A0A087XB41_POEFO Loading...

Fructose-bisphosphate aldolase

AlphaFold DB (A0A3B3VTT8), UniProt , Accession A0A087XB41, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 364 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	47.3	Very low	85.5	Confident	213 Å²	213	115.1 Å²	115.1	100%	1.049	61%	0.612	S	S	*	*				0	120.8	0	-74.9	-170.5	-86.6	0	0	108	H3	M1-H3 PolarHBondContact O-N 3.22Å
2	T	63.7	Low	86.6	Confident	144 Å²	144	111 Å²	111	88%	0.883	59%	0.587	S	S	*	*			trans	-92.8	89.8	175.3	49.5	0	0	0	0	108.2	Q4	T2-Q4 PolarHBondContact O-N 2.7Å
3	H	78.2	Confident	87.6	Confident	142 Å²	142	108.4 Å²	108.4	66%	0.657	57%	0.568	S	S	*	*			trans	-67.9	130.4	171.6	-72	-80.1	0	0	0	109.1	M1 F5	M1-H3 PolarHBondContact O-N 3.22Å; H3-F5 HydrophobicContact CB-CE2 4.35Å
4	Q	80.8	Confident	88.4	Confident	168 Å²	168	110 Å²	110	79%	0.785	57%	0.568	S	S	*	*			trans	-101.9	121.8	-179.5	-172	177.5	13.8	0	0	109.9	T2	T2-Q4 PolarHBondContact O-N 2.7Å
5	F	90.6	Very high	89.1	Confident	176 Å²	176	107.7 Å²	107.7	77%	0.772	55%	0.554	S	S	*	*			trans	-103.9	110.7	164.5	-61.9	-81.3	0	0	0	107.1	H3 A7	H3-F5 HydrophobicContact CB-CE2 4.35Å; F5-A7 PolarHBondContact O-N 3.25Å; F5-A7 VanDerWaalsContact O-N 3.15Å
6	P	91.4	Very high	89.7	Confident	105 Å²	105	101.1 Å²	101.1	68%	0.682	52%	0.519	S	S	*	.			trans	-60.4	119.1	-177.4	-24.2	34.1	0	0	0	111.2	L8	P6-L8 VanDerWaalsContact C-N 3.32Å
7	A	95.1	Very high	90.2	Very high	41 Å²	41	96.5 Å²	96.5	34%	0.339	50%	0.499	S	S	.	.	S	Bend	trans	-71.1	-28.4	176.9	0	0	0	0	0	112.6	F5 Q180 H221	F5-A7 PolarHBondContact O-N 3.25Å; F5-A7 VanDerWaalsContact O-N 3.15Å; A7-Q180 PolarHBondContact O-NE2 2.85Å; A7-H221 HydrophobicContact CB-CB 4.43Å
8	L	98.2	Very high	90.7	Very high	9 Å²	9	95.2 Å²	95.2	5%	0.047	49%	0.492	C	S	.	.	S	Bend	trans	-137.1	142.6	-175.6	-61.4	170.4	0	0	0	110.6	P6 Q12 K13 L16 Q179 Y223	P6-L8 VanDerWaalsContact C-N 3.32Å; L8-Q12 HydrophobicContact CB-CB 4.18Å; L8-Q12 HydrophobicContact CD2-CB 4.18Å; L8-K13 HydrophobicContact CB-CG 3.92Å; L8-K13 HydrophobicContact CD1-CG 4.28Å; L8-L16 HydrophobicContact CD1-CD1 3.74Å; L8-L16 HydrophobicContact CD2-CD1 4.48Å; L8-Q179 HydrophobicContact CD1-CB 4.17Å; L8-Q179 HydrophobicContact CD2-CB 4.28Å; L8-Y223 HydrophobicContact CD1-CD1 4.38Å; L8-Y223 HydrophobicContact CD1-CG 4.33Å
9	S	98.4	Very high	91.1	Very high	40 Å²	40	90.3 Å²	90.3	28%	0.28	47%	0.467	S	S	.	.			trans	-69.6	162.4	168.9	92.1	0	0	0	0	111.6	E11 Q12 K13	S9-E11 WeakPolarHBondContact CB-OE2 3.31Å; S9-E11 PolarHBondContact O-N 2.92Å; S9-E11 PolarHBondContact OG-N 3.48Å; S9-E11 PolarHBondContact OG-OE2 3.32Å; S9-Q12 PolarHBondContact O-N 3.42Å; S9-Q12 PolarHBondContact OG-N 2.92Å; S9-K13 WeakPolarHBondContact O-CG 3.33Å; S9-K13 PolarHBondContact O-N 3.25Å
10	P	98.5	Very high	91.5	Very high	97 Å²	97	85.8 Å²	85.8	63%	0.63	44%	0.444	S	S	*	.	H	α-helix	trans	-55	-37.9	172.3	-25.8	36	0	0	0	113.6	K13 K14	P10-K13 PolarHBondContact O-N 2.63Å; P10-K14 WeakPolarHBondContact O-CB 3.45Å; P10-K14 PolarHBondContact O-N 2.68Å
11	E	98.6	Very high	91.9	Very high	131 Å²	131	86.1 Å²	86.1	61%	0.612	44%	0.443	S	S	*	.	H	α-helix	trans	-67.9	-44.8	179.7	-58.9	67.5	-142	0	0	111	S9 K13 K14 E15	S9-E11 WeakPolarHBondContact CB-OE2 3.31Å; S9-E11 PolarHBondContact O-N 2.92Å; S9-E11 PolarHBondContact OG-N 3.48Å; S9-E11 PolarHBondContact OG-OE2 3.32Å; E11-K13 VanDerWaalsContact C-N 3.34Å; E11-K13 PolarHBondContact O-N 2.78Å; E11-K14 PolarHBondContact O-N 2.99Å; E11-E15 PolarHBondContact O-N 3.32Å
12	Q	98.8	Very high	94.3	Very high	66 Å²	66	81.8 Å²	81.8	31%	0.308	42%	0.415	S	S	.	.	H	α-helix	trans	-61.8	-42.3	175.1	-69.1	175.6	-52.9	0	0	111.3	L8 S9 E15 L16	L8-Q12 HydrophobicContact CB-CB 4.18Å; L8-Q12 HydrophobicContact CD2-CB 4.18Å; S9-Q12 PolarHBondContact O-N 3.42Å; S9-Q12 PolarHBondContact OG-N 2.92Å; Q12-E15 PolarHBondContact O-N 3.07Å; Q12-L16 WeakPolarHBondContact O-CG 3.49Å; Q12-L16 PolarHBondContact O-N 3.42Å
13	K	98.9	Very high	96	Very high	77 Å²	77	74.9 Å²	74.9	34%	0.335	37%	0.373	S	S	.	.	H	α-helix	trans	-60.9	-44.5	174.8	-74.9	-179.8	177.9	-177.5	0	111.9	L8 S9 P10 E11 S17 Y223	L8-K13 HydrophobicContact CB-CG 3.92Å; L8-K13 HydrophobicContact CD1-CG 4.28Å; S9-K13 WeakPolarHBondContact O-CG 3.33Å; S9-K13 PolarHBondContact O-N 3.25Å; P10-K13 PolarHBondContact O-N 2.63Å; E11-K13 VanDerWaalsContact C-N 3.34Å; E11-K13 PolarHBondContact O-N 2.78Å; K13-S17 WeakPolarHBondContact O-CB 3.43Å; K13-S17 PolarHBondContact O-N 2.89Å; K13-Y223 HydrophobicContact CB-CD1 4.19Å; K13-Y223 HydrophobicContact CB-CE1 3.67Å; K13-Y223 HydrophobicContact CB-CE2 4.37Å; K13-Y223 HydrophobicContact CD-CD2 4.14Å; K13-Y223 HydrophobicContact CD-CE2 3.93Å; K13-Y223 HydrophobicContact CG-CD1 3.95Å; K13-Y223 HydrophobicContact CG-CD2 4.17Å; K13-Y223 HydrophobicContact CG-CE1 3.88Å; K13-Y223 HydrophobicContact CG-CE2 4.09Å; K13-Y223 HydrophobicContact CG-CG 4.08Å; K13-Y223 WeakPolarHBondContact O-CE1 3.25Å
14	K	98.8	Very high	97	Very high	131 Å²	131	68.2 Å²	68.2	57%	0.57	34%	0.342	S	S	*	.	H	α-helix	trans	-61.9	-47.7	178	-173.5	-177	-176.8	-59	0	111	P10 E11 L16 S17 D18	P10-K14 WeakPolarHBondContact O-CB 3.45Å; P10-K14 PolarHBondContact O-N 2.68Å; E11-K14 PolarHBondContact O-N 2.99Å; K14-L16 PolarHBondContact O-N 2.98Å; K14-S17 PolarHBondContact O-N 2.98Å; K14-D18 IonicContact NZ-OD1 3.96Å; K14-D18 IonicContact NZ-OD2 2.63Å; K14-D18 PolarHBondContact NZ-OD2 3.33Å; K14-D18 WeakPolarHBondContact O-CB 3.41Å; K14-D18 PolarHBondContact O-N 3.43Å
15	E	98.8	Very high	97.8	Very high	76 Å²	76	61.5 Å²	61.5	36%	0.355	32%	0.316	S	S	.	.	H	α-helix	trans	-55.9	-52.2	178.2	-175.6	-172.6	-177.2	0	0	111.5	E11 Q12 S17 D18 I19 K139	E11-E15 PolarHBondContact O-N 3.32Å; Q12-E15 PolarHBondContact O-N 3.07Å; E15-S17 PolarHBondContact O-N 3.37Å; E15-D18 PolarHBondContact O-N 2.98Å; E15-I19 HydrophobicContact CG-CD1 3.85Å; E15-I19 WeakPolarHBondContact O-CD1 3.32Å; E15-I19 VanDerWaalsContact O-CG1 3.26Å; E15-I19 WeakPolarHBondContact O-CG1 3.35Å; E15-I19 PolarHBondContact O-N 3.44Å; E15-K139 VanDerWaalsContact OE1-CE 3.24Å; E15-K139 WeakPolarHBondContact OE1-CE 3.44Å; E15-K139 IonicContact OE1-NZ 2.68Å; E15-K139 PolarHBondContact OE1-NZ 2.64Å
16	L	98.9	Very high	98.2	Very high	1 Å²	1	58 Å²	58	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-62.2	-42.5	-179.3	-68.8	166.8	0	0	0	111.9	L8 Q12 K14 I19 A20 Q179 L183 V184	L8-L16 HydrophobicContact CD1-CD1 3.74Å; L8-L16 HydrophobicContact CD2-CD1 4.48Å; Q12-L16 WeakPolarHBondContact O-CG 3.49Å; Q12-L16 PolarHBondContact O-N 3.42Å; K14-L16 PolarHBondContact O-N 2.98Å; L16-I19 PolarHBondContact O-N 3.46Å; L16-A20 WeakPolarHBondContact O-CB 3.48Å; L16-A20 PolarHBondContact O-N 3.46Å; L16-Q179 HydrophobicContact CD1-CB 3.86Å; L16-Q179 HydrophobicContact CD1-CG 3.87Å; L16-L183 VanDerWaalsContact CD2-C 3.49Å; L16-V184 HydrophobicContact CB-CG2 4.26Å; L16-V184 HydrophobicContact CD2-CG2 3.91Å; L16-V184 WeakPolarHBondContact O-CG2 3.34Å
17	S	98.9	Very high	98.5	Very high	24 Å²	24	53.3 Å²	53.3	17%	0.168	28%	0.281	C	S	.	.	H	α-helix	trans	-66	-44	178.8	-164.1	0	0	0	0	111.9	K13 K14 E15 I19 A20 Q21 E225	K13-S17 WeakPolarHBondContact O-CB 3.43Å; K13-S17 PolarHBondContact O-N 2.89Å; K14-S17 PolarHBondContact O-N 2.98Å; E15-S17 PolarHBondContact O-N 3.37Å; S17-I19 VanDerWaalsContact C-N 3.34Å; S17-I19 PolarHBondContact O-N 3.08Å; S17-A20 PolarHBondContact O-N 2.73Å; S17-Q21 WeakPolarHBondContact O-CB 3.43Å; S17-Q21 VanDerWaalsContact O-CG 3.25Å; S17-Q21 WeakPolarHBondContact O-CG 3.26Å; S17-Q21 PolarHBondContact O-N 2.93Å; S17-E225 WeakPolarHBondContact CA-O 3.48Å; S17-E225 PolarHBondContact OG-O 2.88Å
18	D	98.9	Very high	98.7	Very high	72 Å²	72	53.7 Å²	53.7	39%	0.385	28%	0.275	S	S	.	.	H	α-helix	trans	-62.1	-41.1	177.3	-72.2	-15.4	0	0	0	111.6	K14 E15 R22	K14-D18 IonicContact NZ-OD1 3.96Å; K14-D18 IonicContact NZ-OD2 2.63Å; K14-D18 PolarHBondContact NZ-OD2 3.33Å; K14-D18 WeakPolarHBondContact O-CB 3.41Å; K14-D18 PolarHBondContact O-N 3.43Å; E15-D18 PolarHBondContact O-N 2.98Å; D18-R22 VanDerWaalsContact O-CG 3.3Å; D18-R22 WeakPolarHBondContact O-CG 3.16Å; D18-R22 PolarHBondContact O-N 2.83Å; D18-R22 VanDerWaalsContact O-N 3.09Å
19	I	98.9	Very high	98.7	Very high	3 Å²	3	53.2 Å²	53.2	2%	0.015	27%	0.273	C	S	.	.	H	α-helix	trans	-60.7	-52	173.6	-68.3	159.5	0	0	0	110.2	E15 L16 S17 Q21 R22 I23 V104 D144 V184	E15-I19 HydrophobicContact CG-CD1 3.85Å; E15-I19 WeakPolarHBondContact O-CD1 3.32Å; E15-I19 VanDerWaalsContact O-CG1 3.26Å; E15-I19 WeakPolarHBondContact O-CG1 3.35Å; E15-I19 PolarHBondContact O-N 3.44Å; L16-I19 PolarHBondContact O-N 3.46Å; S17-I19 VanDerWaalsContact C-N 3.34Å; S17-I19 PolarHBondContact O-N 3.08Å; I19-Q21 VanDerWaalsContact C-N 3.34Å; I19-Q21 PolarHBondContact O-N 3.14Å; I19-R22 VanDerWaalsContact CG1-NH2 3.25Å; I19-R22 PolarHBondContact O-N 3.4Å; I19-I23 HydrophobicContact CG2-CD1 3.88Å; I19-I23 WeakPolarHBondContact O-CG1 3.37Å; I19-I23 PolarHBondContact O-N 3.39Å; I19-I23 VanDerWaalsContact O-N 3.14Å; I19-V104 HydrophobicContact CG2-CG1 4.23Å; I19-D144 HydrophobicContact CD1-CB 4Å; I19-D144 HydrophobicContact CG1-CB 4.17Å; I19-D144 HydrophobicContact CG2-CB 3.88Å; I19-V184 HydrophobicContact CB-CG2 3.65Å; I19-V184 HydrophobicContact CD1-CG2 4.45Å; I19-V184 HydrophobicContact CG2-CB 4.12Å; I19-V184 HydrophobicContact CG2-CG2 3.5Å; I19-V184 VanDerWaalsContact CG2-CG2 3.5Å
20	A	98.9	Very high	98.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59.7	-44.6	-176.4	0	0	0	0	0	111.5	L16 S17 R22 I23 V24 V184 P266	L16-A20 WeakPolarHBondContact O-CB 3.48Å; L16-A20 PolarHBondContact O-N 3.46Å; S17-A20 PolarHBondContact O-N 2.73Å; A20-R22 PolarHBondContact O-N 3.23Å; A20-I23 PolarHBondContact O-N 3.48Å; A20-V24 WeakPolarHBondContact O-CG2 3.24Å; A20-V24 PolarHBondContact O-N 3.48Å; A20-V184 HydrophobicContact CB-CG1 4.02Å; A20-V184 HydrophobicContact CB-CG2 4.26Å; A20-P266 HydrophobicContact CB-CB 4.47Å; A20-P266 HydrophobicContact CB-CG 3.66Å
21	Q	98.8	Very high	98.8	Very high	93 Å²	93	46.9 Å²	46.9	44%	0.435	23%	0.23	S	C	.	.	H	α-helix	trans	-63.6	-38.5	177.1	-67.6	-70.3	-10.7	0	0	112.8	S17 I19 I23 V24 A25	S17-Q21 WeakPolarHBondContact O-CB 3.43Å; S17-Q21 VanDerWaalsContact O-CG 3.25Å; S17-Q21 WeakPolarHBondContact O-CG 3.26Å; S17-Q21 PolarHBondContact O-N 2.93Å; I19-Q21 VanDerWaalsContact C-N 3.34Å; I19-Q21 PolarHBondContact O-N 3.14Å; Q21-I23 VanDerWaalsContact C-N 3.33Å; Q21-I23 PolarHBondContact O-N 3.19Å; Q21-V24 CarbonylContact O-C 3.59Å; Q21-V24 PolarHBondContact O-N 3.43Å; Q21-A25 PolarHBondContact O-N 3.09Å; Q21-A25 VanDerWaalsContact O-N 3.08Å
