A195-Y199 PolarHBondContact O-N 2.74Å
196	E	95.7	Very high	94.8	Very high	3 Å²	3	53.5 Å²	53.5	1%	0.014	26%	0.263	C	S	.	.	H	α-helix	trans	-62.9	-44.8	173.1	-73.8	162.3	173.5	0	0	112.8	Y115 A147 P192 E194 N198 Y199 L200 R348	Y115-E196 WeakPolarHBondContact CD2-OE1 3.02Å; A147-E196 HydrophobicContact CB-CG 3.93Å; P192-E196 WeakPolarHBondContact O-CB 3.46Å; P192-E196 WeakPolarHBondContact O-CG 3.44Å; P192-E196 PolarHBondContact O-N 2.89Å; E194-E196 VanDerWaalsContact C-N 3.33Å; E194-E196 PolarHBondContact O-N 2.76Å; E196-N198 VanDerWaalsContact C-N 3.32Å; E196-N198 PolarHBondContact O-N 3.29Å; E196-Y199 WeakPolarHBondContact O-CB 3.46Å; E196-Y199 PolarHBondContact O-N 2.9Å; E196-L200 WeakPolarHBondContact O-CG 3.49Å; E196-L200 PolarHBondContact O-N 2.62Å; E196-R348 WeakPolarHBondContact OE1-CD 3.29Å; E196-R348 IonicContact OE1-CZ 3.59Å; E196-R348 IonicContact OE1-NE 3.64Å; E196-R348 PolarHBondContact OE1-NE 3.02Å; E196-R348 IonicContact OE1-NH2 3.21Å; E196-R348 IonicContact OE2-CZ 3.29Å; E196-R348 IonicContact OE2-NE 2.85Å; E196-R348 PolarHBondContact OE2-NE 3.45Å; E196-R348 IonicContact OE2-NH2 2.65Å; E196-R348 PolarHBondContact OE2-NH2 3.11Å
197	R	95.9	Very high	94.6	Very high	117 Å²	117	50.7 Å²	50.7	44%	0.442	26%	0.26	S	S	.	.	H	α-helix	trans	-60.1	-42.5	174.6	179.2	178.6	64.7	178.2	-4.9	111.4	A193 E194 N201	A193-R197 VanDerWaalsContact O-CB 3.31Å; A193-R197 WeakPolarHBondContact O-CB 3.45Å; A193-R197 PolarHBondContact O-N 2.8Å; E194-R197 PolarHBondContact O-N 2.78Å; E194-R197 IonicContact OE1-NH2 2.8Å; R197-N201 VanDerWaalsContact O-CB 3.23Å; R197-N201 WeakPolarHBondContact O-CB 3.12Å; R197-N201 VanDerWaalsContact O-CG 3.28Å; R197-N201 PolarHBondContact O-N 3.35Å; R197-N201 PolarHBondContact O-ND2 2.82Å
198	N	96.9	Very high	94.6	Very high	39 Å²	39	50 Å²	50	21%	0.209	26%	0.258	C	S	.	.	H	α-helix	trans	-71.9	-37.4	-179.8	-68.8	-19.7	0	0	0	112.1	Y143 Q190 E194 A195 E196 N202	Y143-N198 HydrophobicContact CD1-CB 3.75Å; Y143-N198 HydrophobicContact CE1-CB 3.37Å; Y143-N198 HydrophobicContact CE2-CB 4.22Å; Y143-N198 HydrophobicContact CG-CB 4.33Å; Q190-N198 PolarHBondContact OE1-ND2 3.44Å; E194-N198 VanDerWaalsContact O-CB 3.29Å; E194-N198 WeakPolarHBondContact O-CB 3.43Å; E194-N198 PolarHBondContact O-N 2.78Å; E194-N198 PolarHBondContact O-ND2 3.37Å; A195-N198 PolarHBondContact O-N 2.83Å; E196-N198 VanDerWaalsContact C-N 3.32Å; E196-N198 PolarHBondContact O-N 3.29Å; N198-N202 PolarHBondContact O-N 2.89Å; N198-N202 PolarHBondContact O-ND2 3.41Å
199	Y	97.5	Very high	94.7	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-55.8	-57	169.8	-177.1	-83.6	0	0	0	110.6	C118 V121 H122 L140 F144 A195 E196 N201 N202 A203	C118-Y199 HydrophobicContact CB-CD1 4.24Å; C118-Y199 HydrophobicContact CB-CE1 4.4Å; V121-Y199 HydrophobicContact CB-CE1 3.99Å; V121-Y199 HydrophobicContact CG1-CE1 3.64Å; H122-Y199 WeakPolarHBondContact CA-OH 3.38Å; H122-Y199 WeakPolarHBondContact CB-OH 3.42Å; H122-Y199 PolarHBondContact N-OH 2.84Å; H122-Y199 VanDerWaalsContact N-OH 3.15Å; L140-Y199 HydrophobicContact CB-CD2 4.04Å; L140-Y199 HydrophobicContact CB-CE2 3.68Å; L140-Y199 HydrophobicContact CD2-CD2 3.92Å; L140-Y199 HydrophobicContact CD2-CE2 4.17Å; L140-Y199 HydrophobicContact CD2-CG 4.08Å; L140-Y199 WeakPolarHBondContact CD2-O 3.31Å; L140-Y199 HydrophobicContact CG-CE2 4.45Å; L140-Y199 WeakPolarHBondContact O-CD2 3.14Å; L140-Y199 VanDerWaalsContact O-CE2 3.24Å; L140-Y199 WeakPolarHBondContact O-CE2 3.48Å; F144-Y199 HydrophobicContact CB-CD2 4.12Å; F144-Y199 HydrophobicContact CB-CE2 3.89Å; F144-Y199 HydrophobicContact CD2-CE2 4.16Å; F144-Y199 HydrophobicContact CG-CE2 4.41Å; A195-Y199 VanDerWaalsContact O-CB 3.26Å; A195-Y199 WeakPolarHBondContact O-CB 3.05Å; A195-Y199 PolarHBondContact O-N 2.74Å; E196-Y199 WeakPolarHBondContact O-CB 3.46Å; E196-Y199 PolarHBondContact O-N 2.9Å; Y199-N201 PolarHBondContact O-N 3.27Å; Y199-N202 PolarHBondContact O-N 3.49Å; Y199-A203 HydrophobicContact CE1-CB 4.41Å; Y199-A203 WeakPolarHBondContact O-CB 3.47Å; Y199-A203 PolarHBondContact O-N 3.15Å
200	L	97.4	Very high	94.8	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.016	21%	0.21	C	C	.	.	H	α-helix	trans	-65.4	-37.7	-177.7	-67.4	171.2	0	0	0	112.9	P105 R114 L117 C118 V121 E196 N202 A203 R204	P105-L200 HydrophobicContact CB-CB 3.88Å; P105-L200 HydrophobicContact CB-CD1 3.93Å; P105-L200 HydrophobicContact CB-CG 4.37Å; P105-L200 HydrophobicContact CG-CB 4.12Å; R114-L200 HydrophobicContact CB-CD1 4.14Å; L117-L200 HydrophobicContact CB-CD2 4.33Å; L117-L200 HydrophobicContact CD2-CD1 4.28Å; L117-L200 HydrophobicContact CD2-CD2 3.96Å; L117-L200 HydrophobicContact CG-CD2 3.74Å; C118-L200 VanDerWaalsContact SG-CG 3.52Å; V121-L200 HydrophobicContact CG2-CD2 4.46Å; E196-L200 WeakPolarHBondContact O-CG 3.49Å; E196-L200 PolarHBondContact O-N 2.62Å; L200-N202 PolarHBondContact O-N 2.66Å; L200-A203 PolarHBondContact O-N 2.74Å; L200-R204 WeakPolarHBondContact O-CB 3.42Å; L200-R204 WeakPolarHBondContact O-CG 3.4Å; L200-R204 PolarHBondContact O-N 3.39Å
201	N	96.1	Very high	94.9	Very high	42 Å²	42	41.5 Å²	41.5	23%	0.225	21%	0.208	C	C	.	.	H	α-helix	trans	-62.1	-28.9	176.2	-87.8	-32.3	0	0	0	113.7	R197 Y199 R204	R197-N201 VanDerWaalsContact O-CB 3.23Å; R197-N201 WeakPolarHBondContact O-CB 3.12Å; R197-N201 VanDerWaalsContact O-CG 3.28Å; R197-N201 PolarHBondContact O-N 3.35Å; R197-N201 PolarHBondContact O-ND2 2.82Å; Y199-N201 PolarHBondContact O-N 3.27Å; N201-R204 WeakPolarHBondContact O-CG 3.37Å; N201-R204 PolarHBondContact OD1-NH2 2.86Å
202	N	96.3	Very high	95	Very high	31 Å²	31	40 Å²	40	17%	0.166	20%	0.196	C	C	.	.	H	α-helix	trans	-87.7	-44.9	173.3	-74.2	-68.7	0	0	0	111.6	L140 N198 Y199 L200 R204 R205	L140-N202 HydrophobicContact CD2-CB 3.85Å; N198-N202 PolarHBondContact O-N 2.89Å; N198-N202 PolarHBondContact O-ND2 3.41Å; Y199-N202 PolarHBondContact O-N 3.49Å; L200-N202 PolarHBondContact O-N 2.66Å; N202-R204 VanDerWaalsContact C-N 3.28Å; N202-R204 PolarHBondContact O-N 2.78Å; N202-R205 VanDerWaalsContact O-CB 3.31Å; N202-R205 WeakPolarHBondContact O-CB 3.48Å; N202-R205 PolarHBondContact O-N 3.13Å; N202-R205 PolarHBondContact OD1-NH1 3.05Å
203	A	96.4	Very high	95	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.7	-32.2	-178	0	0	0	0	0	113.4	V121 L140 Y199 L200 R205 L206 Y209	V121-A203 HydrophobicContact CG1-CB 3.69Å; L140-A203 HydrophobicContact CD1-CB 4.04Å; L140-A203 HydrophobicContact CD2-CB 4.11Å; Y199-A203 HydrophobicContact CE1-CB 4.41Å; Y199-A203 WeakPolarHBondContact O-CB 3.47Å; Y199-A203 PolarHBondContact O-N 3.15Å; L200-A203 PolarHBondContact O-N 2.74Å; A203-R205 PolarHBondContact O-N 2.97Å; A203-R205 VanDerWaalsContact O-N 3.11Å; A203-L206 WeakPolarHBondContact O-CB 3.39Å; A203-L206 WeakPolarHBondContact O-CG 3.27Å; A203-L206 PolarHBondContact O-N 3.27Å; A203-L206 VanDerWaalsContact O-N 3.14Å; A203-Y209 WeakPolarHBondContact O-CD2 3.37Å
204	R	95.2	Very high	94.9	Very high	88 Å²	88	41.3 Å²	41.3	33%	0.332	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-11.3	174.8	70.9	164.1	165.7	-174.3	-12.8	115.2	T103 D104 L200 N201 N202 Y209	T103-R204 WeakPolarHBondContact O-CD 3.28Å; D104-R204 VanDerWaalsContact CG-NH1 3.25Å; D104-R204 IonicContact OD1-CZ 3.47Å; D104-R204 IonicContact OD1-NH1 3.83Å; D104-R204 PolarHBondContact OD1-NH1 3.27Å; D104-R204 IonicContact OD1-NH2 3.53Å; L200-R204 WeakPolarHBondContact O-CB 3.42Å; L200-R204 WeakPolarHBondContact O-CG 3.4Å; L200-R204 PolarHBondContact O-N 3.39Å; N201-R204 WeakPolarHBondContact O-CG 3.37Å; N201-R204 PolarHBondContact OD1-NH2 2.86Å; N202-R204 VanDerWaalsContact C-N 3.28Å; N202-R204 PolarHBondContact O-N 2.78Å; R204-Y209 HydrophobicContact CB-CD1 4.13Å; R204-Y209 HydrophobicContact CB-CE1 4.06Å; R204-Y209 HydrophobicContact CB-CE2 4.49Å; R204-Y209 HydrophobicContact CB-CG 4.39Å
205	R	93.8	Very high	94.3	Very high	186 Å²	186	40.2 Å²	40.2	70%	0.702	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-8.6	177.4	-59.9	173	167.9	158.3	-10.1	112.8	N202 A203	N202-R205 VanDerWaalsContact O-CB 3.31Å; N202-R205 WeakPolarHBondContact O-CB 3.48Å; N202-R205 PolarHBondContact O-N 3.13Å; N202-R205 PolarHBondContact OD1-NH1 3.05Å; A203-R205 PolarHBondContact O-N 2.97Å; A203-R205 VanDerWaalsContact O-N 3.11Å
206	L	92.3	Very high	94.1	Very high	24 Å²	24	43.5 Å²	43.5	13%	0.126	22%	0.223	C	C	.	.	S	Bend	trans	-73.9	132.5	178	-63.3	173.6	0	0	0	110	I125 L130 C132 T136 L140 A203 L208 Y209	I125-L206 HydrophobicContact CD1-CD1 4.24Å; L130-L206 HydrophobicContact CD1-CB 3.82Å; L130-L206 HydrophobicContact CD1-CD1 4.11Å; L130-L206 HydrophobicContact CD2-CD1 4.01Å; L130-L206 HydrophobicContact CG-CB 4.47Å; L130-L206 HydrophobicContact CG-CD1 3.83Å; C132-L206 HydrophobicContact CB-CD1 3.9Å; C132-L206 HydrophobicContact CB-CD2 3.48Å; C132-L206 VanDerWaalsContact CB-CD2 3.48Å; C132-L206 HydrophobicContact CB-CG 4.37Å; T136-L206 HydrophobicContact CG2-CD2 4.04Å; L140-L206 HydrophobicContact CD1-CD1 4.21Å; A203-L206 WeakPolarHBondContact O-CB 3.39Å; A203-L206 WeakPolarHBondContact O-CG 3.27Å; A203-L206 PolarHBondContact O-N 3.27Å; A203-L206 VanDerWaalsContact O-N 3.14Å; L206-L208 PolarHBondContact O-N 3.3Å; L206-Y209 WeakPolarHBondContact O-CB 3.21Å; L206-Y209 PolarHBondContact O-N 2.99Å
207	A	89.9	Confident	94.1	Very high	57 Å²	57	43.4 Å²	43.4	47%	0.471	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-24.4	-171.1	0	0	0	0	0	114.9
208	L	93	Very high	94.2	Very high	15 Å²	15	42 Å²	42	8%	0.079	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	13.1	177.6	-59.2	-177.3	0	0	0	114.1	L130 P131 L206 G210 V211 L237 F240	L130-L208 VanDerWaalsContact CD1-C 3.47Å; L130-L208 HydrophobicContact CD1-CB 4.02Å; P131-L208 HydrophobicContact CG-CD1 4.02Å; L206-L208 PolarHBondContact O-N 3.3Å; L208-G210 PolarHBondContact O-N 2.76Å; L208-G210 VanDerWaalsContact O-N 3.15Å; L208-V211 HydrophobicContact CB-CG2 4.47Å; L208-V211 HydrophobicContact CD2-CB 4.45Å; L208-V211 HydrophobicContact CD2-CG1 4.47Å; L208-V211 HydrophobicContact CD2-CG2 4.29Å; L208-V211 PolarHBondContact O-N 3.34Å; L208-L237 HydrophobicContact CD2-CD1 3.66Å; L208-L237 HydrophobicContact CD2-CD2 4.26Å; L208-F240 HydrophobicContact CD1-CB 4Å; L208-F240 HydrophobicContact CD1-CD1 3.63Å; L208-F240 HydrophobicContact CD1-CG 4.24Å
209	Y	95.3	Very high	94	Very high	23 Å²	23	42.4 Å²	42.4	9%	0.09	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	119.6	175.6	174.6	-94.5	0	0	0	110.8	Y101 P102 P105 V121 L130 A203 R204 L206 V211	Y101-Y209 HydrophobicContact CD1-CE2 4.27Å; P102-Y209 PolarHBondContact O-OH 2.99Å; P105-Y209 WeakPolarHBondContact CG-OH 3.36Å; V121-Y209 HydrophobicContact CG2-CD2 4.47Å; V121-Y209 HydrophobicContact CG2-CE2 3.85Å; L130-Y209 HydrophobicContact CD2-CD2 4.46Å; A203-Y209 WeakPolarHBondContact O-CD2 3.37Å; R204-Y209 HydrophobicContact CB-CD1 4.13Å; R204-Y209 HydrophobicContact CB-CE1 4.06Å; R204-Y209 HydrophobicContact CB-CE2 4.49Å; R204-Y209 HydrophobicContact CB-CG 4.39Å; L206-Y209 WeakPolarHBondContact O-CB 3.21Å; L206-Y209 PolarHBondContact O-N 2.99Å; Y209-V211 VanDerWaalsContact C-N 3.27Å; Y209-V211 PolarHBondContact O-N 2.87Å
210	G	95.4	Very high	93.6	Very high	9 Å²	9	47.1 Å²	47.1	9%	0.093	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.2	21.4	178.4	0	0	0	0	0	115.6	L208 C230	L208-G210 PolarHBondContact O-N 2.76Å; L208-G210 VanDerWaalsContact O-N 3.15Å; G210-C230 WeakPolarHBondContact O-CB 3.43Å
211	V	95.2	Very high	93.3	Very high	22 Å²	22	51.6 Å²	51.6	13%	0.133	29%	0.293	C	S	.	.			trans	-89.3	110.8	177.8	-179.6	0	0	0	0	110.7	L208 Y209 L213 G228 I229 C230 L235	L208-V211 HydrophobicContact CB-CG2 4.47Å; L208-V211 HydrophobicContact CD2-CB 4.45Å; L208-V211 HydrophobicContact CD2-CG1 4.47Å; L208-V211 HydrophobicContact CD2-CG2 4.29Å; L208-V211 PolarHBondContact O-N 3.34Å; Y209-V211 VanDerWaalsContact C-N 3.27Å; Y209-V211 PolarHBondContact O-N 2.87Å; V211-L213 HydrophobicContact CG1-CD2 3.8Å; V211-L213 HydrophobicContact CG1-CG 4.32Å; V211-L213 PolarHBondContact O-N 3.28Å; V211-G228 VanDerWaalsContact CG1-CA 3.48Å; V211-I229 CarbonylContact C-O 3.56Å; V211-I229 WeakPolarHBondContact CA-O 3.25Å; V211-C230 HydrophobicContact CG2-CB 4.06Å; V211-L235 HydrophobicContact CG1-CD1 4.33Å; V211-L235 HydrophobicContact CG2-CD1 3.67Å
212	E	94.9	Very high	93.1	Very high	39 Å²	39	51.3 Å²	51.3	18%	0.182	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	103.6	165.8	-172.8	172.4	104.9	0	0	108.8	W76 H214 G228 I229 S293	W76-E212 PolarHBondContact NE1-OE2 2.85Å; E212-H214 IonicContact OE1-NE2 3.27Å; E212-H214 PolarHBondContact OE1-NE2 2.81Å; E212-G228 CarbonylContact O-C 3.53Å; E212-G228 WeakPolarHBondContact O-CA 3.18Å; E212-I229 PolarHBondContact N-O 3.07Å; E212-I229 PolarHBondContact O-N 2.83Å; E212-S293 VanDerWaalsContact OE1-CB 3.24Å; E212-S293 WeakPolarHBondContact OE1-CB 3.3Å; E212-S293 PolarHBondContact OE1-OG 2.99Å
213	L	93.1	Very high	93	Very high	70 Å²	70	52.3 Å²	52.3	37%	0.366	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	121.6	177.2	-66	175.5	0	0	0	111.2	V211 L237 F240	V211-L213 HydrophobicContact CG1-CD2 3.8Å; V211-L213 HydrophobicContact CG1-CG 4.32Å; V211-L213 PolarHBondContact O-N 3.28Å; L213-L237 HydrophobicContact CD2-CD1 3.42Å; L213-L237 VanDerWaalsContact CD2-CD1 3.42Å; L213-F240 HydrophobicContact CD1-CE1 4.47Å
214	H	91.9	Very high	93	Very high	29 Å²	29	57.7 Å²	57.7	13%	0.134	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	145	167.3	-64.9	-83.7	0	0	0	111.2	E212 I227 L290 S293	E212-H214 IonicContact OE1-NE2 3.27Å; E212-H214 PolarHBondContact OE1-NE2 2.81Å; H214-I227 WeakPolarHBondContact CB-O 3.49Å; H214-I227 PolarHBondContact N-O 2.92Å; H214-L290 HydrophobicContact CB-CD1 3.91Å; H214-L290 WeakPolarHBondContact CD2-CD1 3.24Å; H214-S293 WeakPolarHBondContact NE2-CB 3.43Å
215	G	83	Confident	93	Very high	45 Å²	45	53.9 Å²	53.9	46%	0.464	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	161	-176.9	0	0	0	0	0	114.3	M281	G215-M281 VanDerWaalsContact O-CE 3.22Å; G215-M281 WeakPolarHBondContact O-CE 3.32Å
216	T	91.7	Very high	93	Very high	69 Å²	69	47 Å²	47	42%	0.423	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-47.8	132.8	-165.1	-36.6	0	0	0	0	115	E224	T216-E224 HydrophobicContact CG2-CB 3.65Å; T216-E224 HydrophobicContact CG2-CG 4.13Å
217	A	95.6	Very high	93.2	Very high	2 Å²	2	45.8 Å²	45.8	2%	0.017	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	164.5	169.8	0	0	0	0	0	109.9	E224 V225 I227 A280 M281	A217-E224 WeakPolarHBondContact O-CA 3.36Å; A217-V225 HydrophobicContact CB-CG2 4.4Å; A217-V225 PolarHBondContact N-O 3.41Å; A217-V225 PolarHBondContact O-N 2.9Å; A217-I227 HydrophobicContact CB-CD1 3.98Å; A217-I227 HydrophobicContact CB-CG1 4.4Å; A217-A280 CarbonylContact C-O 3.52Å; A217-A280 WeakPolarHBondContact CA-O 3.35Å; A217-M281 HydrophobicContact CB-CE 4.06Å; A217-M281 HydrophobicContact CB-SD 3.51Å; A217-M281 VanDerWaalsContact CB-SD 3.51Å
218	K	96.3	Very high	93.5	Very high	86 Å²	86	43.1 Å²	43.1	37%	0.374	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	141.4	164.9	-69.3	178.4	179.5	-70.5	0	110.5	G222 A223 E224 Y279 A280	K218-G222 PolarHBondContact NZ-O 2.94Å; K218-A223 VanDerWaalsContact CA-O 3.28Å; K218-A223 WeakPolarHBondContact CA-O 3.25Å; K218-E224 WeakPolarHBondContact CE-OE1 3.46Å; K218-E224 HydrophobicContact CG-CG 4.11Å; K218-E224 IonicContact NZ-OE1 2.66Å; K218-E224 PolarHBondContact NZ-OE1 3.43Å; K218-Y279 CarbonylContact O-C 3.44Å; K218-Y279 VanDerWaalsContact O-CA 3.23Å; K218-Y279 WeakPolarHBondContact O-CA 3.07Å; K218-A280 HydrophobicContact CB-CB 4.43Å; K218-A280 PolarHBondContact N-O 2.99Å; K218-A280 PolarHBondContact O-N 3.35Å
219	D	94	Very high	93.7	Very high	48 Å²	48	42.4 Å²	42.4	26%	0.257	27%	0.272	S	S	.	.			trans	-80.1	-153.7	177.1	81.8	-43.9	0	0	0	111.8	S221 G222 A223 V225 Y279	D219-S221 PolarHBondContact OD1-N 2.86Å; D219-S221 VanDerWaalsContact OD1-N 3.09Å; D219-S221 PolarHBondContact OD1-OG 2.89Å; D219-S221 WeakPolarHBondContact OD2-CB 3.11Å; D219-S221 PolarHBondContact OD2-N 3.39Å; D219-S221 PolarHBondContact OD2-OG 3.01Å; D219-G222 PolarHBondContact OD1-N 3.31Å; D219-A223 PolarHBondContact N-O 3Å; D219-A223 VanDerWaalsContact N-O 3.15Å; D219-A223 PolarHBondContact OD1-N 3.39Å; D219-V225 HydrophobicContact CB-CG2 4.48Å; D219-Y279 HydrophobicContact CB-CD1 4.3Å; D219-Y279 HydrophobicContact CB-CE1 4.23Å
220	A	89.6	Confident	93.8	Very high	102 Å²	102	41.9 Å²	41.9	84%	0.843	27%	0.272	S	S	*	.	S	Bend	trans	-82.5	-23.3	173.5	0	0	0	0	0	114.1
221	S	91.3	Very high	93.8	Very high	97 Å²	97	42.1 Å²	42.1	68%	0.678	27%	0.272	S	S	*	.	S	Bend	trans	-83	-23.5	174.3	68.3	0	0	0	0	113.2	D219 A223	D219-S221 PolarHBondContact OD1-N 2.86Å; D219-S221 VanDerWaalsContact OD1-N 3.09Å; D219-S221 PolarHBondContact OD1-OG 2.89Å; D219-S221 WeakPolarHBondContact OD2-CB 3.11Å; D219-S221 PolarHBondContact OD2-N 3.39Å; D219-S221 PolarHBondContact OD2-OG 3.01Å; S221-A223 PolarHBondContact OG-N 3.23Å
222	G	91.7	Very high	93.6	Very high	35 Å²	35	44.1 Å²	44.1	36%	0.361	28%	0.282	S	S	.	.	S	Bend	trans	103.1	-3.8	-175.9	0	0	0	0	0	113.9	K218 D219	K218-G222 PolarHBondContact NZ-O 2.94Å; D219-G222 PolarHBondContact OD1-N 3.31Å
223	A	93.6	Very high	93.6	Very high	53 Å²	53	42.3 Å²	42.3	44%	0.438	27%	0.274	S	S	.	.			trans	-61.1	148.2	172.4	0	0	0	0	0	111	K218 D219 S221	K218-A223 VanDerWaalsContact CA-O 3.28Å; K218-A223 WeakPolarHBondContact CA-O 3.25Å; D219-A223 PolarHBondContact N-O 3Å; D219-A223 VanDerWaalsContact N-O 3.15Å; D219-A223 PolarHBondContact OD1-N 3.39Å; S221-A223 PolarHBondContact OG-N 3.23Å
224	E	95.3	Very high	93.8	Very high	113 Å²	113	39 Å²	39	53%	0.528	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	128.4	-178.8	-67.7	-159.5	177.9	0	0	110.9	T216 A217 K218	T216-E224 HydrophobicContact CG2-CB 3.65Å; T216-E224 HydrophobicContact CG2-CG 4.13Å; A217-E224 WeakPolarHBondContact O-CA 3.36Å; K218-E224 WeakPolarHBondContact CE-OE1 3.46Å; K218-E224 HydrophobicContact CG-CG 4.11Å; K218-E224 IonicContact NZ-OE1 2.66Å; K218-E224 PolarHBondContact NZ-OE1 3.43Å
225	V	95.6	Very high	93.9	Very high	8 Å²	8	38 Å²	38	5%	0.048	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	146.6	-177.4	-64.4	0	0	0	0	110.5	A217 D219 I236 L237 L243 Y279	A217-V225 HydrophobicContact CB-CG2 4.4Å; A217-V225 PolarHBondContact N-O 3.41Å; A217-V225 PolarHBondContact O-N 2.9Å; D219-V225 HydrophobicContact CB-CG2 4.48Å; V225-I236 HydrophobicContact CB-CG2 3.98Å; V225-I236 HydrophobicContact CG1-CG2 4.2Å; V225-I236 HydrophobicContact CG2-CG2 4.11Å; V225-L237 CarbonylContact C-O 3.54Å; V225-L237 WeakPolarHBondContact CA-O 3.24Å; V225-L237 WeakPolarHBondContact CB-O 3.19Å; V225-L243 HydrophobicContact CG1-CD1 3.97Å; V225-Y279 HydrophobicContact CG2-CD1 3.96Å; V225-Y279 HydrophobicContact CG2-CE1 4.24Å
226	S	94.7	Very high	94.6	Very high	40 Å²	40	36 Å²	36	28%	0.28	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	147	168.2	-66	0	0	0	0	110.2	L237	S226-L237 PolarHBondContact N-O 3.44Å; S226-L237 PolarHBondContact O-N 2.96Å