22	R	98.7	Very high	98.8	Very high	121 Å²	121	40.7 Å²	40.7	46%	0.457	20%	0.202	S	C	.	.	H	α-helix	trans	-62.6	-39.4	175.3	-78	-174.6	-62.9	133.8	-6.6	112.4	D18 I19 A20 V24 V104	D18-R22 VanDerWaalsContact O-CG 3.3Å; D18-R22 WeakPolarHBondContact O-CG 3.16Å; D18-R22 PolarHBondContact O-N 2.83Å; D18-R22 VanDerWaalsContact O-N 3.09Å; I19-R22 VanDerWaalsContact CG1-NH2 3.25Å; I19-R22 PolarHBondContact O-N 3.4Å; A20-R22 PolarHBondContact O-N 3.23Å; R22-V24 VanDerWaalsContact C-N 3.33Å; R22-V24 PolarHBondContact O-N 3.32Å; R22-V104 HydrophobicContact CB-CG2 4.22Å
23	I	98.8	Very high	98.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.2	-40.8	-179.8	-66.2	165	0	0	0	110.9	I19 A20 Q21 I30 V104 F145 L228	I19-I23 HydrophobicContact CG2-CD1 3.88Å; I19-I23 WeakPolarHBondContact O-CG1 3.37Å; I19-I23 PolarHBondContact O-N 3.39Å; I19-I23 VanDerWaalsContact O-N 3.14Å; A20-I23 PolarHBondContact O-N 3.48Å; Q21-I23 VanDerWaalsContact C-N 3.33Å; Q21-I23 PolarHBondContact O-N 3.19Å; I23-I30 HydrophobicContact CG2-CD1 3.48Å; I23-I30 VanDerWaalsContact CG2-CD1 3.48Å; I23-I30 HydrophobicContact CG2-CG1 3.55Å; I23-V104 HydrophobicContact CD1-CG1 4.31Å; I23-V104 HydrophobicContact CG1-CB 3.93Å; I23-V104 HydrophobicContact CG1-CG1 4.12Å; I23-V104 HydrophobicContact CG1-CG2 3.94Å; I23-F145 HydrophobicContact CD1-CB 3.88Å; I23-F145 HydrophobicContact CD1-CD1 3.64Å; I23-F145 HydrophobicContact CD1-CD2 4.46Å; I23-F145 HydrophobicContact CD1-CE1 4.22Å; I23-F145 HydrophobicContact CD1-CG 3.76Å; I23-F145 HydrophobicContact CG1-CD1 4.37Å; I23-L228 HydrophobicContact CB-CD1 4.04Å; I23-L228 HydrophobicContact CD1-CD1 4Å; I23-L228 HydrophobicContact CG2-CD1 3.67Å
24	V	98.7	Very high	98.7	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.012	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	23.3	-175.2	-56.9	0	0	0	0	114	A20 Q21 R22 L228 C269 K297 T299	A20-V24 WeakPolarHBondContact O-CG2 3.24Å; A20-V24 PolarHBondContact O-N 3.48Å; Q21-V24 CarbonylContact O-C 3.59Å; Q21-V24 PolarHBondContact O-N 3.43Å; R22-V24 VanDerWaalsContact C-N 3.33Å; R22-V24 PolarHBondContact O-N 3.32Å; V24-L228 HydrophobicContact CG1-CD1 4.11Å; V24-L228 HydrophobicContact CG1-CD2 3.56Å; V24-L228 HydrophobicContact CG2-CD2 4.34Å; V24-C269 VanDerWaalsContact CG1-SG 3.51Å; V24-K297 HydrophobicContact CB-CB 4.04Å; V24-K297 HydrophobicContact CB-CG 4.4Å; V24-K297 HydrophobicContact CG2-CB 4.01Å; V24-K297 HydrophobicContact CG2-CG 3.97Å; V24-T299 HydrophobicContact CB-CG2 4.31Å; V24-T299 HydrophobicContact CG1-CG2 3.94Å
25	A	98.7	Very high	98.7	Very high	27 Å²	27	27.8 Å²	27.8	22%	0.223	14%	0.144	C	C	.	.			trans	-53	151.1	176.2	0	0	0	0	0	111.2	Q21 G27 K28	Q21-A25 PolarHBondContact O-N 3.09Å; Q21-A25 VanDerWaalsContact O-N 3.08Å; A25-G27 PolarHBondContact O-N 3.4Å; A25-K28 HydrophobicContact CB-CD 4.11Å; A25-K28 HydrophobicContact CB-CG 4.29Å; A25-K28 VanDerWaalsContact O-CB 3.29Å; A25-K28 WeakPolarHBondContact O-CB 3.39Å; A25-K28 PolarHBondContact O-N 3.47Å
26	P	98.1	Very high	98.5	Very high	101 Å²	101	25.3 Å²	25.3	66%	0.656	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.2	128.7	-175.1	-28	35.2	0	0	0	113.3	K28	P26-K28 VanDerWaalsContact C-N 3.28Å; P26-K28 PolarHBondContact O-N 3.08Å
27	G	98.1	Very high	98.4	Very high	7 Å²	7	27.8 Å²	27.8	7%	0.072	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	82	-2.7	-177.5	0	0	0	0	0	115.1	A25 S73 G336 S339	A25-G27 PolarHBondContact O-N 3.4Å; G27-S73 WeakPolarHBondContact O-CA 3.22Å; G27-G336 WeakPolarHBondContact O-CA 3.19Å; G27-S339 WeakPolarHBondContact CA-OG 3.27Å
28	K	98.9	Very high	98.2	Very high	49 Å²	49	28.7 Å²	28.7	21%	0.213	16%	0.164	C	C	.	.			trans	-107.1	146.2	-178.5	-53.9	-161.9	-171.2	-160.1	0	112.8	A25 P26 A71 S73 T299	A25-K28 HydrophobicContact CB-CD 4.11Å; A25-K28 HydrophobicContact CB-CG 4.29Å; A25-K28 VanDerWaalsContact O-CB 3.29Å; A25-K28 WeakPolarHBondContact O-CB 3.39Å; A25-K28 PolarHBondContact O-N 3.47Å; P26-K28 VanDerWaalsContact C-N 3.28Å; P26-K28 PolarHBondContact O-N 3.08Å; K28-A71 WeakPolarHBondContact CD-O 3.47Å; K28-A71 WeakPolarHBondContact CE-O 3.37Å; K28-A71 PolarHBondContact NZ-O 2.81Å; K28-S73 CarbonylContact C-O 3.5Å; K28-S73 VanDerWaalsContact CA-O 3.29Å; K28-S73 WeakPolarHBondContact CA-O 3.23Å; K28-T299 WeakPolarHBondContact O-CB 3.25Å; K28-T299 PolarHBondContact O-OG1 2.95Å
29	G	98.8	Very high	97.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	-158.2	168.8	0	0	0	0	0	111.8	S73 I74 G75 G76 T299 F300	G29-S73 PolarHBondContact N-O 3.34Å; G29-I74 CarbonylContact O-C 3.51Å; G29-I74 WeakPolarHBondContact O-CA 3.3Å; G29-G75 PolarHBondContact O-N 2.85Å; G29-G76 PolarHBondContact O-N 3.09Å; G29-T299 WeakPolarHBondContact CA-OG1 3.12Å; G29-F300 CarbonylContact C-O 3.59Å; G29-F300 WeakPolarHBondContact CA-O 3.49Å
30	I	98.9	Very high	97.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	131.7	-172.4	-58.4	171.5	0	0	0	110.3	I23 G76 I78 I186 L228 C269 F300 S301 Y302	I23-I30 HydrophobicContact CG2-CD1 3.48Å; I23-I30 VanDerWaalsContact CG2-CD1 3.48Å; I23-I30 HydrophobicContact CG2-CG1 3.55Å; I30-G76 VanDerWaalsContact CA-O 3.26Å; I30-G76 WeakPolarHBondContact CA-O 3.29Å; I30-I78 HydrophobicContact CG2-CD1 3.87Å; I30-I78 HydrophobicContact CG2-CG1 3.45Å; I30-I78 VanDerWaalsContact CG2-CG1 3.45Å; I30-I186 HydrophobicContact CD1-CD1 3.61Å; I30-L228 HydrophobicContact CD1-CD1 4.43Å; I30-C269 HydrophobicContact CD1-CB 4.08Å; I30-F300 PolarHBondContact N-O 3.12Å; I30-S301 WeakPolarHBondContact O-CA 3.36Å; I30-Y302 PolarHBondContact O-N 3.17Å
31	L	98.9	Very high	97.7	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.016	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	114.1	162.6	168.9	63.3	0	0	0	108.9	A33 L63 F64 I74 G76 V77 I78 L306 Q307 F328	L31-A33 HydrophobicContact CD2-CB 4.31Å; L31-A33 HydrophobicContact CG-CB 4.1Å; L31-A33 PolarHBondContact O-N 3.48Å; L31-L63 HydrophobicContact CD2-CB 4.23Å; L31-L63 HydrophobicContact CD2-CD1 4.35Å; L31-F64 HydrophobicContact CD2-CD1 4.43Å; L31-F64 HydrophobicContact CD2-CE1 4.04Å; L31-I74 HydrophobicContact CB-CD1 4.38Å; L31-I74 HydrophobicContact CB-CG2 4.37Å; L31-G76 PolarHBondContact N-O 3.01Å; L31-V77 HydrophobicContact CB-CG2 4.21Å; L31-V77 HydrophobicContact CD2-CG1 4.29Å; L31-V77 HydrophobicContact CD2-CG2 4.35Å; L31-V77 HydrophobicContact CG-CG1 4.44Å; L31-V77 CarbonylContact O-C 3.4Å; L31-V77 WeakPolarHBondContact O-CA 3.43Å; L31-I78 PolarHBondContact O-N 2.88Å; L31-L306 HydrophobicContact CB-CD1 4.3Å; L31-L306 HydrophobicContact CD1-CB 4.2Å; L31-L306 HydrophobicContact CD1-CD1 4.07Å; L31-Q307 HydrophobicContact CD1-CG 4.04Å; L31-F328 HydrophobicContact CD1-CE2 4Å; L31-F328 HydrophobicContact CD2-CE2 4.06Å; L31-F328 HydrophobicContact CD2-CZ 3.83Å; L31-F328 HydrophobicContact CG-CE2 4.48Å
32	A	98.8	Very high	97.5	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.008	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	93.2	172.6	0	0	0	0	0	109.4	I78 Y302 G303 Q307	A32-I78 HydrophobicContact CB-CD1 4.15Å; A32-I78 HydrophobicContact CB-CG1 4.4Å; A32-Y302 PolarHBondContact N-O 2.91Å; A32-G303 WeakPolarHBondContact O-CA 3.23Å; A32-Q307 PolarHBondContact O-NE2 3.22Å
33	A	98.4	Very high	97.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	29	179.6	0	0	0	0	0	111.8	L31 E35 R60 F64 V77 I78	L31-A33 HydrophobicContact CD2-CB 4.31Å; L31-A33 HydrophobicContact CG-CB 4.1Å; L31-A33 PolarHBondContact O-N 3.48Å; A33-E35 WeakPolarHBondContact CA-OE2 3.05Å; A33-R60 PolarHBondContact O-NE 3.08Å; A33-R60 PolarHBondContact O-NH2 2.59Å; A33-R60 VanDerWaalsContact O-NH2 3.1Å; A33-F64 HydrophobicContact CB-CE1 4.15Å; A33-F64 HydrophobicContact CB-CZ 4.11Å; A33-V77 HydrophobicContact CB-CG1 4.34Å; A33-I78 CarbonylContact C-O 3.22Å; A33-I78 VanDerWaalsContact CA-O 3.3Å; A33-I78 WeakPolarHBondContact CA-O 3.49Å; A33-I78 PolarHBondContact N-O 2.99Å
34	D	98.4	Very high	97.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.14	C	C	.	.			trans	-98.8	22.2	-172	64.9	-56.2	0	0	0	113.6	S36 I78 F79 K108 K147	D34-S36 PolarHBondContact O-N 2.97Å; D34-I78 HydrophobicContact CB-CB 3.96Å; D34-I78 HydrophobicContact CB-CG2 3.66Å; D34-I78 PolarHBondContact N-O 3.2Å; D34-F79 WeakPolarHBondContact CB-O 3.29Å; D34-K108 HydrophobicContact CB-CB 3.82Å; D34-K108 HydrophobicContact CB-CD 4.43Å; D34-K147 WeakPolarHBondContact OD2-CD 3.48Å; D34-K147 WeakPolarHBondContact OD2-CE 3.46Å; D34-K147 IonicContact OD2-NZ 2.64Å; D34-K147 PolarHBondContact OD2-NZ 3.28Å
35	E	97.5	Very high	97.1	Very high	3 Å²	3	29 Å²	29	1%	0.014	17%	0.171	C	C	.	.			trans	-57.8	129.2	173.9	-61.5	82.4	-173.6	0	0	110.6	A33 T39 M40 R43 R60 Q307	A33-E35 WeakPolarHBondContact CA-OE2 3.05Å; E35-T39 HydrophobicContact CB-CG2 3.66Å; E35-T39 HydrophobicContact CG-CG2 3.62Å; E35-M40 HydrophobicContact CB-CG 3.67Å; E35-M40 HydrophobicContact CB-SD 3.76Å; E35-M40 HydrophobicContact CG-SD 4.1Å; E35-R43 VanDerWaalsContact CD-CZ 3.47Å; E35-R43 VanDerWaalsContact CG-CZ 3.48Å; E35-R43 IonicContact OE1-CZ 3.94Å; E35-R43 IonicContact OE1-NE 2.69Å; E35-R43 IonicContact OE1-NH1 3.44Å; E35-R43 PolarHBondContact OE1-NH1 3.04Å; E35-R43 IonicContact OE1-NH2 3.36Å; E35-R43 PolarHBondContact OE1-NH2 3.16Å; E35-R60 IonicContact OE2-CZ 3.49Å; E35-R60 IonicContact OE2-NH1 3.66Å; E35-R60 IonicContact OE2-NH2 2.72Å; E35-R60 PolarHBondContact OE2-NH2 3.27Å; E35-Q307 PolarHBondContact OE1-NE2 3.2Å; E35-Q307 VanDerWaalsContact OE1-NE2 3.15Å
36	S	95.3	Very high	96.8	Very high	24 Å²	24	34.4 Å²	34.4	17%	0.168	19%	0.19	C	C	.	.			trans	-62.3	166.9	171.2	73.4	0	0	0	0	111	D34 G38 T39 M40 Y364	D34-S36 PolarHBondContact O-N 2.97Å; S36-G38 PolarHBondContact O-N 2.92Å; S36-G38 PolarHBondContact OG-N 3.48Å; S36-T39 PolarHBondContact O-N 3.38Å; S36-T39 VanDerWaalsContact O-N 3.08Å; S36-T39 PolarHBondContact OG-N 3.13Å; S36-T39 VanDerWaalsContact OG-N 3.16Å; S36-M40 PolarHBondContact O-N 3.33Å; S36-Y364 WeakPolarHBondContact CB-OXT 3.43Å; S36-Y364 PolarHBondContact OG-OXT 3.4Å
37	T	96.5	Very high	96.7	Very high	54 Å²	54	30.9 Å²	30.9	33%	0.331	17%	0.165	S	C	.	.	H	α-helix	trans	-52.7	-40.3	173.3	-49.7	0	0	0	0	112.2	A41 N51	T37-A41 PolarHBondContact O-N 2.64Å; T37-N51 PolarHBondContact O-ND2 3.46Å
38	G	94.9	Very high	96.6	Very high	43 Å²	43	38 Å²	38	44%	0.443	20%	0.201	S	C	.	.	H	α-helix	trans	-69.9	-38.3	178	0	0	0	0	0	113.2	S36 A41 K42	S36-G38 PolarHBondContact O-N 2.92Å; S36-G38 PolarHBondContact OG-N 3.48Å; G38-A41 VanDerWaalsContact O-CB 3.3Å; G38-A41 WeakPolarHBondContact O-CB 3.31Å; G38-A41 PolarHBondContact O-N 2.67Å; G38-K42 PolarHBondContact O-N 2.96Å
39	T	93.8	Very high	96.6	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	20%	0.196	C	C	.	.	H	α-helix	trans	-71.3	-38.5	175.7	-75.7	0	0	0	0	112.5	E35 S36 A41 K42 R43 Y362 Y364	E35-T39 HydrophobicContact CB-CG2 3.66Å; E35-T39 HydrophobicContact CG-CG2 3.62Å; S36-T39 PolarHBondContact O-N 3.38Å; S36-T39 VanDerWaalsContact O-N 3.08Å; S36-T39 PolarHBondContact OG-N 3.13Å; S36-T39 VanDerWaalsContact OG-N 3.16Å; T39-A41 VanDerWaalsContact C-N 3.28Å; T39-A41 PolarHBondContact O-N 2.78Å; T39-K42 PolarHBondContact O-N 3.15Å; T39-R43 PolarHBondContact O-N 3.07Å; T39-Y362 WeakPolarHBondContact CG2-OH 3.45Å; T39-Y364 WeakPolarHBondContact CB-OXT 3.27Å; T39-Y364 VanDerWaalsContact OG1-CA 3.24Å; T39-Y364 WeakPolarHBondContact OG1-CA 3.47Å; T39-Y364 PolarHBondContact OG1-OXT 2.97Å
40	M	96.4	Very high	96.5	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-63.3	-35.5	172.3	-80.1	-53.2	-62.2	0	0	111.9	E35 S36 K42 R43 L44 R56 F59 R60	E35-M40 HydrophobicContact CB-CG 3.67Å; E35-M40 HydrophobicContact CB-SD 3.76Å; E35-M40 HydrophobicContact CG-SD 4.1Å; S36-M40 PolarHBondContact O-N 3.33Å; M40-K42 VanDerWaalsContact C-N 3.34Å; M40-K42 PolarHBondContact O-N 2.63Å; M40-R43 PolarHBondContact O-N 3.25Å; M40-L44 HydrophobicContact CE-CD1 4.35Å; M40-L44 HydrophobicContact CE-CD2 4.22Å; M40-L44 HydrophobicContact CE-CG 4.08Å; M40-L44 WeakPolarHBondContact O-CG 3.09Å; M40-L44 PolarHBondContact O-N 2.93Å; M40-R56 HydrophobicContact CB-CG 4.11Å; M40-R56 HydrophobicContact CG-CG 4.42Å; M40-F59 HydrophobicContact CE-CD1 3.83Å; M40-F59 HydrophobicContact CE-CE1 4.46Å; M40-R60 PolarHBondContact SD-NH1 3.26Å; M40-R60 PolarHBondContact SD-NH2 3.35Å; M40-R60 VanDerWaalsContact SD-NH2 3.37Å
41	A	95.8	Very high	96.5	Very high	31 Å²	31	45.8 Å²	45.8	26%	0.256	24%	0.241	S	C	.	.	H	α-helix	trans	-53.7	-50.6	173.6	0	0	0	0	0	111.7	T37 G38 T39 R43 L44 Q45 N51	T37-A41 PolarHBondContact O-N 2.64Å; G38-A41 VanDerWaalsContact O-CB 3.3Å; G38-A41 WeakPolarHBondContact O-CB 3.31Å; G38-A41 PolarHBondContact O-N 2.67Å; T39-A41 VanDerWaalsContact C-N 3.28Å; T39-A41 PolarHBondContact O-N 2.78Å; A41-R43 PolarHBondContact O-N 3.06Å; A41-L44 PolarHBondContact O-N 2.55Å; A41-Q45 VanDerWaalsContact O-CB 3.29Å; A41-Q45 WeakPolarHBondContact O-CB 3.48Å; A41-Q45 PolarHBondContact O-N 3.36Å; A41-N51 HydrophobicContact CB-CB 4.12Å; A41-N51 VanDerWaalsContact CB-ND2 3.27Å; A41-N51 WeakPolarHBondContact CB-ND2 3.14Å
42	K	94.9	Very high	96.5	Very high	102 Å²	102	47.7 Å²	47.7	44%	0.443	25%	0.253	S	S	.	.	H	α-helix	trans	-61.7	-32.3	178.5	-64.1	176	-175.1	171.7	0	112.5	G38 T39 M40 K46	G38-K42 PolarHBondContact O-N 2.96Å; T39-K42 PolarHBondContact O-N 3.15Å; M40-K42 VanDerWaalsContact C-N 3.34Å; M40-K42 PolarHBondContact O-N 2.63Å; K42-K46 WeakPolarHBondContact O-CG 3.43Å
43	R	94.3	Very high	96.4	Very high	18 Å²	18	53.3 Å²	53.3	7%	0.068	28%	0.279	C	S	.	.	H	α-helix	trans	-75.3	-48.5	178.5	-71.7	-167.6	-179.6	-173.1	14	111.9	E35 T39 M40 A41 Q45 K46 Q307 L311	E35-R43 VanDerWaalsContact CD-CZ 3.47Å; E35-R43 VanDerWaalsContact CG-CZ 3.48Å; E35-R43 IonicContact OE1-CZ 3.94Å; E35-R43 IonicContact OE1-NE 2.69Å; E35-R43 IonicContact OE1-NH1 3.44Å; E35-R43 PolarHBondContact OE1-NH1 3.04Å; E35-R43 IonicContact OE1-NH2 3.36Å; E35-R43 PolarHBondContact OE1-NH2 3.16Å; T39-R43 PolarHBondContact O-N 3.07Å; M40-R43 PolarHBondContact O-N 3.25Å; A41-R43 PolarHBondContact O-N 3.06Å; R43-Q45 VanDerWaalsContact C-N 3.33Å; R43-Q45 PolarHBondContact O-N 3.02Å; R43-K46 WeakPolarHBondContact O-CB 3.21Å; R43-K46 PolarHBondContact O-N 3.15Å; R43-Q307 VanDerWaalsContact NH1-CD 3.34Å; R43-L311 HydrophobicContact CB-CD2 3.81Å
44	L	96.9	Very high	96.4	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-66	-36.7	-179.8	-65.7	173.1	0	0	0	111.6	M40 A41 K46 I47 N48 V49 N51 N55 R56 L311 W314	M40-L44 HydrophobicContact CE-CD1 4.35Å; M40-L44 HydrophobicContact CE-CD2 4.22Å; M40-L44 HydrophobicContact CE-CG 4.08Å; M40-L44 WeakPolarHBondContact O-CG 3.09Å; M40-L44 PolarHBondContact O-N 2.93Å; A41-L44 PolarHBondContact O-N 2.55Å; L44-K46 VanDerWaalsContact C-N 3.26Å; L44-K46 PolarHBondContact O-N 2.75Å; L44-I47 HydrophobicContact CD2-CD1 4.39Å; L44-I47 CarbonylContact O-C 3.55Å; L44-I47 WeakPolarHBondContact O-CG1 3.2Å; L44-I47 PolarHBondContact O-N 3.31Å; L44-N48 PolarHBondContact O-N 2.84Å; L44-V49 CarbonylContact C-O 3.53Å; L44-V49 HydrophobicContact CB-CB 4.18Å; L44-V49 HydrophobicContact CB-CG1 4.47Å; L44-V49 WeakPolarHBondContact CB-O 3.36Å; L44-V49 HydrophobicContact CD2-CB 4.2Å; L44-V49 HydrophobicContact CD2-CG1 4Å; L44-V49 PolarHBondContact O-N 2.78Å; L44-N51 HydrophobicContact CD1-CB 4.24Å; L44-N55 HydrophobicContact CD1-CB 4.46Å; L44-R56 HydrophobicContact CD1-CG 4.16Å; L44-L311 HydrophobicContact CD2-CD1 4.25Å; L44-W314 HydrophobicContact CD2-CH2 4.49Å; L44-W314 HydrophobicContact CD2-CZ3 3.77Å
45	Q	96	Very high	96.4	Very high	144 Å²	144	59.5 Å²	59.5	67%	0.673	31%	0.31	S	S	*	.	H	α-helix	trans	-57.6	-37.2	174.8	-172.6	-179.4	18.7	0	0	112.5	A41 R43 I47 N48	A41-Q45 VanDerWaalsContact O-CB 3.29Å; A41-Q45 WeakPolarHBondContact O-CB 3.48Å; A41-Q45 PolarHBondContact O-N 3.36Å; R43-Q45 VanDerWaalsContact C-N 3.33Å; R43-Q45 PolarHBondContact O-N 3.02Å; Q45-I47 PolarHBondContact O-N 3.15Å; Q45-N48 PolarHBondContact O-N 3.49Å
46	K	93.6	Very high	96.5	Very high	141 Å²	141	60.3 Å²	60.3	61%	0.613	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-21.5	178.7	-71.8	178.8	179.6	-170.5	0	113.7	K42 R43 L44	K42-K46 WeakPolarHBondContact O-CG 3.43Å; R43-K46 WeakPolarHBondContact O-CB 3.21Å; R43-K46 PolarHBondContact O-N 3.15Å; L44-K46 VanDerWaalsContact C-N 3.26Å; L44-K46 PolarHBondContact O-N 2.75Å
47	I	95.6	Very high	96.6	Very high	26 Å²	26	60.5 Å²	60.5	13%	0.133	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	14.7	176.6	60	160	0	0	0	112	L44 Q45 V49 L311 W314 V315	L44-I47 HydrophobicContact CD2-CD1 4.39Å; L44-I47 CarbonylContact O-C 3.55Å; L44-I47 WeakPolarHBondContact O-CG1 3.2Å; L44-I47 PolarHBondContact O-N 3.31Å; Q45-I47 PolarHBondContact O-N 3.15Å; I47-V49 VanDerWaalsContact C-N 3.27Å; I47-V49 HydrophobicContact CD1-CB 4.09Å; I47-V49 HydrophobicContact CD1-CG2 3.53Å; I47-V49 HydrophobicContact CG1-CB 4.07Å; I47-V49 HydrophobicContact CG1-CG2 3.73Å; I47-V49 PolarHBondContact O-N 3.41Å; I47-L311 HydrophobicContact CD1-CD1 3.6Å; I47-L311 HydrophobicContact CD1-CG 3.77Å; I47-L311 HydrophobicContact CG1-CD1 4.47Å; I47-L311 HydrophobicContact CG1-CG 4.3Å; I47-L311 HydrophobicContact CG2-CG 4.21Å; I47-W314 HydrophobicContact CD1-CE3 4.05Å; I47-W314 HydrophobicContact CD1-CZ3 4.38Å; I47-V315 HydrophobicContact CB-CG1 4.48Å
48	N	96.7	Very high	96.7	Very high	157 Å²	157	58.4 Å²	58.4	84%	0.84	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	37.4	-178.3	-56.3	-52.7	0	0	0	113.8	L44 Q45	L44-N48 PolarHBondContact O-N 2.84Å; Q45-N48 PolarHBondContact O-N 3.49Å
49	V	97.3	Very high	96.9	Very high	17 Å²	17	56.3 Å²	56.3	10%	0.103	28%	0.275	C	S	.	.			trans	-105.5	136.7	175.2	176.3	0	0	0	0	109.6	L44 I47 N55 W314 G316	L44-V49 CarbonylContact C-O 3.53Å; L44-V49 HydrophobicContact CB-CB 4.18Å; L44-V49 HydrophobicContact CB-CG1 4.47Å; L44-V49 WeakPolarHBondContact CB-O 3.36Å; L44-V49 HydrophobicContact CD2-CB 4.2Å; L44-V49 HydrophobicContact CD2-CG1 4Å; L44-V49 PolarHBondContact O-N 2.78Å; I47-V49 VanDerWaalsContact C-N 3.27Å; I47-V49 HydrophobicContact CD1-CB 4.09Å; I47-V49 HydrophobicContact CD1-CG2 3.53Å; I47-V49 HydrophobicContact CG1-CB 4.07Å; I47-V49 HydrophobicContact CG1-CG2 3.73Å; I47-V49 PolarHBondContact O-N 3.41Å; V49-N55 HydrophobicContact CG1-CB 4.07Å; V49-N55 WeakPolarHBondContact CG1-ND2 3.36Å; V49-W314 HydrophobicContact CG1-CH2 4.48Å; V49-G316 VanDerWaalsContact CG2-CA 3.49Å
50	E	97.8	Very high	97.1	Very high	145 Å²	145	56.4 Å²	56.4	68%	0.678	28%	0.276	S	S	*	.			trans	-67.9	141.4	177.2	-170.1	-176.9	178.1	0	0	111.7	T52 N55	E50-T52 VanDerWaalsContact C-N 3.3Å; E50-T52 HydrophobicContact CB-CG2 4.3Å; E50-T52 HydrophobicContact CG-CG2 3.84Å; E50-T52 PolarHBondContact O-N 3.2Å; E50-N55 WeakPolarHBondContact O-CB 3.1Å; E50-N55 PolarHBondContact O-ND2 3.14Å
51	N	98.3	Very high	97.2	Very high	51 Å²	51	57.4 Å²	57.4	27%	0.273	28%	0.28	S	S	.	.			trans	-83.8	66.9	178.9	-173.3	32.1	0	0	0	113.1	T37 A41 L44 R56	T37-N51 PolarHBondContact O-ND2 3.46Å; A41-N51 HydrophobicContact CB-CB 4.12Å; A41-N51 VanDerWaalsContact CB-ND2 3.27Å; A41-N51 WeakPolarHBondContact CB-ND2 3.14Å; L44-N51 HydrophobicContact CD1-CB 4.24Å; N51-R56 PolarHBondContact O-NH1 3.32Å; N51-R56 VanDerWaalsContact O-NH1 3.13Å; N51-R56 WeakPolarHBondContact OD1-CD 3.39Å; N51-R56 PolarHBondContact OD1-NH1 2.72Å
52	T	98.5	Very high	97.4	Very high	43 Å²	43	56 Å²	56	26%	0.264	27%	0.268	S	S	.	.			trans	-90.5	158.3	171.5	67.6	0	0	0	0	111.1	E50 E54 N55 R56	E50-T52 VanDerWaalsContact C-N 3.3Å; E50-T52 HydrophobicContact CB-CG2 4.3Å; E50-T52 HydrophobicContact CG-CG2 3.84Å; E50-T52 PolarHBondContact O-N 3.2Å; T52-E54 PolarHBondContact O-N 3.29Å; T52-N55 PolarHBondContact O-N 3.34Å; T52-N55 WeakPolarHBondContact OG1-CB 3.22Å; T52-N55 PolarHBondContact OG1-N 3.49Å; T52-N55 VanDerWaalsContact OG1-N 3.07Å; T52-N55 PolarHBondContact OG1-ND2 3.17Å; T52-R56 VanDerWaalsContact C-NH1 3.33Å; T52-R56 WeakPolarHBondContact O-CG 3.29Å; T52-R56 PolarHBondContact O-N 3.03Å; T52-R56 VanDerWaalsContact O-N 3.11Å; T52-R56 PolarHBondContact O-NH1 3.01Å
53	E	98.4	Very high	97.5	Very high	119 Å²	119	51.2 Å²	51.2	56%	0.556	25%	0.248	S	C	*	.	H	α-helix	trans	-55.9	-42.6	172.4	-174.3	-176.6	165.5	0	0	111.3	N55 R56 R57	E53-N55 PolarHBondContact O-N 3.17Å; E53-R56 PolarHBondContact O-N 2.99Å; E53-R57 WeakPolarHBondContact O-CB 3.46Å; E53-R57 PolarHBondContact O-N 2.95Å
54	E	98.4	Very high	97.7	Very high	93 Å²	93	50.7 Å²	50.7	44%	0.435	25%	0.246	S	C	.	.	H	α-helix	trans	-63.3	-42.9	179.2	-178.5	55.5	-158	0	0	112.4	T52 R56 R57 C58	T52-E54 PolarHBondContact O-N 3.29Å; E54-R56 VanDerWaalsContact C-N 3.3Å; E54-R56 PolarHBondContact O-N 3.02Å; E54-R57 VanDerWaalsContact CD-NE 3.31Å; E54-R57 WeakPolarHBondContact O-CB 3.37Å; E54-R57 PolarHBondContact O-N 3.04Å; E54-R57 IonicContact OE1-CZ 3.36Å; E54-R57 IonicContact OE1-NE 3.35Å; E54-R57 PolarHBondContact OE1-NE 2.86Å; E54-R57 VanDerWaalsContact OE1-NE 3.12Å; E54-R57 IonicContact OE1-NH2 3.59Å; E54-R57 PolarHBondContact OE1-NH2 2.84Å; E54-R57 WeakPolarHBondContact OE2-CD 3.27Å; E54-R57 IonicContact OE2-CZ 2.83Å; E54-R57 IonicContact OE2-NE 3.79Å; E54-R57 PolarHBondContact OE2-NE 3.38Å; E54-R57 IonicContact OE2-NH2 3.6Å; E54-C58 WeakPolarHBondContact O-CB 3.24Å; E54-C58 PolarHBondContact O-N 3.33Å; E54-C58 PolarHBondContact OE1-SG 3.34Å
55	N	98.4	Very high	97.6	Very high	37 Å²	37	53.2 Å²	53.2	20%	0.198	26%	0.264	C	S	.	.	H	α-helix	trans	-65.5	-35.6	176.9	-75.4	-23.2	0	0	0	111.9	L44 V49 E50 T52 E53 F59 W314	L44-N55 HydrophobicContact CD1-CB 4.46Å; V49-N55 HydrophobicContact CG1-CB 4.07Å; V49-N55 WeakPolarHBondContact CG1-ND2 3.36Å; E50-N55 WeakPolarHBondContact O-CB 3.1Å; E50-N55 PolarHBondContact O-ND2 3.14Å; T52-N55 PolarHBondContact O-N 3.34Å; T52-N55 WeakPolarHBondContact OG1-CB 3.22Å; T52-N55 PolarHBondContact OG1-N 3.49Å; T52-N55 VanDerWaalsContact OG1-N 3.07Å; T52-N55 PolarHBondContact OG1-ND2 3.17Å; E53-N55 PolarHBondContact O-N 3.17Å; N55-F59 PolarHBondContact O-N 3.44Å; N55-F59 VanDerWaalsContact O-N 3.1Å; N55-W314 HydrophobicContact CB-CH2 4.36Å; N55-W314 WeakPolarHBondContact O-CH2 3.46Å