227	I	96.5	Very high	94.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	114.1	178.4	-57.5	179	0	0	0	108.4	H214 A217 I234 L235 I236 F261 Y279 M281 L290	H214-I227 WeakPolarHBondContact CB-O 3.49Å; H214-I227 PolarHBondContact N-O 2.92Å; A217-I227 HydrophobicContact CB-CD1 3.98Å; A217-I227 HydrophobicContact CB-CG1 4.4Å; I227-I234 HydrophobicContact CG2-CG2 3.67Å; I227-L235 WeakPolarHBondContact CA-O 3.46Å; I227-I236 HydrophobicContact CG1-CD1 4.06Å; I227-I236 HydrophobicContact CG2-CD1 4.33Å; I227-F261 HydrophobicContact CD1-CD1 4.07Å; I227-Y279 HydrophobicContact CD1-CD1 4.4Å; I227-Y279 HydrophobicContact CD1-CD2 4.12Å; I227-Y279 HydrophobicContact CD1-CG 3.84Å; I227-M281 HydrophobicContact CD1-SD 4Å; I227-L290 HydrophobicContact CB-CD1 4.2Å; I227-L290 HydrophobicContact CB-CD2 4.4Å; I227-L290 HydrophobicContact CD1-CD2 3.77Å; I227-L290 HydrophobicContact CG2-CD1 3.7Å; I227-L290 HydrophobicContact CG2-CD2 4.25Å
228	G	96.5	Very high	94.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	150.5	175	0	0	0	0	0	111.8	V211 E212 I234 L235	V211-G228 VanDerWaalsContact CG1-CA 3.48Å; E212-G228 CarbonylContact O-C 3.53Å; E212-G228 WeakPolarHBondContact O-CA 3.18Å; G228-I234 WeakPolarHBondContact O-CA 3.44Å; G228-I234 WeakPolarHBondContact O-CG2 3.43Å; G228-L235 PolarHBondContact N-O 2.95Å; G228-L235 PolarHBondContact O-N 2.89Å
229	I	97	Very high	94	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	135.7	169.6	-52	172.3	0	0	0	108.7	V211 E212 W248 L290 C294 H297	V211-I229 CarbonylContact C-O 3.56Å; V211-I229 WeakPolarHBondContact CA-O 3.25Å; E212-I229 PolarHBondContact N-O 3.07Å; E212-I229 PolarHBondContact O-N 2.83Å; I229-W248 HydrophobicContact CG2-CH2 3.95Å; I229-W248 HydrophobicContact CG2-CZ2 3.72Å; I229-L290 HydrophobicContact CD1-CD1 3.9Å; I229-L290 HydrophobicContact CG1-CD1 4.3Å; I229-C294 HydrophobicContact CD1-CB 4.32Å; I229-C294 WeakPolarHBondContact CD1-SG 3.28Å; I229-H297 HydrophobicContact CG2-CB 3.69Å; I229-H297 VanDerWaalsContact CG2-CG 3.45Å
230	C	96.2	Very high	93.4	Very high	13 Å²	13	39.8 Å²	39.8	9%	0.088	25%	0.25	C	C	.	.			trans	-141.3	-175.7	174.9	63.5	0	0	0	0	111.2	G210 V211 D232 G233 W248	G210-C230 WeakPolarHBondContact O-CB 3.43Å; V211-C230 HydrophobicContact CG2-CB 4.06Å; C230-D232 PolarHBondContact O-N 3.08Å; C230-G233 PolarHBondContact N-O 3.3Å; C230-G233 PolarHBondContact O-N 3.4Å; C230-W248 PolarHBondContact O-NE1 3.26Å
231	A	95.3	Very high	93.3	Very high	13 Å²	13	36 Å²	36	11%	0.107	22%	0.215	C	C	.	.	S	Bend	trans	-58.4	-31.3	177.5	0	0	0	0	0	113.7	T103 W248 F301	T103-A231 HydrophobicContact CG2-CB 3.58Å; A231-W248 PolarHBondContact O-NE1 2.86Å; A231-F301 HydrophobicContact CB-CD1 3.85Å; A231-F301 HydrophobicContact CB-CD2 3.86Å; A231-F301 HydrophobicContact CB-CE1 3.62Å; A231-F301 HydrophobicContact CB-CE2 3.61Å; A231-F301 HydrophobicContact CB-CG 3.96Å; A231-F301 HydrophobicContact CB-CZ 3.48Å; A231-F301 VanDerWaalsContact CB-CZ 3.48Å
232	D	92.3	Very high	93.3	Very high	64 Å²	64	34.4 Å²	34.4	34%	0.342	19%	0.194	S	C	.	.	S	Bend	trans	-83.5	-26.4	-177.3	-80.5	-10	0	0	0	114.5	T103 C230 R245 A247 W248	T103-D232 VanDerWaalsContact CG2-OD1 3.25Å; T103-D232 WeakPolarHBondContact CG2-OD1 3.25Å; C230-D232 PolarHBondContact O-N 3.08Å; D232-R245 IonicContact OD2-CZ 2.8Å; D232-R245 IonicContact OD2-NH1 2.82Å; D232-R245 PolarHBondContact OD2-NH1 3.43Å; D232-R245 IonicContact OD2-NH2 2.78Å; D232-R245 PolarHBondContact OD2-NH2 3.39Å; D232-A247 WeakPolarHBondContact O-CA 3.48Å; D232-W248 PolarHBondContact O-N 2.59Å; D232-W248 VanDerWaalsContact O-N 3.15Å
233	G	94.9	Very high	93.3	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.3	-156.7	-172.5	0	0	0	0	0	115.4	C230 F246 W248	C230-G233 PolarHBondContact N-O 3.3Å; C230-G233 PolarHBondContact O-N 3.4Å; G233-F246 VanDerWaalsContact CA-O 3.26Å; G233-F246 WeakPolarHBondContact CA-O 3.48Å; G233-W248 VanDerWaalsContact CA-CE2 3.47Å; G233-W248 VanDerWaalsContact N-NE1 3.18Å
234	I	96.4	Very high	93.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	131.2	172.5	-52.6	173.7	0	0	0	108.5	I227 G228 F246 W248 I251 V254 F261 I263 C294	I227-I234 HydrophobicContact CG2-CG2 3.67Å; G228-I234 WeakPolarHBondContact O-CA 3.44Å; G228-I234 WeakPolarHBondContact O-CG2 3.43Å; I234-F246 HydrophobicContact CB-CB 4.42Å; I234-F246 PolarHBondContact N-O 3.46Å; I234-F246 PolarHBondContact O-N 3.21Å; I234-W248 HydrophobicContact CD1-CH2 4.2Å; I234-W248 HydrophobicContact CD1-CZ3 3.97Å; I234-W248 HydrophobicContact CG1-CH2 3.64Å; I234-W248 HydrophobicContact CG1-CZ2 4.46Å; I234-W248 HydrophobicContact CG1-CZ3 3.76Å; I234-I251 HydrophobicContact CD1-CD1 4Å; I234-I251 HydrophobicContact CG1-CD1 4.21Å; I234-V254 HydrophobicContact CD1-CG1 4.46Å; I234-V254 HydrophobicContact CD1-CG2 4.11Å; I234-F261 HydrophobicContact CD1-CZ 4.21Å; I234-I263 HydrophobicContact CB-CD1 4.26Å; I234-I263 HydrophobicContact CD1-CD1 3.93Å; I234-I263 HydrophobicContact CD1-CG1 4.11Å; I234-I263 HydrophobicContact CG2-CD1 3.87Å; I234-C294 HydrophobicContact CD1-CB 4.49Å
235	L	95.5	Very high	93.2	Very high	9 Å²	9	40.2 Å²	40.2	5%	0.047	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	143.7	176.6	-55	-177.6	0	0	0	110.4	V211 I227 G228 L237 H244 R245	V211-L235 HydrophobicContact CG1-CD1 4.33Å; V211-L235 HydrophobicContact CG2-CD1 3.67Å; I227-L235 WeakPolarHBondContact CA-O 3.46Å; G228-L235 PolarHBondContact N-O 2.95Å; G228-L235 PolarHBondContact O-N 2.89Å; L235-L237 HydrophobicContact CB-CD2 4.05Å; L235-L237 HydrophobicContact CB-CG 4.43Å; L235-H244 WeakPolarHBondContact CA-O 3.41Å; L235-R245 HydrophobicContact CD2-CB 3.88Å; L235-R245 HydrophobicContact CD2-CG 3.8Å
236	I	95.9	Very high	93.1	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.015	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	126.4	169.2	-49	-62.1	0	0	0	107.4	V225 I227 L243 H244 F246 Y279	V225-I236 HydrophobicContact CB-CG2 3.98Å; V225-I236 HydrophobicContact CG1-CG2 4.2Å; V225-I236 HydrophobicContact CG2-CG2 4.11Å; I227-I236 HydrophobicContact CG1-CD1 4.06Å; I227-I236 HydrophobicContact CG2-CD1 4.33Å; I236-L243 PolarHBondContact O-N 3.46Å; I236-H244 HydrophobicContact CB-CB 4.15Å; I236-H244 HydrophobicContact CG1-CB 4.14Å; I236-H244 PolarHBondContact N-O 2.93Å; I236-H244 PolarHBondContact O-N 3.15Å; I236-F246 HydrophobicContact CD1-CE2 4.11Å; I236-F246 HydrophobicContact CG1-CD2 4.22Å; I236-F246 HydrophobicContact CG1-CE2 3.68Å; I236-Y279 HydrophobicContact CD1-CD2 4.44Å; I236-Y279 HydrophobicContact CD1-CE1 3.98Å; I236-Y279 HydrophobicContact CD1-CE2 3.76Å; I236-Y279 HydrophobicContact CG1-CE1 4.4Å; I236-Y279 WeakPolarHBondContact CG1-OH 3.38Å; I236-Y279 HydrophobicContact CG2-CE1 4.14Å
237	L	94.2	Very high	92.9	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.016	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	144.3	-171.1	-48.2	173.8	0	0	0	111.1	L208 L213 V225 S226 L235 L241 R242	L208-L237 HydrophobicContact CD2-CD1 3.66Å; L208-L237 HydrophobicContact CD2-CD2 4.26Å; L213-L237 HydrophobicContact CD2-CD1 3.42Å; L213-L237 VanDerWaalsContact CD2-CD1 3.42Å; V225-L237 CarbonylContact C-O 3.54Å; V225-L237 WeakPolarHBondContact CA-O 3.24Å; V225-L237 WeakPolarHBondContact CB-O 3.19Å; S226-L237 PolarHBondContact N-O 3.44Å; S226-L237 PolarHBondContact O-N 2.96Å; L235-L237 HydrophobicContact CB-CD2 4.05Å; L235-L237 HydrophobicContact CB-CG 4.43Å; L237-L241 WeakPolarHBondContact CA-O 3.2Å; L237-R242 HydrophobicContact CD2-CB 4.18Å; L237-R242 HydrophobicContact CD2-CG 4.49Å
238	S	91.7	Very high	92.7	Very high	34 Å²	34	40.4 Å²	40.4	24%	0.238	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	128	158.1	-162.8	0	0	0	0	107.1	F240 L241	S238-F240 PolarHBondContact O-N 3.21Å; S238-L241 PolarHBondContact N-O 3Å; S238-L241 WeakPolarHBondContact O-CA 3.33Å; S238-L241 VanDerWaalsContact O-CB 3.32Å; S238-L241 WeakPolarHBondContact O-CB 3.21Å; S238-L241 PolarHBondContact O-N 2.8Å
239	D	85.2	Confident	92.2	Very high	127 Å²	127	47 Å²	47	68%	0.679	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	43.1	172.7	-46.3	-65.7	0	0	0	113.1	L241	D239-L241 PolarHBondContact O-N 2.94Å; D239-L241 VanDerWaalsContact O-N 3.17Å
240	F	82.7	Confident	91.7	Very high	120 Å²	120	53.7 Å²	53.7	53%	0.526	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	-13	-174.1	-49	-75.5	0	0	0	116.8	L208 L213 S238	L208-F240 HydrophobicContact CD1-CB 4Å; L208-F240 HydrophobicContact CD1-CD1 3.63Å; L208-F240 HydrophobicContact CD1-CG 4.24Å; L213-F240 HydrophobicContact CD1-CE1 4.47Å; S238-F240 PolarHBondContact O-N 3.21Å
241	L	86.9	Confident	91.3	Very high	22 Å²	22	53.8 Å²	53.8	12%	0.115	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	135.4	173.9	-179.3	67.7	0	0	0	112.2	L237 S238 D239 L243 L537 A538	L237-L241 WeakPolarHBondContact CA-O 3.2Å; S238-L241 PolarHBondContact N-O 3Å; S238-L241 WeakPolarHBondContact O-CA 3.33Å; S238-L241 VanDerWaalsContact O-CB 3.32Å; S238-L241 WeakPolarHBondContact O-CB 3.21Å; S238-L241 PolarHBondContact O-N 2.8Å; D239-L241 PolarHBondContact O-N 2.94Å; D239-L241 VanDerWaalsContact O-N 3.17Å; L241-L243 PolarHBondContact O-N 3.39Å; L241-L537 HydrophobicContact CD1-CB 4.06Å; L241-L537 HydrophobicContact CD1-CD2 4.03Å; L241-L537 HydrophobicContact CD1-CG 3.96Å; L241-A538 HydrophobicContact CD1-CB 3.97Å; L241-A538 HydrophobicContact CD2-CB 3.86Å; L241-A538 HydrophobicContact CG-CB 4.49Å
242	R	91.9	Very high	90.7	Very high	64 Å²	64	55.4 Å²	55.4	24%	0.242	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	97	-179.9	-175.1	-176.3	74.1	-140.3	6	112.5	L237 D532 D534	L237-R242 HydrophobicContact CD2-CB 4.18Å; L237-R242 HydrophobicContact CD2-CG 4.49Å; R242-D532 VanDerWaalsContact NH2-CG 3.33Å; R242-D532 IonicContact NH2-OD1 2.66Å; R242-D532 PolarHBondContact NH2-OD1 3.26Å; R242-D532 IonicContact NH2-OD2 2.74Å; R242-D532 PolarHBondContact NH2-OD2 3.15Å; R242-D534 IonicContact CZ-OD1 3.79Å; R242-D534 VanDerWaalsContact CZ-OD1 3.23Å; R242-D534 IonicContact CZ-OD2 3.66Å; R242-D534 IonicContact NE-OD1 3.55Å; R242-D534 IonicContact NH1-OD1 2.67Å; R242-D534 PolarHBondContact NH1-OD1 3.4Å; R242-D534 IonicContact NH1-OD2 3.27Å; R242-D534 PolarHBondContact NH1-OD2 3.32Å; R242-D534 VanDerWaalsContact NH2-CG 3.3Å; R242-D534 IonicContact NH2-OD1 2.93Å; R242-D534 IonicContact NH2-OD2 2.74Å; R242-D534 PolarHBondContact NH2-OD2 3.49Å; R242-D534 VanDerWaalsContact NH2-OD2 3.09Å
243	L	91.4	Very high	90.4	Very high	83 Å²	83	53.8 Å²	53.8	44%	0.435	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	-50.8	173	-57.5	-175.8	0	0	0	111.9	V225 I236 L241	V225-L243 HydrophobicContact CG1-CD1 3.97Å; I236-L243 PolarHBondContact O-N 3.46Å; L241-L243 PolarHBondContact O-N 3.39Å
244	H	92.2	Very high	90.2	Very high	113 Å²	113	54.2 Å²	54.2	52%	0.523	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	151.3	-176.3	-68.6	-22.3	0	0	0	112.6	L235 I236 F246	L235-H244 WeakPolarHBondContact CA-O 3.41Å; I236-H244 HydrophobicContact CB-CB 4.15Å; I236-H244 HydrophobicContact CG1-CB 4.14Å; I236-H244 PolarHBondContact N-O 2.93Å; I236-H244 PolarHBondContact O-N 3.15Å; H244-F246 HydrophobicContact CB-CE2 4.47Å
245	R	93.8	Very high	90	Very high	128 Å²	128	55 Å²	55	48%	0.483	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	113.5	174.6	173.7	174.2	169.3	156	-0.2	110.5	D232 L235	D232-R245 IonicContact OD2-CZ 2.8Å; D232-R245 IonicContact OD2-NH1 2.82Å; D232-R245 PolarHBondContact OD2-NH1 3.43Å; D232-R245 IonicContact OD2-NH2 2.78Å; D232-R245 PolarHBondContact OD2-NH2 3.39Å; L235-R245 HydrophobicContact CD2-CB 3.88Å; L235-R245 HydrophobicContact CD2-CG 3.8Å
246	F	93.1	Very high	89.8	Confident	33 Å²	33	55.7 Å²	55.7	15%	0.145	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	93.5	170.6	-57.5	-72.7	0	0	0	109.1	G233 I234 I236 H244 I251 I263 V265 A277	G233-F246 VanDerWaalsContact CA-O 3.26Å; G233-F246 WeakPolarHBondContact CA-O 3.48Å; I234-F246 HydrophobicContact CB-CB 4.42Å; I234-F246 PolarHBondContact N-O 3.46Å; I234-F246 PolarHBondContact O-N 3.21Å; I236-F246 HydrophobicContact CD1-CE2 4.11Å; I236-F246 HydrophobicContact CG1-CD2 4.22Å; I236-F246 HydrophobicContact CG1-CE2 3.68Å; H244-F246 HydrophobicContact CB-CE2 4.47Å; F246-I251 HydrophobicContact CB-CD1 3.82Å; F246-I251 HydrophobicContact CB-CG1 4.08Å; F246-I251 WeakPolarHBondContact O-CD1 3.18Å; F246-I263 HydrophobicContact CB-CG2 4.41Å; F246-I263 HydrophobicContact CD2-CD1 3.47Å; F246-I263 VanDerWaalsContact CD2-CD1 3.47Å; F246-I263 HydrophobicContact CD2-CG2 4.48Å; F246-I263 HydrophobicContact CE2-CD1 3.69Å; F246-I263 HydrophobicContact CG-CD1 4.24Å; F246-I263 HydrophobicContact CG-CG2 4.25Å; F246-V265 HydrophobicContact CD1-CG1 3.89Å; F246-A277 HydrophobicContact CE1-CB 4.47Å; F246-A277 HydrophobicContact CE2-CB 4.35Å; F246-A277 HydrophobicContact CZ-CB 3.76Å
247	A	92.2	Very high	89.6	Confident	12 Å²	12	61.9 Å²	61.9	10%	0.099	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	140.3	177.5	0	0	0	0	0	111.3	D232 Q249 R250	D232-A247 WeakPolarHBondContact O-CA 3.48Å; A247-Q249 VanDerWaalsContact C-N 3.3Å; A247-Q249 PolarHBondContact O-N 3.24Å; A247-Q249 VanDerWaalsContact O-N 3.16Å; A247-R250 PolarHBondContact O-N 2.76Å
248	W	91.9	Very high	89.6	Confident	6 Å²	6	69.8 Å²	69.8	2%	0.023	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-51.7	-44.1	-168.3	-68.5	122.8	0	0	0	113.9	I229 C230 A231 D232 G233 I234 R250 I251 C294 H297 H298 R302	I229-W248 HydrophobicContact CG2-CH2 3.95Å; I229-W248 HydrophobicContact CG2-CZ2 3.72Å; C230-W248 PolarHBondContact O-NE1 3.26Å; A231-W248 PolarHBondContact O-NE1 2.86Å; D232-W248 PolarHBondContact O-N 2.59Å; D232-W248 VanDerWaalsContact O-N 3.15Å; G233-W248 VanDerWaalsContact CA-CE2 3.47Å; G233-W248 VanDerWaalsContact N-NE1 3.18Å; I234-W248 HydrophobicContact CD1-CH2 4.2Å; I234-W248 HydrophobicContact CD1-CZ3 3.97Å; I234-W248 HydrophobicContact CG1-CH2 3.64Å; I234-W248 HydrophobicContact CG1-CZ2 4.46Å; I234-W248 HydrophobicContact CG1-CZ3 3.76Å; W248-R250 PolarHBondContact O-N 3.32Å; W248-I251 HydrophobicContact CE3-CD1 3.84Å; W248-I251 HydrophobicContact CZ3-CD1 4.11Å; W248-I251 PolarHBondContact O-N 3.11Å; W248-C294 HydrophobicContact CH2-CB 4.16Å; W248-C294 HydrophobicContact CZ3-CB 4.48Å; W248-H297 HydrophobicContact CH2-CB 4.43Å; W248-H297 HydrophobicContact CZ2-CB 3.79Å; W248-H298 HydrophobicContact CD2-CB 4.37Å; W248-H298 AromaticContact CD2-CD2 3.96Å; W248-H298 HydrophobicContact CE3-CB 4.15Å; W248-H298 AromaticContact CE3-CD2 3.67Å; W248-H298 HydrophobicContact CH2-CB 4.49Å; W248-H298 HydrophobicContact CZ3-CB 4.21Å; W248-R302 HydrophobicContact CB-CG 4.07Å; W248-R302 HydrophobicContact CG-CG 4.3Å
249	Q	85.8	Confident	89.7	Confident	138 Å²	138	70.5 Å²	70.5	65%	0.645	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-64.4	-9.7	-179.2	75.6	-77.8	27.6	0	0	115	A247	A247-Q249 VanDerWaalsContact C-N 3.3Å; A247-Q249 PolarHBondContact O-N 3.24Å; A247-Q249 VanDerWaalsContact O-N 3.16Å
250	R	85.9	Confident	90.1	Very high	142 Å²	142	68.5 Å²	68.5	54%	0.536	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-101.7	-10.4	174	-57.6	179.2	93.1	170.5	6.9	112.9	A247 W248 V265 R266 S268	A247-R250 PolarHBondContact O-N 2.76Å; W248-R250 PolarHBondContact O-N 3.32Å; R250-V265 VanDerWaalsContact O-CA 3.25Å; R250-V265 WeakPolarHBondContact O-CA 3.17Å; R250-V265 VanDerWaalsContact O-CB 3.27Å; R250-V265 WeakPolarHBondContact O-CB 3.45Å; R250-V265 WeakPolarHBondContact O-CG1 3.18Å; R250-R266 PolarHBondContact O-N 2.85Å; R250-S268 PolarHBondContact NH2-OG 3.23Å
251	I	88.1	Confident	90.7	Very high	15 Å²	15	62.8 Å²	62.8	8%	0.077	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	120.6	-178.1	-58.5	171.2	0	0	0	109.9	I234 F246 W248 V254 I263 V265	I234-I251 HydrophobicContact CD1-CD1 4Å; I234-I251 HydrophobicContact CG1-CD1 4.21Å; F246-I251 HydrophobicContact CB-CD1 3.82Å; F246-I251 HydrophobicContact CB-CG1 4.08Å; F246-I251 WeakPolarHBondContact O-CD1 3.18Å; W248-I251 HydrophobicContact CE3-CD1 3.84Å; W248-I251 HydrophobicContact CZ3-CD1 4.11Å; W248-I251 PolarHBondContact O-N 3.11Å; I251-V254 HydrophobicContact CG2-CG2 3.55Å; I251-I263 HydrophobicContact CD1-CG2 4.11Å; I251-I263 HydrophobicContact CG1-CG2 4.03Å; I251-I263 HydrophobicContact CG2-CG2 4.08Å; I251-V265 HydrophobicContact CG1-CG1 3.97Å
252	Y	82.4	Confident	91.1	Very high	46 Å²	46	62.5 Å²	62.5	18%	0.18	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-18.6	177	77.7	-100.6	0	0	0	113.5	Q264 K274 F438 S439	Y252-Q264 HydrophobicContact CD1-CB 4.13Å; Y252-Q264 WeakPolarHBondContact CD1-O 3.46Å; Y252-Q264 HydrophobicContact CE1-CB 3.43Å; Y252-Q264 VanDerWaalsContact CE1-CB 3.43Å; Y252-Q264 HydrophobicContact CE2-CB 3.86Å; Y252-Q264 PolarHBondContact N-O 2.9Å; Y252-Q264 VanDerWaalsContact OH-CB 3.28Å; Y252-Q264 WeakPolarHBondContact OH-CB 3.49Å; Y252-Q264 PolarHBondContact OH-NE2 2.68Å; Y252-Q264 PolarHBondContact OH-OE1 3.06Å; Y252-K274 HydrophobicContact CE1-CB 4.04Å; Y252-K274 HydrophobicContact CE1-CD 4.14Å; Y252-K274 HydrophobicContact CE1-CG 3.67Å; Y252-K274 HydrophobicContact CE2-CD 4.47Å; Y252-K274 WeakPolarHBondContact OH-CD 3.38Å; Y252-F438 WeakPolarHBondContact O-CA 3.48Å; Y252-F438 WeakPolarHBondContact O-CB 3.28Å; Y252-S439 PolarHBondContact O-N 2.92Å
253	K	86.4	Confident	91.1	Very high	31 Å²	31	59.5 Å²	59.5	14%	0.135	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	132.2	175.3	177.2	169.5	172.9	179.6	0	111.2	Q264 E444 S447	K253-Q264 HydrophobicContact CB-CB 4.3Å; K253-Q264 HydrophobicContact CB-CG 4.35Å; K253-Q264 PolarHBondContact O-N 3.36Å; K253-E444 IonicContact NZ-OE2 3.63Å; K253-E444 PolarHBondContact NZ-OE2 2.98Å; K253-S447 WeakPolarHBondContact CD-OG 3.4Å; K253-S447 VanDerWaalsContact CE-OG 3.24Å; K253-S447 WeakPolarHBondContact CE-OG 3.3Å
254	V	91.3	Very high	91.1	Very high	9 Å²	9	57.5 Å²	57.5	6%	0.055	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	133.9	163.1	-171.8	0	0	0	0	108.1	I234 I251 F261 W291 C294	I234-V254 HydrophobicContact CD1-CG1 4.46Å; I234-V254 HydrophobicContact CD1-CG2 4.11Å; I251-V254 HydrophobicContact CG2-CG2 3.55Å; V254-F261 HydrophobicContact CG1-CD2 4.47Å; V254-F261 HydrophobicContact CG1-CE2 3.35Å; V254-F261 HydrophobicContact CG1-CZ 3.39Å; V254-W291 PolarHBondContact O-NE1 3.38Å; V254-C294 HydrophobicContact CG1-CB 4.07Å
255	S	91	Very high	90.9	Very high	18 Å²	18	53 Å²	53	13%	0.126	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	161.3	-174.3	52.9	0	0	0	0	112.4	S262 N446	S255-S262 PolarHBondContact N-O 3.42Å; S255-S262 PolarHBondContact O-N 3.09Å; S255-S262 PolarHBondContact OG-O 2.92Å; S255-N446 WeakPolarHBondContact CA-O 3.4Å; S255-N446 VanDerWaalsContact CB-O 3.3Å; S255-N446 WeakPolarHBondContact CB-O 3.35Å
256	Y	92	Very high	90.2	Very high	23 Å²	23	52.8 Å²	52.8	9%	0.09	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	149	170	78	-72.6	0	0	0	110.7	H260 A287 K288 W291 N446	Y256-H260 CarbonylContact C-O 3.58Å; Y256-H260 WeakPolarHBondContact CA-O 3.32Å; Y256-A287 HydrophobicContact CD2-CB 4.3Å; Y256-K288 HydrophobicContact CD2-CB 4.19Å; Y256-K288 HydrophobicContact CE1-CG 4.24Å; Y256-K288 HydrophobicContact CE2-CB 3.72Å; Y256-K288 HydrophobicContact CE2-CD 4.21Å; Y256-K288 HydrophobicContact CE2-CG 4.04Å; Y256-K288 WeakPolarHBondContact OH-CD 3.2Å; Y256-W291 HydrophobicContact CD1-CB 3.69Å; Y256-W291 AromaticContact CD1-CD1 3.97Å; Y256-W291 AromaticContact CD1-CD2 3.74Å; Y256-W291 HydrophobicContact CD1-CD2 3.74Å; Y256-W291 HydrophobicContact CD1-CE3 4.18Å; Y256-W291 AromaticContact CD1-CG 3.5Å; Y256-W291 HydrophobicContact CD1-CG 3.5Å; Y256-W291 HydrophobicContact CE1-CB 4.45Å; Y256-W291 AromaticContact CE1-CD2 3.86Å; Y256-W291 HydrophobicContact CE1-CD2 3.86Å; Y256-W291 AromaticContact CE1-CE3 3.86Å; Y256-W291 HydrophobicContact CE1-CE3 3.86Å; Y256-W291 HydrophobicContact CE1-CG 4.12Å; Y256-W291 HydrophobicContact CE1-CZ3 4.45Å; Y256-W291 HydrophobicContact CG-CB 4.24Å; Y256-W291 HydrophobicContact CG-CG 4.45Å; Y256-N446 HydrophobicContact CD1-CB 3.84Å; Y256-N446 HydrophobicContact CE1-CB 3.65Å; Y256-N446 WeakPolarHBondContact CE1-ND2 3.39Å; Y256-N446 WeakPolarHBondContact CE1-OD1 3.5Å; Y256-N446 VanDerWaalsContact CZ-CG 3.46Å; Y256-N446 VanDerWaalsContact CZ-OD1 3.23Å; Y256-N446 PolarHBondContact O-ND2 2.67Å; Y256-N446 PolarHBondContact OH-OD1 3.37Å