56	R	98.6	Very high	97.6	Very high	20 Å²	20	46.4 Å²	46.4	8%	0.075	23%	0.232	C	C	.	.	H	α-helix	trans	-65.4	-46.6	172.7	-67.5	-169.7	-61.5	-81.8	2.1	111	M40 L44 N51 T52 E53 E54 F59 R60 E82	M40-R56 HydrophobicContact CB-CG 4.11Å; M40-R56 HydrophobicContact CG-CG 4.42Å; L44-R56 HydrophobicContact CD1-CG 4.16Å; N51-R56 PolarHBondContact O-NH1 3.32Å; N51-R56 VanDerWaalsContact O-NH1 3.13Å; N51-R56 WeakPolarHBondContact OD1-CD 3.39Å; N51-R56 PolarHBondContact OD1-NH1 2.72Å; T52-R56 VanDerWaalsContact C-NH1 3.33Å; T52-R56 WeakPolarHBondContact O-CG 3.29Å; T52-R56 PolarHBondContact O-N 3.03Å; T52-R56 VanDerWaalsContact O-N 3.11Å; T52-R56 PolarHBondContact O-NH1 3.01Å; E53-R56 PolarHBondContact O-N 2.99Å; E54-R56 VanDerWaalsContact C-N 3.3Å; E54-R56 PolarHBondContact O-N 3.02Å; R56-F59 PolarHBondContact O-N 3.17Å; R56-R60 VanDerWaalsContact O-CG 3.28Å; R56-R60 WeakPolarHBondContact O-CG 3.44Å; R56-R60 PolarHBondContact O-N 2.89Å; R56-E82 IonicContact CZ-OE1 3.35Å; R56-E82 IonicContact CZ-OE2 3.09Å; R56-E82 IonicContact NE-OE1 3.83Å; R56-E82 PolarHBondContact NE-OE1 3.31Å; R56-E82 IonicContact NE-OE2 2.77Å; R56-E82 PolarHBondContact NE-OE2 3.07Å; R56-E82 IonicContact NH2-OE1 2.65Å; R56-E82 PolarHBondContact NH2-OE1 3.49Å; R56-E82 IonicContact NH2-OE2 2.72Å; R56-E82 PolarHBondContact NH2-OE2 3.11Å
57	R	98.6	Very high	97.6	Very high	28 Å²	28	44.2 Å²	44.2	11%	0.106	23%	0.227	C	C	.	.	H	α-helix	trans	-57.5	-51.2	176.4	-170.4	-157.5	72.6	75	2.5	111.4	E53 E54 F59 R60 E61 Q86 K87 D89 F94	E53-R57 WeakPolarHBondContact O-CB 3.46Å; E53-R57 PolarHBondContact O-N 2.95Å; E54-R57 VanDerWaalsContact CD-NE 3.31Å; E54-R57 WeakPolarHBondContact O-CB 3.37Å; E54-R57 PolarHBondContact O-N 3.04Å; E54-R57 IonicContact OE1-CZ 3.36Å; E54-R57 IonicContact OE1-NE 3.35Å; E54-R57 PolarHBondContact OE1-NE 2.86Å; E54-R57 VanDerWaalsContact OE1-NE 3.12Å; E54-R57 IonicContact OE1-NH2 3.59Å; E54-R57 PolarHBondContact OE1-NH2 2.84Å; E54-R57 WeakPolarHBondContact OE2-CD 3.27Å; E54-R57 IonicContact OE2-CZ 2.83Å; E54-R57 IonicContact OE2-NE 3.79Å; E54-R57 PolarHBondContact OE2-NE 3.38Å; E54-R57 IonicContact OE2-NH2 3.6Å; R57-F59 PolarHBondContact O-N 3.18Å; R57-R60 PolarHBondContact O-N 3.39Å; R57-R60 VanDerWaalsContact O-N 3.16Å; R57-E61 IonicContact CZ-OE2 3.5Å; R57-E61 IonicContact NH1-OE2 3.31Å; R57-E61 PolarHBondContact NH1-OE2 3.27Å; R57-E61 IonicContact NH2-OE2 3.56Å; R57-E61 PolarHBondContact O-N 3.1Å; R57-Q86 HydrophobicContact CG-CB 4.22Å; R57-Q86 HydrophobicContact CG-CG 4.25Å; R57-K87 WeakPolarHBondContact CD-O 3.28Å; R57-K87 PolarHBondContact NH1-O 3.02Å; R57-D89 IonicContact CZ-OD1 2.63Å; R57-D89 IonicContact NH1-OD1 2.64Å; R57-D89 PolarHBondContact NH1-OD1 3.32Å; R57-D89 IonicContact NH2-OD1 3.73Å; R57-D89 PolarHBondContact NH2-OD1 3.44Å; R57-F94 HydrophobicContact CG-CE2 4.02Å; R57-F94 HydrophobicContact CG-CZ 3.92Å
58	C	98.4	Very high	97.5	Very high	9 Å²	9	46.8 Å²	46.8	6%	0.061	25%	0.245	C	C	.	.	H	α-helix	trans	-55.3	-48.4	177.2	-84.7	0	0	0	0	112.1	E54 R60 E61 I62 W314	E54-C58 WeakPolarHBondContact O-CB 3.24Å; E54-C58 PolarHBondContact O-N 3.33Å; E54-C58 PolarHBondContact OE1-SG 3.34Å; C58-R60 VanDerWaalsContact C-N 3.32Å; C58-R60 PolarHBondContact O-N 2.83Å; C58-E61 PolarHBondContact O-N 3.34Å; C58-I62 VanDerWaalsContact O-CG1 3.31Å; C58-I62 WeakPolarHBondContact O-CG1 3.41Å; C58-I62 PolarHBondContact O-N 2.86Å; C58-W314 HydrophobicContact CB-CH2 4.35Å; C58-W314 HydrophobicContact CB-CZ2 3.91Å
59	F	98.6	Very high	97.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.8	-37.8	179.2	-173	-120.4	0	0	0	112.3	M40 N55 R56 R57 I62 L63 Q307 L311 W314	M40-F59 HydrophobicContact CE-CD1 3.83Å; M40-F59 HydrophobicContact CE-CE1 4.46Å; N55-F59 PolarHBondContact O-N 3.44Å; N55-F59 VanDerWaalsContact O-N 3.1Å; R56-F59 PolarHBondContact O-N 3.17Å; R57-F59 PolarHBondContact O-N 3.18Å; F59-I62 WeakPolarHBondContact O-CB 3.44Å; F59-I62 PolarHBondContact O-N 2.91Å; F59-L63 HydrophobicContact CE1-CD1 4.06Å; F59-L63 HydrophobicContact CZ-CD1 4.26Å; F59-L63 HydrophobicContact CZ-CD2 4.4Å; F59-L63 HydrophobicContact CZ-CG 4.49Å; F59-L63 WeakPolarHBondContact O-CG 3.41Å; F59-L63 PolarHBondContact O-N 2.9Å; F59-Q307 HydrophobicContact CZ-CB 4.33Å; F59-L311 HydrophobicContact CD1-CD1 4.1Å; F59-L311 HydrophobicContact CD2-CD1 3.82Å; F59-L311 HydrophobicContact CE1-CD1 3.87Å; F59-L311 HydrophobicContact CE2-CB 4.01Å; F59-L311 HydrophobicContact CE2-CD1 3.58Å; F59-L311 HydrophobicContact CE2-CG 4.42Å; F59-L311 HydrophobicContact CG-CD1 4.1Å; F59-L311 HydrophobicContact CZ-CB 3.82Å; F59-L311 HydrophobicContact CZ-CD1 3.61Å; F59-L311 HydrophobicContact CZ-CG 4.29Å; F59-W314 HydrophobicContact CB-CE3 4.08Å; F59-W314 HydrophobicContact CB-CH2 3.93Å; F59-W314 HydrophobicContact CB-CZ3 3.6Å; F59-W314 HydrophobicContact CD2-CD2 4.14Å; F59-W314 AromaticContact CD2-CE3 3.53Å; F59-W314 HydrophobicContact CD2-CE3 3.53Å; F59-W314 AromaticContact CD2-CZ3 3.94Å; F59-W314 HydrophobicContact CD2-CZ3 3.94Å; F59-W314 HydrophobicContact CE2-CE3 4.35Å; F59-W314 HydrophobicContact CG-CE3 4.07Å; F59-W314 AromaticContact CG-CZ3 3.99Å; F59-W314 HydrophobicContact CG-CZ3 3.99Å
60	R	98.6	Very high	97.5	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.008	22%	0.216	C	C	.	.	H	α-helix	trans	-66.1	-42	174.3	-68.8	-61.8	-172.5	-85.2	-4.8	112.1	A33 E35 M40 R56 R57 C58 I62 L63 F64 T83 F94	A33-R60 PolarHBondContact O-NE 3.08Å; A33-R60 PolarHBondContact O-NH2 2.59Å; A33-R60 VanDerWaalsContact O-NH2 3.1Å; E35-R60 IonicContact OE2-CZ 3.49Å; E35-R60 IonicContact OE2-NH1 3.66Å; E35-R60 IonicContact OE2-NH2 2.72Å; E35-R60 PolarHBondContact OE2-NH2 3.27Å; M40-R60 PolarHBondContact SD-NH1 3.26Å; M40-R60 PolarHBondContact SD-NH2 3.35Å; M40-R60 VanDerWaalsContact SD-NH2 3.37Å; R56-R60 VanDerWaalsContact O-CG 3.28Å; R56-R60 WeakPolarHBondContact O-CG 3.44Å; R56-R60 PolarHBondContact O-N 2.89Å; R57-R60 PolarHBondContact O-N 3.39Å; R57-R60 VanDerWaalsContact O-N 3.16Å; C58-R60 VanDerWaalsContact C-N 3.32Å; C58-R60 PolarHBondContact O-N 2.83Å; R60-I62 VanDerWaalsContact C-N 3.33Å; R60-I62 PolarHBondContact O-N 2.86Å; R60-L63 PolarHBondContact O-N 2.72Å; R60-F64 HydrophobicContact CB-CD2 4.2Å; R60-F64 HydrophobicContact CB-CE2 3.74Å; R60-F64 HydrophobicContact CB-CZ 4.25Å; R60-F64 HydrophobicContact CG-CE2 4.4Å; R60-F64 WeakPolarHBondContact O-CB 3.49Å; R60-F64 VanDerWaalsContact O-CD2 3.22Å; R60-F64 WeakPolarHBondContact O-CD2 3.09Å; R60-F64 WeakPolarHBondContact O-CG 3.11Å; R60-F64 PolarHBondContact O-N 3.38Å; R60-T83 HydrophobicContact CB-CG2 3.89Å; R60-T83 HydrophobicContact CG-CG2 3.64Å; R60-F94 HydrophobicContact CB-CE2 4.04Å; R60-F94 HydrophobicContact CB-CZ 4.33Å
61	E	98.4	Very high	97.5	Very high	22 Å²	22	34.5 Å²	34.5	10%	0.103	19%	0.188	C	C	.	.	H	α-helix	trans	-60.1	-42.9	174.3	-178.1	156.9	-163.2	0	0	111.8	R57 C58 L63 F64 S65 S88 D89 F94	R57-E61 IonicContact CZ-OE2 3.5Å; R57-E61 IonicContact NH1-OE2 3.31Å; R57-E61 PolarHBondContact NH1-OE2 3.27Å; R57-E61 IonicContact NH2-OE2 3.56Å; R57-E61 PolarHBondContact O-N 3.1Å; C58-E61 PolarHBondContact O-N 3.34Å; E61-L63 VanDerWaalsContact C-N 3.29Å; E61-L63 PolarHBondContact O-N 2.96Å; E61-F64 PolarHBondContact O-N 2.77Å; E61-S65 WeakPolarHBondContact O-CB 3.21Å; E61-S65 PolarHBondContact O-N 2.86Å; E61-S65 PolarHBondContact O-OG 2.64Å; E61-S88 VanDerWaalsContact OE1-CB 3.27Å; E61-S88 WeakPolarHBondContact OE1-CB 3.16Å; E61-S88 WeakPolarHBondContact OE2-CA 3.46Å; E61-D89 VanDerWaalsContact CD-N 3.32Å; E61-D89 PolarHBondContact OE1-N 2.94Å; E61-D89 VanDerWaalsContact OE2-CG 3.31Å; E61-D89 PolarHBondContact OE2-N 3.25Å; E61-F94 HydrophobicContact CB-CE1 3.73Å; E61-F94 HydrophobicContact CB-CZ 3.82Å; E61-F94 HydrophobicContact CG-CE1 4.21Å
62	I	98.3	Very high	97.5	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-52.1	-49.7	175	-72.7	168.6	0	0	0	110.6	C58 F59 R60 S66 W314 K321 A324 Q325	C58-I62 VanDerWaalsContact O-CG1 3.31Å; C58-I62 WeakPolarHBondContact O-CG1 3.41Å; C58-I62 PolarHBondContact O-N 2.86Å; F59-I62 WeakPolarHBondContact O-CB 3.44Å; F59-I62 PolarHBondContact O-N 2.91Å; R60-I62 VanDerWaalsContact C-N 3.33Å; R60-I62 PolarHBondContact O-N 2.86Å; I62-S66 PolarHBondContact O-OG 3.11Å; I62-S66 VanDerWaalsContact O-OG 3.11Å; I62-W314 HydrophobicContact CD1-CB 4.41Å; I62-W314 HydrophobicContact CD1-CD2 3.8Å; I62-W314 HydrophobicContact CD1-CG 3.62Å; I62-W314 HydrophobicContact CD1-CZ2 4.44Å; I62-K321 HydrophobicContact CD1-CG 3.89Å; I62-K321 HydrophobicContact CG1-CB 4.31Å; I62-K321 HydrophobicContact CG1-CD 4.47Å; I62-K321 HydrophobicContact CG1-CG 3.85Å; I62-A324 HydrophobicContact CG2-CB 3.69Å; I62-Q325 HydrophobicContact CG2-CG 3.95Å; I62-Q325 VanDerWaalsContact O-CG 3.32Å; I62-Q325 WeakPolarHBondContact O-CG 3.11Å
63	L	98.4	Very high	97.5	Very high	3 Å²	3	36 Å²	36	2%	0.016	20%	0.196	C	C	.	.	H	α-helix	trans	-65.2	-47	179.2	-58.7	176.9	0	0	0	111.6	L31 F59 R60 E61 S66 Q307 A310 F328	L31-L63 HydrophobicContact CD2-CB 4.23Å; L31-L63 HydrophobicContact CD2-CD1 4.35Å; F59-L63 HydrophobicContact CE1-CD1 4.06Å; F59-L63 HydrophobicContact CZ-CD1 4.26Å; F59-L63 HydrophobicContact CZ-CD2 4.4Å; F59-L63 HydrophobicContact CZ-CG 4.49Å; F59-L63 WeakPolarHBondContact O-CG 3.41Å; F59-L63 PolarHBondContact O-N 2.9Å; R60-L63 PolarHBondContact O-N 2.72Å; E61-L63 VanDerWaalsContact C-N 3.29Å; E61-L63 PolarHBondContact O-N 2.96Å; L63-S66 WeakPolarHBondContact O-CB 3.48Å; L63-S66 PolarHBondContact O-N 3.26Å; L63-S66 PolarHBondContact O-OG 2.88Å; L63-Q307 HydrophobicContact CD1-CG 4Å; L63-A310 HydrophobicContact CD2-CB 4.37Å; L63-F328 HydrophobicContact CD2-CB 3.95Å; L63-F328 HydrophobicContact CD2-CD1 4.12Å; L63-F328 HydrophobicContact CD2-CD2 3.97Å; L63-F328 HydrophobicContact CD2-CG 3.73Å