257	F	91.5	Very high	89.2	Confident	133 Å²	133	52.8 Å²	52.8	58%	0.583	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-145.5	122.5	172.1	179.5	-100.1	0	0	0	109.8	N259 H260	F257-N259 PolarHBondContact O-N 2.91Å; F257-H260 PolarHBondContact N-O 2.81Å; F257-H260 PolarHBondContact O-N 3.3Å
258	R	93.7	Very high	87.9	Confident	168 Å²	168	56.9 Å²	56.9	63%	0.634	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	-127.5	-165.5	-59.9	175.5	177	163.5	-1.3	109.1	T284	R258-T284 VanDerWaalsContact C-OG1 3.25Å; R258-T284 WeakPolarHBondContact O-CA 3.32Å; R258-T284 WeakPolarHBondContact O-CG2 3.13Å
259	N	94.4	Very high	86.4	Confident	50 Å²	50	60.7 Å²	60.7	27%	0.267	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-2.9	175.8	69.5	-56.2	0	0	0	114.1	F257 M281	F257-N259 PolarHBondContact O-N 2.91Å; N259-M281 WeakPolarHBondContact CB-O 3.41Å; N259-M281 PolarHBondContact ND2-O 2.96Å; N259-M281 VanDerWaalsContact O-CB 3.3Å; N259-M281 WeakPolarHBondContact O-CB 3.1Å; N259-M281 WeakPolarHBondContact O-CG 3.43Å; N259-M281 PolarHBondContact O-N 2.92Å
260	H	94.5	Very high	84.8	Confident	85 Å²	85	60.8 Å²	60.8	39%	0.394	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	130	176.1	-62.4	-77.6	0	0	0	111.1	Y256 F257 Y279	Y256-H260 CarbonylContact C-O 3.58Å; Y256-H260 WeakPolarHBondContact CA-O 3.32Å; F257-H260 PolarHBondContact N-O 2.81Å; F257-H260 PolarHBondContact O-N 3.3Å; H260-Y279 CarbonylContact C-O 3.59Å; H260-Y279 WeakPolarHBondContact CA-O 3.31Å
261	F	95	Very high	83.3	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	149.3	165.3	-178.8	-112.8	0	0	0	109.1	I227 I234 V254 I263 K278 Y279 M281 L290 W291	I227-F261 HydrophobicContact CD1-CD1 4.07Å; I234-F261 HydrophobicContact CD1-CZ 4.21Å; V254-F261 HydrophobicContact CG1-CD2 4.47Å; V254-F261 HydrophobicContact CG1-CE2 3.35Å; V254-F261 HydrophobicContact CG1-CZ 3.39Å; F261-I263 HydrophobicContact CD1-CG1 4.23Å; F261-I263 HydrophobicContact CE1-CD1 3.88Å; F261-I263 HydrophobicContact CE1-CG1 3.53Å; F261-I263 HydrophobicContact CZ-CG1 4.11Å; F261-K278 WeakPolarHBondContact O-CA 3.42Å; F261-Y279 HydrophobicContact CD1-CD2 4.2Å; F261-Y279 PolarHBondContact N-O 2.97Å; F261-Y279 PolarHBondContact O-N 3.2Å; F261-M281 HydrophobicContact CB-CG 4.3Å; F261-M281 HydrophobicContact CB-SD 4.3Å; F261-L290 HydrophobicContact CB-CD2 3.97Å; F261-L290 HydrophobicContact CD1-CD2 3.51Å; F261-L290 HydrophobicContact CD1-CG 4.34Å; F261-L290 HydrophobicContact CD2-CD2 3.72Å; F261-L290 HydrophobicContact CD2-CG 3.98Å; F261-L290 HydrophobicContact CE1-CD2 3.78Å; F261-L290 HydrophobicContact CE1-CG 4.19Å; F261-L290 HydrophobicContact CE2-CD2 3.98Å; F261-L290 HydrophobicContact CE2-CG 3.83Å; F261-L290 HydrophobicContact CG-CD2 3.46Å; F261-L290 VanDerWaalsContact CG-CD2 3.46Å; F261-L290 HydrophobicContact CG-CG 4.23Å; F261-L290 HydrophobicContact CZ-CD2 4.01Å; F261-L290 HydrophobicContact CZ-CG 3.94Å; F261-W291 HydrophobicContact CE2-CB 4.32Å
262	S	93.6	Very high	82	Confident	16 Å²	16	65.5 Å²	65.5	11%	0.112	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	124.3	-178.2	-63.2	0	0	0	0	112.3	S255 A277	S255-S262 PolarHBondContact N-O 3.42Å; S255-S262 PolarHBondContact O-N 3.09Å; S255-S262 PolarHBondContact OG-O 2.92Å; S262-A277 WeakPolarHBondContact CA-O 3.25Å
263	I	93.4	Very high	81.2	Confident	1 Å²	1	72.4 Å²	72.4	1%	0.005	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	131.1	176.4	-48.6	170.8	0	0	0	107.3	I234 F246 I251 F261 V265 T276 A277 Y279	I234-I263 HydrophobicContact CB-CD1 4.26Å; I234-I263 HydrophobicContact CD1-CD1 3.93Å; I234-I263 HydrophobicContact CD1-CG1 4.11Å; I234-I263 HydrophobicContact CG2-CD1 3.87Å; F246-I263 HydrophobicContact CB-CG2 4.41Å; F246-I263 HydrophobicContact CD2-CD1 3.47Å; F246-I263 VanDerWaalsContact CD2-CD1 3.47Å; F246-I263 HydrophobicContact CD2-CG2 4.48Å; F246-I263 HydrophobicContact CE2-CD1 3.69Å; F246-I263 HydrophobicContact CG-CD1 4.24Å; F246-I263 HydrophobicContact CG-CG2 4.25Å; I251-I263 HydrophobicContact CD1-CG2 4.11Å; I251-I263 HydrophobicContact CG1-CG2 4.03Å; I251-I263 HydrophobicContact CG2-CG2 4.08Å; F261-I263 HydrophobicContact CD1-CG1 4.23Å; F261-I263 HydrophobicContact CE1-CD1 3.88Å; F261-I263 HydrophobicContact CE1-CG1 3.53Å; F261-I263 HydrophobicContact CZ-CG1 4.11Å; I263-V265 HydrophobicContact CG2-CG1 4.27Å; I263-T276 CarbonylContact O-C 3.58Å; I263-T276 WeakPolarHBondContact O-CA 3.41Å; I263-A277 PolarHBondContact N-O 3.22Å; I263-A277 PolarHBondContact O-N 3.25Å; I263-Y279 HydrophobicContact CD1-CE2 4.1Å
264	Q	90.9	Very high	80.7	Confident	40 Å²	40	77.4 Å²	77.4	19%	0.187	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	128	176.1	-44.3	-163.1	-63.5	0	0	111.6	Y252 K253 V275 T276	Y252-Q264 HydrophobicContact CD1-CB 4.13Å; Y252-Q264 WeakPolarHBondContact CD1-O 3.46Å; Y252-Q264 HydrophobicContact CE1-CB 3.43Å; Y252-Q264 VanDerWaalsContact CE1-CB 3.43Å; Y252-Q264 HydrophobicContact CE2-CB 3.86Å; Y252-Q264 PolarHBondContact N-O 2.9Å; Y252-Q264 VanDerWaalsContact OH-CB 3.28Å; Y252-Q264 WeakPolarHBondContact OH-CB 3.49Å; Y252-Q264 PolarHBondContact OH-NE2 2.68Å; Y252-Q264 PolarHBondContact OH-OE1 3.06Å; K253-Q264 HydrophobicContact CB-CB 4.3Å; K253-Q264 HydrophobicContact CB-CG 4.35Å; K253-Q264 PolarHBondContact O-N 3.36Å; Q264-V275 WeakPolarHBondContact CA-O 3.49Å; Q264-T276 HydrophobicContact CG-CG2 4.06Å; Q264-T276 PolarHBondContact NE2-OG1 3.26Å
265	V	89	Confident	80.5	Confident	20 Å²	20	80.3 Å²	80.3	12%	0.121	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	157.7	-176.6	-58.3	0	0	0	0	111.6	F246 R250 I251 I263 V275	F246-V265 HydrophobicContact CD1-CG1 3.89Å; R250-V265 VanDerWaalsContact O-CA 3.25Å; R250-V265 WeakPolarHBondContact O-CA 3.17Å; R250-V265 VanDerWaalsContact O-CB 3.27Å; R250-V265 WeakPolarHBondContact O-CB 3.45Å; R250-V265 WeakPolarHBondContact O-CG1 3.18Å; I251-V265 HydrophobicContact CG1-CG1 3.97Å; I263-V265 HydrophobicContact CG2-CG1 4.27Å; V265-V275 HydrophobicContact CG2-CB 3.86Å; V265-V275 HydrophobicContact CG2-CG1 4.36Å; V265-V275 PolarHBondContact N-O 3.01Å; V265-V275 PolarHBondContact O-N 3.26Å
266	R	77.4	Confident	80.4	Confident	122 Å²	122	82 Å²	82	46%	0.46	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	130.3	174.3	-162.5	178.1	-166.5	166.9	0.8	109.4	R250 N272	R250-R266 PolarHBondContact O-N 2.85Å; R266-N272 PolarHBondContact NE-OD1 3.39Å; R266-N272 PolarHBondContact NH2-OD1 3.32Å
267	S	72	Confident	80.4	Confident	34 Å²	34	81.9 Å²	81.9	24%	0.238	41%	0.411	C	S	.	.			trans	-62.8	133.9	168.7	-177.3	0	0	0	0	110	S269 R273	S267-S269 VanDerWaalsContact C-N 3.31Å; S267-S269 WeakPolarHBondContact CB-O 3.38Å; S267-S269 PolarHBondContact OG-N 2.84Å; S267-S269 VanDerWaalsContact OG-N 3.13Å; S267-S269 PolarHBondContact OG-O 3.19Å; S267-R273 VanDerWaalsContact CB-O 3.23Å; S267-R273 WeakPolarHBondContact CB-O 3.25Å; S267-R273 PolarHBondContact N-O 2.86Å
268	S	66.7	Low	80.6	Confident	98 Å²	98	81.7 Å²	81.7	69%	0.685	41%	0.41	S	S	*	.	S	Bend	trans	-78.9	-15.9	168.5	-67.3	0	0	0	0	112.6	R250	R250-S268 PolarHBondContact NH2-OG 3.23Å
269	S	59.5	Low	80.7	Confident	86 Å²	86	74.4 Å²	74.4	60%	0.601	38%	0.383	S	S	*	.	S	Bend	trans	-99.6	120	171.7	-177.6	0	0	0	0	110.7	S267	S267-S269 VanDerWaalsContact C-N 3.31Å; S267-S269 WeakPolarHBondContact CB-O 3.38Å; S267-S269 PolarHBondContact OG-N 2.84Å; S267-S269 VanDerWaalsContact OG-N 3.13Å; S267-S269 PolarHBondContact OG-O 3.19Å
270	N	53.2	Low	80.8	Confident	140 Å²	140	73.3 Å²	73.3	75%	0.749	38%	0.38	S	S	*	.	S	Bend	trans	56.5	136.2	177.3	-73.5	-21.8	0	0	0	118.9	N272	N270-N272 PolarHBondContact O-N 2.82Å
271	N	52.9	Low	80.9	Confident	156 Å²	156	69.4 Å²	69.4	83%	0.834	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-31.6	117.1	-169.7	-106.7	-32.4	0	0	0	116.3	R273	N271-R273 PolarHBondContact O-N 3.1Å
272	N	60.9	Low	80.8	Confident	99 Å²	99	78.3 Å²	78.3	53%	0.529	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	11.5	163.8	-65.4	-18.3	0	0	0	118.2	R266 N270 K274	R266-N272 PolarHBondContact NE-OD1 3.39Å; R266-N272 PolarHBondContact NH2-OD1 3.32Å; N270-N272 PolarHBondContact O-N 2.82Å; N272-K274 PolarHBondContact O-N 3.44Å; N272-K274 VanDerWaalsContact O-N 3.16Å
273	R	65.9	Low	80.8	Confident	191 Å²	191	79.9 Å²	79.9	72%	0.721	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-64.8	119.1	173.8	-170.8	169.1	-178.6	150.6	-1.4	110.4	S267 N271	S267-R273 VanDerWaalsContact CB-O 3.23Å; S267-R273 WeakPolarHBondContact CB-O 3.25Å; S267-R273 PolarHBondContact N-O 2.86Å; N271-R273 PolarHBondContact O-N 3.1Å
274	K	76.7	Confident	80.8	Confident	137 Å²	137	83.2 Å²	83.2	60%	0.596	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	122.4	178.3	-71.2	167.7	164.2	178.7	0	109.7	Y252 N272	Y252-K274 HydrophobicContact CE1-CB 4.04Å; Y252-K274 HydrophobicContact CE1-CD 4.14Å; Y252-K274 HydrophobicContact CE1-CG 3.67Å; Y252-K274 HydrophobicContact CE2-CD 4.47Å; Y252-K274 WeakPolarHBondContact OH-CD 3.38Å; N272-K274 PolarHBondContact O-N 3.44Å; N272-K274 VanDerWaalsContact O-N 3.16Å
275	V	85.5	Confident	80.8	Confident	70 Å²	70	85.8 Å²	85.8	42%	0.424	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	139	171.9	-179.3	0	0	0	0	108	Q264 V265	Q264-V275 WeakPolarHBondContact CA-O 3.49Å; V265-V275 HydrophobicContact CG2-CB 3.86Å; V265-V275 HydrophobicContact CG2-CG1 4.36Å; V265-V275 PolarHBondContact N-O 3.01Å; V265-V275 PolarHBondContact O-N 3.26Å
276	T	89.9	Confident	81	Confident	53 Å²	53	86.6 Å²	86.6	33%	0.325	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	109.6	178.7	-62.6	0	0	0	0	109.7	I263 Q264 K278	I263-T276 CarbonylContact O-C 3.58Å; I263-T276 WeakPolarHBondContact O-CA 3.41Å; Q264-T276 HydrophobicContact CG-CG2 4.06Å; Q264-T276 PolarHBondContact NE2-OG1 3.26Å; T276-K278 HydrophobicContact CG2-CG 3.94Å
277	A	92.3	Very high	81.7	Confident	20 Å²	20	80.8 Å²	80.8	17%	0.165	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	138	167.3	0	0	0	0	0	109	F246 S262 I263 Y279	F246-A277 HydrophobicContact CE1-CB 4.47Å; F246-A277 HydrophobicContact CE2-CB 4.35Å; F246-A277 HydrophobicContact CZ-CB 3.76Å; S262-A277 WeakPolarHBondContact CA-O 3.25Å; I263-A277 PolarHBondContact N-O 3.22Å; I263-A277 PolarHBondContact O-N 3.25Å; A277-Y279 HydrophobicContact CB-CE2 3.7Å
278	K	94.6	Very high	82.7	Confident	129 Å²	129	82.9 Å²	82.9	56%	0.561	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.3	139.1	179.4	-59.9	-167.7	178	176.6	0	109.7	F261 T276	F261-K278 WeakPolarHBondContact O-CA 3.42Å; T276-K278 HydrophobicContact CG2-CG 3.94Å
279	Y	96.5	Very high	83.9	Confident	15 Å²	15	81.3 Å²	81.3	6%	0.059	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	132.2	179.6	-57	-82.2	0	0	0	109.4	K218 D219 V225 I227 I236 H260 F261 I263 A277	K218-Y279 CarbonylContact O-C 3.44Å; K218-Y279 VanDerWaalsContact O-CA 3.23Å; K218-Y279 WeakPolarHBondContact O-CA 3.07Å; D219-Y279 HydrophobicContact CB-CD1 4.3Å; D219-Y279 HydrophobicContact CB-CE1 4.23Å; V225-Y279 HydrophobicContact CG2-CD1 3.96Å; V225-Y279 HydrophobicContact CG2-CE1 4.24Å; I227-Y279 HydrophobicContact CD1-CD1 4.4Å; I227-Y279 HydrophobicContact CD1-CD2 4.12Å; I227-Y279 HydrophobicContact CD1-CG 3.84Å; I236-Y279 HydrophobicContact CD1-CD2 4.44Å; I236-Y279 HydrophobicContact CD1-CE1 3.98Å; I236-Y279 HydrophobicContact CD1-CE2 3.76Å; I236-Y279 HydrophobicContact CG1-CE1 4.4Å; I236-Y279 WeakPolarHBondContact CG1-OH 3.38Å; I236-Y279 HydrophobicContact CG2-CE1 4.14Å; H260-Y279 CarbonylContact C-O 3.59Å; H260-Y279 WeakPolarHBondContact CA-O 3.31Å; F261-Y279 HydrophobicContact CD1-CD2 4.2Å; F261-Y279 PolarHBondContact N-O 2.97Å; F261-Y279 PolarHBondContact O-N 3.2Å; I263-Y279 HydrophobicContact CD1-CE2 4.1Å; A277-Y279 HydrophobicContact CB-CE2 3.7Å
280	A	96.8	Very high	85.6	Confident	27 Å²	27	77.2 Å²	77.2	22%	0.223	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	103.6	176.3	0	0	0	0	0	109.6	A217 K218	A217-A280 CarbonylContact C-O 3.52Å; A217-A280 WeakPolarHBondContact CA-O 3.35Å; K218-A280 HydrophobicContact CB-CB 4.43Å; K218-A280 PolarHBondContact N-O 2.99Å; K218-A280 PolarHBondContact O-N 3.35Å
281	M	95.3	Very high	87.5	Confident	4 Å²	4	71.3 Å²	71.3	2%	0.02	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	159.6	172.7	-49	-54.7	-61.7	0	0	110.3	G215 A217 I227 N259 F261 N283 E286 A287 L290	G215-M281 VanDerWaalsContact O-CE 3.22Å; G215-M281 WeakPolarHBondContact O-CE 3.32Å; A217-M281 HydrophobicContact CB-CE 4.06Å; A217-M281 HydrophobicContact CB-SD 3.51Å; A217-M281 VanDerWaalsContact CB-SD 3.51Å; I227-M281 HydrophobicContact CD1-SD 4Å; N259-M281 WeakPolarHBondContact CB-O 3.41Å; N259-M281 PolarHBondContact ND2-O 2.96Å; N259-M281 VanDerWaalsContact O-CB 3.3Å; N259-M281 WeakPolarHBondContact O-CB 3.1Å; N259-M281 WeakPolarHBondContact O-CG 3.43Å; N259-M281 PolarHBondContact O-N 2.92Å; F261-M281 HydrophobicContact CB-CG 4.3Å; F261-M281 HydrophobicContact CB-SD 4.3Å; M281-N283 PolarHBondContact O-N 3.24Å; M281-E286 HydrophobicContact CB-CB 4.5Å; M281-A287 HydrophobicContact CB-CB 4.17Å; M281-A287 HydrophobicContact CG-CB 3.69Å; M281-L290 HydrophobicContact CE-CD2 3.91Å; M281-L290 HydrophobicContact SD-CD2 3.6Å; M281-L290 VanDerWaalsContact SD-CD2 3.6Å
282	R	93.5	Very high	89.4	Confident	186 Å²	186	67 Å²	67	70%	0.702	32%	0.316	S	S	*	.	S	Bend	trans	-54.3	-32.2	173.1	-178.2	177.3	68.8	159.8	1.6	114	E286	R282-E286 WeakPolarHBondContact CB-OE2 3.49Å; R282-E286 IonicContact CZ-OE1 2.67Å; R282-E286 IonicContact CZ-OE2 2.88Å; R282-E286 IonicContact NE-OE1 3.09Å; R282-E286 PolarHBondContact NE-OE1 2.98Å; R282-E286 IonicContact NE-OE2 3.14Å; R282-E286 PolarHBondContact NE-OE2 2.9Å; R282-E286 IonicContact NH2-OE1 3.23Å; R282-E286 PolarHBondContact NH2-OE1 3.18Å; R282-E286 IonicContact NH2-OE2 2.98Å; R282-E286 PolarHBondContact NH2-OE2 2.81Å
283	N	93.1	Very high	90.9	Very high	49 Å²	49	62.7 Å²	62.7	26%	0.262	29%	0.294	S	S	.	.	S	Bend	trans	-161.8	167.7	174.7	62	75.2	0	0	0	114.1	M281 R285 E286 A287	M281-N283 PolarHBondContact O-N 3.24Å; N283-R285 VanDerWaalsContact C-N 3.3Å; N283-R285 PolarHBondContact O-N 2.93Å; N283-R285 WeakPolarHBondContact OD1-CA 3.48Å; N283-R285 WeakPolarHBondContact OD1-CB 3.33Å; N283-R285 PolarHBondContact OD1-N 2.78Å; N283-E286 PolarHBondContact ND2-OE1 3.03Å; N283-E286 PolarHBondContact ND2-OE2 3.01Å; N283-E286 PolarHBondContact O-N 2.82Å; N283-E286 PolarHBondContact OD1-N 2.85Å; N283-A287 PolarHBondContact O-N 3.37Å; N283-A287 VanDerWaalsContact O-N 3.08Å
284	T	93.8	Very high	92.3	Very high	72 Å²	72	53.7 Å²	53.7	44%	0.442	26%	0.26	S	S	.	.	H	α-helix	trans	-59.4	-30	178.5	-52.5	0	0	0	0	114.6	R258 K288	R258-T284 VanDerWaalsContact C-OG1 3.25Å; R258-T284 WeakPolarHBondContact O-CA 3.32Å; R258-T284 WeakPolarHBondContact O-CG2 3.13Å; T284-K288 WeakPolarHBondContact O-CB 3.42Å; T284-K288 PolarHBondContact O-N 2.82Å
285	R	91.3	Very high	92.9	Very high	94 Å²	94	47.2 Å²	47.2	36%	0.355	23%	0.232	S	C	.	.	H	α-helix	trans	-70.4	-42.8	177.4	164.4	179.5	156.6	169.9	-7	110.2	D69 N283 K288 V289	D69-R285 IonicContact OD1-NH2 3.68Å; D69-R285 IonicContact OD2-CZ 3.97Å; D69-R285 IonicContact OD2-NH1 2.64Å; D69-R285 PolarHBondContact OD2-NH1 3.27Å; D69-R285 IonicContact OD2-NH2 2.65Å; D69-R285 PolarHBondContact OD2-NH2 3.4Å; N283-R285 VanDerWaalsContact C-N 3.3Å; N283-R285 PolarHBondContact O-N 2.93Å; N283-R285 WeakPolarHBondContact OD1-CA 3.48Å; N283-R285 WeakPolarHBondContact OD1-CB 3.33Å; N283-R285 PolarHBondContact OD1-N 2.78Å; R285-K288 PolarHBondContact O-N 3.43Å; R285-V289 VanDerWaalsContact O-CG2 3.32Å; R285-V289 WeakPolarHBondContact O-CG2 3.25Å; R285-V289 PolarHBondContact O-N 3.46Å
286	E	92.5	Very high	93.2	Very high	37 Å²	37	44.3 Å²	44.3	17%	0.173	22%	0.215	C	C	.	.	H	α-helix	trans	-66.8	-43.5	175.8	-83.3	143	-128	0	0	112	M281 R282 N283 K288 V289 L290	M281-E286 HydrophobicContact CB-CB 4.5Å; R282-E286 WeakPolarHBondContact CB-OE2 3.49Å; R282-E286 IonicContact CZ-OE1 2.67Å; R282-E286 IonicContact CZ-OE2 2.88Å; R282-E286 IonicContact NE-OE1 3.09Å; R282-E286 PolarHBondContact NE-OE1 2.98Å; R282-E286 IonicContact NE-OE2 3.14Å; R282-E286 PolarHBondContact NE-OE2 2.9Å; R282-E286 IonicContact NH2-OE1 3.23Å; R282-E286 PolarHBondContact NH2-OE1 3.18Å; R282-E286 IonicContact NH2-OE2 2.98Å; R282-E286 PolarHBondContact NH2-OE2 2.81Å; N283-E286 PolarHBondContact ND2-OE1 3.03Å; N283-E286 PolarHBondContact ND2-OE2 3.01Å; N283-E286 PolarHBondContact O-N 2.82Å; N283-E286 PolarHBondContact OD1-N 2.85Å; E286-K288 VanDerWaalsContact C-N 3.29Å; E286-K288 PolarHBondContact O-N 3.04Å; E286-V289 PolarHBondContact O-N 3.48Å; E286-V289 VanDerWaalsContact O-N 3.12Å; E286-L290 WeakPolarHBondContact O-CB 3.3Å; E286-L290 PolarHBondContact O-N 2.7Å
287	A	93.7	Very high	93.4	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.4	-38.4	173.2	0	0	0	0	0	113.1	Y256 M281 N283 W291	Y256-A287 HydrophobicContact CD2-CB 4.3Å; M281-A287 HydrophobicContact CB-CB 4.17Å; M281-A287 HydrophobicContact CG-CB 3.69Å; N283-A287 PolarHBondContact O-N 3.37Å; N283-A287 VanDerWaalsContact O-N 3.08Å; A287-W291 WeakPolarHBondContact O-CB 3.36Å; A287-W291 PolarHBondContact O-N 3.31Å
288	K	92.1	Very high	93.4	Very high	77 Å²	77	41.8 Å²	41.8	34%	0.335	20%	0.196	S	C	.	.	H	α-helix	trans	-72.1	-33	175.4	-172.4	167.4	-173.9	163.3	0	113.3	Y256 T284 R285 E286 K292	Y256-K288 HydrophobicContact CD2-CB 4.19Å; Y256-K288 HydrophobicContact CE1-CG 4.24Å; Y256-K288 HydrophobicContact CE2-CB 3.72Å; Y256-K288 HydrophobicContact CE2-CD 4.21Å; Y256-K288 HydrophobicContact CE2-CG 4.04Å; Y256-K288 WeakPolarHBondContact OH-CD 3.2Å; T284-K288 WeakPolarHBondContact O-CB 3.42Å; T284-K288 PolarHBondContact O-N 2.82Å; R285-K288 PolarHBondContact O-N 3.43Å; E286-K288 VanDerWaalsContact C-N 3.29Å; E286-K288 PolarHBondContact O-N 3.04Å; K288-K292 WeakPolarHBondContact O-CB 3.49Å; K288-K292 WeakPolarHBondContact O-CG 3.39Å; K288-K292 PolarHBondContact O-N 2.89Å
289	V	91.9	Very high	93.2	Very high	66 Å²	66	35.7 Å²	35.7	40%	0.4	17%	0.17	S	C	.	.	H	α-helix	trans	-70.8	-47.5	175.7	166.5	0	0	0	0	110.7	R285 E286 W291 K292 S293	R285-V289 VanDerWaalsContact O-CG2 3.32Å; R285-V289 WeakPolarHBondContact O-CG2 3.25Å; R285-V289 PolarHBondContact O-N 3.46Å; E286-V289 PolarHBondContact O-N 3.48Å; E286-V289 VanDerWaalsContact O-N 3.12Å; V289-W291 PolarHBondContact O-N 2.94Å; V289-K292 WeakPolarHBondContact O-CB 3.15Å; V289-K292 PolarHBondContact O-N 3.2Å; V289-S293 PolarHBondContact O-N 3.12Å