64	F	98.1	Very high	97.5	Very high	7 Å²	7	30.5 Å²	30.5	3%	0.031	17%	0.171	C	C	.	.	H	α-helix	trans	-79.8	-22.9	-172.1	-55.4	-24.9	0	0	0	114.2	L31 A33 R60 E61 S66 V77 F79 T83 F94 V97 V98 K101	L31-F64 HydrophobicContact CD2-CD1 4.43Å; L31-F64 HydrophobicContact CD2-CE1 4.04Å; A33-F64 HydrophobicContact CB-CE1 4.15Å; A33-F64 HydrophobicContact CB-CZ 4.11Å; R60-F64 HydrophobicContact CB-CD2 4.2Å; R60-F64 HydrophobicContact CB-CE2 3.74Å; R60-F64 HydrophobicContact CB-CZ 4.25Å; R60-F64 HydrophobicContact CG-CE2 4.4Å; R60-F64 WeakPolarHBondContact O-CB 3.49Å; R60-F64 VanDerWaalsContact O-CD2 3.22Å; R60-F64 WeakPolarHBondContact O-CD2 3.09Å; R60-F64 WeakPolarHBondContact O-CG 3.11Å; R60-F64 PolarHBondContact O-N 3.38Å; E61-F64 PolarHBondContact O-N 2.77Å; F64-S66 VanDerWaalsContact C-N 3.35Å; F64-V77 HydrophobicContact CD1-CG1 4.38Å; F64-V77 HydrophobicContact CE1-CG1 3.53Å; F64-V77 HydrophobicContact CZ-CG1 3.98Å; F64-F79 HydrophobicContact CD2-CE1 4.18Å; F64-F79 HydrophobicContact CD2-CZ 4.29Å; F64-F79 HydrophobicContact CE1-CZ 4.34Å; F64-F79 HydrophobicContact CE2-CD1 4.22Å; F64-F79 AromaticContact CE2-CE1 3.39Å; F64-F79 HydrophobicContact CE2-CE1 3.39Å; F64-F79 AromaticContact CE2-CZ 3.74Å; F64-F79 HydrophobicContact CE2-CZ 3.74Å; F64-F79 HydrophobicContact CZ-CD1 4.28Å; F64-F79 AromaticContact CZ-CE1 3.67Å; F64-F79 HydrophobicContact CZ-CE1 3.67Å; F64-F79 HydrophobicContact CZ-CE2 4.45Å; F64-F79 AromaticContact CZ-CZ 3.77Å; F64-F79 HydrophobicContact CZ-CZ 3.77Å; F64-T83 HydrophobicContact CE2-CG2 3.66Å; F64-T83 HydrophobicContact CZ-CG2 4.16Å; F64-F94 HydrophobicContact CD2-CB 3.81Å; F64-F94 AromaticContact CD2-CD1 3.71Å; F64-F94 HydrophobicContact CD2-CD1 3.71Å; F64-F94 HydrophobicContact CD2-CD2 4.13Å; F64-F94 HydrophobicContact CD2-CE1 4.25Å; F64-F94 AromaticContact CD2-CG 3.65Å; F64-F94 HydrophobicContact CD2-CG 3.65Å; F64-F94 HydrophobicContact CE2-CB 4.03Å; F64-F94 HydrophobicContact CE2-CD1 4.47Å; F64-F94 HydrophobicContact CE2-CD2 4.1Å; F64-F94 AromaticContact CE2-CG 3.99Å; F64-F94 HydrophobicContact CE2-CG 3.99Å; F64-V97 HydrophobicContact CB-CG1 4.38Å; F64-V98 HydrophobicContact CB-CG2 4.04Å; F64-V98 HydrophobicContact CD1-CG2 4.06Å; F64-V98 HydrophobicContact CG-CG2 3.95Å; F64-K101 PolarHBondContact O-NZ 2.83Å
65	S	95.4	Very high	97.5	Very high	53 Å²	53	26.2 Å²	26.2	37%	0.371	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-2.2	176.4	63.4	0	0	0	0	113.3	E61 Q325	E61-S65 WeakPolarHBondContact O-CB 3.21Å; E61-S65 PolarHBondContact O-N 2.86Å; E61-S65 PolarHBondContact O-OG 2.64Å; S65-Q325 PolarHBondContact OG-NE2 3.1Å
66	S	94.3	Very high	97.5	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.007	14%	0.141	C	C	.	.	S	Bend	trans	-54.2	156.4	174.6	-67.9	0	0	0	0	112.6	I62 L63 F64 K101 F328	I62-S66 PolarHBondContact O-OG 3.11Å; I62-S66 VanDerWaalsContact O-OG 3.11Å; L63-S66 WeakPolarHBondContact O-CB 3.48Å; L63-S66 PolarHBondContact O-N 3.26Å; L63-S66 PolarHBondContact O-OG 2.88Å; F64-S66 VanDerWaalsContact C-N 3.35Å; S66-K101 PolarHBondContact O-NZ 2.84Å; S66-F328 WeakPolarHBondContact OG-CD1 3.17Å
67	D	94	Very high	97.5	Very high	94 Å²	94	23.7 Å²	23.7	50%	0.503	14%	0.139	S	C	.	.			trans	-44.4	135.3	-175.1	-174.4	-85.6	0	0	0	113.2	S69 I70 F329	D67-S69 PolarHBondContact O-N 3.04Å; D67-S69 WeakPolarHBondContact OD1-CB 3.46Å; D67-S69 PolarHBondContact OD1-N 2.87Å; D67-S69 PolarHBondContact OD1-OG 3.5Å; D67-I70 VanDerWaalsContact O-CB 3.24Å; D67-I70 WeakPolarHBondContact O-CB 3.43Å; D67-I70 WeakPolarHBondContact O-CG2 3.37Å; D67-I70 PolarHBondContact O-N 3.1Å; D67-F329 HydrophobicContact CB-CD2 4.49Å; D67-F329 HydrophobicContact CB-CE2 4.38Å
68	P	94.9	Very high	97.5	Very high	81 Å²	81	22.3 Å²	22.3	53%	0.526	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-54.1	-26.3	-177.7	-27.7	35.6	0	0	0	115	I70 A71 K101	P68-I70 PolarHBondContact O-N 3.01Å; P68-A71 WeakPolarHBondContact O-CB 3.47Å; P68-A71 PolarHBondContact O-N 3.41Å; P68-K101 HydrophobicContact CB-CG 4.39Å
69	S	96.5	Very high	97.6	Very high	43 Å²	43	21.9 Å²	21.9	30%	0.301	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-63.4	-10.6	175.6	68.3	0	0	0	0	113.7	D67 A71 N72 F329	D67-S69 PolarHBondContact O-N 3.04Å; D67-S69 WeakPolarHBondContact OD1-CB 3.46Å; D67-S69 PolarHBondContact OD1-N 2.87Å; D67-S69 PolarHBondContact OD1-OG 3.5Å; S69-A71 PolarHBondContact O-N 2.73Å; S69-A71 VanDerWaalsContact O-N 3.15Å; S69-N72 WeakPolarHBondContact O-CB 3.42Å; S69-N72 PolarHBondContact O-N 2.89Å; S69-N72 PolarHBondContact O-ND2 2.76Å; S69-F329 WeakPolarHBondContact OG-CE2 3.33Å; S69-F329 WeakPolarHBondContact OG-CZ 2.92Å
70	I	96.8	Very high	97.6	Very high	6 Å²	6	24 Å²	24	3%	0.031	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-55.4	-27.9	168.2	-163.4	64.6	0	0	0	112.3	D67 P68 N72 S73 I74 K101 I103 F328 F329 A332	D67-I70 VanDerWaalsContact O-CB 3.24Å; D67-I70 WeakPolarHBondContact O-CB 3.43Å; D67-I70 WeakPolarHBondContact O-CG2 3.37Å; D67-I70 PolarHBondContact O-N 3.1Å; P68-I70 PolarHBondContact O-N 3.01Å; I70-N72 PolarHBondContact O-N 2.86Å; I70-N72 VanDerWaalsContact O-N 3.13Å; I70-S73 CarbonylContact O-C 3.54Å; I70-S73 PolarHBondContact O-N 3.42Å; I70-I74 HydrophobicContact CD1-CG1 4.19Å; I70-I74 HydrophobicContact CG1-CG1 3.76Å; I70-I74 PolarHBondContact O-N 3.12Å; I70-K101 HydrophobicContact CG2-CD 4.42Å; I70-I103 HydrophobicContact CG2-CD1 4.08Å; I70-F328 HydrophobicContact CD1-CD1 4.39Å; I70-F328 HydrophobicContact CD1-CE1 3.82Å; I70-F328 HydrophobicContact CD1-CZ 4.06Å; I70-F328 HydrophobicContact CG1-CE1 3.79Å; I70-F328 HydrophobicContact CG1-CZ 4.07Å; I70-F329 HydrophobicContact CB-CD2 4.39Å; I70-F329 HydrophobicContact CD1-CD2 3.88Å; I70-F329 HydrophobicContact CD1-CE2 4.48Å; I70-A332 HydrophobicContact CD1-CB 3.22Å; I70-A332 HydrophobicContact CG1-CB 4.42Å
71	A	97.3	Very high	97.6	Very high	11 Å²	11	28.2 Å²	28.2	9%	0.091	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-64.6	-13	175.7	0	0	0	0	0	113.6	K28 P68 S69 K101 I103	K28-A71 WeakPolarHBondContact CD-O 3.47Å; K28-A71 WeakPolarHBondContact CE-O 3.37Å; K28-A71 PolarHBondContact NZ-O 2.81Å; P68-A71 WeakPolarHBondContact O-CB 3.47Å; P68-A71 PolarHBondContact O-N 3.41Å; S69-A71 PolarHBondContact O-N 2.73Å; S69-A71 VanDerWaalsContact O-N 3.15Å; A71-K101 HydrophobicContact CB-CB 4.39Å; A71-K101 WeakPolarHBondContact CB-O 3.35Å; A71-I103 HydrophobicContact CB-CD1 4.17Å; A71-I103 HydrophobicContact CB-CG1 3.89Å
72	N	97.8	Very high	97.6	Very high	114 Å²	114	29.1 Å²	29.1	61%	0.61	16%	0.164	S	C	*	.	G	3₁₀ helix	trans	-72.2	-19.6	169.3	-64.4	-31.4	0	0	0	112.4	S69 I70	S69-N72 WeakPolarHBondContact O-CB 3.42Å; S69-N72 PolarHBondContact O-N 2.89Å; S69-N72 PolarHBondContact O-ND2 2.76Å; I70-N72 PolarHBondContact O-N 2.86Å; I70-N72 VanDerWaalsContact O-N 3.13Å
73	S	98.4	Very high	97.6	Very high	13 Å²	13	29.2 Å²	29.2	9%	0.091	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-21.4	-179.2	-57	0	0	0	0	113.4	G27 K28 G29 I70 F300 A332	G27-S73 WeakPolarHBondContact O-CA 3.22Å; K28-S73 CarbonylContact C-O 3.5Å; K28-S73 VanDerWaalsContact CA-O 3.29Å; K28-S73 WeakPolarHBondContact CA-O 3.23Å; G29-S73 PolarHBondContact N-O 3.34Å; I70-S73 CarbonylContact O-C 3.54Å; I70-S73 PolarHBondContact O-N 3.42Å; S73-F300 VanDerWaalsContact O-CZ 3.25Å; S73-F300 WeakPolarHBondContact O-CZ 3.3Å; S73-A332 VanDerWaalsContact CB-O 3.28Å; S73-A332 WeakPolarHBondContact CB-O 3.41Å; S73-A332 PolarHBondContact OG-O 2.88Å
74	I	98.8	Very high	97.6	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.015	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	116.2	-179	-54.7	-60.3	0	0	0	109.1	G29 L31 I70 G76 V77 I103 F300 L306 F328 A332	G29-I74 CarbonylContact O-C 3.51Å; G29-I74 WeakPolarHBondContact O-CA 3.3Å; L31-I74 HydrophobicContact CB-CD1 4.38Å; L31-I74 HydrophobicContact CB-CG2 4.37Å; I70-I74 HydrophobicContact CD1-CG1 4.19Å; I70-I74 HydrophobicContact CG1-CG1 3.76Å; I70-I74 PolarHBondContact O-N 3.12Å; I74-G76 VanDerWaalsContact CG2-O 3.23Å; I74-G76 WeakPolarHBondContact CG2-O 3.48Å; I74-V77 HydrophobicContact CG2-CG2 4.02Å; I74-I103 HydrophobicContact CB-CD1 4.22Å; I74-I103 HydrophobicContact CG2-CD1 4.23Å; I74-I103 HydrophobicContact CG2-CG2 3.89Å; I74-F300 HydrophobicContact CD1-CE2 3.87Å; I74-F300 HydrophobicContact CD1-CZ 4.23Å; I74-L306 HydrophobicContact CD1-CD1 4.29Å; I74-F328 HydrophobicContact CG1-CZ 4.46Å; I74-A332 HydrophobicContact CD1-CB 4.14Å; I74-A332 HydrophobicContact CG1-CB 4.37Å
75	G	98.7	Very high	97.6	Very high	2 Å²	2	33.5 Å²	33.5	2%	0.021	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-25.3	174.2	0	0	0	0	0	112.6	G29 V104	G29-G75 PolarHBondContact O-N 2.85Å; G75-V104 WeakPolarHBondContact O-CB 3.33Å; G75-V104 WeakPolarHBondContact O-CG2 3.37Å; G75-V104 PolarHBondContact O-N 3.44Å
76	G	98.9	Very high	97.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	156.9	175.2	0	0	0	0	0	114.1	G29 I30 L31 I74 V104	G29-G76 PolarHBondContact O-N 3.09Å; I30-G76 VanDerWaalsContact CA-O 3.26Å; I30-G76 WeakPolarHBondContact CA-O 3.29Å; L31-G76 PolarHBondContact N-O 3.01Å; I74-G76 VanDerWaalsContact CG2-O 3.23Å; I74-G76 WeakPolarHBondContact CG2-O 3.48Å; G76-V104 CarbonylContact C-O 3.6Å; G76-V104 VanDerWaalsContact CA-O 3.22Å; G76-V104 WeakPolarHBondContact CA-O 3.4Å
77	V	98.9	Very high	98	Very high	4 Å²	4	37 Å²	37	2%	0.024	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	128.7	171.7	177.7	0	0	0	0	109	L31 A33 F64 I74 F79 V98 I103 V104 G106 F145	L31-V77 HydrophobicContact CB-CG2 4.21Å; L31-V77 HydrophobicContact CD2-CG1 4.29Å; L31-V77 HydrophobicContact CD2-CG2 4.35Å; L31-V77 HydrophobicContact CG-CG1 4.44Å; L31-V77 CarbonylContact O-C 3.4Å; L31-V77 WeakPolarHBondContact O-CA 3.43Å; A33-V77 HydrophobicContact CB-CG1 4.34Å; F64-V77 HydrophobicContact CD1-CG1 4.38Å; F64-V77 HydrophobicContact CE1-CG1 3.53Å; F64-V77 HydrophobicContact CZ-CG1 3.98Å; I74-V77 HydrophobicContact CG2-CG2 4.02Å; V77-F79 HydrophobicContact CB-CD2 4.26Å; V77-F79 HydrophobicContact CB-CE2 3.71Å; V77-F79 HydrophobicContact CG1-CD2 3.8Å; V77-F79 HydrophobicContact CG1-CE2 3.4Å; V77-F79 VanDerWaalsContact CG1-CE2 3.4Å; V77-F79 HydrophobicContact CG1-CZ 4.05Å; V77-F79 WeakPolarHBondContact O-CD2 3.29Å; V77-V98 HydrophobicContact CB-CG1 4.25Å; V77-V98 HydrophobicContact CG2-CG1 3.86Å; V77-I103 HydrophobicContact CG2-CG2 3.84Å; V77-V104 PolarHBondContact N-O 2.8Å; V77-G106 PolarHBondContact O-N 2.77Å; V77-F145 WeakPolarHBondContact O-CZ 3.37Å
78	I	98.9	Very high	98.2	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	124.6	173.3	-33.5	-170	0	0	0	108.7	I30 L31 A32 A33 D34 F145 K147 I186	I30-I78 HydrophobicContact CG2-CD1 3.87Å; I30-I78 HydrophobicContact CG2-CG1 3.45Å; I30-I78 VanDerWaalsContact CG2-CG1 3.45Å; L31-I78 PolarHBondContact O-N 2.88Å; A32-I78 HydrophobicContact CB-CD1 4.15Å; A32-I78 HydrophobicContact CB-CG1 4.4Å; A33-I78 CarbonylContact C-O 3.22Å; A33-I78 VanDerWaalsContact CA-O 3.3Å; A33-I78 WeakPolarHBondContact CA-O 3.49Å; A33-I78 PolarHBondContact N-O 2.99Å; D34-I78 HydrophobicContact CB-CB 3.96Å; D34-I78 HydrophobicContact CB-CG2 3.66Å; D34-I78 PolarHBondContact N-O 3.2Å; I78-F145 HydrophobicContact CD1-CE2 4.41Å; I78-F145 HydrophobicContact CG1-CE2 3.88Å; I78-F145 HydrophobicContact CG1-CZ 4.21Å; I78-K147 HydrophobicContact CD1-CB 4.15Å; I78-K147 HydrophobicContact CD1-CD 3.81Å; I78-K147 HydrophobicContact CD1-CG 3.94Å; I78-K147 HydrophobicContact CG2-CB 3.83Å; I78-K147 HydrophobicContact CG2-CD 4.33Å; I78-I186 HydrophobicContact CD1-CD1 4.2Å