290	L	94.5	Very high	93	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-54.8	-51.6	173.5	173.2	65.3	0	0	0	110.9	H214 I227 I229 F261 M281 E286 K292 S293 C294	H214-L290 HydrophobicContact CB-CD1 3.91Å; H214-L290 WeakPolarHBondContact CD2-CD1 3.24Å; I227-L290 HydrophobicContact CB-CD1 4.2Å; I227-L290 HydrophobicContact CB-CD2 4.4Å; I227-L290 HydrophobicContact CD1-CD2 3.77Å; I227-L290 HydrophobicContact CG2-CD1 3.7Å; I227-L290 HydrophobicContact CG2-CD2 4.25Å; I229-L290 HydrophobicContact CD1-CD1 3.9Å; I229-L290 HydrophobicContact CG1-CD1 4.3Å; F261-L290 HydrophobicContact CB-CD2 3.97Å; F261-L290 HydrophobicContact CD1-CD2 3.51Å; F261-L290 HydrophobicContact CD1-CG 4.34Å; F261-L290 HydrophobicContact CD2-CD2 3.72Å; F261-L290 HydrophobicContact CD2-CG 3.98Å; F261-L290 HydrophobicContact CE1-CD2 3.78Å; F261-L290 HydrophobicContact CE1-CG 4.19Å; F261-L290 HydrophobicContact CE2-CD2 3.98Å; F261-L290 HydrophobicContact CE2-CG 3.83Å; F261-L290 HydrophobicContact CG-CD2 3.46Å; F261-L290 VanDerWaalsContact CG-CD2 3.46Å; F261-L290 HydrophobicContact CG-CG 4.23Å; F261-L290 HydrophobicContact CZ-CD2 4.01Å; F261-L290 HydrophobicContact CZ-CG 3.94Å; M281-L290 HydrophobicContact CE-CD2 3.91Å; M281-L290 HydrophobicContact SD-CD2 3.6Å; M281-L290 VanDerWaalsContact SD-CD2 3.6Å; E286-L290 WeakPolarHBondContact O-CB 3.3Å; E286-L290 PolarHBondContact O-N 2.7Å; L290-K292 PolarHBondContact O-N 2.97Å; L290-S293 PolarHBondContact O-N 3.44Å; L290-S293 VanDerWaalsContact O-N 3.08Å; L290-C294 PolarHBondContact O-N 3.17Å; L290-C294 PolarHBondContact O-SG 2.66Å; L290-C294 VanDerWaalsContact O-SG 3.32Å
291	W	93.8	Very high	92.8	Very high	15 Å²	15	34.3 Å²	34.3	6%	0.057	16%	0.159	C	C	.	.	H	α-helix	trans	-58	-44.2	176	177.5	84.8	0	0	0	113	V254 Y256 F261 A287 V289 S293 C294 V295 F322 N446	V254-W291 PolarHBondContact O-NE1 3.38Å; Y256-W291 HydrophobicContact CD1-CB 3.69Å; Y256-W291 AromaticContact CD1-CD1 3.97Å; Y256-W291 AromaticContact CD1-CD2 3.74Å; Y256-W291 HydrophobicContact CD1-CD2 3.74Å; Y256-W291 HydrophobicContact CD1-CE3 4.18Å; Y256-W291 AromaticContact CD1-CG 3.5Å; Y256-W291 HydrophobicContact CD1-CG 3.5Å; Y256-W291 HydrophobicContact CE1-CB 4.45Å; Y256-W291 AromaticContact CE1-CD2 3.86Å; Y256-W291 HydrophobicContact CE1-CD2 3.86Å; Y256-W291 AromaticContact CE1-CE3 3.86Å; Y256-W291 HydrophobicContact CE1-CE3 3.86Å; Y256-W291 HydrophobicContact CE1-CG 4.12Å; Y256-W291 HydrophobicContact CE1-CZ3 4.45Å; Y256-W291 HydrophobicContact CG-CB 4.24Å; Y256-W291 HydrophobicContact CG-CG 4.45Å; F261-W291 HydrophobicContact CE2-CB 4.32Å; A287-W291 WeakPolarHBondContact O-CB 3.36Å; A287-W291 PolarHBondContact O-N 3.31Å; V289-W291 PolarHBondContact O-N 2.94Å; W291-S293 VanDerWaalsContact C-N 3.29Å; W291-S293 PolarHBondContact O-N 3.4Å; W291-C294 PolarHBondContact O-N 3.13Å; W291-V295 HydrophobicContact CD2-CG2 4.03Å; W291-V295 HydrophobicContact CE3-CG2 4.23Å; W291-V295 HydrophobicContact CH2-CG2 4.08Å; W291-V295 HydrophobicContact CZ2-CG2 3.87Å; W291-V295 HydrophobicContact CZ3-CG2 4.25Å; W291-V295 WeakPolarHBondContact O-CG2 3.29Å; W291-V295 PolarHBondContact O-N 3.36Å; W291-F322 HydrophobicContact CH2-CB 4.15Å; W291-F322 HydrophobicContact CH2-CD1 4.37Å; W291-F322 HydrophobicContact CZ3-CB 3.95Å; W291-F322 AromaticContact CZ3-CD1 3.94Å; W291-F322 HydrophobicContact CZ3-CD1 3.94Å; W291-F322 HydrophobicContact CZ3-CG 4.31Å; W291-N446 PolarHBondContact NE1-O 3.09Å
292	K	91.9	Very high	92.5	Very high	65 Å²	65	35.8 Å²	35.8	28%	0.283	16%	0.164	S	C	.	.	H	α-helix	trans	-59.2	-38.5	174.4	-89.7	-158.2	168.9	-154.2	0	112.5	D78 K288 V289 L290 V295 A296 F322	D78-K292 IonicContact OD2-NZ 2.88Å; K288-K292 WeakPolarHBondContact O-CB 3.49Å; K288-K292 WeakPolarHBondContact O-CG 3.39Å; K288-K292 PolarHBondContact O-N 2.89Å; V289-K292 WeakPolarHBondContact O-CB 3.15Å; V289-K292 PolarHBondContact O-N 3.2Å; L290-K292 PolarHBondContact O-N 2.97Å; K292-V295 WeakPolarHBondContact O-CB 3.37Å; K292-V295 PolarHBondContact O-N 2.79Å; K292-A296 WeakPolarHBondContact O-CB 3.41Å; K292-A296 PolarHBondContact O-N 3.28Å; K292-F322 HydrophobicContact CB-CE1 4.02Å; K292-F322 HydrophobicContact CB-CZ 4.34Å; K292-F322 HydrophobicContact CD-CD1 4.37Å; K292-F322 HydrophobicContact CD-CD2 4.12Å; K292-F322 HydrophobicContact CD-CE1 4.12Å; K292-F322 HydrophobicContact CD-CE2 3.86Å; K292-F322 HydrophobicContact CD-CG 4.37Å; K292-F322 HydrophobicContact CD-CZ 3.85Å; K292-F322 VanDerWaalsContact CE-CE2 3.48Å; K292-F322 HydrophobicContact CG-CD1 3.8Å; K292-F322 HydrophobicContact CG-CD2 4.41Å; K292-F322 HydrophobicContact CG-CE1 3.7Å; K292-F322 HydrophobicContact CG-CE2 4.33Å; K292-F322 HydrophobicContact CG-CG 4.16Å; K292-F322 HydrophobicContact CG-CZ 3.98Å; K292-F322 VanDerWaalsContact NZ-CE2 3.25Å
293	S	93.3	Very high	92	Very high	10 Å²	10	26.9 Å²	26.9	7%	0.07	13%	0.131	C	C	.	.	H	α-helix	trans	-72.1	-37.8	179.2	-169.1	0	0	0	0	111.9	E212 H214 V289 L290 W291 V295 A296 H297	E212-S293 VanDerWaalsContact OE1-CB 3.24Å; E212-S293 WeakPolarHBondContact OE1-CB 3.3Å; E212-S293 PolarHBondContact OE1-OG 2.99Å; H214-S293 WeakPolarHBondContact NE2-CB 3.43Å; V289-S293 PolarHBondContact O-N 3.12Å; L290-S293 PolarHBondContact O-N 3.44Å; L290-S293 VanDerWaalsContact O-N 3.08Å; W291-S293 VanDerWaalsContact C-N 3.29Å; W291-S293 PolarHBondContact O-N 3.4Å; S293-V295 VanDerWaalsContact C-N 3.32Å; S293-V295 PolarHBondContact O-N 2.96Å; S293-A296 PolarHBondContact O-N 2.85Å; S293-H297 PolarHBondContact O-N 3.2Å; S293-H297 PolarHBondContact O-ND1 3.32Å; S293-H297 PolarHBondContact OG-CE1 2.89Å; S293-H297 PolarHBondContact OG-ND1 2.61Å
294	C	94.1	Very high	91.5	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.007	13%	0.128	C	C	.	.	H	α-helix	trans	-60.3	-42.7	171.2	-59.8	0	0	0	0	111.6	I229 I234 W248 V254 L290 W291 H298	I229-C294 HydrophobicContact CD1-CB 4.32Å; I229-C294 WeakPolarHBondContact CD1-SG 3.28Å; I234-C294 HydrophobicContact CD1-CB 4.49Å; W248-C294 HydrophobicContact CH2-CB 4.16Å; W248-C294 HydrophobicContact CZ3-CB 4.48Å; V254-C294 HydrophobicContact CG1-CB 4.07Å; L290-C294 PolarHBondContact O-N 3.17Å; L290-C294 PolarHBondContact O-SG 2.66Å; L290-C294 VanDerWaalsContact O-SG 3.32Å; W291-C294 PolarHBondContact O-N 3.13Å; C294-H298 VanDerWaalsContact O-CB 3.28Å; C294-H298 WeakPolarHBondContact O-CB 3.19Å; C294-H298 PolarHBondContact O-N 2.95Å
295	V	90.8	Very high	90.7	Very high	2 Å²	2	25 Å²	25	1%	0.012	12%	0.121	C	C	.	.	H	α-helix	trans	-58.6	-50.6	174.5	175.7	0	0	0	0	110.1	W291 K292 S293 H298 V299 F322 L448	W291-V295 HydrophobicContact CD2-CG2 4.03Å; W291-V295 HydrophobicContact CE3-CG2 4.23Å; W291-V295 HydrophobicContact CH2-CG2 4.08Å; W291-V295 HydrophobicContact CZ2-CG2 3.87Å; W291-V295 HydrophobicContact CZ3-CG2 4.25Å; W291-V295 WeakPolarHBondContact O-CG2 3.29Å; W291-V295 PolarHBondContact O-N 3.36Å; K292-V295 WeakPolarHBondContact O-CB 3.37Å; K292-V295 PolarHBondContact O-N 2.79Å; S293-V295 VanDerWaalsContact C-N 3.32Å; S293-V295 PolarHBondContact O-N 2.96Å; V295-H298 PolarHBondContact O-N 3.37Å; V295-V299 HydrophobicContact CG1-CG2 4.21Å; V295-V299 VanDerWaalsContact O-CB 3.29Å; V295-V299 WeakPolarHBondContact O-CB 3.24Å; V295-V299 WeakPolarHBondContact O-CG2 3.47Å; V295-V299 PolarHBondContact O-N 3Å; V295-F322 HydrophobicContact CB-CD1 4.22Å; V295-F322 HydrophobicContact CB-CE1 3.97Å; V295-F322 HydrophobicContact CG1-CD1 3.92Å; V295-F322 HydrophobicContact CG1-CE1 3.79Å; V295-F322 HydrophobicContact CG2-CD1 4.36Å; V295-L448 HydrophobicContact CB-CD1 4.05Å; V295-L448 HydrophobicContact CG1-CD1 4.23Å; V295-L448 HydrophobicContact CG1-CD2 4.49Å; V295-L448 HydrophobicContact CG2-CD1 3.49Å; V295-L448 VanDerWaalsContact CG2-CD1 3.49Å; V295-L448 HydrophobicContact CG2-CG 4.17Å
296	A	92.3	Very high	89.9	Confident	9 Å²	9	22.2 Å²	22.2	7%	0.074	11%	0.114	C	C	.	.	H	α-helix	trans	-61.4	-47.8	-177.6	0	0	0	0	0	112.6	F100 K292 S293 V299 F300 Y324	F100-A296 HydrophobicContact CE1-CB 4.37Å; F100-A296 HydrophobicContact CZ-CB 4.21Å; K292-A296 WeakPolarHBondContact O-CB 3.41Å; K292-A296 PolarHBondContact O-N 3.28Å; S293-A296 PolarHBondContact O-N 2.85Å; A296-V299 PolarHBondContact O-N 3.33Å; A296-F300 VanDerWaalsContact O-CB 3.28Å; A296-F300 WeakPolarHBondContact O-CB 3.28Å; A296-F300 PolarHBondContact O-N 2.9Å; A296-Y324 HydrophobicContact CB-CD2 3.76Å; A296-Y324 HydrophobicContact CB-CE2 3.69Å
297	H	93.9	Very high	88.4	Confident	5 Å²	5	25.3 Å²	25.3	2%	0.023	13%	0.129	C	C	.	.	H	α-helix	trans	-63.2	-48.2	178.1	-77.2	83.2	0	0	0	112.1	F100 I229 W248 S293 V299 F300 F301	F100-H297 AromaticContact CD1-CD2 3.93Å; I229-H297 HydrophobicContact CG2-CB 3.69Å; I229-H297 VanDerWaalsContact CG2-CG 3.45Å; W248-H297 HydrophobicContact CH2-CB 4.43Å; W248-H297 HydrophobicContact CZ2-CB 3.79Å; S293-H297 PolarHBondContact O-N 3.2Å; S293-H297 PolarHBondContact O-ND1 3.32Å; S293-H297 PolarHBondContact OG-CE1 2.89Å; S293-H297 PolarHBondContact OG-ND1 2.61Å; H297-V299 PolarHBondContact O-N 3.18Å; H297-F300 PolarHBondContact O-N 2.88Å; H297-F301 WeakPolarHBondContact O-CD2 3.3Å; H297-F301 PolarHBondContact O-N 3.16Å
298	H	90.6	Very high	86.2	Confident	14 Å²	14	31.2 Å²	31.2	7%	0.065	17%	0.165	C	C	.	.	H	α-helix	trans	-60.9	-45.1	178	-175.7	-70.2	0	0	0	111.8	W248 C294 V295 R302 F438	W248-H298 HydrophobicContact CD2-CB 4.37Å; W248-H298 AromaticContact CD2-CD2 3.96Å; W248-H298 HydrophobicContact CE3-CB 4.15Å; W248-H298 AromaticContact CE3-CD2 3.67Å; W248-H298 HydrophobicContact CH2-CB 4.49Å; W248-H298 HydrophobicContact CZ3-CB 4.21Å; C294-H298 VanDerWaalsContact O-CB 3.28Å; C294-H298 WeakPolarHBondContact O-CB 3.19Å; C294-H298 PolarHBondContact O-N 2.95Å; V295-H298 PolarHBondContact O-N 3.37Å; H298-R302 WeakPolarHBondContact O-CB 3.21Å; H298-R302 PolarHBondContact O-N 3.39Å; H298-F438 AromaticContact CE1-CD1 3.86Å; H298-F438 AromaticContact CE1-CE1 3.41Å; H298-F438 VanDerWaalsContact CE1-CE1 3.41Å; H298-F438 WeakPolarHBondContact CE1-CE1 3.28Å; H298-F438 AromaticContact CE1-CE2 3.58Å; H298-F438 AromaticContact CE1-CZ 3.27Å; H298-F438 WeakPolarHBondContact CE1-CZ 3.34Å; H298-F438 AromaticContact NE2-CD1 3.92Å; H298-F438 AromaticContact NE2-CE1 3.89Å
299	V	90.2	Very high	83.9	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.006	18%	0.175	C	C	.	.	H	α-helix	trans	-60.8	-46.3	177	167	0	0	0	0	111.4	V295 A296 H297 L303 T306 Y324 T328 Y450	V295-V299 HydrophobicContact CG1-CG2 4.21Å; V295-V299 VanDerWaalsContact O-CB 3.29Å; V295-V299 WeakPolarHBondContact O-CB 3.24Å; V295-V299 WeakPolarHBondContact O-CG2 3.47Å; V295-V299 PolarHBondContact O-N 3Å; A296-V299 PolarHBondContact O-N 3.33Å; H297-V299 PolarHBondContact O-N 3.18Å; V299-L303 HydrophobicContact CB-CD1 4.11Å; V299-L303 HydrophobicContact CG1-CD1 4.07Å; V299-L303 HydrophobicContact CG2-CD1 3.95Å; V299-L303 WeakPolarHBondContact O-CB 3.37Å; V299-T306 HydrophobicContact CG1-CG2 3.69Å; V299-Y324 HydrophobicContact CB-CD1 4.24Å; V299-Y324 HydrophobicContact CB-CG 4.32Å; V299-Y324 HydrophobicContact CG1-CD1 3.39Å; V299-Y324 HydrophobicContact CG1-CE1 4.13Å; V299-Y324 HydrophobicContact CG1-CG 3.84Å; V299-T328 HydrophobicContact CG1-CG2 4.33Å; V299-T328 WeakPolarHBondContact O-CG2 3.5Å; V299-Y450 HydrophobicContact CG2-CE2 3.64Å; V299-Y450 WeakPolarHBondContact CG2-OH 3.46Å
300	F	93.3	Very high	81.5	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66.3	-47	-176.5	-175.2	-99.7	0	0	0	112.3	D61 Y62 F100 A296 H297 R327 Q329	D61-F300 HydrophobicContact CB-CE2 3.97Å; D61-F300 WeakPolarHBondContact O-CE2 3.26Å; Y62-F300 AromaticContact CD1-CE1 3.67Å; Y62-F300 HydrophobicContact CD1-CE1 3.67Å; Y62-F300 AromaticContact CD1-CZ 3.54Å; Y62-F300 HydrophobicContact CD1-CZ 3.54Å; Y62-F300 AromaticContact CE1-CE1 3.71Å; Y62-F300 HydrophobicContact CE1-CE1 3.71Å; Y62-F300 AromaticContact CE1-CZ 3.7Å; Y62-F300 HydrophobicContact CE1-CZ 3.7Å; Y62-F300 HydrophobicContact CG-CZ 4.2Å; F100-F300 HydrophobicContact CB-CD1 3.64Å; F100-F300 HydrophobicContact CB-CE1 3.49Å; F100-F300 VanDerWaalsContact CB-CE1 3.49Å; F100-F300 HydrophobicContact CB-CG 4.39Å; F100-F300 HydrophobicContact CB-CZ 4.15Å; F100-F300 HydrophobicContact CD1-CB 4.12Å; F100-F300 AromaticContact CD1-CD1 3.9Å; F100-F300 HydrophobicContact CD1-CD1 3.9Å; F100-F300 HydrophobicContact CD1-CG 4.06Å; F100-F300 HydrophobicContact CD2-CB 4.45Å; F100-F300 AromaticContact CD2-CD1 3.9Å; F100-F300 HydrophobicContact CD2-CD1 3.9Å; F100-F300 AromaticContact CD2-CD2 3.85Å; F100-F300 HydrophobicContact CD2-CD2 3.85Å; F100-F300 HydrophobicContact CD2-CE1 4.05Å; F100-F300 HydrophobicContact CD2-CE2 4.02Å; F100-F300 AromaticContact CD2-CG 3.79Å; F100-F300 HydrophobicContact CD2-CG 3.79Å; F100-F300 HydrophobicContact CD2-CZ 4.11Å; F100-F300 HydrophobicContact CE1-CB 3.89Å; F100-F300 HydrophobicContact CE1-CG 4.21Å; F100-F300 HydrophobicContact CE2-CB 4.25Å; F100-F300 AromaticContact CE2-CD2 3.93Å; F100-F300 HydrophobicContact CE2-CD2 3.93Å; F100-F300 HydrophobicContact CE2-CE2 4.43Å; F100-F300 AromaticContact CE2-CG 3.97Å; F100-F300 HydrophobicContact CE2-CG 3.97Å; F100-F300 HydrophobicContact CG-CB 4.37Å; F100-F300 AromaticContact CG-CD1 3.53Å; F100-F300 HydrophobicContact CG-CD1 3.53Å; F100-F300 HydrophobicContact CG-CD2 4.33Å; F100-F300 AromaticContact CG-CE1 3.82Å; F100-F300 HydrophobicContact CG-CE1 3.82Å; F100-F300 AromaticContact CG-CG 3.81Å; F100-F300 HydrophobicContact CG-CG 3.81Å; F100-F300 HydrophobicContact CG-CZ 4.34Å; F100-F300 HydrophobicContact CZ-CB 3.93Å; F100-F300 HydrophobicContact CZ-CD2 4.45Å; F100-F300 HydrophobicContact CZ-CG 4.14Å; A296-F300 VanDerWaalsContact O-CB 3.28Å; A296-F300 WeakPolarHBondContact O-CB 3.28Å; A296-F300 PolarHBondContact O-N 2.9Å; H297-F300 PolarHBondContact O-N 2.88Å; F300-R327 WeakPolarHBondContact CD2-O 3.31Å; F300-Q329 HydrophobicContact CD1-CB 4.15Å; F300-Q329 HydrophobicContact CE1-CB 3.78Å; F300-Q329 HydrophobicContact CE1-CG 4.17Å; F300-Q329 HydrophobicContact CE2-CB 4.45Å; F300-Q329 HydrophobicContact CZ-CB 3.95Å; F300-Q329 HydrophobicContact CZ-CG 4.33Å; F300-Q329 VanDerWaalsContact O-CB 3.3Å; F300-Q329 WeakPolarHBondContact O-CB 3.27Å; F300-Q329 PolarHBondContact O-N 2.96Å
301	F	92.3	Very high	78.6	Confident	13 Å²	13	45.3 Å²	45.3	6%	0.057	23%	0.233	C	C	.	.	H	α-helix	trans	-90.7	-27.9	-171.4	-71.8	-69.3	0	0	0	115.3	F100 Y101 A231 H297	F100-F301 HydrophobicContact CB-CE2 3.95Å; F100-F301 HydrophobicContact CB-CZ 3.67Å; F100-F301 AromaticContact CD1-CE2 3.81Å; F100-F301 HydrophobicContact CD1-CE2 3.81Å; F100-F301 HydrophobicContact CD1-CZ 4.41Å; F100-F301 HydrophobicContact CG-CE2 4.27Å; F100-F301 HydrophobicContact CG-CZ 4.44Å; Y101-F301 VanDerWaalsContact O-CZ 3.28Å; Y101-F301 WeakPolarHBondContact O-CZ 3.36Å; A231-F301 HydrophobicContact CB-CD1 3.85Å; A231-F301 HydrophobicContact CB-CD2 3.86Å; A231-F301 HydrophobicContact CB-CE1 3.62Å; A231-F301 HydrophobicContact CB-CE2 3.61Å; A231-F301 HydrophobicContact CB-CG 3.96Å; A231-F301 HydrophobicContact CB-CZ 3.48Å; A231-F301 VanDerWaalsContact CB-CZ 3.48Å; H297-F301 WeakPolarHBondContact O-CD2 3.3Å; H297-F301 PolarHBondContact O-N 3.16Å
302	R	88.6	Confident	76.3	Confident	35 Å²	35	52.1 Å²	52.1	13%	0.132	27%	0.265	C	S	.	.	H	α-helix	trans	-107	-4.3	-174.2	-64	-50.8	-53.5	-171.1	7.2	115.6	W248 H298 L455 V456 D458	W248-R302 HydrophobicContact CB-CG 4.07Å; W248-R302 HydrophobicContact CG-CG 4.3Å; H298-R302 WeakPolarHBondContact O-CB 3.21Å; H298-R302 PolarHBondContact O-N 3.39Å; R302-L455 HydrophobicContact CB-CD2 4.06Å; R302-L455 WeakPolarHBondContact O-CA 3.47Å; R302-L455 WeakPolarHBondContact O-CD2 3.36Å; R302-V456 PolarHBondContact NH2-O 2.82Å; R302-V456 PolarHBondContact O-N 3.23Å; R302-D458 IonicContact CZ-OD1 3.71Å; R302-D458 VanDerWaalsContact CZ-OD1 3.27Å; R302-D458 IonicContact NH1-OD1 2.73Å; R302-D458 PolarHBondContact NH1-OD1 2.88Å; R302-D458 IonicContact NH2-OD1 3.18Å; R302-D458 PolarHBondContact NH2-OD1 3.4Å
303	L	84.6	Confident	74.1	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-114.7	145.8	-175.1	-51	179.7	0	0	0	115.2	V299 S305 T328 F438 Y450 N454 L455 V456	V299-L303 HydrophobicContact CB-CD1 4.11Å; V299-L303 HydrophobicContact CG1-CD1 4.07Å; V299-L303 HydrophobicContact CG2-CD1 3.95Å; V299-L303 WeakPolarHBondContact O-CB 3.37Å; L303-S305 VanDerWaalsContact C-N 3.34Å; L303-T328 HydrophobicContact CB-CG2 4.12Å; L303-T328 WeakPolarHBondContact O-CB 3.27Å; L303-T328 PolarHBondContact O-OG1 3.41Å; L303-F438 HydrophobicContact CD2-CZ 3.97Å; L303-Y450 HydrophobicContact CD1-CD2 3.22Å; L303-Y450 HydrophobicContact CD1-CE2 3.36Å; L303-Y450 HydrophobicContact CD1-CG 4.09Å; L303-Y450 HydrophobicContact CD2-CD2 3.77Å; L303-Y450 HydrophobicContact CG-CD2 4.1Å; L303-N454 VanDerWaalsContact CA-O 3.3Å; L303-N454 WeakPolarHBondContact CA-O 3.45Å; L303-L455 HydrophobicContact CD2-CD2 4.2Å; L303-V456 VanDerWaalsContact C-CG2 3.44Å
304	M	80.7	Confident	71.9	Confident	40 Å²	40	59.5 Å²	59.5	20%	0.197	32%	0.32	C	S	.	.	S	Bend	trans	-75.5	-24	169.9	-67.7	-169.5	-73.2	0	0	112.5	Y330 Q331 S453 N454 V456 M460	M304-Y330 HydrophobicContact CB-CD1 3.71Å; M304-Y330 HydrophobicContact CB-CE1 3.88Å; M304-Y330 HydrophobicContact CB-CG 4.22Å; M304-Y330 HydrophobicContact CG-CD1 3.83Å; M304-Y330 HydrophobicContact CG-CD2 4.12Å; M304-Y330 HydrophobicContact CG-CE1 3.84Å; M304-Y330 HydrophobicContact CG-CE2 4.15Å; M304-Y330 HydrophobicContact CG-CG 3.97Å; M304-Y330 WeakPolarHBondContact O-CD1 3.4Å; M304-Y330 HydrophobicContact SD-CE1 4.12Å; M304-Y330 HydrophobicContact SD-CE2 4.27Å; M304-Q331 WeakPolarHBondContact O-CG 3.35Å; M304-S453 WeakPolarHBondContact CE-O 3.19Å; M304-N454 PolarHBondContact N-O 2.9Å; M304-V456 HydrophobicContact CG-CG2 3.79Å; M304-M460 HydrophobicContact SD-CE 4.37Å; M304-M460 HydrophobicContact SD-SD 3.83Å
305	S	78.4	Confident	69.9	Low	42 Å²	42	68.4 Å²	68.4	29%	0.294	36%	0.359	S	S	.	.	S	Bend	trans	-153.9	152.8	176.4	67	0	0	0	0	113.6	L303 N454	L303-S305 VanDerWaalsContact C-N 3.34Å; S305-N454 PolarHBondContact N-OD1 3.25Å; S305-N454 PolarHBondContact O-ND2 3.07Å; S305-N454 PolarHBondContact O-OD1 2.92Å; S305-N454 PolarHBondContact OG-OD1 3.39Å
306	T	73.5	Confident	67.8	Low	34 Å²	34	77.9 Å²	77.9	21%	0.209	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-71.9	132.3	159.2	40.5	0	0	0	0	109.9	V299 T308 Y324 E326 T328	V299-T306 HydrophobicContact CG1-CG2 3.69Å; T306-T308 PolarHBondContact O-N 3.28Å; T306-T308 VanDerWaalsContact O-N 3.13Å; T306-Y324 HydrophobicContact CG2-CD1 3.78Å; T306-Y324 WeakPolarHBondContact CG2-O 3.47Å; T306-E326 VanDerWaalsContact CG2-O 3.28Å; T306-E326 WeakPolarHBondContact CG2-O 3.47Å; T306-T328 HydrophobicContact CG2-CG2 4.22Å
307	E	61.4	Low	65.6	Low	103 Å²	103	87.3 Å²	87.3	48%	0.481	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-56.9	119.8	173.8	-91.2	-170.7	167.5	0	0	110.8	Y450	E307-Y450 HydrophobicContact CB-CD1 4.29Å; E307-Y450 HydrophobicContact CB-CE1 4.18Å; E307-Y450 HydrophobicContact CG-CD1 3.51Å; E307-Y450 HydrophobicContact CG-CE1 3.9Å
308	T	47.9	Very low	63.2	Low	123 Å²	123	90.1 Å²	90.1	76%	0.755	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-66.3	138.9	171.3	31.3	0	0	0	0	109.7	T306 M310	T306-T308 PolarHBondContact O-N 3.28Å; T306-T308 VanDerWaalsContact O-N 3.13Å; T308-M310 PolarHBondContact O-N 2.81Å
309	P	43	Very low	61.1	Low	86 Å²	86	94.4 Å²	94.4	56%	0.558	50%	0.501	S	S	*	.			trans	-62.9	107	-178.4	23.6	-32.9	0	0	0	111.1	K311	P309-K311 PolarHBondContact O-N 3.42Å
310	M	41.9	Very low	58.9	Low	142 Å²	142	97.3 Å²	97.3	70%	0.7	53%	0.532	S	S	*	.			trans	-51.9	121.9	168.6	-74.4	-174.2	145	0	0	109.8	T308 H312	T308-M310 PolarHBondContact O-N 2.81Å; M310-H312 PolarHBondContact O-N 3.05Å
311	K	34.9	Very low	57	Low	211 Å²	211	104.7 Å²	104.7	92%	0.917	56%	0.559	S	S	*	*			trans	-76.4	62.2	-174.1	-65.6	-179.4	179.9	174.6	0	112.6	P309	P309-K311 PolarHBondContact O-N 3.42Å
312	H	45.6	Very low	55.3	Low	158 Å²	158	106.9 Å²	106.9	73%	0.731	57%	0.569	S	S	*	*			trans	-81.5	143.8	169.5	-71.6	-75.5	0	0	0	111.6	M310	M310-H312 PolarHBondContact O-N 3.05Å