79	F	98.9	Very high	98.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	153.7	178.4	-74.1	-110	0	0	0	111.2	D34 F64 V77 T83 L84 F94 V98 V105 G106 I107 K108	D34-F79 WeakPolarHBondContact CB-O 3.29Å; F64-F79 HydrophobicContact CD2-CE1 4.18Å; F64-F79 HydrophobicContact CD2-CZ 4.29Å; F64-F79 HydrophobicContact CE1-CZ 4.34Å; F64-F79 HydrophobicContact CE2-CD1 4.22Å; F64-F79 AromaticContact CE2-CE1 3.39Å; F64-F79 HydrophobicContact CE2-CE1 3.39Å; F64-F79 AromaticContact CE2-CZ 3.74Å; F64-F79 HydrophobicContact CE2-CZ 3.74Å; F64-F79 HydrophobicContact CZ-CD1 4.28Å; F64-F79 AromaticContact CZ-CE1 3.67Å; F64-F79 HydrophobicContact CZ-CE1 3.67Å; F64-F79 HydrophobicContact CZ-CE2 4.45Å; F64-F79 AromaticContact CZ-CZ 3.77Å; F64-F79 HydrophobicContact CZ-CZ 3.77Å; V77-F79 HydrophobicContact CB-CD2 4.26Å; V77-F79 HydrophobicContact CB-CE2 3.71Å; V77-F79 HydrophobicContact CG1-CD2 3.8Å; V77-F79 HydrophobicContact CG1-CE2 3.4Å; V77-F79 VanDerWaalsContact CG1-CE2 3.4Å; V77-F79 HydrophobicContact CG1-CZ 4.05Å; V77-F79 WeakPolarHBondContact O-CD2 3.29Å; F79-T83 HydrophobicContact CD1-CG2 3.64Å; F79-T83 HydrophobicContact CE1-CG2 3.93Å; F79-L84 HydrophobicContact CB-CD1 4.48Å; F79-F94 HydrophobicContact CE1-CB 3.64Å; F79-F94 HydrophobicContact CZ-CB 4.24Å; F79-V98 HydrophobicContact CE2-CG2 4.45Å; F79-V98 HydrophobicContact CZ-CG2 3.91Å; F79-V105 HydrophobicContact CD2-CG1 3.91Å; F79-V105 HydrophobicContact CE2-CG1 3.92Å; F79-V105 HydrophobicContact CE2-CG2 4.47Å; F79-G106 WeakPolarHBondContact CB-O 3.43Å; F79-G106 WeakPolarHBondContact CD2-O 3.43Å; F79-G106 PolarHBondContact N-O 2.84Å; F79-I107 HydrophobicContact CB-CD1 4.34Å; F79-I107 WeakPolarHBondContact O-CD1 3.2Å; F79-K108 PolarHBondContact O-N 2.79Å
80	F	98.7	Very high	98.2	Very high	45 Å²	45	36.1 Å²	36.1	20%	0.197	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-88.1	159.2	157.4	-173.8	-118.7	0	0	0	109.5	E82 T83 L84	F80-E82 VanDerWaalsContact C-N 3.33Å; F80-E82 HydrophobicContact CD1-CB 3.85Å; F80-E82 HydrophobicContact CE1-CB 4.18Å; F80-E82 PolarHBondContact O-N 3.2Å; F80-T83 PolarHBondContact O-N 3.01Å; F80-T83 VanDerWaalsContact O-N 3.1Å; F80-L84 PolarHBondContact O-N 2.59Å
81	H	98.6	Very high	98.3	Very high	89 Å²	89	38 Å²	38	41%	0.412	21%	0.205	S	C	.	.	H	α-helix	trans	-54.2	-46.2	-177.1	-179.9	72	0	0	0	112.8	T83 L84 Y85 Y138	H81-T83 PolarHBondContact O-N 2.92Å; H81-L84 WeakPolarHBondContact O-CB 3.33Å; H81-L84 PolarHBondContact O-N 3.34Å; H81-Y85 AromaticContact CE1-CD2 4Å; H81-Y85 AromaticContact CE1-CE2 3.35Å; H81-Y85 WeakPolarHBondContact CE1-CE2 3.25Å; H81-Y85 AromaticContact ND1-CE2 3.56Å; H81-Y85 VanDerWaalsContact O-CD2 3.26Å; H81-Y85 WeakPolarHBondContact O-CD2 3.12Å; H81-Y138 AromaticContact ND1-CE1 3.59Å; H81-Y138 AromaticContact ND1-CZ 3.77Å; H81-Y138 PolarHBondContact ND1-OH 3.44Å; H81-Y138 VanDerWaalsContact ND1-OH 3.09Å
82	E	98.6	Very high	98.3	Very high	42 Å²	42	41.1 Å²	41.1	20%	0.196	22%	0.217	C	C	.	.	H	α-helix	trans	-55.1	-50.3	176.3	-176.2	-173.4	87	0	0	111.4	R56 F80 L84 Y85 Q86	R56-E82 IonicContact CZ-OE1 3.35Å; R56-E82 IonicContact CZ-OE2 3.09Å; R56-E82 IonicContact NE-OE1 3.83Å; R56-E82 PolarHBondContact NE-OE1 3.31Å; R56-E82 IonicContact NE-OE2 2.77Å; R56-E82 PolarHBondContact NE-OE2 3.07Å; R56-E82 IonicContact NH2-OE1 2.65Å; R56-E82 PolarHBondContact NH2-OE1 3.49Å; R56-E82 IonicContact NH2-OE2 2.72Å; R56-E82 PolarHBondContact NH2-OE2 3.11Å; F80-E82 VanDerWaalsContact C-N 3.33Å; F80-E82 HydrophobicContact CD1-CB 3.85Å; F80-E82 HydrophobicContact CE1-CB 4.18Å; F80-E82 PolarHBondContact O-N 3.2Å; E82-L84 VanDerWaalsContact C-N 3.29Å; E82-L84 PolarHBondContact O-N 3.48Å; E82-Y85 PolarHBondContact O-N 3Å; E82-Q86 HydrophobicContact CG-CG 4.49Å; E82-Q86 WeakPolarHBondContact O-CG 3.29Å; E82-Q86 PolarHBondContact O-N 3.47Å; E82-Q86 PolarHBondContact OE1-NE2 3.44Å
83	T	98.6	Very high	98.3	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.018	20%	0.202	C	C	.	.	H	α-helix	trans	-66.1	-29.4	-176.8	-45.1	0	0	0	0	113	R60 F64 F79 F80 H81 Y85 Q86 F94	R60-T83 HydrophobicContact CB-CG2 3.89Å; R60-T83 HydrophobicContact CG-CG2 3.64Å; F64-T83 HydrophobicContact CE2-CG2 3.66Å; F64-T83 HydrophobicContact CZ-CG2 4.16Å; F79-T83 HydrophobicContact CD1-CG2 3.64Å; F79-T83 HydrophobicContact CE1-CG2 3.93Å; F80-T83 PolarHBondContact O-N 3.01Å; F80-T83 VanDerWaalsContact O-N 3.1Å; H81-T83 PolarHBondContact O-N 2.92Å; T83-Y85 PolarHBondContact O-N 3.33Å; T83-Q86 PolarHBondContact O-N 3.21Å; T83-F94 HydrophobicContact CG2-CD2 3.76Å; T83-F94 HydrophobicContact CG2-CE2 4.2Å; T83-F94 WeakPolarHBondContact O-CD2 3.32Å
84	L	98.8	Very high	98.4	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.016	20%	0.198	C	C	.	.	H	α-helix	trans	-60.1	-33.2	178.5	-170.8	72.4	0	0	0	112.1	F79 F80 H81 E82 P95 V105 I107 Y138 D141 C143	F79-L84 HydrophobicContact CB-CD1 4.48Å; F80-L84 PolarHBondContact O-N 2.59Å; H81-L84 WeakPolarHBondContact O-CB 3.33Å; H81-L84 PolarHBondContact O-N 3.34Å; E82-L84 VanDerWaalsContact C-N 3.29Å; E82-L84 PolarHBondContact O-N 3.48Å; L84-P95 HydrophobicContact CD1-CG 3.53Å; L84-P95 HydrophobicContact CG-CG 4.24Å; L84-P95 VanDerWaalsContact O-CD 3.3Å; L84-P95 WeakPolarHBondContact O-CD 3.47Å; L84-P95 WeakPolarHBondContact O-CG 3.46Å; L84-V105 HydrophobicContact CD1-CG1 4.09Å; L84-I107 HydrophobicContact CB-CD1 4.42Å; L84-I107 HydrophobicContact CD2-CD1 4.26Å; L84-Y138 HydrophobicContact CD2-CD1 3.46Å; L84-Y138 VanDerWaalsContact CD2-CD1 3.46Å; L84-Y138 HydrophobicContact CD2-CE1 3.85Å; L84-Y138 HydrophobicContact CD2-CG 4.49Å; L84-D141 HydrophobicContact CD2-CB 4.5Å; L84-C143 WeakPolarHBondContact CD1-SG 3.49Å
85	Y	98.7	Very high	98.3	Very high	96 Å²	96	38 Å²	38	38%	0.376	20%	0.199	S	C	.	.	H	α-helix	trans	-104.7	1	-177.2	-58	-73.3	0	0	0	113.8	H81 E82 T83 Y138 D141	H81-Y85 AromaticContact CE1-CD2 4Å; H81-Y85 AromaticContact CE1-CE2 3.35Å; H81-Y85 WeakPolarHBondContact CE1-CE2 3.25Å; H81-Y85 AromaticContact ND1-CE2 3.56Å; H81-Y85 VanDerWaalsContact O-CD2 3.26Å; H81-Y85 WeakPolarHBondContact O-CD2 3.12Å; E82-Y85 PolarHBondContact O-N 3Å; T83-Y85 PolarHBondContact O-N 3.33Å; Y85-Y138 HydrophobicContact CE2-CE1 4.47Å; Y85-D141 HydrophobicContact CE1-CB 4.35Å; Y85-D141 WeakPolarHBondContact CE1-OD2 3.38Å; Y85-D141 PolarHBondContact OH-OD2 2.81Å
86	Q	98.8	Very high	98.3	Very high	10 Å²	10	42.3 Å²	42.3	5%	0.047	22%	0.219	C	C	.	.			trans	-76	156.9	172.2	-81.5	173.8	-18	0	0	112	R57 E82 T83 F94	R57-Q86 HydrophobicContact CG-CB 4.22Å; R57-Q86 HydrophobicContact CG-CG 4.25Å; E82-Q86 HydrophobicContact CG-CG 4.49Å; E82-Q86 WeakPolarHBondContact O-CG 3.29Å; E82-Q86 PolarHBondContact O-N 3.47Å; E82-Q86 PolarHBondContact OE1-NE2 3.44Å; T83-Q86 PolarHBondContact O-N 3.21Å; Q86-F94 HydrophobicContact CB-CD2 3.59Å; Q86-F94 HydrophobicContact CB-CE2 3.44Å; Q86-F94 VanDerWaalsContact CB-CE2 3.44Å; Q86-F94 PolarHBondContact O-N 2.96Å; Q86-F94 VanDerWaalsContact O-N 3.11Å
87	K	98.7	Very high	98.3	Very high	118 Å²	118	43.1 Å²	43.1	51%	0.513	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	-116.5	148.7	-179.9	-66.3	175.7	176.9	-177.2	0	111.2	R57 G91 K92 L93	R57-K87 WeakPolarHBondContact CD-O 3.28Å; R57-K87 PolarHBondContact NH1-O 3.02Å; K87-G91 WeakPolarHBondContact CD-O 3.49Å; K87-K92 CarbonylContact C-O 3.55Å; K87-K92 VanDerWaalsContact CA-O 3.29Å; K87-K92 WeakPolarHBondContact CA-O 3.27Å; K87-L93 HydrophobicContact CG-CD2 3.9Å; K87-L93 HydrophobicContact CG-CG 4.45Å
88	S	97.8	Very high	98.2	Very high	10 Å²	10	43.1 Å²	43.1	7%	0.07	22%	0.224	C	C	.	.			trans	-69.7	167.8	166	58.7	0	0	0	0	111.7	E61 S90 G91 K92	E61-S88 VanDerWaalsContact OE1-CB 3.27Å; E61-S88 WeakPolarHBondContact OE1-CB 3.16Å; E61-S88 WeakPolarHBondContact OE2-CA 3.46Å; S88-S90 PolarHBondContact O-N 3.08Å; S88-S90 VanDerWaalsContact O-N 3.12Å; S88-S90 PolarHBondContact OG-OG 3.41Å; S88-G91 PolarHBondContact O-N 3.37Å; S88-K92 PolarHBondContact N-O 3.44Å; S88-K92 PolarHBondContact OG-N 3.25Å; S88-K92 PolarHBondContact OG-O 3.5Å; S88-K92 VanDerWaalsContact OG-O 3.04Å
89	D	96.8	Very high	98.2	Very high	104 Å²	104	47.2 Å²	47.2	56%	0.556	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-24	172.4	-67	-18.2	0	0	0	111.5	R57 E61 G91 K321	R57-D89 IonicContact CZ-OD1 2.63Å; R57-D89 IonicContact NH1-OD1 2.64Å; R57-D89 PolarHBondContact NH1-OD1 3.32Å; R57-D89 IonicContact NH2-OD1 3.73Å; R57-D89 PolarHBondContact NH2-OD1 3.44Å; E61-D89 VanDerWaalsContact CD-N 3.32Å; E61-D89 PolarHBondContact OE1-N 2.94Å; E61-D89 VanDerWaalsContact OE2-CG 3.31Å; E61-D89 PolarHBondContact OE2-N 3.25Å; D89-G91 VanDerWaalsContact C-N 3.27Å; D89-G91 PolarHBondContact O-N 2.99Å; D89-K321 IonicContact OD2-NZ 3.56Å
90	S	95.6	Very high	98.1	Very high	85 Å²	85	53.1 Å²	53.1	59%	0.594	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-0.4	174.1	75.3	0	0	0	0	114.8	S88 K92	S88-S90 PolarHBondContact O-N 3.08Å; S88-S90 VanDerWaalsContact O-N 3.12Å; S88-S90 PolarHBondContact OG-OG 3.41Å; S90-K92 VanDerWaalsContact C-N 3.25Å; S90-K92 PolarHBondContact O-N 3.14Å
91	G	97.6	Very high	98.1	Very high	45 Å²	45	52.9 Å²	52.9	46%	0.464	27%	0.268	S	S	.	.	S	Bend	trans	79.8	-5.1	-177.5	0	0	0	0	0	115.2	K87 S88 D89	K87-G91 WeakPolarHBondContact CD-O 3.49Å; S88-G91 PolarHBondContact O-N 3.37Å; D89-G91 VanDerWaalsContact C-N 3.27Å; D89-G91 PolarHBondContact O-N 2.99Å
92	K	98.1	Very high	98	Very high	78 Å²	78	51.2 Å²	51.2	34%	0.339	28%	0.275	S	S	.	.			trans	-74.9	141.2	174.6	-63.9	-172.1	-175.3	-170.5	0	111.7	K87 S88 S90 V97 E100	K87-K92 CarbonylContact C-O 3.55Å; K87-K92 VanDerWaalsContact CA-O 3.29Å; K87-K92 WeakPolarHBondContact CA-O 3.27Å; S88-K92 PolarHBondContact N-O 3.44Å; S88-K92 PolarHBondContact OG-N 3.25Å; S88-K92 PolarHBondContact OG-O 3.5Å; S88-K92 VanDerWaalsContact OG-O 3.04Å; S90-K92 VanDerWaalsContact C-N 3.25Å; S90-K92 PolarHBondContact O-N 3.14Å; K92-V97 HydrophobicContact CB-CG2 3.92Å; K92-E100 IonicContact NZ-OE1 3.33Å; K92-E100 PolarHBondContact NZ-OE1 2.8Å; K92-E100 IonicContact NZ-OE2 2.64Å; K92-E100 PolarHBondContact NZ-OE2 3.23Å
93	L	98.5	Very high	98	Very high	56 Å²	56	49.7 Å²	49.7	29%	0.293	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	-63	140.2	170.3	-74.3	170.6	0	0	0	110	K87 P95 Q96 V97	K87-L93 HydrophobicContact CG-CD2 3.9Å; K87-L93 HydrophobicContact CG-CG 4.45Å; L93-P95 VanDerWaalsContact C-N 3.34Å; L93-Q96 HydrophobicContact CB-CG 4.22Å; L93-Q96 WeakPolarHBondContact O-CA 3.43Å; L93-Q96 VanDerWaalsContact O-CB 3.31Å; L93-Q96 WeakPolarHBondContact O-CB 3.16Å; L93-Q96 PolarHBondContact O-N 2.87Å; L93-V97 PolarHBondContact O-N 2.9Å