313	G	43.9	Very low	54.1	Low	56 Å²	56	109.5 Å²	109.5	58%	0.577	58%	0.583	S	S	*	*			trans	-87.3	147.6	-153.8	0	0	0	0	0	117	F315	G313-F315 PolarHBondContact O-N 3.43Å
314	L	48.3	Very low	53.2	Low	175 Å²	175	110 Å²	110	92%	0.916	59%	0.585	S	S	*	*	S	Bend	trans	57	-25.3	152.9	-62.1	174.7	0	0	0	120.7	K316	L314-K316 PolarHBondContact O-N 3.32Å
315	F	50.8	Low	52.9	Low	188 Å²	188	111.9 Å²	111.9	83%	0.825	60%	0.6	S	S	*	*			trans	-92.2	88.9	-175.4	-66.4	-76.5	0	0	0	112.8	G313 F317	G313-F315 PolarHBondContact O-N 3.43Å; F315-F317 PolarHBondContact O-N 3.01Å
316	K	48.5	Very low	53.1	Low	200 Å²	200	111 Å²	111	87%	0.87	59%	0.591	S	S	*	*			trans	-84.6	22.7	174.1	-66.9	-171.8	176.5	-178.2	0	114.3	L314 G318	L314-K316 PolarHBondContact O-N 3.32Å; K316-G318 PolarHBondContact O-N 3.37Å
317	F	46.1	Very low	53.8	Low	207 Å²	207	112.8 Å²	112.8	91%	0.908	59%	0.594	S	S	*	*			trans	-91.1	81.5	-177.6	-74.6	-74.9	0	0	0	112.1	F315	F315-F317 PolarHBondContact O-N 3.01Å
318	G	42.8	Very low	55.2	Low	64 Å²	64	107.9 Å²	107.9	66%	0.66	57%	0.571	S	S	*	*	S	Bend	trans	170.7	166.8	173.8	0	0	0	0	0	111.5	K316 G320	K316-G318 PolarHBondContact O-N 3.37Å; G318-G320 PolarHBondContact O-N 2.86Å; G318-G320 VanDerWaalsContact O-N 3.11Å
319	S	47.5	Very low	57.3	Low	104 Å²	104	102.4 Å²	102.4	73%	0.727	54%	0.537	S	S	*	.	S	Bend	trans	-63.3	113	161.9	174.9	0	0	0	0	107.2	R321	S319-R321 PolarHBondContact O-N 2.96Å
320	G	43.2	Very low	59.5	Low	63 Å²	63	100.4 Å²	100.4	65%	0.649	52%	0.518	S	S	*	.			trans	-49.6	138.9	177.2	0	0	0	0	0	111.3	G318 F322	G318-G320 PolarHBondContact O-N 2.86Å; G318-G320 VanDerWaalsContact O-N 3.11Å; G320-F322 PolarHBondContact O-N 3.15Å
321	R	53	Low	61.8	Low	154 Å²	154	96.3 Å²	96.3	58%	0.581	50%	0.497	S	S	*	.			trans	-53	130.4	178.8	-65.9	-172	-70.7	-158.3	9.2	108.3	S319 Q323 E442	S319-R321 PolarHBondContact O-N 2.96Å; R321-Q323 PolarHBondContact O-N 2.93Å; R321-E442 IonicContact CZ-OE1 3.51Å; R321-E442 IonicContact NH1-OE1 3.33Å; R321-E442 PolarHBondContact NH1-OE1 3.42Å
322	F	57.5	Low	64.5	Low	60 Å²	60	86.2 Å²	86.2	26%	0.263	45%	0.454	S	S	.	.			trans	-68.9	110.2	178.5	174.8	-120	0	0	0	108.7	W291 K292 V295 G320	W291-F322 HydrophobicContact CH2-CB 4.15Å; W291-F322 HydrophobicContact CH2-CD1 4.37Å; W291-F322 HydrophobicContact CZ3-CB 3.95Å; W291-F322 AromaticContact CZ3-CD1 3.94Å; W291-F322 HydrophobicContact CZ3-CD1 3.94Å; W291-F322 HydrophobicContact CZ3-CG 4.31Å; K292-F322 HydrophobicContact CB-CE1 4.02Å; K292-F322 HydrophobicContact CB-CZ 4.34Å; K292-F322 HydrophobicContact CD-CD1 4.37Å; K292-F322 HydrophobicContact CD-CD2 4.12Å; K292-F322 HydrophobicContact CD-CE1 4.12Å; K292-F322 HydrophobicContact CD-CE2 3.86Å; K292-F322 HydrophobicContact CD-CG 4.37Å; K292-F322 HydrophobicContact CD-CZ 3.85Å; K292-F322 VanDerWaalsContact CE-CE2 3.48Å; K292-F322 HydrophobicContact CG-CD1 3.8Å; K292-F322 HydrophobicContact CG-CD2 4.41Å; K292-F322 HydrophobicContact CG-CE1 3.7Å; K292-F322 HydrophobicContact CG-CE2 4.33Å; K292-F322 HydrophobicContact CG-CG 4.16Å; K292-F322 HydrophobicContact CG-CZ 3.98Å; K292-F322 VanDerWaalsContact NZ-CE2 3.25Å; V295-F322 HydrophobicContact CB-CD1 4.22Å; V295-F322 HydrophobicContact CB-CE1 3.97Å; V295-F322 HydrophobicContact CG1-CD1 3.92Å; V295-F322 HydrophobicContact CG1-CE1 3.79Å; V295-F322 HydrophobicContact CG2-CD1 4.36Å; G320-F322 PolarHBondContact O-N 3.15Å
323	Q	62.8	Low	66.7	Low	89 Å²	89	80 Å²	80	42%	0.416	42%	0.424	S	S	.	.			trans	-103.8	139.5	172.8	-63.8	-177.3	-68	0	0	108.4	R321 P325	R321-Q323 PolarHBondContact O-N 2.93Å; Q323-P325 WeakPolarHBondContact O-CD 3.29Å
324	Y	66.7	Low	68.9	Low	12 Å²	12	80.2 Å²	80.2	5%	0.047	41%	0.411	C	S	.	.			trans	-82.9	117.6	169.6	-175.9	-99.6	0	0	0	107.9	F100 A296 V299 T306 E326	F100-Y324 WeakPolarHBondContact CE2-OH 3.36Å; F100-Y324 HydrophobicContact CZ-CE2 4.01Å; F100-Y324 AromaticContact CZ-CZ 3.88Å; F100-Y324 VanDerWaalsContact CZ-OH 3.24Å; F100-Y324 WeakPolarHBondContact CZ-OH 3.49Å; A296-Y324 HydrophobicContact CB-CD2 3.76Å; A296-Y324 HydrophobicContact CB-CE2 3.69Å; V299-Y324 HydrophobicContact CB-CD1 4.24Å; V299-Y324 HydrophobicContact CB-CG 4.32Å; V299-Y324 HydrophobicContact CG1-CD1 3.39Å; V299-Y324 HydrophobicContact CG1-CE1 4.13Å; V299-Y324 HydrophobicContact CG1-CG 3.84Å; T306-Y324 HydrophobicContact CG2-CD1 3.78Å; T306-Y324 WeakPolarHBondContact CG2-O 3.47Å; Y324-E326 HydrophobicContact CD1-CB 4.4Å; Y324-E326 WeakPolarHBondContact CD1-O 3.26Å; Y324-E326 HydrophobicContact CE1-CB 3.64Å; Y324-E326 WeakPolarHBondContact CE1-O 3.36Å
325	P	73	Confident	70.9	Confident	78 Å²	78	73.4 Å²	73.4	51%	0.506	38%	0.38	S	S	.	.			trans	-94.9	-7	-167.9	36.6	-35	0	0	0	114.1	Q323	Q323-P325 WeakPolarHBondContact O-CD 3.29Å
326	E	83.1	Confident	72.8	Confident	23 Å²	23	64.7 Å²	64.7	11%	0.107	34%	0.342	C	S	.	.	S	Bend	trans	-92.7	167.5	-176.3	-64.2	154.2	-106.7	0	0	110.7	N64 H79 K99 T306 Y324	N64-E326 PolarHBondContact ND2-OE2 3.28Å; H79-E326 IonicContact CE1-OE2 2.94Å; K99-E326 IonicContact NZ-OE1 3.46Å; K99-E326 PolarHBondContact NZ-OE1 3.14Å; K99-E326 IonicContact NZ-OE2 3.93Å; K99-E326 PolarHBondContact NZ-OE2 3.48Å; T306-E326 VanDerWaalsContact CG2-O 3.28Å; T306-E326 WeakPolarHBondContact CG2-O 3.47Å; Y324-E326 HydrophobicContact CD1-CB 4.4Å; Y324-E326 WeakPolarHBondContact CD1-O 3.26Å; Y324-E326 HydrophobicContact CE1-CB 3.64Å; Y324-E326 WeakPolarHBondContact CE1-O 3.36Å
327	R	88	Confident	74.7	Confident	73 Å²	73	58.3 Å²	58.3	28%	0.275	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-69.5	157.1	179.4	-61.6	-172.5	-70.3	-174.2	0.6	111.8	D61 F300 Q331	D61-R327 VanDerWaalsContact CG-NE 3.33Å; D61-R327 WeakPolarHBondContact OD1-CB 3.36Å; D61-R327 IonicContact OD1-CZ 3.36Å; D61-R327 IonicContact OD1-NE 2.61Å; D61-R327 PolarHBondContact OD1-NE 3.45Å; D61-R327 IonicContact OD1-NH2 2.7Å; D61-R327 IonicContact OD2-CZ 3.43Å; D61-R327 VanDerWaalsContact OD2-CZ 3.29Å; D61-R327 IonicContact OD2-NE 4Å; D61-R327 PolarHBondContact OD2-NE 3.37Å; D61-R327 IonicContact OD2-NH2 2.78Å; D61-R327 PolarHBondContact OD2-NH2 3.35Å; F300-R327 WeakPolarHBondContact CD2-O 3.31Å; R327-Q331 HydrophobicContact CB-CB 4.05Å
328	T	90.7	Very high	76.6	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-82.1	166.1	167.4	80.1	0	0	0	0	111.3	V299 L303 T306 Y330 Q331 T332	V299-T328 HydrophobicContact CG1-CG2 4.33Å; V299-T328 WeakPolarHBondContact O-CG2 3.5Å; L303-T328 HydrophobicContact CB-CG2 4.12Å; L303-T328 WeakPolarHBondContact O-CB 3.27Å; L303-T328 PolarHBondContact O-OG1 3.41Å; T306-T328 HydrophobicContact CG2-CG2 4.22Å; T328-Y330 VanDerWaalsContact C-N 3.26Å; T328-Y330 PolarHBondContact O-N 3.11Å; T328-Y330 PolarHBondContact OG1-N 3.06Å; T328-Q331 PolarHBondContact O-N 3.03Å; T328-Q331 PolarHBondContact OG1-N 2.82Å; T328-T332 WeakPolarHBondContact O-CB 3.4Å; T328-T332 PolarHBondContact O-N 2.99Å; T328-T332 PolarHBondContact O-OG1 2.97Å
329	Q	92	Very high	78.6	Confident	8 Å²	8	54 Å²	54	4%	0.037	30%	0.301	C	S	.	.	H	α-helix	trans	-59.5	-38.5	175.4	-167.6	-178.6	28.7	0	0	111.6	Y62 F300 T332 R333	Y62-Q329 HydrophobicContact CE1-CG 4.02Å; Y62-Q329 WeakPolarHBondContact OH-CG 3.44Å; Y62-Q329 PolarHBondContact OH-NE2 2.67Å; F300-Q329 HydrophobicContact CD1-CB 4.15Å; F300-Q329 HydrophobicContact CE1-CB 3.78Å; F300-Q329 HydrophobicContact CE1-CG 4.17Å; F300-Q329 HydrophobicContact CE2-CB 4.45Å; F300-Q329 HydrophobicContact CZ-CB 3.95Å; F300-Q329 HydrophobicContact CZ-CG 4.33Å; F300-Q329 VanDerWaalsContact O-CB 3.3Å; F300-Q329 WeakPolarHBondContact O-CB 3.27Å; F300-Q329 PolarHBondContact O-N 2.96Å; Q329-T332 WeakPolarHBondContact O-CB 3.43Å; Q329-T332 PolarHBondContact O-N 3.48Å; Q329-R333 WeakPolarHBondContact O-CG 3.25Å; Q329-R333 PolarHBondContact O-N 3.16Å
330	Y	89.6	Confident	80.2	Confident	44 Å²	44	57.2 Å²	57.2	17%	0.173	31%	0.31	C	S	.	.	H	α-helix	trans	-61.6	-48.5	176.6	-177.8	-94.6	0	0	0	111.7	M304 T328 T332 R333 L334 V456 L464	M304-Y330 HydrophobicContact CB-CD1 3.71Å; M304-Y330 HydrophobicContact CB-CE1 3.88Å; M304-Y330 HydrophobicContact CB-CG 4.22Å; M304-Y330 HydrophobicContact CG-CD1 3.83Å; M304-Y330 HydrophobicContact CG-CD2 4.12Å; M304-Y330 HydrophobicContact CG-CE1 3.84Å; M304-Y330 HydrophobicContact CG-CE2 4.15Å; M304-Y330 HydrophobicContact CG-CG 3.97Å; M304-Y330 WeakPolarHBondContact O-CD1 3.4Å; M304-Y330 HydrophobicContact SD-CE1 4.12Å; M304-Y330 HydrophobicContact SD-CE2 4.27Å; T328-Y330 VanDerWaalsContact C-N 3.26Å; T328-Y330 PolarHBondContact O-N 3.11Å; T328-Y330 PolarHBondContact OG1-N 3.06Å; Y330-T332 VanDerWaalsContact C-N 3.27Å; Y330-T332 PolarHBondContact O-N 3.14Å; Y330-R333 PolarHBondContact O-N 3.46Å; Y330-L334 HydrophobicContact CD1-CD1 3.88Å; Y330-L334 HydrophobicContact CD1-CG 4.36Å; Y330-L334 HydrophobicContact CE1-CD1 3.36Å; Y330-L334 HydrophobicContact CE1-CG 4.08Å; Y330-L334 PolarHBondContact O-N 3.3Å; Y330-V456 HydrophobicContact CD2-CG2 4.24Å; Y330-V456 HydrophobicContact CG-CG2 4.34Å; Y330-L464 HydrophobicContact CD2-CD1 4.22Å; Y330-L464 HydrophobicContact CE2-CD1 3.86Å
331	Q	90.8	Very high	82.4	Confident	55 Å²	55	57.4 Å²	57.4	26%	0.257	29%	0.291	S	S	.	.	H	α-helix	trans	-62.6	-34.2	175	-64.9	178.9	-40	0	0	112.6	M304 R327 T328 A335	M304-Q331 WeakPolarHBondContact O-CG 3.35Å; R327-Q331 HydrophobicContact CB-CB 4.05Å; T328-Q331 PolarHBondContact O-N 3.03Å; T328-Q331 PolarHBondContact OG1-N 2.82Å; Q331-A335 VanDerWaalsContact O-CB 3.3Å; Q331-A335 WeakPolarHBondContact O-CB 3.25Å; Q331-A335 PolarHBondContact O-N 3.08Å
332	T	91.6	Very high	83.9	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-65.4	-49.1	175.6	-53.6	0	0	0	0	110.4	D61 Y62 T328 Q329 Y330 A335 C336	D61-T332 HydrophobicContact CB-CG2 4.41Å; D61-T332 PolarHBondContact OD2-OG1 2.86Å; Y62-T332 HydrophobicContact CE2-CG2 4.39Å; T328-T332 WeakPolarHBondContact O-CB 3.4Å; T328-T332 PolarHBondContact O-N 2.99Å; T328-T332 PolarHBondContact O-OG1 2.97Å; Q329-T332 WeakPolarHBondContact O-CB 3.43Å; Q329-T332 PolarHBondContact O-N 3.48Å; Y330-T332 VanDerWaalsContact C-N 3.27Å; Y330-T332 PolarHBondContact O-N 3.14Å; T332-A335 PolarHBondContact O-N 3.23Å; T332-C336 PolarHBondContact O-N 2.88Å; T332-C336 PolarHBondContact O-SG 2.78Å
333	R	91.3	Very high	85.1	Confident	28 Å²	28	56.9 Å²	56.9	11%	0.106	31%	0.314	C	S	.	.	H	α-helix	trans	-61.9	-44.5	177.2	-70.8	178.3	-172.1	-151	3.8	112.6	Q329 Y330 A335 C336 A337	Q329-R333 WeakPolarHBondContact O-CG 3.25Å; Q329-R333 PolarHBondContact O-N 3.16Å; Y330-R333 PolarHBondContact O-N 3.46Å; R333-A335 VanDerWaalsContact C-N 3.35Å; R333-A335 PolarHBondContact O-N 3.34Å; R333-C336 PolarHBondContact O-N 3.33Å; R333-A337 WeakPolarHBondContact O-CB 3.4Å; R333-A337 PolarHBondContact O-N 3.47Å
334	L	90.1	Very high	86	Confident	59 Å²	59	53.2 Å²	53.2	31%	0.309	30%	0.298	S	S	.	.	H	α-helix	trans	-59.8	-44.5	174.4	-73.8	-176.8	0	0	0	111.8	Y330 C336 A337 L338 L464	Y330-L334 HydrophobicContact CD1-CD1 3.88Å; Y330-L334 HydrophobicContact CD1-CG 4.36Å; Y330-L334 HydrophobicContact CE1-CD1 3.36Å; Y330-L334 HydrophobicContact CE1-CG 4.08Å; Y330-L334 PolarHBondContact O-N 3.3Å; L334-C336 VanDerWaalsContact C-N 3.27Å; L334-C336 PolarHBondContact O-N 3.07Å; L334-A337 PolarHBondContact O-N 3Å; L334-L338 WeakPolarHBondContact O-CB 3.43Å; L334-L338 VanDerWaalsContact O-CG 3.28Å; L334-L338 WeakPolarHBondContact O-CG 3.22Å; L334-L338 PolarHBondContact O-N 2.76Å; L334-L338 VanDerWaalsContact O-N 3.07Å; L334-L464 HydrophobicContact CD2-CD1 4.42Å; L334-L464 HydrophobicContact CD2-CD2 3.84Å
335	A	89.7	Confident	86.8	Confident	32 Å²	32	62.8 Å²	62.8	26%	0.264	34%	0.34	S	S	.	.	H	α-helix	trans	-64.8	-30.6	177.4	0	0	0	0	0	112.9	Q331 T332 R333 S339	Q331-A335 VanDerWaalsContact O-CB 3.3Å; Q331-A335 WeakPolarHBondContact O-CB 3.25Å; Q331-A335 PolarHBondContact O-N 3.08Å; T332-A335 PolarHBondContact O-N 3.23Å; R333-A335 VanDerWaalsContact C-N 3.35Å; R333-A335 PolarHBondContact O-N 3.34Å; A335-S339 WeakPolarHBondContact O-CB 3.43Å; A335-S339 PolarHBondContact O-N 3.12Å
336	C	90.6	Very high	87.4	Confident	5 Å²	5	61.3 Å²	61.3	3%	0.034	33%	0.326	C	S	.	.	H	α-helix	trans	-72.3	-49	173.2	-63.7	0	0	0	0	111.8	L58 E59 H109 T332 R333 L334 L338 S339	L58-C336 HydrophobicContact CD2-CB 4.17Å; E59-C336 VanDerWaalsContact CG-SG 3.51Å; H109-C336 HydrophobicContact CB-CB 4.17Å; T332-C336 PolarHBondContact O-N 2.88Å; T332-C336 PolarHBondContact O-SG 2.78Å; R333-C336 PolarHBondContact O-N 3.33Å; L334-C336 VanDerWaalsContact C-N 3.27Å; L334-C336 PolarHBondContact O-N 3.07Å; C336-L338 PolarHBondContact O-N 3.31Å; C336-S339 VanDerWaalsContact O-CB 3.31Å; C336-S339 WeakPolarHBondContact O-CB 3.45Å; C336-S339 PolarHBondContact O-N 2.94Å
337	A	87.9	Confident	87.4	Confident	67 Å²	67	66.5 Å²	66.5	55%	0.554	35%	0.354	S	S	*	.	H	α-helix	trans	-62.3	-23.6	179.6	0	0	0	0	0	113.7	R333 L334	R333-A337 WeakPolarHBondContact O-CB 3.4Å; R333-A337 PolarHBondContact O-N 3.47Å; L334-A337 PolarHBondContact O-N 3Å
338	L	87	Confident	87.3	Confident	144 Å²	144	66 Å²	66	75%	0.754	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-1.8	173.2	-64.8	170.7	0	0	0	113.6	L334 C336 N340	L334-L338 WeakPolarHBondContact O-CB 3.43Å; L334-L338 VanDerWaalsContact O-CG 3.28Å; L334-L338 WeakPolarHBondContact O-CG 3.22Å; L334-L338 PolarHBondContact O-N 2.76Å; L334-L338 VanDerWaalsContact O-N 3.07Å; C336-L338 PolarHBondContact O-N 3.31Å; L338-N340 PolarHBondContact O-N 2.95Å
339	S	85.4	Confident	86.5	Confident	37 Å²	37	66.9 Å²	66.9	26%	0.259	36%	0.358	S	S	.	.			trans	-95	92.2	-173.3	-157.5	0	0	0	0	112.3	A335 C336 R341	A335-S339 WeakPolarHBondContact O-CB 3.43Å; A335-S339 PolarHBondContact O-N 3.12Å; C336-S339 VanDerWaalsContact O-CB 3.31Å; C336-S339 WeakPolarHBondContact O-CB 3.45Å; C336-S339 PolarHBondContact O-N 2.94Å; S339-R341 PolarHBondContact O-N 3.37Å
340	N	79.8	Confident	85.8	Confident	170 Å²	170	66.7 Å²	66.7	91%	0.909	36%	0.357	S	S	*	.			trans	-72.2	40.1	173.3	-68.4	-25.3	0	0	0	113.5	L338	L338-N340 PolarHBondContact O-N 2.95Å
341	R	88.9	Confident	84.7	Confident	67 Å²	67	70.4 Å²	70.4	25%	0.253	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-87.9	150.1	176.1	67.9	-178.7	-115.1	142.7	-7.4	111	N56 E110 S339	N56-R341 PolarHBondContact O-NH2 2.84Å; N56-R341 PolarHBondContact OD1-NH1 3.32Å; E110-R341 VanDerWaalsContact CD-NH2 3.32Å; E110-R341 IonicContact OE1-CZ 3.33Å; E110-R341 IonicContact OE1-NE 3.07Å; E110-R341 PolarHBondContact OE1-NE 3.11Å; E110-R341 VanDerWaalsContact OE1-NE 3.07Å; E110-R341 IonicContact OE1-NH2 2.74Å; E110-R341 PolarHBondContact OE1-NH2 2.85Å; E110-R341 IonicContact OE2-CZ 3.92Å; E110-R341 IonicContact OE2-NH2 3.09Å; E110-R341 PolarHBondContact OE2-NH2 2.8Å; E110-R341 VanDerWaalsContact OE2-NH2 3.09Å; S339-R341 PolarHBondContact O-N 3.37Å
342	P	85.7	Confident	83.3	Confident	106 Å²	106	70.1 Å²	70.1	69%	0.688	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-62.7	146	162.6	29.1	-34.3	0	0	0	109.8
343	P	81.9	Confident	81.6	Confident	98 Å²	98	73 Å²	73	64%	0.636	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-55.2	146	174.7	-25.8	34.4	0	0	0	112.3	K345	P343-K345 PolarHBondContact O-N 2.86Å; P343-K345 VanDerWaalsContact O-N 3.17Å
344	A	83.1	Confident	79.9	Confident	12 Å²	12	74.2 Å²	74.2	10%	0.099	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-53.1	121.4	172.4	0	0	0	0	0	111.2	E110 F112 F346	E110-A344 PolarHBondContact OE1-N 2.88Å; F112-A344 HydrophobicContact CB-CB 4.11Å; F112-A344 HydrophobicContact CD1-CB 4.22Å; F112-A344 HydrophobicContact CG-CB 4.37Å; A344-F346 WeakPolarHBondContact O-CD1 3.26Å
345	K	82.3	Confident	78.2	Confident	212 Å²	212	76.7 Å²	76.7	92%	0.922	42%	0.418	S	S	*	.			trans	-81.1	115.6	166.2	-68.9	-170.6	177.9	-172.4	0	108.7	P343	P343-K345 PolarHBondContact O-N 2.86Å; P343-K345 VanDerWaalsContact O-N 3.17Å
346	F	86.4	Confident	75.9	Confident	47 Å²	47	84.6 Å²	84.6	21%	0.206	45%	0.446	C	S	.	.			trans	-131	151.4	176	66.3	-80	0	0	0	110	D111 F112 Y115 A344 R348	D111-F346 HydrophobicContact CB-CE1 4.04Å; D111-F346 HydrophobicContact CB-CZ 4.25Å; F112-F346 VanDerWaalsContact CA-CE1 3.44Å; F112-F346 HydrophobicContact CB-CD1 3.61Å; F112-F346 HydrophobicContact CB-CE1 3.64Å; F112-F346 HydrophobicContact CB-CG 4.3Å; F112-F346 HydrophobicContact CB-CZ 4.32Å; F112-F346 HydrophobicContact CD2-CB 3.72Å; F112-F346 AromaticContact CD2-CD1 3.65Å; F112-F346 HydrophobicContact CD2-CD1 3.65Å; F112-F346 AromaticContact CD2-CD2 3.73Å; F112-F346 HydrophobicContact CD2-CD2 3.73Å; F112-F346 HydrophobicContact CD2-CE1 4.16Å; F112-F346 HydrophobicContact CD2-CE2 4.21Å; F112-F346 AromaticContact CD2-CG 3.42Å; F112-F346 HydrophobicContact CD2-CG 3.42Å; F112-F346 VanDerWaalsContact CD2-CG 3.42Å; F112-F346 HydrophobicContact CD2-CZ 4.41Å; F112-F346 HydrophobicContact CE2-CB 3.92Å; F112-F346 HydrophobicContact CE2-CD2 4.29Å; F112-F346 HydrophobicContact CE2-CG 4.07Å; F112-F346 HydrophobicContact CG-CB 4.46Å; F112-F346 AromaticContact CG-CD1 3.93Å; F112-F346 HydrophobicContact CG-CD1 3.93Å; F112-F346 HydrophobicContact CG-CE1 4.35Å; F112-F346 HydrophobicContact CG-CG 4.15Å; Y115-F346 AromaticContact CD1-CD2 3.62Å; Y115-F346 HydrophobicContact CD1-CD2 3.62Å; Y115-F346 AromaticContact CD1-CE2 3.35Å; Y115-F346 HydrophobicContact CD1-CE2 3.35Å; Y115-F346 HydrophobicContact CD1-CZ 4.36Å; Y115-F346 HydrophobicContact CE1-CD2 4.07Å; Y115-F346 HydrophobicContact CE1-CE2 4.1Å; Y115-F346 HydrophobicContact CG-CD2 4.35Å; Y115-F346 AromaticContact CG-CE2 3.62Å; Y115-F346 HydrophobicContact CG-CE2 3.62Å; Y115-F346 HydrophobicContact CG-CZ 4.36Å; A344-F346 WeakPolarHBondContact O-CD1 3.26Å; F346-R348 HydrophobicContact CD2-CG 4.26Å; F346-R348 HydrophobicContact CE2-CG 3.7Å
347	L	83.2	Confident	73.4	Confident	133 Å²	133	92.2 Å²	92.2	70%	0.696	48%	0.481	S	S	*	.			trans	-88.8	139.7	165.6	-73.4	131	0	0	0	108.4	S349	L347-S349 PolarHBondContact O-N 3.2Å
348	R	84.2	Confident	70.8	Confident	61 Å²	61	95 Å²	95	23%	0.23	49%	0.494	C	S	.	.			trans	-81.2	112.9	167.1	-71.3	170.1	172.4	88.7	-2.8	107.2	Y115 E196 F346	Y115-R348 HydrophobicContact CD2-CG 4.21Å; Y115-R348 HydrophobicContact CE1-CG 4.39Å; Y115-R348 HydrophobicContact CE2-CB 4.33Å; Y115-R348 HydrophobicContact CE2-CG 4.09Å; Y115-R348 HydrophobicContact CG-CG 4.44Å; E196-R348 WeakPolarHBondContact OE1-CD 3.29Å; E196-R348 IonicContact OE1-CZ 3.59Å; E196-R348 IonicContact OE1-NE 3.64Å; E196-R348 PolarHBondContact OE1-NE 3.02Å; E196-R348 IonicContact OE1-NH2 3.21Å; E196-R348 IonicContact OE2-CZ 3.29Å; E196-R348 IonicContact OE2-NE 2.85Å; E196-R348 PolarHBondContact OE2-NE 3.45Å; E196-R348 IonicContact OE2-NH2 2.65Å; E196-R348 PolarHBondContact OE2-NH2 3.11Å; F346-R348 HydrophobicContact CD2-CG 4.26Å; F346-R348 HydrophobicContact CE2-CG 3.7Å
349	S	74.2	Confident	68.2	Low	19 Å²	19	97.3 Å²	97.3	13%	0.133	50%	0.501	C	S	.	.			trans	-147	126.2	174.7	65.9	0	0	0	0	111	D30 Y115 L347 I353 C354	D30-S349 VanDerWaalsContact CB-O 3.23Å; D30-S349 WeakPolarHBondContact CB-O 3.28Å; Y115-S349 PolarHBondContact OH-N 3.41Å; Y115-S349 PolarHBondContact OH-O 2.86Å; Y115-S349 VanDerWaalsContact OH-O 3.11Å; L347-S349 PolarHBondContact O-N 3.2Å; S349-I353 VanDerWaalsContact CA-O 3.26Å; S349-I353 WeakPolarHBondContact CA-O 3.22Å; S349-I353 WeakPolarHBondContact CB-O 3.48Å; S349-C354 VanDerWaalsContact CB-SG 3.58Å