94	F	98.7	Very high	98	Very high	1 Å²	1	49.7 Å²	49.7	0%	0.004	27%	0.268	C	S	.	.	H	α-helix	trans	-57.6	-36.7	-179	-70.2	-44.5	0	0	0	115	R57 R60 E61 F64 F79 T83 Q86 Q96 V97 V98	R57-F94 HydrophobicContact CG-CE2 4.02Å; R57-F94 HydrophobicContact CG-CZ 3.92Å; R60-F94 HydrophobicContact CB-CE2 4.04Å; R60-F94 HydrophobicContact CB-CZ 4.33Å; E61-F94 HydrophobicContact CB-CE1 3.73Å; E61-F94 HydrophobicContact CB-CZ 3.82Å; E61-F94 HydrophobicContact CG-CE1 4.21Å; F64-F94 HydrophobicContact CD2-CB 3.81Å; F64-F94 AromaticContact CD2-CD1 3.71Å; F64-F94 HydrophobicContact CD2-CD1 3.71Å; F64-F94 HydrophobicContact CD2-CD2 4.13Å; F64-F94 HydrophobicContact CD2-CE1 4.25Å; F64-F94 AromaticContact CD2-CG 3.65Å; F64-F94 HydrophobicContact CD2-CG 3.65Å; F64-F94 HydrophobicContact CE2-CB 4.03Å; F64-F94 HydrophobicContact CE2-CD1 4.47Å; F64-F94 HydrophobicContact CE2-CD2 4.1Å; F64-F94 AromaticContact CE2-CG 3.99Å; F64-F94 HydrophobicContact CE2-CG 3.99Å; F79-F94 HydrophobicContact CE1-CB 3.64Å; F79-F94 HydrophobicContact CZ-CB 4.24Å; T83-F94 HydrophobicContact CG2-CD2 3.76Å; T83-F94 HydrophobicContact CG2-CE2 4.2Å; T83-F94 WeakPolarHBondContact O-CD2 3.32Å; Q86-F94 HydrophobicContact CB-CD2 3.59Å; Q86-F94 HydrophobicContact CB-CE2 3.44Å; Q86-F94 VanDerWaalsContact CB-CE2 3.44Å; Q86-F94 PolarHBondContact O-N 2.96Å; Q86-F94 VanDerWaalsContact O-N 3.11Å; F94-Q96 PolarHBondContact O-N 3.47Å; F94-V97 WeakPolarHBondContact O-CB 3.44Å; F94-V97 PolarHBondContact O-N 3.42Å; F94-V97 VanDerWaalsContact O-N 3.16Å; F94-V98 PolarHBondContact O-N 3.38Å
95	P	98.4	Very high	98	Very high	7 Å²	7	49.5 Å²	49.5	5%	0.045	27%	0.267	C	S	.	.	H	α-helix	trans	-53.7	-38.1	169.9	-32.8	39.1	0	0	0	113.9	L84 L93 K99 V105	L84-P95 HydrophobicContact CD1-CG 3.53Å; L84-P95 HydrophobicContact CG-CG 4.24Å; L84-P95 VanDerWaalsContact O-CD 3.3Å; L84-P95 WeakPolarHBondContact O-CD 3.47Å; L84-P95 WeakPolarHBondContact O-CG 3.46Å; L93-P95 VanDerWaalsContact C-N 3.34Å; P95-K99 VanDerWaalsContact O-CB 3.29Å; P95-K99 WeakPolarHBondContact O-CB 3.27Å; P95-K99 VanDerWaalsContact O-CG 3.23Å; P95-K99 WeakPolarHBondContact O-CG 3.46Å; P95-K99 PolarHBondContact O-N 3.16Å; P95-V105 HydrophobicContact CB-CG1 4.19Å; P95-V105 HydrophobicContact CB-CG2 4.16Å; P95-V105 HydrophobicContact CG-CG1 4.34Å
96	Q	98.3	Very high	98	Very high	93 Å²	93	45 Å²	45	44%	0.435	25%	0.249	S	C	.	.	H	α-helix	trans	-68.3	-45.8	177.1	-62.8	172.2	-18.8	0	0	110.7	L93 F94 V98 K99 E100	L93-Q96 HydrophobicContact CB-CG 4.22Å; L93-Q96 WeakPolarHBondContact O-CA 3.43Å; L93-Q96 VanDerWaalsContact O-CB 3.31Å; L93-Q96 WeakPolarHBondContact O-CB 3.16Å; L93-Q96 PolarHBondContact O-N 2.87Å; F94-Q96 PolarHBondContact O-N 3.47Å; Q96-V98 VanDerWaalsContact C-N 3.26Å; Q96-V98 PolarHBondContact O-N 3.15Å; Q96-K99 PolarHBondContact O-N 2.82Å; Q96-E100 WeakPolarHBondContact O-CB 3.47Å; Q96-E100 VanDerWaalsContact O-CG 3.31Å; Q96-E100 WeakPolarHBondContact O-CG 3.46Å; Q96-E100 PolarHBondContact O-N 3.27Å
97	V	98.1	Very high	98	Very high	17 Å²	17	44.5 Å²	44.5	10%	0.103	25%	0.247	C	C	.	.	H	α-helix	trans	-56.1	-41.5	178.3	178.6	0	0	0	0	111.8	F64 K92 L93 F94	F64-V97 HydrophobicContact CB-CG1 4.38Å; K92-V97 HydrophobicContact CB-CG2 3.92Å; L93-V97 PolarHBondContact O-N 2.9Å; F94-V97 WeakPolarHBondContact O-CB 3.44Å; F94-V97 PolarHBondContact O-N 3.42Å; F94-V97 VanDerWaalsContact O-N 3.16Å
98	V	97.8	Very high	98	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.018	23%	0.226	C	C	.	.	H	α-helix	trans	-76	-40.7	179.7	174.2	0	0	0	0	111.4	F64 V77 F79 F94 Q96 E100 K101 I103 V105	F64-V98 HydrophobicContact CB-CG2 4.04Å; F64-V98 HydrophobicContact CD1-CG2 4.06Å; F64-V98 HydrophobicContact CG-CG2 3.95Å; V77-V98 HydrophobicContact CB-CG1 4.25Å; V77-V98 HydrophobicContact CG2-CG1 3.86Å; F79-V98 HydrophobicContact CE2-CG2 4.45Å; F79-V98 HydrophobicContact CZ-CG2 3.91Å; F94-V98 PolarHBondContact O-N 3.38Å; Q96-V98 VanDerWaalsContact C-N 3.26Å; Q96-V98 PolarHBondContact O-N 3.15Å; V98-E100 PolarHBondContact O-N 2.99Å; V98-K101 PolarHBondContact O-N 2.88Å; V98-K101 VanDerWaalsContact O-N 3.17Å; V98-I103 HydrophobicContact CG1-CB 3.48Å; V98-I103 VanDerWaalsContact CG1-CB 3.48Å; V98-I103 HydrophobicContact CG1-CD1 4.44Å; V98-I103 HydrophobicContact CG1-CG2 3.47Å; V98-I103 VanDerWaalsContact CG1-CG2 3.47Å; V98-I103 PolarHBondContact O-N 2.73Å; V98-V105 HydrophobicContact CB-CG2 4.38Å; V98-V105 HydrophobicContact CG1-CG2 4.26Å
99	K	97.9	Very high	98.1	Very high	87 Å²	87	39.1 Å²	39.1	38%	0.378	22%	0.223	S	C	.	.	H	α-helix	trans	-65.3	-35.6	177.4	-79.1	-177	177.7	-165.6	0	113.8	P95 Q96 K101 G102 V105 G142	P95-K99 VanDerWaalsContact O-CB 3.29Å; P95-K99 WeakPolarHBondContact O-CB 3.27Å; P95-K99 VanDerWaalsContact O-CG 3.23Å; P95-K99 WeakPolarHBondContact O-CG 3.46Å; P95-K99 PolarHBondContact O-N 3.16Å; Q96-K99 PolarHBondContact O-N 2.82Å; K99-K101 PolarHBondContact O-N 3.11Å; K99-K101 VanDerWaalsContact O-N 3.09Å; K99-G102 PolarHBondContact O-N 3.04Å; K99-V105 HydrophobicContact CD-CG2 4.41Å; K99-V105 HydrophobicContact CG-CG2 3.81Å; K99-G142 WeakPolarHBondContact CE-O 3.3Å; K99-G142 PolarHBondContact NZ-O 3.42Å
100	E	97.5	Very high	98.2	Very high	124 Å²	124	34.7 Å²	34.7	58%	0.579	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-20.7	175.4	-77	173.9	-176.8	0	0	112.5	K92 Q96 V98	K92-E100 IonicContact NZ-OE1 3.33Å; K92-E100 PolarHBondContact NZ-OE1 2.8Å; K92-E100 IonicContact NZ-OE2 2.64Å; K92-E100 PolarHBondContact NZ-OE2 3.23Å; Q96-E100 WeakPolarHBondContact O-CB 3.47Å; Q96-E100 VanDerWaalsContact O-CG 3.31Å; Q96-E100 WeakPolarHBondContact O-CG 3.46Å; Q96-E100 PolarHBondContact O-N 3.27Å; V98-E100 PolarHBondContact O-N 2.99Å
101	K	97.3	Very high	98.3	Very high	40 Å²	40	36 Å²	36	17%	0.174	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	2.5	175	-59.8	173.6	-176.6	-177.9	0	113.3	F64 S66 P68 I70 A71 V98 K99 I103	F64-K101 PolarHBondContact O-NZ 2.83Å; S66-K101 PolarHBondContact O-NZ 2.84Å; P68-K101 HydrophobicContact CB-CG 4.39Å; I70-K101 HydrophobicContact CG2-CD 4.42Å; A71-K101 HydrophobicContact CB-CB 4.39Å; A71-K101 WeakPolarHBondContact CB-O 3.35Å; V98-K101 PolarHBondContact O-N 2.88Å; V98-K101 VanDerWaalsContact O-N 3.17Å; K99-K101 PolarHBondContact O-N 3.11Å; K99-K101 VanDerWaalsContact O-N 3.09Å; K101-I103 VanDerWaalsContact C-N 3.34Å; K101-I103 HydrophobicContact CB-CD1 4.06Å; K101-I103 HydrophobicContact CB-CG1 4.13Å
102	G	97.5	Very high	98.2	Very high	54 Å²	54	34.8 Å²	34.8	56%	0.557	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.7	20.9	-176.2	0	0	0	0	0	114.2	K99	K99-G102 PolarHBondContact O-N 3.04Å
103	I	98.7	Very high	98.2	Very high	9 Å²	9	33.2 Å²	33.2	5%	0.046	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-96.4	135.8	179.8	-57	173.5	0	0	0	109.3	I70 A71 I74 V77 V98 K101	I70-I103 HydrophobicContact CG2-CD1 4.08Å; A71-I103 HydrophobicContact CB-CD1 4.17Å; A71-I103 HydrophobicContact CB-CG1 3.89Å; I74-I103 HydrophobicContact CB-CD1 4.22Å; I74-I103 HydrophobicContact CG2-CD1 4.23Å; I74-I103 HydrophobicContact CG2-CG2 3.89Å; V77-I103 HydrophobicContact CG2-CG2 3.84Å; V98-I103 HydrophobicContact CG1-CB 3.48Å; V98-I103 VanDerWaalsContact CG1-CB 3.48Å; V98-I103 HydrophobicContact CG1-CD1 4.44Å; V98-I103 HydrophobicContact CG1-CG2 3.47Å; V98-I103 VanDerWaalsContact CG1-CG2 3.47Å; V98-I103 PolarHBondContact O-N 2.73Å; K101-I103 VanDerWaalsContact C-N 3.34Å; K101-I103 HydrophobicContact CB-CD1 4.06Å; K101-I103 HydrophobicContact CB-CG1 4.13Å
104	V	98.9	Very high	98.1	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.018	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	139.2	-179.5	-169	0	0	0	0	110.2	I19 R22 I23 G75 G76 V77 D144 F145	I19-V104 HydrophobicContact CG2-CG1 4.23Å; R22-V104 HydrophobicContact CB-CG2 4.22Å; I23-V104 HydrophobicContact CD1-CG1 4.31Å; I23-V104 HydrophobicContact CG1-CB 3.93Å; I23-V104 HydrophobicContact CG1-CG1 4.12Å; I23-V104 HydrophobicContact CG1-CG2 3.94Å; G75-V104 WeakPolarHBondContact O-CB 3.33Å; G75-V104 WeakPolarHBondContact O-CG2 3.37Å; G75-V104 PolarHBondContact O-N 3.44Å; G76-V104 CarbonylContact C-O 3.6Å; G76-V104 VanDerWaalsContact CA-O 3.22Å; G76-V104 WeakPolarHBondContact CA-O 3.4Å; V77-V104 PolarHBondContact N-O 2.8Å; V104-D144 HydrophobicContact CG1-CB 3.61Å; V104-F145 HydrophobicContact CB-CD1 4.31Å; V104-F145 HydrophobicContact CB-CE1 4.17Å; V104-F145 HydrophobicContact CG1-CD1 3.66Å; V104-F145 HydrophobicContact CG1-CE1 3.99Å
105	V	98.9	Very high	98.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	132.3	178.8	177.2	0	0	0	0	109.5	F79 L84 P95 V98 K99 C143 D144 F145	F79-V105 HydrophobicContact CD2-CG1 3.91Å; F79-V105 HydrophobicContact CE2-CG1 3.92Å; F79-V105 HydrophobicContact CE2-CG2 4.47Å; L84-V105 HydrophobicContact CD1-CG1 4.09Å; P95-V105 HydrophobicContact CB-CG1 4.19Å; P95-V105 HydrophobicContact CB-CG2 4.16Å; P95-V105 HydrophobicContact CG-CG1 4.34Å; V98-V105 HydrophobicContact CB-CG2 4.38Å; V98-V105 HydrophobicContact CG1-CG2 4.26Å; K99-V105 HydrophobicContact CD-CG2 4.41Å; K99-V105 HydrophobicContact CG-CG2 3.81Å; V105-C143 CarbonylContact O-C 3.58Å; V105-C143 WeakPolarHBondContact O-CA 3.34Å; V105-D144 PolarHBondContact O-N 2.87Å; V105-F145 WeakPolarHBondContact O-CD1 3.43Å
106	G	98.9	Very high	98.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	167.8	174.2	0	0	0	0	0	113.1	V77 F79 F145	V77-G106 PolarHBondContact O-N 2.77Å; F79-G106 WeakPolarHBondContact CB-O 3.43Å; F79-G106 WeakPolarHBondContact CD2-O 3.43Å; F79-G106 PolarHBondContact N-O 2.84Å; G106-F145 CarbonylContact C-O 3.53Å; G106-F145 WeakPolarHBondContact CA-O 3.37Å
107	I	98.9	Very high	98	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	134.9	-168.7	-176.4	61.9	0	0	0	111.5	F79 L84 V109 Y138 C143 F145 A146 K147	F79-I107 HydrophobicContact CB-CD1 4.34Å; F79-I107 WeakPolarHBondContact O-CD1 3.2Å; L84-I107 HydrophobicContact CB-CD1 4.42Å; L84-I107 HydrophobicContact CD2-CD1 4.26Å; I107-V109 HydrophobicContact CG1-CG1 4.32Å; I107-V109 HydrophobicContact CG2-CG1 3.83Å; I107-V109 PolarHBondContact O-N 2.87Å; I107-Y138 HydrophobicContact CD1-CE1 4.39Å; I107-Y138 HydrophobicContact CG1-CD1 4.09Å; I107-Y138 HydrophobicContact CG1-CD2 3.95Å; I107-Y138 HydrophobicContact CG1-CE1 4.05Å; I107-Y138 HydrophobicContact CG1-CE2 3.89Å; I107-Y138 HydrophobicContact CG1-CG 4.07Å; I107-Y138 HydrophobicContact CG2-CD2 3.84Å; I107-Y138 HydrophobicContact CG2-CG 3.97Å; I107-C143 HydrophobicContact CB-CB 4.48Å; I107-C143 HydrophobicContact CG2-CB 3.96Å; I107-F145 PolarHBondContact N-O 3.34Å; I107-A146 HydrophobicContact CG2-CB 4.5Å; I107-A146 CarbonylContact O-C 3.58Å; I107-A146 VanDerWaalsContact O-CA 3.23Å; I107-A146 WeakPolarHBondContact O-CA 3.22Å; I107-K147 PolarHBondContact O-N 2.87Å
108	K	98.8	Very high	98	Very high	16 Å²	16	42.5 Å²	42.5	7%	0.07	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	123.9	167.2	177.7	-178.1	-173.1	-73.4	0	109.5	D34 F79 D110	D34-K108 HydrophobicContact CB-CB 3.82Å; D34-K108 HydrophobicContact CB-CD 4.43Å; F79-K108 PolarHBondContact O-N 2.79Å; K108-D110 WeakPolarHBondContact CE-OD1 3.04Å; K108-D110 WeakPolarHBondContact CE-OD2 3.47Å; K108-D110 PolarHBondContact NZ-O 3.26Å; K108-D110 IonicContact NZ-OD1 2.67Å; K108-D110 PolarHBondContact NZ-OD1 3.33Å; K108-D110 IonicContact NZ-OD2 2.9Å; K108-D110 PolarHBondContact NZ-OD2 3.27Å