350	F	77.1	Confident	65.6	Low	4 Å²	4	100 Å²	100	2%	0.018	52%	0.519	C	S	.	.	B	Isolated β-bridge	trans	-95.9	128.6	170.1	-162.2	-115.9	0	0	0	108.6	L119 H122 F144 L167 Q168 G352 I353	L119-F350 HydrophobicContact CD2-CD2 3.73Å; L119-F350 HydrophobicContact CD2-CE2 4.11Å; H122-F350 AromaticContact CD2-CZ 3.77Å; F144-F350 HydrophobicContact CE1-CD2 4.39Å; F144-F350 HydrophobicContact CE1-CG 4.47Å; F144-F350 HydrophobicContact CZ-CD2 4.03Å; F144-F350 HydrophobicContact CZ-CE2 4.12Å; L167-F350 HydrophobicContact CD2-CB 3.82Å; L167-F350 HydrophobicContact CD2-CD1 3.81Å; L167-F350 HydrophobicContact CD2-CG 4.04Å; Q168-F350 HydrophobicContact CG-CE1 4.11Å; Q168-F350 VanDerWaalsContact NE2-CE1 3.27Å; F350-G352 PolarHBondContact O-N 3.4Å; F350-I353 WeakPolarHBondContact O-CB 3.44Å; F350-I353 PolarHBondContact O-N 2.89Å
351	R	68.2	Low	63.4	Low	123 Å²	123	97.3 Å²	97.3	46%	0.464	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	27.5	-176.5	-65.2	174.8	161.1	-177.7	-9.9	114.4	D30 E166	D30-R351 VanDerWaalsContact O-CA 3.25Å; D30-R351 WeakPolarHBondContact O-CA 3.39Å; D30-R351 WeakPolarHBondContact O-CG 3.46Å; D30-R351 PolarHBondContact O-N 3.39Å; E166-R351 PolarHBondContact O-NH1 3.21Å
352	G	59.6	Low	60.9	Low	49 Å²	49	100.4 Å²	100.4	51%	0.505	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	3.5	-176.9	0	0	0	0	0	115.4	F350 C354	F350-G352 PolarHBondContact O-N 3.4Å; G352-C354 PolarHBondContact O-N 2.99Å
353	I	57.3	Low	58.4	Low	61 Å²	61	102 Å²	102	31%	0.313	54%	0.54	S	S	.	.	B	Isolated β-bridge	trans	-80.1	102	175	-59.6	157.2	0	0	0	108.8	E166 S349 F350	E166-I353 HydrophobicContact CB-CD1 3.55Å; E166-I353 HydrophobicContact CG-CD1 3.73Å; S349-I353 VanDerWaalsContact CA-O 3.26Å; S349-I353 WeakPolarHBondContact CA-O 3.22Å; S349-I353 WeakPolarHBondContact CB-O 3.48Å; F350-I353 WeakPolarHBondContact O-CB 3.44Å; F350-I353 PolarHBondContact O-N 2.89Å
354	C	54.8	Low	55.9	Low	52 Å²	52	104.1 Å²	104.1	35%	0.351	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-92.2	154.5	160.7	-73.3	0	0	0	0	109.8	S349 G352 K356	S349-C354 VanDerWaalsContact CB-SG 3.58Å; G352-C354 PolarHBondContact O-N 2.99Å; C354-K356 PolarHBondContact O-N 2.82Å
355	K	53.8	Low	53.7	Low	111 Å²	111	109.7 Å²	109.7	48%	0.483	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-56.2	135.5	148.3	-73.8	-154.5	179.8	-163.7	0	108.5	L149 E357	L149-K355 WeakPolarHBondContact O-CE 3.33Å; L149-K355 PolarHBondContact O-NZ 3.01Å; K355-E357 PolarHBondContact O-N 3.28Å
356	K	43.1	Very low	51.3	Low	198 Å²	198	107.3 Å²	107.3	86%	0.861	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-65.2	119.8	154.3	-65.1	-178.2	-179.4	-178.7	0	106.2	C354	C354-K356 PolarHBondContact O-N 2.82Å
357	E	37.1	Very low	48.6	Very low	166 Å²	166	111.9 Å²	111.9	78%	0.776	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-59.3	139.1	162.6	-69	-172.6	136	0	0	107.7	K355 E359	K355-E357 PolarHBondContact O-N 3.28Å; E357-E359 PolarHBondContact O-N 3.43Å; E357-E359 VanDerWaalsContact O-N 3.14Å
358	P	34.4	Very low	46.1	Very low	125 Å²	125	111.9 Å²	111.9	81%	0.812	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-63.5	118.6	172.1	26.7	-32	0	0	0	107.7	S360	P358-S360 PolarHBondContact O-N 3.21Å
359	E	31.1	Very low	43.5	Very low	192 Å²	192	114.4 Å²	114.4	90%	0.897	64%	0.641	S	S	*	*			trans	-58.4	103.7	176.4	-69.6	-177.5	175.6	0	0	109.1	E357 P361	E357-E359 PolarHBondContact O-N 3.43Å; E357-E359 VanDerWaalsContact O-N 3.14Å; E359-P361 WeakPolarHBondContact O-CD 3.49Å
360	S	30.9	Very low	41.4	Very low	93 Å²	93	117.9 Å²	117.9	65%	0.65	67%	0.67	S	S	*	*			trans	-60.9	120.4	171.5	57.4	0	0	0	0	107.5	P358 V362	P358-S360 PolarHBondContact O-N 3.21Å; S360-V362 PolarHBondContact O-N 2.78Å
361	P	34.9	Very low	39.3	Very low	114 Å²	114	122 Å²	122	74%	0.74	70%	0.7	S	S	*	*			trans	-62.8	109.5	-176.8	24.3	-33.1	0	0	0	109	E359 N363	E359-P361 WeakPolarHBondContact O-CD 3.49Å; P361-N363 PolarHBondContact O-N 2.7Å
362	V	34.7	Very low	37.5	Very low	133 Å²	133	124.3 Å²	124.3	81%	0.806	72%	0.716	S	S	*	*			trans	-67.3	106	177	178.8	0	0	0	0	107	S360 V364	S360-V362 PolarHBondContact O-N 2.78Å; V362-V364 PolarHBondContact O-N 2.97Å
363	N	33.9	Very low	36	Very low	138 Å²	138	129.5 Å²	129.5	74%	0.738	73%	0.731	S	S	*	*			trans	-56.3	123.1	-177.6	-77.2	-51.1	0	0	0	110.5	P361 V365	P361-N363 PolarHBondContact O-N 2.7Å; N363-V365 HydrophobicContact CB-CG2 4.49Å; N363-V365 PolarHBondContact O-N 3.05Å; N363-V365 VanDerWaalsContact O-N 3.09Å
364	V	29.9	Very low	34.5	Very low	144 Å²	144	130.8 Å²	130.8	87%	0.873	75%	0.751	S	S	*	*			trans	-68.9	105.2	169.2	178.8	0	0	0	0	107.7	V362	V362-V364 PolarHBondContact O-N 2.97Å
365	V	36.5	Very low	33.3	Very low	128 Å²	128	137.2 Å²	137.2	78%	0.776	77%	0.773	S	S	*	*			trans	-127.9	136.1	166.1	-177.5	0	0	0	0	107.6	N363	N363-V365 HydrophobicContact CB-CG2 4.49Å; N363-V365 PolarHBondContact O-N 3.05Å; N363-V365 VanDerWaalsContact O-N 3.09Å
366	E	31.8	Very low	32	Very low	162 Å²	162	138.7 Å²	138.7	76%	0.757	79%	0.785	S	S	*	*			trans	-83.8	158.7	-163.3	-57	173	110	0	0	113.7
367	N	28.9	Very low	31.3	Very low	143 Å²	143	133 Å²	133	77%	0.765	78%	0.776	S	S	*	*			trans	41.9	100.1	145.1	-61.6	-32	0	0	0	119.4
368	S	32.1	Very low	31.1	Very low	133 Å²	133	134.8 Å²	134.8	93%	0.93	78%	0.781	S	S	*	*				-164	159.3	125.8	-85.6	0	0	0	0	111.3
369	S	29.4	Very low	31	Very low	115 Å²	115	134.1 Å²	134.1	80%	0.804	78%	0.779	S	S	*	*			trans	-119.1	167.2	-157.6	57	0	0	0	0	115.6
370	A	30.6	Very low	31.1	Very low	92 Å²	92	130 Å²	130	76%	0.76	77%	0.771	S	S	*	*			trans	75.2	147.4	175.5	0	0	0	0	0	115.5
371	S	32.4	Very low	31.3	Very low	91 Å²	91	129.7 Å²	129.7	64%	0.636	77%	0.774	S	S	*	*			cis	-150.2	138.9	25.5	-67.8	0	0	0	0	114.8
372	Q	30.4	Very low	31.4	Very low	171 Å²	171	131.2 Å²	131.2	80%	0.799	78%	0.776	S	S	*	*			trans	62.6	148.2	140.2	-57	166.1	32	0	0	117.9
373	L	28.7	Very low	31.6	Very low	158 Å²	158	133 Å²	133	83%	0.827	78%	0.775	S	S	*	*			cis	-138.1	150	10	-63.8	160.9	0	0	0	107.7
374	A	25.6	Very low	31.7	Very low	87 Å²	87	132.3 Å²	132.3	72%	0.719	77%	0.772	S	S	*	*			cis	120.4	100.9	9.4	0	0	0	0	0	112.5
375	F	28.8	Very low	32.3	Very low	188 Å²	188	130.1 Å²	130.1	83%	0.825	76%	0.755	S	S	*	*			trans	-159.7	121.2	155.6	-144.8	-122.1	0	0	0	114.4
376	L	27.2	Very low	32.4	Very low	142 Å²	142	131.6 Å²	131.6	74%	0.743	75%	0.751	S	S	*	*			trans	48.8	145.3	160.2	-55.8	-178.2	0	0	0	121.7
377	A	28.2	Very low	32.7	Very low	79 Å²	79	131 Å²	131	65%	0.653	75%	0.748	S	S	*	*			cis	-173.7	141.5	-19.4	0	0	0	0	0	111.8
378	K	32.5	Very low	32.9	Very low	203 Å²	203	132.4 Å²	132.4	88%	0.883	75%	0.748	S	S	*	*			trans	164.9	140.7	134.1	-93.1	166.7	-178.8	-179.9	0	112.8
379	S	31.6	Very low	33.1	Very low	110 Å²	110	130.4 Å²	130.4	77%	0.769	74%	0.739	S	S	*	*			trans	26.2	142.5	152.2	-74.7	0	0	0	0	122.9
380	S	34.5	Very low	33.6	Very low	106 Å²	106	132.8 Å²	132.8	74%	0.741	74%	0.739	S	S	*	*			cis	-165.7	146.5	1.8	-98.5	0	0	0	0	114.3
381	A	35.1	Very low	33.9	Very low	86 Å²	86	133.5 Å²	133.5	71%	0.711	74%	0.739	S	S	*	*			trans	73.5	142.1	143.4	0	0	0	0	0	123.8
382	N	35.8	Very low	34.2	Very low	146 Å²	146	136.8 Å²	136.8	78%	0.781	74%	0.744	S	S	*	*			trans	72.9	115	166.5	-53.7	-14.5	0	0	0	117
383	H	40	Very low	34.5	Very low	171 Å²	171	134 Å²	134	79%	0.792	74%	0.739	S	S	*	*				63.5	132.7	60.5	-72.7	-53.6	0	0	0	113.5
384	N	36.7	Very low	35	Very low	124 Å²	124	135 Å²	135	66%	0.663	74%	0.737	S	S	*	*			cis	-159.2	-174.8	-2.4	-130.6	43.8	0	0	0	108.1
385	D	40.5	Very low	35.8	Very low	97 Å²	97	135.1 Å²	135.1	52%	0.519	74%	0.737	S	S	.	*			cis	-161.6	168.4	8.2	-150.8	-16.6	0	0	0	110.9
386	K	39.9	Very low	36.7	Very low	159 Å²	159	132 Å²	132	69%	0.691	74%	0.736	S	S	*	*			trans	42	144.6	155.5	-72.8	145.2	-165.7	155.5	0	123.6
387	E	37.5	Very low	37.3	Very low	149 Å²	149	132.2 Å²	132.2	70%	0.696	74%	0.738	S	S	*	*			cis	90.6	127.2	23.4	-161.7	172	-158.7	0	0	114.1
388	K	34.4	Very low	37.8	Very low	174 Å²	174	134.6 Å²	134.6	76%	0.757	75%	0.745	S	S	*	*			cis	176	170.2	-2.3	158.5	177.8	163.3	-174	0	113.5
389	A	35.3	Very low	38.1	Very low	90 Å²	90	128.4 Å²	128.4	74%	0.744	74%	0.738	S	S	*	*			trans	74.1	166.4	170.5	0	0	0	0	0	116.8
390	M	38.9	Very low	38.6	Very low	165 Å²	165	132.4 Å²	132.4	81%	0.813	74%	0.744	S	S	*	*			cis	-160.2	161.6	10.6	-164.2	159.6	60.5	0	0	112.9
391	S	38.3	Very low	38.8	Very low	107 Å²	107	132.6 Å²	132.6	75%	0.748	74%	0.741	S	S	*	*			trans	63	148.2	159.6	37.1	0	0	0	0	119.5
392	E	38.6	Very low	38.9	Very low	160 Å²	160	135.1 Å²	135.1	75%	0.748	74%	0.742	S	S	*	*			cis	-150.1	-148.9	-18.7	-149.4	-155.2	-83.3	0	0	106.8
393	T	37.3	Very low	39.1	Very low	114 Å²	114	137.4 Å²	137.4	70%	0.699	75%	0.746	S	S	*	*			cis	-156	-166	5.1	-164.8	0	0	0	0	112.6
394	K	38.4	Very low	39.1	Very low	179 Å²	179	134.8 Å²	134.8	78%	0.778	74%	0.744	S	S	*	*			trans	-69.6	171.5	177.4	-66.5	163.3	-173.8	168.1	0	113.7
395	A	43.5	Very low	38.9	Very low	88 Å²	88	137.3 Å²	137.3	73%	0.727	76%	0.755	S	S	*	*			cis	178.9	-160.2	-18.6	0	0	0	0	0	107.1
396	P	46.2	Very low	38.7	Very low	123 Å²	123	135.6 Å²	135.6	80%	0.799	76%	0.761	S	S	*	*				-127.5	-174.9	-71.2	35.8	-18.5	0	0	0	115.9
397	D	40	Very low	38.5	Very low	146 Å²	146	134.7 Å²	134.7	78%	0.781	77%	0.768	S	S	*	*			trans	112.9	154.5	134.4	-145.6	7.2	0	0	0	122.3
398	T	39.5	Very low	38.2	Very low	130 Å²	130	131.9 Å²	131.9	80%	0.798	77%	0.77	S	S	*	*			trans	95.4	131.4	163.8	68.5	0	0	0	0	123.2
399	G	37.6	Very low	38.2	Very low	72 Å²	72	131.1 Å²	131.1	74%	0.742	77%	0.767	S	S	*	*			trans	100.2	99.2	161.6	0	0	0	0	0	117.8
400	Q	42.2	Very low	38.2	Very low	194 Å²	194	133.6 Å²	133.6	91%	0.907	76%	0.763	S	S	*	*				75.4	139.6	71.2	-72.7	-163.7	4.7	0	0	117.4
401	V	39.5	Very low	37.9	Very low	110 Å²	110	132.5 Å²	132.5	67%	0.667	76%	0.761	S	S	*	*			cis	-169.3	164.1	-20.7	78.7	0	0	0	0	113.2
402	N	37.8	Very low	37.8	Very low	139 Å²	139	134.4 Å²	134.4	74%	0.743	76%	0.762	S	S	*	*			trans	72.8	139.2	168	-63.4	-22.8	0	0	0	120.8
403	K	40	Very low	37.6	Very low	195 Å²	195	132.1 Å²	132.1	85%	0.848	76%	0.764	S	S	*	*			cis	87.4	153.1	16.3	-88.4	-171	173.8	-178.1	0	118.5
404	P	40.1	Very low	37.5	Very low	116 Å²	116	130.4 Å²	130.4	75%	0.753	76%	0.761	S	S	*	*			cis	-135.3	-159.4	-7.5	38.5	-16.8	0	0	0	116.1
405	I	31.5	Very low	37.3	Very low	176 Å²	176	128.6 Å²	128.6	90%	0.903	76%	0.761	S	S	*	*			trans	-132.7	159.6	-173.8	-68.3	166.2	0	0	0	111.4
406	G	35.9	Very low	36.7	Very low	62 Å²	62	129.9 Å²	129.9	64%	0.639	76%	0.759	S	S	*	*			trans	-163.6	126.2	161.3	0	0	0	0	0	119.1
407	V	35.8	Very low	36	Very low	140 Å²	140	130.4 Å²	130.4	85%	0.848	76%	0.756	S	S	*	*			trans	48.1	114.6	135.6	-163.2	0	0	0	0	119
408	A	32.4	Very low	35.5	Very low	89 Å²	89	129 Å²	129	74%	0.736	75%	0.752	S	S	*	*				66.9	151.2	70.5	0	0	0	0	0	114.8
409	K	34.6	Very low	35.1	Very low	158 Å²	158	127.9 Å²	127.9	69%	0.687	75%	0.749	S	S	*	*			cis	-169.5	164.1	16.2	-153	174.3	164.5	-124.1	0	110.8
410	E	34.3	Very low	34.7	Very low	143 Å²	143	129.4 Å²	129.4	67%	0.668	75%	0.749	S	S	*	*			trans	62.2	166.9	156.3	-80.9	150.2	171.5	0	0	119.6
411	N	32.5	Very low	34.3	Very low	142 Å²	142	127 Å²	127	76%	0.759	75%	0.747	S	S	*	*			cis	-169	177.7	-46.6	-134.8	50.4	0	0	0	111.2
412	D	37.1	Very low	33.8	Very low	146 Å²	146	126.7 Å²	126.7	78%	0.781	75%	0.749	S	S	*	*			trans	95.8	172.4	158.2	-60.8	-6.2	0	0	0	121.2
413	S	33.8	Very low	33.4	Very low	113 Å²	113	126.1 Å²	126.1	79%	0.79	75%	0.751	S	S	*	*				-140.2	171	-127.2	62.2	0	0	0	0	118
414	A	34.4	Very low	32.9	Very low	77 Å²	77	121.4 Å²	121.4	64%	0.636	74%	0.743	S	S	*	*			trans	107.9	142.3	142.9	0	0	0	0	0	121.3
415	N	33.8	Very low	32.4	Very low	142 Å²	142	121.6 Å²	121.6	76%	0.759	75%	0.747	S	S	*	*			trans	59.1	133.5	158.9	-50.4	-11.9	0	0	0	117.9
416	T	31.1	Very low	32.5	Very low	114 Å²	114	118.5 Å²	118.5	70%	0.699	74%	0.741	S	S	*	*			cis	78.2	148	33.7	83	0	0	0	0	114.1
417	D	32	Very low	32.1	Very low	135 Å²	135	124.5 Å²	124.5	72%	0.722	75%	0.752	S	S	*	*			cis	-154.6	154.8	25.4	-104.8	-56.8	0	0	0	116.1
418	V	30.4	Very low	32	Very low	117 Å²	117	122.2 Å²	122.2	71%	0.709	75%	0.748	S	S	*	*			trans	68.9	142.9	140.9	172.2	0	0	0	0	124
419	S	31	Very low	31.7	Very low	106 Å²	106	126.8 Å²	126.8	74%	0.741	76%	0.755	S	S	*	*			trans	72	160.3	158.6	71.2	0	0	0	0	119.9
420	S	29.6	Very low	31.5	Very low	104 Å²	104	124.7 Å²	124.7	73%	0.727	76%	0.759	S	S	*	*			cis	179.1	144.8	-41.3	60.7	0	0	0	0	108.8
421	V	32.9	Very low	31.2	Very low	142 Å²	142	126.8 Å²	126.8	86%	0.861	77%	0.769	S	S	*	*			trans	171.7	147.9	144.5	144.7	0	0	0	0	111.4
422	S	28.6	Very low	31	Very low	104 Å²	104	124.8 Å²	124.8	73%	0.727	77%	0.766	S	S	*	*			trans	-84.2	167.6	-178.4	-39.6	0	0	0	0	113.8
423	T	30.2	Very low	30.8	Very low	128 Å²	128	121.6 Å²	121.6	79%	0.785	76%	0.76	S	S	*	*				171	114.3	113.9	-72.3	0	0	0	0	114.8
424	S	29.5	Very low	30.5	Very low	96 Å²	96	121.5 Å²	121.5	67%	0.671	76%	0.755	S	S	*	*			trans	45.5	138	151	72.4	0	0	0	0	124.9
425	S	29.3	Very low	30.5	Very low	120 Å²	120	120 Å²	120	84%	0.839	74%	0.735	S	S	*	*			trans	72.7	151.1	157.5	80	0	0	0	0	117
426	S	33.7	Very low	30.7	Very low	110 Å²	110	118.1 Å²	118.1	77%	0.769	72%	0.722	S	S	*	*			cis	-135.8	-167.1	8.3	63	0	0	0	0	113.2
427	Q	27.8	Very low	30.9	Very low	188 Å²	188	115.4 Å²	115.4	88%	0.879	71%	0.706	S	S	*	*			trans	-63.5	141.1	-165.5	-64.6	147.6	-62.2	0	0	115.2
428	A	32.6	Very low	31.2	Very low	93 Å²	93	109.7 Å²	109.7	77%	0.769	68%	0.675	S	S	*	*			trans	-147.3	114.4	156.1	0	0	0	0	0	109.3	S430	A428-S430 PolarHBondContact O-N 3.07Å
429	E	26.4	Very low	31.4	Very low	185 Å²	185	105.8 Å²	105.8	86%	0.864	65%	0.653	S	S	*	*			trans	-81.1	107.9	177.1	-68.1	-173.6	128.6	0	0	110.3
430	S	30.6	Very low	31.6	Very low	113 Å²	113	102.9 Å²	102.9	79%	0.79	63%	0.63	S	S	*	*			trans	-94.7	109.9	173.3	48.5	0	0	0	0	110.6	A428 S432	A428-S430 PolarHBondContact O-N 3.07Å; S430-S432 VanDerWaalsContact C-N 3.28Å; S430-S432 PolarHBondContact O-N 2.84Å
431	H	28.4	Very low	31.7	Very low	187 Å²	187	101.4 Å²	101.4	87%	0.866	62%	0.617	S	S	*	*			trans	-69.3	80.9	175.6	-79.6	-76.2	0	0	0	111.8	A433	H431-A433 PolarHBondContact O-N 3.48Å
432	S	28.3	Very low	31.5	Very low	101 Å²	101	101.9 Å²	101.9	71%	0.706	61%	0.61	S	S	*	*			trans	-65.3	114.3	163.8	-177.7	0	0	0	0	109.2	S430 V434	S430-S432 VanDerWaalsContact C-N 3.28Å; S430-S432 PolarHBondContact O-N 2.84Å; S432-V434 VanDerWaalsContact C-N 3.33Å; S432-V434 PolarHBondContact O-N 2.84Å
433	A	31.3	Very low	31.8	Very low	78 Å²	78	104.5 Å²	104.5	65%	0.645	62%	0.615	S	S	*	*			trans	-76.2	82.8	178.8	0	0	0	0	0	110.3	H431 I435	H431-A433 PolarHBondContact O-N 3.48Å; A433-I435 PolarHBondContact O-N 2.94Å
434	V	28.9	Very low	32.2	Very low	112 Å²	112	104 Å²	104	68%	0.679	60%	0.604	S	S	*	*			trans	-64.5	99.9	179.2	-176.9	0	0	0	0	110.5	S432 Q436	S432-V434 VanDerWaalsContact C-N 3.33Å; S432-V434 PolarHBondContact O-N 2.84Å; V434-Q436 HydrophobicContact CG1-CG 4.09Å
435	I	34.8	Very low	32.9	Very low	45 Å²	45	104.3 Å²	104.3	23%	0.231	61%	0.612	C	S	.	*			trans	-72.5	138.7	171.9	-73.8	163.3	0	0	0	108.6	A433 L455 E457	A433-I435 PolarHBondContact O-N 2.94Å; I435-L455 HydrophobicContact CG2-CB 3.55Å; I435-L455 HydrophobicContact CG2-CD1 3.38Å; I435-L455 HydrophobicContact CG2-CG 3.97Å; I435-E457 HydrophobicContact CD1-CB 4.1Å; I435-E457 HydrophobicContact CD1-CG 3.96Å
436	Q	37.6	Very low	33.9	Very low	102 Å²	102	100.3 Å²	100.3	48%	0.477	58%	0.581	S	S	.	*			trans	-141.9	158.9	-170.7	-72.8	-117.5	-84.8	0	0	111.5	V434 D452 L455	V434-Q436 HydrophobicContact CG1-CG 4.09Å; Q436-D452 WeakPolarHBondContact CA-OD1 3.35Å; Q436-L455 WeakPolarHBondContact O-CD1 3.28Å
437	P	35	Very low	34.2	Very low	58 Å²	58	95.8 Å²	95.8	38%	0.377	55%	0.55	S	S	.	*			trans	-97.5	126.7	-165	34.5	-27	0	0	0	111.8	D452	P437-D452 WeakPolarHBondContact CB-OD1 3.48Å; P437-D452 VanDerWaalsContact CD-CG 3.46Å; P437-D452 WeakPolarHBondContact CD-OD1 3.47Å; P437-D452 VanDerWaalsContact CD-OD2 3.25Å; P437-D452 WeakPolarHBondContact CD-OD2 3.49Å; P437-D452 VanDerWaalsContact CG-OD2 3.31Å; P437-D452 WeakPolarHBondContact CG-OD2 3.24Å
438	F	37.7	Very low	34.7	Very low	14 Å²	14	87.6 Å²	87.6	6%	0.061	51%	0.512	C	S	.	.			trans	-72	170.4	166.7	47.7	-73.4	0	0	0	109.8	Y252 H298 L303 L448 R449 Y450 L455	Y252-F438 WeakPolarHBondContact O-CA 3.48Å; Y252-F438 WeakPolarHBondContact O-CB 3.28Å; H298-F438 AromaticContact CE1-CD1 3.86Å; H298-F438 AromaticContact CE1-CE1 3.41Å; H298-F438 VanDerWaalsContact CE1-CE1 3.41Å; H298-F438 WeakPolarHBondContact CE1-CE1 3.28Å; H298-F438 AromaticContact CE1-CE2 3.58Å; H298-F438 AromaticContact CE1-CZ 3.27Å; H298-F438 WeakPolarHBondContact CE1-CZ 3.34Å; H298-F438 AromaticContact NE2-CD1 3.92Å; H298-F438 AromaticContact NE2-CE1 3.89Å; L303-F438 HydrophobicContact CD2-CZ 3.97Å; F438-L448 CarbonylContact C-O 3.56Å; F438-L448 HydrophobicContact CD2-CB 4.46Å; F438-L448 HydrophobicContact CE2-CD2 4.47Å; F438-R449 VanDerWaalsContact CE2-C 3.45Å; F438-R449 VanDerWaalsContact O-CA 3.28Å; F438-R449 WeakPolarHBondContact O-CA 3.36Å; F438-Y450 AromaticContact CE2-CD2 3.3Å; F438-Y450 HydrophobicContact CE2-CD2 3.3Å; F438-Y450 AromaticContact CE2-CE2 3.91Å; F438-Y450 HydrophobicContact CE2-CE2 3.91Å; F438-Y450 AromaticContact CE2-CG 3.93Å; F438-Y450 HydrophobicContact CE2-CG 3.93Å; F438-Y450 AromaticContact CZ-CD2 3.44Å; F438-Y450 HydrophobicContact CZ-CD2 3.44Å; F438-Y450 VanDerWaalsContact CZ-CD2 3.44Å; F438-Y450 HydrophobicContact CZ-CE2 4.38Å; F438-Y450 HydrophobicContact CZ-CG 4.02Å; F438-L455 HydrophobicContact CD1-CD1 4.48Å; F438-L455 HydrophobicContact CE1-CD1 3.89Å; F438-L455 HydrophobicContact CE1-CD2 3.76Å; F438-L455 HydrophobicContact CE1-CG 3.99Å; F438-L455 HydrophobicContact CZ-CD2 4.49Å
439	S	34.7	Very low	35.2	Very low	35 Å²	35	87.9 Å²	87.9	25%	0.245	49%	0.493	C	S	.	.			trans	-143	113.2	-157.2	143.4	0	0	0	0	122.3	Y252 S447 L448 R449	Y252-S439 PolarHBondContact O-N 2.92Å; S439-S447 PolarHBondContact O-OG 2.92Å; S439-L448 CarbonylContact C-O 3.5Å; S439-L448 WeakPolarHBondContact CA-O 3.37Å; S439-L448 PolarHBondContact N-O 2.88Å; S439-R449 PolarHBondContact OG-NE 3.43Å; S439-R449 PolarHBondContact OG-NH2 2.86Å
440	V	35	Very low	35.9	Very low	45 Å²	45	80.2 Å²	80.2	27%	0.273	46%	0.456	S	S	.	.			trans	-85.8	118.6	156.6	-159.8	0	0	0	0	110	L448 R449	V440-L448 PolarHBondContact N-O 2.82Å; V440-R449 VanDerWaalsContact C-CZ 3.4Å; V440-R449 HydrophobicContact CB-CB 4.13Å; V440-R449 HydrophobicContact CB-CG 3.89Å; V440-R449 HydrophobicContact CG2-CB 3.88Å; V440-R449 HydrophobicContact CG2-CG 4.21Å; V440-R449 VanDerWaalsContact N-CB 3.35Å; V440-R449 VanDerWaalsContact O-CG 3.23Å; V440-R449 WeakPolarHBondContact O-CG 3.23Å; V440-R449 PolarHBondContact O-NE 3.17Å; V440-R449 VanDerWaalsContact O-NE 3.09Å; V440-R449 PolarHBondContact O-NH1 2.93Å; V440-R449 PolarHBondContact O-NH2 2.87Å
441	T	32	Very low	36.6	Very low	74 Å²	74	79.3 Å²	79.3	45%	0.454	44%	0.443	S	S	.	.			trans	-103.2	137.6	151	-29.2	0	0	0	0	107.6	L443 R449	T441-L443 PolarHBondContact O-N 2.92Å; T441-R449 PolarHBondContact OG1-NH2 2.78Å
442	E	28.9	Very low	37.7	Very low	152 Å²	152	73.5 Å²	73.5	71%	0.71	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	85	166.1	-68.6	-159.6	126	0	0	109.3	R321	R321-E442 IonicContact CZ-OE1 3.51Å; R321-E442 IonicContact NH1-OE1 3.33Å; R321-E442 PolarHBondContact NH1-OE1 3.42Å
443	L	35.3	Very low	39	Very low	158 Å²	158	73 Å²	73	83%	0.827	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-158.6	-26	174.8	-103.6	163.5	0	0	0	110.6	T441	T441-L443 PolarHBondContact O-N 2.92Å
444	E	38.2	Very low	40.4	Very low	118 Å²	118	70.2 Å²	70.2	55%	0.551	39%	0.389	S	S	*	.	S	Bend	trans	-131.3	122.9	169.8	-65.1	-178.4	149	0	0	110.4	K253 N446	K253-E444 IonicContact NZ-OE2 3.63Å; K253-E444 PolarHBondContact NZ-OE2 2.98Å; E444-N446 PolarHBondContact O-N 2.88Å
445	A	44.1	Very low	41.9	Very low	102 Å²	102	65.5 Å²	65.5	84%	0.843	36%	0.36	S	S	*	.	S	Bend	trans	-70.3	11.1	-172.4	0	0	0	0	0	116.1
446	N	50	Low	42.9	Very low	36 Å²	36	63.5 Å²	63.5	19%	0.193	35%	0.35	C	S	.	.	S	Bend	trans	-134.3	41.7	-169.8	-61.3	-24.2	0	0	0	112.1	S255 Y256 W291 E444	S255-N446 WeakPolarHBondContact CA-O 3.4Å; S255-N446 VanDerWaalsContact CB-O 3.3Å; S255-N446 WeakPolarHBondContact CB-O 3.35Å; Y256-N446 HydrophobicContact CD1-CB 3.84Å; Y256-N446 HydrophobicContact CE1-CB 3.65Å; Y256-N446 WeakPolarHBondContact CE1-ND2 3.39Å; Y256-N446 WeakPolarHBondContact CE1-OD1 3.5Å; Y256-N446 VanDerWaalsContact CZ-CG 3.46Å; Y256-N446 VanDerWaalsContact CZ-OD1 3.23Å; Y256-N446 PolarHBondContact O-ND2 2.67Å; Y256-N446 PolarHBondContact OH-OD1 3.37Å; W291-N446 PolarHBondContact NE1-O 3.09Å; E444-N446 PolarHBondContact O-N 2.88Å
447	S	40.7	Very low	43.8	Very low	16 Å²	16	63.3 Å²	63.3	11%	0.112	35%	0.349	C	S	.	.			trans	-135.2	168.2	-177	-156.8	0	0	0	0	112.7	K253 S439	K253-S447 WeakPolarHBondContact CD-OG 3.4Å; K253-S447 VanDerWaalsContact CE-OG 3.24Å; K253-S447 WeakPolarHBondContact CE-OG 3.3Å; S439-S447 PolarHBondContact O-OG 2.92Å
448	L	38.7	Very low	44.6	Very low	15 Å²	15	65.1 Å²	65.1	8%	0.079	36%	0.356	C	S	.	.			trans	-139.6	116.5	-165	-114.6	173.1	0	0	0	112.1	V295 F438 S439 V440 Y450	V295-L448 HydrophobicContact CB-CD1 4.05Å; V295-L448 HydrophobicContact CG1-CD1 4.23Å; V295-L448 HydrophobicContact CG1-CD2 4.49Å; V295-L448 HydrophobicContact CG2-CD1 3.49Å; V295-L448 VanDerWaalsContact CG2-CD1 3.49Å; V295-L448 HydrophobicContact CG2-CG 4.17Å; F438-L448 CarbonylContact C-O 3.56Å; F438-L448 HydrophobicContact CD2-CB 4.46Å; F438-L448 HydrophobicContact CE2-CD2 4.47Å; S439-L448 CarbonylContact C-O 3.5Å; S439-L448 WeakPolarHBondContact CA-O 3.37Å; S439-L448 PolarHBondContact N-O 2.88Å; V440-L448 PolarHBondContact N-O 2.82Å; L448-Y450 HydrophobicContact CD2-CD2 4.43Å; L448-Y450 HydrophobicContact CD2-CE1 4.38Å; L448-Y450 HydrophobicContact CD2-CE2 3.52Å; L448-Y450 VanDerWaalsContact CD2-CZ 3.5Å; L448-Y450 WeakPolarHBondContact CD2-OH 3.49Å
449	R	43.5	Very low	45.1	Very low	99 Å²	99	67.1 Å²	67.1	37%	0.374	37%	0.371	S	S	.	.			trans	-105.7	140	167.1	-78	-68.1	120.7	93.1	0	103.7	F438 S439 V440 T441	F438-R449 VanDerWaalsContact CE2-C 3.45Å; F438-R449 VanDerWaalsContact O-CA 3.28Å; F438-R449 WeakPolarHBondContact O-CA 3.36Å; S439-R449 PolarHBondContact OG-NE 3.43Å; S439-R449 PolarHBondContact OG-NH2 2.86Å; V440-R449 VanDerWaalsContact C-CZ 3.4Å; V440-R449 HydrophobicContact CB-CB 4.13Å; V440-R449 HydrophobicContact CB-CG 3.89Å; V440-R449 HydrophobicContact CG2-CB 3.88Å; V440-R449 HydrophobicContact CG2-CG 4.21Å; V440-R449 VanDerWaalsContact N-CB 3.35Å; V440-R449 VanDerWaalsContact O-CG 3.23Å; V440-R449 WeakPolarHBondContact O-CG 3.23Å; V440-R449 PolarHBondContact O-NE 3.17Å; V440-R449 VanDerWaalsContact O-NE 3.09Å; V440-R449 PolarHBondContact O-NH1 2.93Å; V440-R449 PolarHBondContact O-NH2 2.87Å; T441-R449 PolarHBondContact OG1-NH2 2.78Å
450	Y	40.3	Very low	46	Very low	24 Å²	24	68.8 Å²	68.8	9%	0.094	38%	0.376	C	S	.	.			trans	-92	168.4	136.5	14.2	-107.7	0	0	0	109.3	V299 L303 E307 F438 L448	V299-Y450 HydrophobicContact CG2-CE2 3.64Å; V299-Y450 WeakPolarHBondContact CG2-OH 3.46Å; L303-Y450 HydrophobicContact CD1-CD2 3.22Å; L303-Y450 HydrophobicContact CD1-CE2 3.36Å; L303-Y450 HydrophobicContact CD1-CG 4.09Å; L303-Y450 HydrophobicContact CD2-CD2 3.77Å; L303-Y450 HydrophobicContact CG-CD2 4.1Å; E307-Y450 HydrophobicContact CB-CD1 4.29Å; E307-Y450 HydrophobicContact CB-CE1 4.18Å; E307-Y450 HydrophobicContact CG-CD1 3.51Å; E307-Y450 HydrophobicContact CG-CE1 3.9Å; F438-Y450 AromaticContact CE2-CD2 3.3Å; F438-Y450 HydrophobicContact CE2-CD2 3.3Å; F438-Y450 AromaticContact CE2-CE2 3.91Å; F438-Y450 HydrophobicContact CE2-CE2 3.91Å; F438-Y450 AromaticContact CE2-CG 3.93Å; F438-Y450 HydrophobicContact CE2-CG 3.93Å; F438-Y450 AromaticContact CZ-CD2 3.44Å; F438-Y450 HydrophobicContact CZ-CD2 3.44Å; F438-Y450 VanDerWaalsContact CZ-CD2 3.44Å; F438-Y450 HydrophobicContact CZ-CE2 4.38Å; F438-Y450 HydrophobicContact CZ-CG 4.02Å; L448-Y450 HydrophobicContact CD2-CD2 4.43Å; L448-Y450 HydrophobicContact CD2-CE1 4.38Å; L448-Y450 HydrophobicContact CD2-CE2 3.52Å; L448-Y450 VanDerWaalsContact CD2-CZ 3.5Å; L448-Y450 WeakPolarHBondContact CD2-OH 3.49Å
451	D	44.6	Very low	46.9	Very low	95 Å²	95	68.2 Å²	68.2	51%	0.508	37%	0.371	S	S	.	.			trans	-87.6	151.5	147.4	-169	-74.9	0	0	0	108	S453 N454	D451-S453 PolarHBondContact O-N 2.84Å; D451-S453 WeakPolarHBondContact OD1-CB 3.49Å; D451-S453 PolarHBondContact OD1-N 2.77Å; D451-S453 PolarHBondContact OD1-OG 2.96Å; D451-N454 PolarHBondContact O-N 2.9Å; D451-N454 VanDerWaalsContact O-N 3.16Å
452	D	51.7	Low	47.7	Very low	65 Å²	65	67.3 Å²	67.3	35%	0.348	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-55.4	-40.2	175.8	-92.3	-34.2	0	0	0	111.3	Q436 P437 N454 L455	Q436-D452 WeakPolarHBondContact CA-OD1 3.35Å; P437-D452 WeakPolarHBondContact CB-OD1 3.48Å; P437-D452 VanDerWaalsContact CD-CG 3.46Å; P437-D452 WeakPolarHBondContact CD-OD1 3.47Å; P437-D452 VanDerWaalsContact CD-OD2 3.25Å; P437-D452 WeakPolarHBondContact CD-OD2 3.49Å; P437-D452 VanDerWaalsContact CG-OD2 3.31Å; P437-D452 WeakPolarHBondContact CG-OD2 3.24Å; D452-N454 PolarHBondContact O-N 2.82Å; D452-L455 PolarHBondContact O-N 3.07Å; D452-L455 VanDerWaalsContact O-N 3.09Å
453	S	56.3	Low	48.6	Very low	91 Å²	91	64.9 Å²	64.9	64%	0.636	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-65.5	-5.2	-178.6	61.7	0	0	0	0	115.1	M304 D451	M304-S453 WeakPolarHBondContact CE-O 3.19Å; D451-S453 PolarHBondContact O-N 2.84Å; D451-S453 WeakPolarHBondContact OD1-CB 3.49Å; D451-S453 PolarHBondContact OD1-N 2.77Å; D451-S453 PolarHBondContact OD1-OG 2.96Å
454	N	59.9	Low	49.3	Very low	18 Å²	18	60.6 Å²	60.6	10%	0.096	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-108.5	-0.7	176.7	-167.6	29.9	0	0	0	113.3	L303 M304 S305 D451 D452	L303-N454 VanDerWaalsContact CA-O 3.3Å; L303-N454 WeakPolarHBondContact CA-O 3.45Å; M304-N454 PolarHBondContact N-O 2.9Å; S305-N454 PolarHBondContact N-OD1 3.25Å; S305-N454 PolarHBondContact O-ND2 3.07Å; S305-N454 PolarHBondContact O-OD1 2.92Å; S305-N454 PolarHBondContact OG-OD1 3.39Å; D451-N454 PolarHBondContact O-N 2.9Å; D451-N454 VanDerWaalsContact O-N 3.16Å; D452-N454 PolarHBondContact O-N 2.82Å
455	L	60.2	Low	49.3	Very low	13 Å²	13	58.3 Å²	58.3	7%	0.068	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-79.1	140.5	175.2	-82.7	159.8	0	0	0	111.6	R302 L303 I435 Q436 F438 D452	R302-L455 HydrophobicContact CB-CD2 4.06Å; R302-L455 WeakPolarHBondContact O-CA 3.47Å; R302-L455 WeakPolarHBondContact O-CD2 3.36Å; L303-L455 HydrophobicContact CD2-CD2 4.2Å; I435-L455 HydrophobicContact CG2-CB 3.55Å; I435-L455 HydrophobicContact CG2-CD1 3.38Å; I435-L455 HydrophobicContact CG2-CG 3.97Å; Q436-L455 WeakPolarHBondContact O-CD1 3.28Å; F438-L455 HydrophobicContact CD1-CD1 4.48Å; F438-L455 HydrophobicContact CE1-CD1 3.89Å; F438-L455 HydrophobicContact CE1-CD2 3.76Å; F438-L455 HydrophobicContact CE1-CG 3.99Å; F438-L455 HydrophobicContact CZ-CD2 4.49Å; D452-L455 PolarHBondContact O-N 3.07Å; D452-L455 VanDerWaalsContact O-N 3.09Å
456	V	56.6	Low	49.2	Very low	3 Å²	3	60.4 Å²	60.4	2%	0.018	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-77.2	125.8	171.4	176	0	0	0	0	108.8	R302 L303 M304 Y330 L461	R302-V456 PolarHBondContact NH2-O 2.82Å; R302-V456 PolarHBondContact O-N 3.23Å; L303-V456 VanDerWaalsContact C-CG2 3.44Å; M304-V456 HydrophobicContact CG-CG2 3.79Å; Y330-V456 HydrophobicContact CD2-CG2 4.24Å; Y330-V456 HydrophobicContact CG-CG2 4.34Å; V456-L461 HydrophobicContact CG1-CD1 3.86Å; V456-L461 HydrophobicContact CG1-CD2 3.84Å; V456-L461 HydrophobicContact CG1-CG 3.58Å
457	E	56.8	Low	48.3	Very low	98 Å²	98	64.3 Å²	64.3	46%	0.458	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-79.9	143.2	163.6	-56	-163.7	158	0	0	111	I435 S459 M460	I435-E457 HydrophobicContact CD1-CB 4.1Å; I435-E457 HydrophobicContact CD1-CG 3.96Å; E457-S459 WeakPolarHBondContact CB-OG 3.23Å; E457-S459 PolarHBondContact O-N 3.16Å; E457-S459 PolarHBondContact OE2-OG 2.93Å; E457-M460 HydrophobicContact CB-CG 4.22Å; E457-M460 WeakPolarHBondContact O-CB 3.21Å; E457-M460 PolarHBondContact O-N 3.11Å; E457-M460 VanDerWaalsContact O-N 3.11Å
458	D	51	Low	47.8	Very low	97 Å²	97	68.3 Å²	68.3	52%	0.519	40%	0.4	S	S	.	.	H	α-helix	trans	-65.2	-24	-178.5	-59.4	-8.5	0	0	0	111.6	R302	R302-D458 IonicContact CZ-OD1 3.71Å; R302-D458 VanDerWaalsContact CZ-OD1 3.27Å; R302-D458 IonicContact NH1-OD1 2.73Å; R302-D458 PolarHBondContact NH1-OD1 2.88Å; R302-D458 IonicContact NH2-OD1 3.18Å; R302-D458 PolarHBondContact NH2-OD1 3.4Å
459	S	47.8	Very low	47.4	Very low	55 Å²	55	75.4 Å²	75.4	39%	0.385	44%	0.437	S	S	.	.	H	α-helix	trans	-56.7	-53.6	168.8	52.5	0	0	0	0	112.4	E457 L461 S462 D463	E457-S459 WeakPolarHBondContact CB-OG 3.23Å; E457-S459 PolarHBondContact O-N 3.16Å; E457-S459 PolarHBondContact OE2-OG 2.93Å; S459-L461 VanDerWaalsContact C-N 3.26Å; S459-L461 PolarHBondContact O-N 2.98Å; S459-S462 WeakPolarHBondContact O-CB 3.48Å; S459-S462 PolarHBondContact O-N 3Å; S459-S462 PolarHBondContact O-OG 3.45Å; S459-D463 PolarHBondContact O-N 3.13Å
460	M	54.1	Low	46.7	Very low	71 Å²	71	76.1 Å²	76.1	35%	0.35	45%	0.452	S	S	.	.	H	α-helix	trans	-58.8	-34	-174.5	-69.9	-175.8	166.9	0	0	113.2	M304 E457 S462 L464	M304-M460 HydrophobicContact SD-CE 4.37Å; M304-M460 HydrophobicContact SD-SD 3.83Å; E457-M460 HydrophobicContact CB-CG 4.22Å; E457-M460 WeakPolarHBondContact O-CB 3.21Å; E457-M460 PolarHBondContact O-N 3.11Å; E457-M460 VanDerWaalsContact O-N 3.11Å; M460-S462 VanDerWaalsContact C-N 3.27Å; M460-S462 PolarHBondContact O-N 3.46Å; M460-L464 WeakPolarHBondContact O-CG 3.28Å
461	L	54.1	Low	45.9	Very low	32 Å²	32	85.1 Å²	85.1	17%	0.168	49%	0.492	C	S	.	.	H	α-helix	trans	-69.7	-24.7	178	-66.3	179.4	0	0	0	112.9	V456 S459	V456-L461 HydrophobicContact CG1-CD1 3.86Å; V456-L461 HydrophobicContact CG1-CD2 3.84Å; V456-L461 HydrophobicContact CG1-CG 3.58Å; S459-L461 VanDerWaalsContact C-N 3.26Å; S459-L461 PolarHBondContact O-N 2.98Å
462	S	48.5	Very low	45.2	Very low	56 Å²	56	86.7 Å²	86.7	39%	0.392	51%	0.505	S	S	.	.	H	α-helix	trans	-86.5	-26.8	-175.7	80.1	0	0	0	0	114	S459 M460 K466	S459-S462 WeakPolarHBondContact O-CB 3.48Å; S459-S462 PolarHBondContact O-N 3Å; S459-S462 PolarHBondContact O-OG 3.45Å; M460-S462 VanDerWaalsContact C-N 3.27Å; M460-S462 PolarHBondContact O-N 3.46Å; S462-K466 WeakPolarHBondContact O-CE 3.48Å
463	D	48.2	Very low	44	Very low	100 Å²	100	89.8 Å²	89.8	54%	0.535	53%	0.532	S	S	.	.	H	α-helix	trans	-87.8	-31.8	-179.4	-72.8	-23.1	0	0	0	113	S459 G465 K466	S459-D463 PolarHBondContact O-N 3.13Å; D463-G465 PolarHBondContact O-N 2.86Å; D463-G465 VanDerWaalsContact O-N 3.07Å; D463-K466 PolarHBondContact O-N 2.71Å
464	L	49.9	Very low	42.7	Very low	68 Å²	68	89.1 Å²	89.1	36%	0.356	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-20.8	173.5	-76.6	171	0	0	0	113.4	Y330 L334 M460	Y330-L464 HydrophobicContact CD2-CD1 4.22Å; Y330-L464 HydrophobicContact CE2-CD1 3.86Å; L334-L464 HydrophobicContact CD2-CD1 4.42Å; L334-L464 HydrophobicContact CD2-CD2 3.84Å; M460-L464 WeakPolarHBondContact O-CG 3.28Å
465	G	39	Very low	41.1	Very low	71 Å²	71	95.5 Å²	95.5	73%	0.732	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-7.6	175.5	0	0	0	0	0	115.7	D463	D463-G465 PolarHBondContact O-N 2.86Å; D463-G465 VanDerWaalsContact O-N 3.07Å
466	K	40.8	Very low	39.6	Very low	145 Å²	145	98.3 Å²	98.3	63%	0.63	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.3	-23.8	-172	-65.7	172.3	-170.4	158.8	0	114.1	S462 D463 A468	S462-K466 WeakPolarHBondContact O-CE 3.48Å; D463-K466 PolarHBondContact O-N 2.71Å; K466-A468 PolarHBondContact O-N 3.44Å; K466-A468 VanDerWaalsContact O-N 3.07Å
467	S	30.6	Very low	38.2	Very low	118 Å²	118	106.2 Å²	106.2	83%	0.825	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	64.1	-172	-157.6	0	0	0	0	113.5
468	A	30.7	Very low	36.8	Very low	100 Å²	100	105 Å²	105	83%	0.826	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.8	-16	174.1	0	0	0	0	0	114.7	K466 V470	K466-A468 PolarHBondContact O-N 3.44Å; K466-A468 VanDerWaalsContact O-N 3.07Å; A468-V470 PolarHBondContact O-N 2.97Å
469	L	30	Very low	35.6	Very low	165 Å²	165	109.8 Å²	109.8	86%	0.864	68%	0.683	S	S	*	*	S	Bend	trans	-88.8	108.3	-179	-160.3	74.2	0	0	0	111.5
470	V	28.9	Very low	34.8	Very low	113 Å²	113	113.3 Å²	113.3	69%	0.685	70%	0.702	S	S	*	*			trans	20.6	115.5	158.9	-174.7	0	0	0	0	117.9	A468 T472	A468-V470 PolarHBondContact O-N 2.97Å; V470-T472 HydrophobicContact CG1-CG2 4.34Å; V470-T472 PolarHBondContact O-N 3.42Å
471	K	24.3	Very low	33.5	Very low	213 Å²	213	116.7 Å²	116.7	93%	0.926	72%	0.722	S	S	*	*			trans	-67.6	115.9	162.5	-66.3	178.5	179.9	178.5	0	111.3
472	T	29	Very low	32.3	Very low	128 Å²	128	124.4 Å²	124.4	79%	0.785	76%	0.757	S	S	*	*			trans	-137.7	117.1	151.5	48	0	0	0	0	110	V470	V470-T472 HydrophobicContact CG1-CG2 4.34Å; V470-T472 PolarHBondContact O-N 3.42Å
473	S	26.9	Very low	31.3	Very low	131 Å²	131	133.1 Å²	133.1	92%	0.916	78%	0.781	S	S	*	*			trans	-82.6	127.2	173.8	50.5	0	0	0	0	110.9
474	G	28.5	Very low	30.4	Very low	77 Å²	77	134.2 Å²	134.2	79%	0.794	80%	0.797	S	S	*	*			trans	-159.7	114.2	173.1	0	0	0	0	0	111
475	V	27.5	Very low	29.1	Very low	152 Å²	152	136.5 Å²	136.5	92%	0.921	82%	0.818	S	S	*	*			trans	-93	138	177.9	175.3	0	0	0	0	109.3
476	G	28.6	Very low	28.6	Very low	72 Å²	72	139.8 Å²	139.8	74%	0.742	82%	0.824	S	S	*	*			trans	-169.8	93.8	174.6	0	0	0	0	0	112.3
477	N	26.8	Very low	27.8	Very low	169 Å²	169	141.2 Å²	141.2	90%	0.904	83%	0.833	S	S	*	*			trans	-72.3	131.5	171.8	-83.2	-12.7	0	0	0	110.4
478	G	28.2	Very low	27.6	Very low	73 Å²	73	143.5 Å²	143.5	75%	0.753	84%	0.835	S	S	*	*			trans	-141.7	95.6	172.9	0	0	0	0	0	110.9	V480	G478-V480 PolarHBondContact O-N 2.67Å
479	F	25.7	Very low	27.2	Very low	197 Å²	197	143.5 Å²	143.5	86%	0.864	83%	0.827	S	S	*	*			trans	-74.7	117.9	172.1	-107	-96.4	0	0	0	109.8
480	V	30.6	Very low	26.9	Very low	129 Å²	129	144.2 Å²	144.2	78%	0.782	83%	0.83	S	S	*	*			trans	-134.3	112.4	157	-178	0	0	0	0	108	G478	G478-V480 PolarHBondContact O-N 2.67Å
481	N	25.9	Very low	26.7	Very low	142 Å²	142	143 Å²	143	76%	0.759	83%	0.832	S	S	*	*			trans	-79.2	129.6	161.6	-82.4	-38.5	0	0	0	107.9
482	E	30.8	Very low	26.7	Very low	193 Å²	193	138.7 Å²	138.7	90%	0.902	83%	0.829	S	S	*	*			trans	-146.4	156.8	144	-142.9	157.8	-142.4	0	0	112
483	R	25.8	Very low	26.4	Very low	239 Å²	239	142.1 Å²	142.1	90%	0.902	83%	0.833	S	S	*	*			trans	-110	134	-165.5	-62.8	166.8	171.4	156.3	-7.4	111
484	S	29.3	Very low	26.2	Very low	123 Å²	123	140.1 Å²	140.1	86%	0.86	82%	0.819	S	S	*	*			trans	-156	119	142.9	45.5	0	0	0	0	110.3
485	S	23.8	Very low	26.1	Very low	116 Å²	116	140.4 Å²	140.4	81%	0.811	81%	0.814	S	S	*	*			trans	-88.1	129.6	176.8	-52.3	0	0	0	0	110.2
486	V	27.6	Very low	25.9	Very low	140 Å²	140	142.2 Å²	142.2	85%	0.848	81%	0.81	S	S	*	*			trans	-133.8	96.1	151.6	-176.9	0	0	0	0	107
487	E	24.7	Very low	25.7	Very low	176 Å²	176	142.2 Å²	142.2	82%	0.822	79%	0.79	S	S	*	*			trans	-72.6	150.2	160.6	-61.5	179.7	126	0	0	109.1
488	L	25.7	Very low	25.7	Very low	165 Å²	165	137.2 Å²	137.2	86%	0.864	76%	0.761	S	S	*	*			trans	155.7	141.9	151.8	-88.5	168.1	0	0	0	109.4
489	P	23	Very low	25.5	Very low	101 Å²	101	137.5 Å²	137.5	66%	0.656	75%	0.752	S	S	*	*				-125.6	-179.7	-53.1	34.4	-20	0	0	0	111.5	A491	P489-A491 PolarHBondContact O-N 3.15Å; P489-A491 VanDerWaalsContact O-N 3.14Å
490	L	23.8	Very low	25.8	Very low	179 Å²	179	131.3 Å²	131.3	94%	0.937	73%	0.725	S	S	*	*			trans	-58.3	114.7	159.7	-112.9	66.1	0	0	0	109.4
491	A	23.5	Very low	25.6	Very low	88 Å²	88	129.7 Å²	129.7	73%	0.727	72%	0.715	S	S	*	*			trans	-114.4	74.6	178.6	0	0	0	0	0	110.8	P489 F493	P489-A491 PolarHBondContact O-N 3.15Å; P489-A491 VanDerWaalsContact O-N 3.14Å; A491-F493 PolarHBondContact O-N 2.87Å
492	S	24.5	Very low	25.7	Very low	122 Å²	122	125.9 Å²	125.9	85%	0.853	70%	0.697	S	S	*	*			trans	-66	122.2	164.4	50.5	0	0	0	0	109.7
493	F	22.5	Very low	25.5	Very low	201 Å²	201	121.7 Å²	121.7	88%	0.882	69%	0.686	S	S	*	*			trans	-135.8	146.3	176.8	-170.9	-106.6	0	0	0	111.9	A491	A491-F493 PolarHBondContact O-N 2.87Å
494	S	24.1	Very low	25.7	Very low	89 Å²	89	116.6 Å²	116.6	62%	0.622	68%	0.681	S	S	*	*			trans	-111.6	146.2	-170.7	170.9	0	0	0	0	111.7
495	A	25.1	Very low	25.6	Very low	83 Å²	83	120 Å²	120	69%	0.686	68%	0.684	S	S	*	*			trans	-162.4	96	153.4	0	0	0	0	0	114.4
496	K	24.3	Very low	25.8	Very low	190 Å²	190	118.9 Å²	118.9	83%	0.826	68%	0.681	S	S	*	*				46	110.5	122.3	-63.2	175.7	-178.5	178.3	0	119.4
497	H	24.8	Very low	25.8	Very low	71 Å²	71	117.5 Å²	117.5	33%	0.329	68%	0.678	S	S	.	*			trans	-13.2	133	142.8	-89.9	79.8	0	0	0	118.2	L540	H497-L540 VanDerWaalsContact CD2-CD1 3.48Å; H497-L540 WeakPolarHBondContact CD2-CD1 3.48Å; H497-L540 WeakPolarHBondContact NE2-CD1 3.3Å
498	Q	26.2	Very low	26	Very low	64 Å²	64	115.8 Å²	115.8	30%	0.299	68%	0.675	S	S	.	*			trans	-159.5	93.3	148.1	-144.6	167.3	-34	0	0	110.6	S133 F134	S133-Q498 CarbonylContact C-O 3.56Å; S133-Q498 VanDerWaalsContact CA-O 3.24Å; S133-Q498 WeakPolarHBondContact CA-O 3.16Å; S133-Q498 VanDerWaalsContact CB-O 3.28Å; S133-Q498 WeakPolarHBondContact CB-O 3.44Å; F134-Q498 HydrophobicContact CB-CB 4.43Å; F134-Q498 PolarHBondContact N-O 2.92Å
499	S	24.4	Very low	26.1	Very low	80 Å²	80	117 Å²	117	56%	0.559	67%	0.673	S	S	*	*			trans	-77.2	148.7	157.4	41.2	0	0	0	0	109.1
500	F	30.9	Very low	26.4	Very low	67 Å²	67	118.9 Å²	118.9	29%	0.294	68%	0.683	S	S	.	*			trans	-139.5	142.3	176.2	78.7	-68.3	0	0	0	110.4	F134 V502	F134-F500 HydrophobicContact CB-CD1 3.68Å; F134-F500 HydrophobicContact CB-CE1 4.11Å; F134-F500 HydrophobicContact CB-CG 4.35Å; F134-F500 AromaticContact CD2-CD1 3.79Å; F134-F500 HydrophobicContact CD2-CD1 3.79Å; F134-F500 HydrophobicContact CD2-CD2 4.24Å; F134-F500 AromaticContact CD2-CE1 3.77Å; F134-F500 HydrophobicContact CD2-CE1 3.77Å; F134-F500 HydrophobicContact CD2-CE2 4.21Å; F134-F500 HydrophobicContact CD2-CG 4.03Å; F134-F500 AromaticContact CD2-CZ 3.98Å; F134-F500 HydrophobicContact CD2-CZ 3.98Å; F134-F500 HydrophobicContact CG-CD1 4.24Å; F134-F500 HydrophobicContact CG-CE1 4.43Å; F500-V502 HydrophobicContact CD2-CG2 4.15Å; F500-V502 HydrophobicContact CE2-CG2 3.75Å
501	T	27.6	Very low	26.4	Very low	95 Å²	95	118.2 Å²	118.2	58%	0.583	68%	0.677	S	S	*	*			trans	-114.5	121.4	178.7	-36.4	0	0	0	0	108.4	N552	T501-N552 WeakPolarHBondContact CB-OD1 3.42Å; T501-N552 PolarHBondContact OG1-OD1 3.17Å
502	V	28	Very low	26.6	Very low	61 Å²	61	122.6 Å²	122.6	37%	0.37	69%	0.687	S	S	.	*			trans	-79.1	131.1	173.6	-179.5	0	0	0	0	108.2	Q173 F500	Q173-V502 HydrophobicContact CG-CG2 4.46Å; F500-V502 HydrophobicContact CD2-CG2 4.15Å; F500-V502 HydrophobicContact CE2-CG2 3.75Å
503	P	26.7	Very low	26.6	Very low	105 Å²	105	121.5 Å²	121.5	68%	0.682	68%	0.679	S	S	*	*			trans	-72.4	148.8	-172.2	28.8	-35.9	0	0	0	112.9
504	V	28.8	Very low	26.8	Very low	132 Å²	132	120.3 Å²	120.3	80%	0.8	68%	0.681	S	S	*	*			trans	-109.8	116.5	164.9	177.5	0	0	0	0	107.8	A506	V504-A506 PolarHBondContact O-N 2.81Å
505	E	26.8	Very low	26.8	Very low	196 Å²	196	121.8 Å²	121.8	92%	0.916	69%	0.686	S	S	*	*			trans	-70.9	93	175.3	-70.7	-166.1	135.5	0	0	111.2	S507	E505-S507 PolarHBondContact O-N 2.95Å
506	A	28.9	Very low	26.9	Very low	91 Å²	91	122.7 Å²	122.7	75%	0.752	69%	0.687	S	S	*	*			trans	-91.5	83.6	168.3	0	0	0	0	0	110.3	V504 D508	V504-A506 PolarHBondContact O-N 2.81Å; A506-D508 PolarHBondContact O-N 2.87Å; A506-D508 VanDerWaalsContact O-N 3.08Å
507	S	27.2	Very low	27.1	Very low	111 Å²	111	118.9 Å²	118.9	78%	0.776	69%	0.685	S	S	*	*			trans	-71	97.6	170.1	171.6	0	0	0	0	110.8	E505	E505-S507 PolarHBondContact O-N 2.95Å
508	D	30	Very low	27.5	Very low	141 Å²	141	121 Å²	121	75%	0.754	71%	0.705	S	S	*	*				-166	168.5	120	-124.5	-42	0	0	0	115.3	A506	A506-D508 PolarHBondContact O-N 2.87Å; A506-D508 VanDerWaalsContact O-N 3.08Å
509	K	27.4	Very low	27.5	Very low	191 Å²	191	123.5 Å²	123.5	83%	0.83	73%	0.729	S	S	*	*			trans	-93.3	112.5	-169.1	-58.4	156.4	-174.1	159.2	0	113.5
510	T	29.5	Very low	27.6	Very low	140 Å²	140	128.5 Å²	128.5	86%	0.859	75%	0.749	S	S	*	*			trans	-150.5	135.9	148.2	-20.7	0	0	0	0	112.1
511	M	24.2	Very low	27.6	Very low	165 Å²	165	129.9 Å²	129.9	81%	0.813	77%	0.767	S	S	*	*			trans	-76	148.7	162.3	-58.8	-166.9	-45.6	0	0	110.2
512	L	27	Very low	27.7	Very low	179 Å²	179	133.6 Å²	133.6	94%	0.937	78%	0.782	S	S	*	*			trans	-135.6	127.2	137.5	-75.9	180	0	0	0	108.9
513	S	24.2	Very low	28	Very low	99 Å²	99	137 Å²	137	69%	0.692	80%	0.799	S	S	*	*			trans	-92.7	151.5	165.3	54	0	0	0	0	109.6
514	L	27.2	Very low	28.5	Very low	176 Å²	176	139.7 Å²	139.7	92%	0.921	81%	0.807	S	S	*	*			trans	-150.3	155.8	159.6	-112.8	161.1	0	0	0	109.8
515	V	24.5	Very low	28.9	Very low	121 Å²	121	141.2 Å²	141.2	73%	0.733	81%	0.809	S	S	*	*			trans	-122.8	169.7	-160.2	172.4	0	0	0	0	109.7
516	S	27.2	Very low	29.5	Very low	101 Å²	101	135.9 Å²	135.9	71%	0.706	79%	0.79	S	S	*	*			trans	71.4	93.2	167.4	43.2	0	0	0	0	118.2
517	S	27.7	Very low	29.9	Very low	111 Å²	111	136 Å²	136	78%	0.776	78%	0.783	S	S	*	*				34.1	158.3	96.3	-44.6	0	0	0	0	120.1
518	P	34	Very low	30.1	Very low	116 Å²	116	135.8 Å²	135.8	75%	0.753	79%	0.787	S	S	*	*			cis	-138.8	162.6	-38.4	37.8	-22.3	0	0	0	113.7
519	S	26.2	Very low	30.5	Very low	116 Å²	116	135.3 Å²	135.3	81%	0.811	79%	0.785	S	S	*	*			trans	146.1	115.4	140.1	56.8	0	0	0	0	114.2
520	L	26.2	Very low	31.1	Very low	184 Å²	184	132 Å²	132	96%	0.963	79%	0.786	S	S	*	*			trans	-146.2	147	150.2	-79.8	-175.6	0	0	0	108.1
521	S	30.7	Very low	31.9	Very low	96 Å²	96	134.3 Å²	134.3	67%	0.671	79%	0.787	S	S	*	*			trans	-95.7	123.5	-171.1	54.8	0	0	0	0	112.7	N523	S521-N523 PolarHBondContact O-N 3.09Å
522	L	29.4	Very low	32.9	Very low	173 Å²	173	129.9 Å²	129.9	91%	0.906	77%	0.766	S	S	*	*			trans	-66.1	96.3	172.1	-174.8	77	0	0	0	110.6
523	N	34.4	Very low	34	Very low	134 Å²	134	128.4 Å²	128.4	72%	0.717	75%	0.753	S	S	*	*			trans	-156.6	7.8	-178.5	-99.8	-37.1	0	0	0	115.8	S521 I525	S521-N523 PolarHBondContact O-N 3.09Å; N523-I525 PolarHBondContact O-N 3.3Å
524	D	36.6	Very low	35.2	Very low	161 Å²	161	125 Å²	125	86%	0.861	73%	0.727	S	S	*	*			trans	-74.4	122.7	179.8	-78.2	-45.9	0	0	0	112	V526	D524-V526 PolarHBondContact O-N 3.07Å
525	I	38.7	Very low	36.5	Very low	163 Å²	163	118.2 Å²	118.2	84%	0.836	69%	0.694	S	S	*	*			trans	-89.8	104.7	-178.9	-57.6	174	0	0	0	109	N523	N523-I525 PolarHBondContact O-N 3.3Å
526	V	38.6	Very low	37.7	Very low	85 Å²	85	116.5 Å²	116.5	52%	0.515	68%	0.681	S	S	.	*			trans	-81.2	121.7	172.3	-176	0	0	0	0	109.4	D524	D524-V526 PolarHBondContact O-N 3.07Å
527	P	36.4	Very low	39.3	Very low	93 Å²	93	115.1 Å²	115.1	60%	0.604	67%	0.665	S	S	*	*			trans	-74.1	127.7	177	29.8	-33.3	0	0	0	111	D529	P527-D529 VanDerWaalsContact C-N 3.31Å; P527-D529 PolarHBondContact O-N 2.92Å
528	A	31.5	Very low	40.7	Very low	106 Å²	106	111.4 Å²	111.4	88%	0.876	64%	0.641	S	S	*	*			trans	-83.9	62.4	-176.3	0	0	0	0	0	113.3	S530	A528-S530 PolarHBondContact O-N 3.31Å
529	D	38.1	Very low	41.7	Very low	132 Å²	132	109.8 Å²	109.8	71%	0.706	63%	0.626	S	S	*	*			trans	-79.1	110.7	165.9	-92.2	-39.5	0	0	0	109.7	P527 Q531	P527-D529 VanDerWaalsContact C-N 3.31Å; P527-D529 PolarHBondContact O-N 2.92Å; D529-Q531 PolarHBondContact O-N 3.45Å
530	S	40.8	Very low	43.1	Very low	120 Å²	120	107 Å²	107	84%	0.839	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	25.4	-161.1	56.5	0	0	0	0	116.6	A528	A528-S530 PolarHBondContact O-N 3.31Å
531	Q	46.4	Very low	44.7	Very low	189 Å²	189	100.1 Å²	100.1	88%	0.883	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.6	-7.6	-178.5	-63.9	-170.1	-3	0	0	115.7	D529 F533	D529-Q531 PolarHBondContact O-N 3.45Å; Q531-F533 PolarHBondContact O-N 3.49Å
532	D	46.2	Very low	45.9	Very low	72 Å²	72	98.1 Å²	98.1	39%	0.385	56%	0.556	S	S	.	*			trans	-91.6	104.6	-175.2	-155.3	4.4	0	0	0	111.7	R242 D534 S535	R242-D532 VanDerWaalsContact NH2-CG 3.33Å; R242-D532 IonicContact NH2-OD1 2.66Å; R242-D532 PolarHBondContact NH2-OD1 3.26Å; R242-D532 IonicContact NH2-OD2 2.74Å; R242-D532 PolarHBondContact NH2-OD2 3.15Å; D532-D534 PolarHBondContact O-N 3.04Å; D532-D534 VanDerWaalsContact O-N 3.11Å; D532-S535 WeakPolarHBondContact O-CB 3.32Å; D532-S535 PolarHBondContact O-N 3.03Å
533	F	49.3	Very low	47.1	Very low	149 Å²	149	92.5 Å²	92.5	65%	0.654	53%	0.527	S	S	*	.	H	α-helix	trans	-60.3	-21.8	-177.5	-138	-83.2	0	0	0	113	Q531 S535	Q531-F533 PolarHBondContact O-N 3.49Å; F533-S535 VanDerWaalsContact C-N 3.27Å; F533-S535 PolarHBondContact O-N 3.08Å
534	D	49.5	Very low	48.3	Very low	26 Å²	26	91.4 Å²	91.4	14%	0.139	51%	0.513	C	S	.	.	H	α-helix	trans	-67.5	-23.4	174.9	-64.9	-109.7	0	0	0	113	R242 D532 A538	R242-D534 IonicContact CZ-OD1 3.79Å; R242-D534 VanDerWaalsContact CZ-OD1 3.23Å; R242-D534 IonicContact CZ-OD2 3.66Å; R242-D534 IonicContact NE-OD1 3.55Å; R242-D534 IonicContact NH1-OD1 2.67Å; R242-D534 PolarHBondContact NH1-OD1 3.4Å; R242-D534 IonicContact NH1-OD2 3.27Å; R242-D534 PolarHBondContact NH1-OD2 3.32Å; R242-D534 VanDerWaalsContact NH2-CG 3.3Å; R242-D534 IonicContact NH2-OD1 2.93Å; R242-D534 IonicContact NH2-OD2 2.74Å; R242-D534 PolarHBondContact NH2-OD2 3.49Å; R242-D534 VanDerWaalsContact NH2-OD2 3.09Å; D532-D534 PolarHBondContact O-N 3.04Å; D532-D534 VanDerWaalsContact O-N 3.11Å; D534-A538 PolarHBondContact O-N 2.81Å; D534-A538 VanDerWaalsContact O-N 3.07Å
535	S	53.9	Low	49.3	Very low	34 Å²	34	89.3 Å²	89.3	24%	0.238	50%	0.502	C	S	.	.	H	α-helix	trans	-71	-39.9	178	-64.4	0	0	0	0	112.9	D532 F533 L537 A538 L539	D532-S535 WeakPolarHBondContact O-CB 3.32Å; D532-S535 PolarHBondContact O-N 3.03Å; F533-S535 VanDerWaalsContact C-N 3.27Å; F533-S535 PolarHBondContact O-N 3.08Å; S535-L537 VanDerWaalsContact C-N 3.33Å; S535-L537 PolarHBondContact O-N 3.49Å; S535-A538 WeakPolarHBondContact O-CB 3.48Å; S535-A538 PolarHBondContact O-N 3.03Å; S535-L539 PolarHBondContact O-N 3.24Å
536	D	50.8	Low	50	Low	86 Å²	86	85.5 Å²	85.5	46%	0.46	50%	0.495	S	S	.	.	H	α-helix	trans	-65.1	-39.2	177	-74.5	-2.3	0	0	0	111.2	L539 L540	D536-L539 PolarHBondContact O-N 3.2Å; D536-L540 PolarHBondContact O-N 2.89Å
537	L	59.7	Low	50.7	Low	72 Å²	72	85.1 Å²	85.1	38%	0.377	49%	0.493	S	S	.	.	H	α-helix	trans	-66.3	-41.6	176	-173	64.1	0	0	0	110.8	L241 S535 L539 L540 T541	L241-L537 HydrophobicContact CD1-CB 4.06Å; L241-L537 HydrophobicContact CD1-CD2 4.03Å; L241-L537 HydrophobicContact CD1-CG 3.96Å; S535-L537 VanDerWaalsContact C-N 3.33Å; S535-L537 PolarHBondContact O-N 3.49Å; L537-L539 VanDerWaalsContact C-N 3.34Å; L537-L539 PolarHBondContact O-N 2.79Å; L537-L540 PolarHBondContact O-N 2.84Å; L537-T541 PolarHBondContact O-N 3.09Å; L537-T541 PolarHBondContact O-OG1 3.34Å; L537-T541 VanDerWaalsContact O-OG1 3.09Å
538	A	57.1	Low	51.4	Low	33 Å²	33	83.8 Å²	83.8	27%	0.273	50%	0.496	S	S	.	.	H	α-helix	trans	-59.2	-43.8	174.4	0	0	0	0	0	112.3	L241 D534 S535 T541 A542	L241-A538 HydrophobicContact CD1-CB 3.97Å; L241-A538 HydrophobicContact CD2-CB 3.86Å; L241-A538 HydrophobicContact CG-CB 4.49Å; D534-A538 PolarHBondContact O-N 2.81Å; D534-A538 VanDerWaalsContact O-N 3.07Å; S535-A538 WeakPolarHBondContact O-CB 3.48Å; S535-A538 PolarHBondContact O-N 3.03Å; A538-T541 PolarHBondContact O-N 2.73Å; A538-A542 WeakPolarHBondContact O-CB 3.27Å; A538-A542 PolarHBondContact O-N 3.13Å
539	L	55.1	Low	52.4	Low	82 Å²	82	82.9 Å²	82.9	43%	0.429	48%	0.476	S	S	.	.	H	α-helix	trans	-62.9	-43.4	177.4	-178.3	61.5	0	0	0	111.8	S535 D536 L537 A542 I543	S535-L539 PolarHBondContact O-N 3.24Å; D536-L539 PolarHBondContact O-N 3.2Å; L537-L539 VanDerWaalsContact C-N 3.34Å; L537-L539 PolarHBondContact O-N 2.79Å; L539-A542 PolarHBondContact O-N 2.91Å; L539-I543 HydrophobicContact CD1-CD1 4.33Å; L539-I543 HydrophobicContact CG-CD1 4.09Å; L539-I543 VanDerWaalsContact O-CG1 3.29Å; L539-I543 WeakPolarHBondContact O-CG1 3.39Å; L539-I543 PolarHBondContact O-N 3.03Å
540	L	56.3	Low	52.9	Low	58 Å²	58	80.6 Å²	80.6	30%	0.304	46%	0.464	S	S	.	.	H	α-helix	trans	-67.9	-38.5	177.2	-79.2	163	0	0	0	112.8	H497 D536 L537 A542 I543 Y544	H497-L540 VanDerWaalsContact CD2-CD1 3.48Å; H497-L540 WeakPolarHBondContact CD2-CD1 3.48Å; H497-L540 WeakPolarHBondContact NE2-CD1 3.3Å; D536-L540 PolarHBondContact O-N 2.89Å; L537-L540 PolarHBondContact O-N 2.84Å; L540-A542 VanDerWaalsContact C-N 3.34Å; L540-I543 PolarHBondContact O-N 2.88Å; L540-Y544 WeakPolarHBondContact O-CB 3.49Å; L540-Y544 PolarHBondContact O-N 3.38Å
541	T	58.5	Low	53.2	Low	39 Å²	39	78.7 Å²	78.7	24%	0.239	45%	0.449	C	S	.	.	H	α-helix	trans	-65.8	-35.5	172.5	-57.1	0	0	0	0	112	L537 A538 N545	L537-T541 PolarHBondContact O-N 3.09Å; L537-T541 PolarHBondContact O-OG1 3.34Å; L537-T541 VanDerWaalsContact O-OG1 3.09Å; A538-T541 PolarHBondContact O-N 2.73Å; T541-N545 WeakPolarHBondContact O-CB 3.08Å; T541-N545 PolarHBondContact O-N 2.94Å; T541-N545 PolarHBondContact O-ND2 2.99Å
542	A	56.9	Low	53.3	Low	54 Å²	54	73.7 Å²	73.7	45%	0.446	43%	0.428	S	S	.	.	H	α-helix	trans	-66.3	-44.1	173.4	0	0	0	0	0	112	A538 L539 L540 N545 A546	A538-A542 WeakPolarHBondContact O-CB 3.27Å; A538-A542 PolarHBondContact O-N 3.13Å; L539-A542 PolarHBondContact O-N 2.91Å; L540-A542 VanDerWaalsContact C-N 3.34Å; A542-N545 PolarHBondContact O-N 3.32Å; A542-A546 VanDerWaalsContact O-CB 3.26Å; A542-A546 WeakPolarHBondContact O-CB 3.29Å; A542-A546 PolarHBondContact O-N 3.41Å
543	I	55.2	Low	53.2	Low	55 Å²	55	76.8 Å²	76.8	28%	0.282	44%	0.438	S	S	.	.	H	α-helix	trans	-61.3	-44.8	174.6	-69.1	163.9	0	0	0	110.8	L539 L540 A546 T547	L539-I543 HydrophobicContact CD1-CD1 4.33Å; L539-I543 HydrophobicContact CG-CD1 4.09Å; L539-I543 VanDerWaalsContact O-CG1 3.29Å; L539-I543 WeakPolarHBondContact O-CG1 3.39Å; L539-I543 PolarHBondContact O-N 3.03Å; L540-I543 PolarHBondContact O-N 2.88Å; I543-A546 PolarHBondContact O-N 2.93Å; I543-T547 HydrophobicContact CG2-CG2 4.3Å; I543-T547 WeakPolarHBondContact O-CB 3.46Å; I543-T547 WeakPolarHBondContact O-CG2 3.38Å; I543-T547 PolarHBondContact O-N 3.33Å; I543-T547 PolarHBondContact O-OG1 2.95Å
544	Y	58.7	Low	52.7	Low	111 Å²	111	78.2 Å²	78.2	44%	0.435	44%	0.439	S	S	.	.	H	α-helix	trans	-54	-55.7	174.8	172.9	-104	0	0	0	111.5	L540 A546 T547 G548 L549 P551	L540-Y544 WeakPolarHBondContact O-CB 3.49Å; L540-Y544 PolarHBondContact O-N 3.38Å; Y544-A546 VanDerWaalsContact C-N 3.31Å; Y544-A546 PolarHBondContact O-N 3.11Å; Y544-T547 PolarHBondContact O-N 3.36Å; Y544-G548 PolarHBondContact O-N 3.33Å; Y544-L549 WeakPolarHBondContact CD2-O 3.42Å; Y544-L549 VanDerWaalsContact CE2-O 3.3Å; Y544-L549 WeakPolarHBondContact CE2-O 3.4Å; Y544-P551 HydrophobicContact CD2-CB 4.5Å; Y544-P551 HydrophobicContact CE2-CG 4.49Å
545	N	58.4	Low	52.3	Low	117 Å²	117	80.7 Å²	80.7	63%	0.626	46%	0.456	S	S	*	.	H	α-helix	trans	-64.8	-30.5	-178.8	-72.4	-28.9	0	0	0	113.6	T541 A542	T541-N545 WeakPolarHBondContact O-CB 3.08Å; T541-N545 PolarHBondContact O-N 2.94Å; T541-N545 PolarHBondContact O-ND2 2.99Å; A542-N545 PolarHBondContact O-N 3.32Å
546	A	52.1	Low	51.6	Low	83 Å²	83	85.8 Å²	85.8	69%	0.686	49%	0.485	S	S	*	.	H	α-helix	trans	-82.8	-24.7	180	0	0	0	0	0	114.2	A542 I543 Y544	A542-A546 VanDerWaalsContact O-CB 3.26Å; A542-A546 WeakPolarHBondContact O-CB 3.29Å; A542-A546 PolarHBondContact O-N 3.41Å; I543-A546 PolarHBondContact O-N 2.93Å; Y544-A546 VanDerWaalsContact C-N 3.31Å; Y544-A546 PolarHBondContact O-N 3.11Å
547	T	53.4	Low	50.9	Low	76 Å²	76	88.4 Å²	88.4	47%	0.466	49%	0.493	S	S	.	.	H	α-helix	trans	-114.5	-23.1	-172	62.8	0	0	0	0	114.6	I543 Y544 L549	I543-T547 HydrophobicContact CG2-CG2 4.3Å; I543-T547 WeakPolarHBondContact O-CB 3.46Å; I543-T547 WeakPolarHBondContact O-CG2 3.38Å; I543-T547 PolarHBondContact O-N 3.33Å; I543-T547 PolarHBondContact O-OG1 2.95Å; Y544-T547 PolarHBondContact O-N 3.36Å; T547-L549 HydrophobicContact CG2-CD1 4.42Å; T547-L549 PolarHBondContact O-N 3.32Å; T547-L549 WeakPolarHBondContact OG1-CG 3.26Å; T547-L549 PolarHBondContact OG1-N 3.41Å
548	G	52.1	Low	49.9	Very low	66 Å²	66	88.8 Å²	88.8	68%	0.68	50%	0.498	S	S	*	.			trans	67.4	14.3	-172.5	0	0	0	0	0	114.3	Y544	Y544-G548 PolarHBondContact O-N 3.33Å
549	L	51.2	Low	48.7	Very low	86 Å²	86	94.1 Å²	94.1	45%	0.45	52%	0.517	S	S	.	.			trans	-67.6	143.1	174.8	-71.6	169.1	0	0	0	110.8	Y544 T547 F553	Y544-L549 WeakPolarHBondContact CD2-O 3.42Å; Y544-L549 VanDerWaalsContact CE2-O 3.3Å; Y544-L549 WeakPolarHBondContact CE2-O 3.4Å; T547-L549 HydrophobicContact CG2-CD1 4.42Å; T547-L549 PolarHBondContact O-N 3.32Å; T547-L549 WeakPolarHBondContact OG1-CG 3.26Å; T547-L549 PolarHBondContact OG1-N 3.41Å; L549-F553 HydrophobicContact CB-CD2 4.39Å; L549-F553 HydrophobicContact CD2-CD2 4.4Å; L549-F553 HydrophobicContact CD2-CE2 4.25Å
550	D	49	Very low	47.8	Very low	85 Å²	85	96 Å²	96	46%	0.455	53%	0.532	S	S	.	.			trans	-59.6	133.8	178.8	-178.1	-40.7	0	0	0	111.2	N552 F553	D550-N552 PolarHBondContact O-N 3.35Å; D550-N552 VanDerWaalsContact OD1-CB 3.27Å; D550-N552 WeakPolarHBondContact OD1-CB 3.38Å; D550-N552 PolarHBondContact OD1-N 2.99Å; D550-N552 PolarHBondContact OD1-ND2 2.67Å; D550-F553 HydrophobicContact CB-CD2 3.85Å; D550-F553 HydrophobicContact CB-CE2 4.13Å; D550-F553 WeakPolarHBondContact O-CB 3.47Å; D550-F553 WeakPolarHBondContact O-CD2 3.38Å; D550-F553 PolarHBondContact O-N 2.9Å
551	P	48.5	Very low	46.5	Very low	79 Å²	79	98.6 Å²	98.6	51%	0.513	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.4	-9.1	-178.6	29.6	-38	0	0	0	114.4	Y544 F553	Y544-P551 HydrophobicContact CD2-CB 4.5Å; Y544-P551 HydrophobicContact CE2-CG 4.49Å; P551-F553 VanDerWaalsContact C-N 3.35Å
552	N	48	Very low	45.3	Very low	85 Å²	85	103.4 Å²	103.4	46%	0.455	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.2	0.2	171.9	-54	-76.6	0	0	0	112.9	T501 D550 R554	T501-N552 WeakPolarHBondContact CB-OD1 3.42Å; T501-N552 PolarHBondContact OG1-OD1 3.17Å; D550-N552 PolarHBondContact O-N 3.35Å; D550-N552 VanDerWaalsContact OD1-CB 3.27Å; D550-N552 WeakPolarHBondContact OD1-CB 3.38Å; D550-N552 PolarHBondContact OD1-N 2.99Å; D550-N552 PolarHBondContact OD1-ND2 2.67Å; N552-R554 PolarHBondContact O-N 3.48Å
553	F	44	Very low	44.2	Very low	137 Å²	137	107 Å²	107	60%	0.601	60%	0.6	S	S	*	*			trans	-65.1	123.7	173.7	-97	-85.6	0	0	0	112	L549 D550 P551 T555	L549-F553 HydrophobicContact CB-CD2 4.39Å; L549-F553 HydrophobicContact CD2-CD2 4.4Å; L549-F553 HydrophobicContact CD2-CE2 4.25Å; D550-F553 HydrophobicContact CB-CD2 3.85Å; D550-F553 HydrophobicContact CB-CE2 4.13Å; D550-F553 WeakPolarHBondContact O-CB 3.47Å; D550-F553 WeakPolarHBondContact O-CD2 3.38Å; D550-F553 PolarHBondContact O-N 2.9Å; P551-F553 VanDerWaalsContact C-N 3.35Å; F553-T555 PolarHBondContact O-N 3.4Å; F553-T555 VanDerWaalsContact O-N 3.13Å
554	R	39	Very low	43.2	Very low	178 Å²	178	108.2 Å²	108.2	67%	0.672	61%	0.613	S	S	*	*			trans	-84.1	85.8	177.6	-156.2	-178.5	-154	-175.3	10.9	110.5	N552 T556	N552-R554 PolarHBondContact O-N 3.48Å; R554-T556 PolarHBondContact O-N 2.66Å; R554-T556 VanDerWaalsContact O-N 3.11Å
555	T	40.8	Very low	41.9	Very low	79 Å²	79	109.4 Å²	109.4	49%	0.485	63%	0.632	S	S	.	*			trans	-57.2	111.8	177.2	-51.3	0	0	0	0	111.3	F553 V558	F553-T555 PolarHBondContact O-N 3.4Å; F553-T555 VanDerWaalsContact O-N 3.13Å; T555-V558 HydrophobicContact CG2-CG2 3.52Å
556	T	38.8	Very low	40.5	Very low	140 Å²	140	113.3 Å²	113.3	86%	0.859	65%	0.647	S	S	*	*			trans	-93.6	-28.7	-176.1	47.7	0	0	0	0	114.1	R554	R554-T556 PolarHBondContact O-N 2.66Å; R554-T556 VanDerWaalsContact O-N 3.11Å
557	K	35.6	Very low	39.6	Very low	141 Å²	141	113.6 Å²	113.6	61%	0.613	65%	0.649	S	S	*	*			trans	-145.5	145	174.3	-165.7	-178.9	-171.5	-172.4	0	108.7	E559	K557-E559 HydrophobicContact CD-CG 3.93Å; K557-E559 VanDerWaalsContact CE-OE1 3.28Å; K557-E559 WeakPolarHBondContact CE-OE1 3.28Å; K557-E559 HydrophobicContact CG-CG 4.27Å; K557-E559 IonicContact NZ-OE1 3.57Å; K557-E559 PolarHBondContact NZ-OE1 3.04Å
558	V	39.1	Very low	38.3	Very low	81 Å²	81	119.6 Å²	119.6	49%	0.491	67%	0.671	S	S	.	*			trans	-123.3	116.4	166.9	-179.6	0	0	0	0	106.9	T555 V560	T555-V558 HydrophobicContact CG2-CG2 3.52Å; V558-V560 HydrophobicContact CG1-CG2 4.11Å
559	E	32.9	Very low	37.3	Very low	145 Å²	145	122.1 Å²	122.1	68%	0.678	67%	0.674	S	S	*	*			trans	-96.1	105.9	175.3	-71.3	-176.6	166.5	0	0	109.5	K557 S561	K557-E559 HydrophobicContact CD-CG 3.93Å; K557-E559 VanDerWaalsContact CE-OE1 3.28Å; K557-E559 WeakPolarHBondContact CE-OE1 3.28Å; K557-E559 HydrophobicContact CG-CG 4.27Å; K557-E559 IonicContact NZ-OE1 3.57Å; K557-E559 PolarHBondContact NZ-OE1 3.04Å; E559-S561 PolarHBondContact O-N 3.26Å
560	V	35.6	Very low	36.2	Very low	122 Å²	122	127 Å²	127	74%	0.739	70%	0.695	S	S	*	*			trans	-88.1	84.8	174.3	-175.5	0	0	0	0	108.7	V558 L562	V558-V560 HydrophobicContact CG1-CG2 4.11Å; V560-L562 PolarHBondContact O-N 3.16Å; V560-L562 VanDerWaalsContact O-N 3.15Å
561	S	29.7	Very low	35.4	Very low	112 Å²	112	134.4 Å²	134.4	78%	0.783	73%	0.733	S	S	*	*			trans	-75.7	98.6	174.8	46.5	0	0	0	0	110.8	E559 S563	E559-S561 PolarHBondContact O-N 3.26Å; S561-S563 PolarHBondContact O-N 3.15Å; S561-S563 VanDerWaalsContact O-N 3.16Å
562	L	33	Very low	34.7	Very low	140 Å²	140	137.2 Å²	137.2	73%	0.733	74%	0.744	S	S	*	*			trans	-58.7	117.1	170.1	-85.1	162.4	0	0	0	109.9	V560 S564	V560-L562 PolarHBondContact O-N 3.16Å; V560-L562 VanDerWaalsContact O-N 3.15Å; L562-S564 PolarHBondContact O-N 2.91Å
563	S	33.9	Very low	34	Very low	129 Å²	129	139.9 Å²	139.9	90%	0.902	76%	0.759	S	S	*	*	S	Bend	trans	-76.8	32.3	176.8	68.2	0	0	0	0	113.2	S561	S561-S563 PolarHBondContact O-N 3.15Å; S561-S563 VanDerWaalsContact O-N 3.16Å
564	S	33.2	Very low	33.5	Very low	80 Å²	80	140.1 Å²	140.1	56%	0.559	77%	0.767	S	S	*	*	S	Bend	trans	-165	137.7	171	55.7	0	0	0	0	110.7	L562	L562-S564 PolarHBondContact O-N 2.91Å
565	V	32.4	Very low	33.1	Very low	136 Å²	136	137.8 Å²	137.8	82%	0.824	77%	0.773	S	S	*	*	S	Bend	trans	70.8	128.5	178.1	-167.8	0	0	0	0	115.5
566	Q	29.2	Very low	32.7	Very low	200 Å²	200	141.5 Å²	141.5	94%	0.935	79%	0.791	S	S	*	*			trans	-79.4	117.3	175.8	-62	165.6	-84	0	0	110.4
567	A	31.3	Very low	32.2	Very low	88 Å²	88	141.6 Å²	141.6	73%	0.727	79%	0.787	S	S	*	*			trans	-153.4	101.8	163.8	0	0	0	0	0	109.4
568	E	28	Very low	32	Very low	202 Å²	202	141.6 Å²	141.6	94%	0.944	80%	0.799	S	S	*	*			trans	-78.9	118.2	169.7	-67.2	176.7	142.4	0	0	109.1
569	T	31	Very low	31.5	Very low	120 Å²	120	146.3 Å²	146.3	74%	0.736	82%	0.823	S	S	*	*			trans	-145.8	117.3	167.3	-51.3	0	0	0	0	108.2
570	E	27.9	Very low	31.3	Very low	189 Å²	189	146.4 Å²	146.4	88%	0.883	84%	0.835	S	S	*	*			trans	-75	143.5	171.6	-62.9	-172.2	118.6	0	0	110.9
571	L	30.9	Very low	31	Very low	239 Å²	239	148.6 Å²	148.6	100%	1.251	84%	0.843	S	S	*	*			trans	-148.8	0	177.8	-105.6	168.5	0	0	0	110.5

Retrieved 571 of 571 residues in 330.4 ms (Link to these results)

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