109	V	98.8	Very high	98	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	28%	0.278	C	S	.	.			trans	-114.9	-16.9	-175	-60.8	0	0	0	0	114.5	I107 L131 R134 Y138 A146 K147 W148 Y174	I107-V109 HydrophobicContact CG1-CG1 4.32Å; I107-V109 HydrophobicContact CG2-CG1 3.83Å; I107-V109 PolarHBondContact O-N 2.87Å; V109-L131 HydrophobicContact CB-CD1 3.75Å; V109-L131 HydrophobicContact CG1-CD1 4.45Å; V109-L131 HydrophobicContact CG2-CD1 3.85Å; V109-R134 PolarHBondContact O-NH1 3.11Å; V109-R134 PolarHBondContact O-NH2 3.12Å; V109-Y138 HydrophobicContact CG1-CD2 4.01Å; V109-Y138 HydrophobicContact CG1-CE2 3.91Å; V109-A146 HydrophobicContact CG1-CB 4.15Å; V109-A146 HydrophobicContact CG2-CB 4.13Å; V109-K147 PolarHBondContact N-O 3.46Å; V109-W148 HydrophobicContact CG2-CE3 4.07Å; V109-Y174 HydrophobicContact CG2-CD2 3.79Å; V109-Y174 HydrophobicContact CG2-CE2 3.41Å; V109-Y174 VanDerWaalsContact CG2-CE2 3.41Å
110	D	98.6	Very high	97.9	Very high	11 Å²	11	44.7 Å²	44.7	6%	0.059	29%	0.287	C	S	.	.			trans	-66.5	150.8	173.4	76.7	77.3	0	0	0	112.1	K108 G112 T125 W148 R149	K108-D110 WeakPolarHBondContact CE-OD1 3.04Å; K108-D110 WeakPolarHBondContact CE-OD2 3.47Å; K108-D110 PolarHBondContact NZ-O 3.26Å; K108-D110 IonicContact NZ-OD1 2.67Å; K108-D110 PolarHBondContact NZ-OD1 3.33Å; K108-D110 IonicContact NZ-OD2 2.9Å; K108-D110 PolarHBondContact NZ-OD2 3.27Å; D110-G112 PolarHBondContact OD1-N 3.23Å; D110-T125 HydrophobicContact CB-CG2 3.62Å; D110-W148 HydrophobicContact CB-CB 4.39Å; D110-W148 HydrophobicContact CB-CD2 3.48Å; D110-W148 VanDerWaalsContact CB-CD2 3.48Å; D110-W148 HydrophobicContact CB-CE3 3.69Å; D110-W148 HydrophobicContact CB-CG 3.81Å; D110-W148 HydrophobicContact CB-CH2 4.47Å; D110-W148 HydrophobicContact CB-CZ2 4.3Å; D110-W148 HydrophobicContact CB-CZ3 4.18Å; D110-R149 PolarHBondContact OD2-N 2.84Å
111	K	97.9	Very high	97.8	Very high	111 Å²	111	41.8 Å²	41.8	48%	0.483	29%	0.291	S	S	.	.			trans	-104.4	28.6	179.3	-63.2	-176.2	-176.9	168.4	0	112	Q126	K111-Q126 HydrophobicContact CB-CG 4.15Å; K111-Q126 PolarHBondContact N-O 2.78Å; K111-Q126 PolarHBondContact O-NE2 3Å
112	G	96.3	Very high	97.9	Very high	21 Å²	21	40.3 Å²	40.3	22%	0.216	29%	0.285	C	S	.	.			trans	84.2	178.6	178	0	0	0	0	0	114.3	D110 T125 Q126	D110-G112 PolarHBondContact OD1-N 3.23Å; G112-T125 WeakPolarHBondContact O-CG2 3.23Å; G112-Q126 WeakPolarHBondContact O-CG 3.35Å; G112-Q126 PolarHBondContact O-N 2.92Å
113	T	97.3	Very high	97.9	Very high	44 Å²	44	39.2 Å²	39.2	27%	0.27	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	150.2	-177.5	50.7	0	0	0	0	112.5	T124 V151	T113-T124 CarbonylContact C-O 3.52Å; T113-T124 WeakPolarHBondContact CA-O 3.41Å; T113-V151 HydrophobicContact CG2-CB 4.22Å; T113-V151 HydrophobicContact CG2-CG2 3.61Å
114	A	97.3	Very high	97.9	Very high	34 Å²	34	39.6 Å²	39.6	28%	0.281	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	144.2	170.2	0	0	0	0	0	109.8	T123 T124	A114-T123 CarbonylContact O-C 3.23Å; A114-T123 WeakPolarHBondContact O-CA 3.49Å; A114-T123 WeakPolarHBondContact O-CB 3.39Å; A114-T124 PolarHBondContact N-O 3.46Å; A114-T124 PolarHBondContact O-N 3.21Å
115	G	98.1	Very high	97.9	Very high	59 Å²	59	39.6 Å²	39.6	61%	0.608	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	142.6	-179.5	0	0	0	0	0	112.6
116	L	98.1	Very high	97.9	Very high	27 Å²	27	44.6 Å²	44.6	14%	0.141	29%	0.293	C	S	.	.			trans	-92.8	110.7	172.2	-72.2	170.7	0	0	0	110	G118 T119 E122 T124 A163 E166	L116-G118 PolarHBondContact O-N 3.31Å; L116-T119 HydrophobicContact CB-CG2 3.66Å; L116-T119 WeakPolarHBondContact O-CB 2.97Å; L116-T119 PolarHBondContact O-N 3.27Å; L116-T119 PolarHBondContact O-OG1 3.07Å; L116-E122 HydrophobicContact CD1-CB 4.47Å; L116-E122 PolarHBondContact N-O 2.85Å; L116-T124 HydrophobicContact CD2-CG2 3.87Å; L116-T124 HydrophobicContact CG-CG2 4.41Å; L116-A163 HydrophobicContact CD1-CB 4.03Å; L116-E166 HydrophobicContact CD2-CG 4.04Å
117	N	97.3	Very high	97.9	Very high	159 Å²	159	45 Å²	45	85%	0.85	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	137.9	178.8	-71.9	-18.4	0	0	0	111.3	T119	N117-T119 VanDerWaalsContact C-N 3.28Å; N117-T119 PolarHBondContact O-N 2.89Å
118	G	96.9	Very high	97.9	Very high	90 Å²	90	47.1 Å²	47.1	93%	0.928	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	6.7	-178.2	0	0	0	0	0	114.8	L116	L116-G118 PolarHBondContact O-N 3.31Å
119	T	97.9	Very high	97.9	Very high	30 Å²	30	52.9 Å²	52.9	18%	0.184	34%	0.34	C	S	.	.	S	Bend	trans	-105.9	160.9	172	71.7	0	0	0	0	111.5	L116 N117 G121 E122 L162	L116-T119 HydrophobicContact CB-CG2 3.66Å; L116-T119 WeakPolarHBondContact O-CB 2.97Å; L116-T119 PolarHBondContact O-N 3.27Å; L116-T119 PolarHBondContact O-OG1 3.07Å; N117-T119 VanDerWaalsContact C-N 3.28Å; N117-T119 PolarHBondContact O-N 2.89Å; T119-G121 VanDerWaalsContact C-N 3.27Å; T119-G121 PolarHBondContact O-N 3Å; T119-E122 WeakPolarHBondContact CB-OE2 3.48Å; T119-E122 HydrophobicContact CG2-CB 4.36Å; T119-E122 WeakPolarHBondContact OG1-CB 3.47Å; T119-E122 PolarHBondContact OG1-N 2.88Å; T119-E122 VanDerWaalsContact OG1-N 3.16Å; T119-L162 HydrophobicContact CG2-CD2 3.85Å
120	D	95.8	Very high	97.8	Very high	107 Å²	107	54.8 Å²	54.8	57%	0.572	36%	0.359	S	S	*	.	S	Bend	trans	-76.2	78.6	170.4	172.4	37.2	0	0	0	109.5	E122 K153	D120-E122 PolarHBondContact O-N 2.75Å; D120-E122 VanDerWaalsContact O-N 3.08Å; D120-K153 WeakPolarHBondContact O-CE 3.5Å; D120-K153 PolarHBondContact O-NZ 3.45Å; D120-K153 IonicContact OD1-NZ 3.75Å; D120-K153 IonicContact OD2-NZ 2.69Å; D120-K153 PolarHBondContact OD2-NZ 3Å
121	G	95.7	Very high	97.9	Very high	63 Å²	63	54.3 Å²	54.3	65%	0.649	36%	0.357	S	S	*	.	S	Bend	trans	57.2	30.7	174.3	0	0	0	0	0	115	T119	T119-G121 VanDerWaalsContact C-N 3.27Å; T119-G121 PolarHBondContact O-N 3Å
122	E	98.3	Very high	97.9	Very high	9 Å²	9	51.3 Å²	51.3	4%	0.042	35%	0.35	C	S	.	.			trans	-85.8	163.4	173	-55.4	-175.8	101.5	0	0	110.7	L116 T119 D120 C158 P159 S160 A163	L116-E122 HydrophobicContact CD1-CB 4.47Å; L116-E122 PolarHBondContact N-O 2.85Å; T119-E122 WeakPolarHBondContact CB-OE2 3.48Å; T119-E122 HydrophobicContact CG2-CB 4.36Å; T119-E122 WeakPolarHBondContact OG1-CB 3.47Å; T119-E122 PolarHBondContact OG1-N 2.88Å; T119-E122 VanDerWaalsContact OG1-N 3.16Å; D120-E122 PolarHBondContact O-N 2.75Å; D120-E122 VanDerWaalsContact O-N 3.08Å; E122-C158 HydrophobicContact CG-CB 4.5Å; E122-P159 WeakPolarHBondContact OE1-CA 3.48Å; E122-S160 PolarHBondContact OE1-N 2.9Å; E122-S160 WeakPolarHBondContact OE2-CB 3.31Å; E122-S160 PolarHBondContact OE2-OG 3.46Å; E122-A163 HydrophobicContact CB-CB 4.03Å; E122-A163 VanDerWaalsContact CD-CB 3.45Å; E122-A163 HydrophobicContact CG-CB 4.33Å; E122-A163 WeakPolarHBondContact OE1-CB 3.31Å
123	T	98.6	Very high	98	Very high	30 Å²	30	56.5 Å²	56.5	18%	0.184	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	153	-174.4	56.6	0	0	0	0	112.2	A114 V151 N167	A114-T123 CarbonylContact O-C 3.23Å; A114-T123 WeakPolarHBondContact O-CA 3.49Å; A114-T123 WeakPolarHBondContact O-CB 3.39Å; T123-V151 PolarHBondContact OG1-O 2.98Å; T123-N167 PolarHBondContact O-ND2 3.36Å
124	T	98.7	Very high	98.1	Very high	18 Å²	18	56.9 Å²	56.9	11%	0.11	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-179.3	154.1	-173.7	0	0	0	0	108.9	T113 A114 L116 E166	T113-T124 CarbonylContact C-O 3.52Å; T113-T124 WeakPolarHBondContact CA-O 3.41Å; A114-T124 PolarHBondContact N-O 3.46Å; A114-T124 PolarHBondContact O-N 3.21Å; L116-T124 HydrophobicContact CD2-CG2 3.87Å; L116-T124 HydrophobicContact CG-CG2 4.41Å; T124-E166 HydrophobicContact CG2-CG 4.25Å; T124-E166 WeakPolarHBondContact OG1-CG 3.31Å; T124-E166 PolarHBondContact OG1-OE1 3.43Å; T124-E166 VanDerWaalsContact OG1-OE1 3.1Å
125	T	98.7	Very high	98.2	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.018	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	138.1	177.1	-62.6	0	0	0	0	110.6	D110 G112 W148 R149 C150	D110-T125 HydrophobicContact CB-CG2 3.62Å; G112-T125 WeakPolarHBondContact O-CG2 3.23Å; T125-W148 HydrophobicContact CG2-CD2 4.38Å; T125-W148 VanDerWaalsContact CG2-CE2 3.47Å; T125-W148 HydrophobicContact CG2-CZ2 3.71Å; T125-W148 WeakPolarHBondContact O-CZ2 3.22Å; T125-R149 WeakPolarHBondContact CB-O 3.3Å; T125-R149 WeakPolarHBondContact CG2-O 3.04Å; T125-R149 PolarHBondContact OG1-O 2.86Å; T125-C150 WeakPolarHBondContact OG1-CA 3.49Å
126	Q	98.6	Very high	98.2	Very high	105 Å²	105	54.7 Å²	54.7	49%	0.491	34%	0.341	S	S	.	.			trans	-102.3	162.4	-179.3	52.5	172.7	25.1	0	0	112.4	K111 G112 W148	K111-Q126 HydrophobicContact CB-CG 4.15Å; K111-Q126 PolarHBondContact N-O 2.78Å; K111-Q126 PolarHBondContact O-NE2 3Å; G112-Q126 WeakPolarHBondContact O-CG 3.35Å; G112-Q126 PolarHBondContact O-N 2.92Å; Q126-W148 VanDerWaalsContact C-CH2 3.45Å; Q126-W148 WeakPolarHBondContact O-CH2 3.42Å; Q126-W148 WeakPolarHBondContact O-CZ2 3.49Å
127	G	98.6	Very high	98.2	Very high	8 Å²	8	57.5 Å²	57.5	8%	0.082	35%	0.353	C	S	.	.			trans	134.7	8.1	172.3	0	0	0	0	0	116.8	D129 W148	G127-D129 VanDerWaalsContact C-N 3.32Å; G127-W148 VanDerWaalsContact C-CH2 3.45Å; G127-W148 VanDerWaalsContact CA-CH2 3.49Å
128	L	98.8	Very high	98.3	Very high	44 Å²	44	50.4 Å²	50.4	23%	0.23	32%	0.315	C	S	.	.			trans	-70.6	-28.9	-179.9	-65.8	-176.5	0	0	0	112.5	G130 L131 W148 V170 R173 I177	L128-G130 PolarHBondContact O-N 3Å; L128-L131 HydrophobicContact CD2-CD2 3.9Å; L128-L131 WeakPolarHBondContact O-CB 3.29Å; L128-L131 PolarHBondContact O-N 3.18Å; L128-W148 HydrophobicContact CD2-CH2 3.78Å; L128-W148 HydrophobicContact CD2-CZ2 4.44Å; L128-W148 HydrophobicContact CD2-CZ3 4.04Å; L128-W148 HydrophobicContact CG-CH2 3.99Å; L128-V170 HydrophobicContact CD1-CG2 3.86Å; L128-V170 HydrophobicContact CD2-CG2 4.4Å; L128-V170 HydrophobicContact CG-CG2 4.06Å; L128-R173 HydrophobicContact CD1-CB 3.71Å; L128-R173 HydrophobicContact CD1-CG 4.25Å; L128-R173 HydrophobicContact CD2-CB 4.09Å; L128-I177 HydrophobicContact CD2-CD1 4.29Å
129	D	98.8	Very high	98.4	Very high	138 Å²	138	48.4 Å²	48.4	74%	0.738	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	121.2	179.6	-59.5	-16.2	0	0	0	111.1	G127 L131	G127-D129 VanDerWaalsContact C-N 3.32Å; D129-L131 PolarHBondContact O-N 2.96Å
130	G	98.6	Very high	98.4	Very high	39 Å²	39	55 Å²	55	40%	0.402	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	16.6	-175.9	0	0	0	0	0	114.2	L128 E133 R134	L128-G130 PolarHBondContact O-N 3Å; G130-E133 VanDerWaalsContact C-OE2 3.25Å; G130-E133 VanDerWaalsContact CA-OE2 3.24Å; G130-E133 WeakPolarHBondContact CA-OE2 3.36Å; G130-R134 WeakPolarHBondContact O-CB 3.26Å; G130-R134 VanDerWaalsContact O-CG 3.28Å; G130-R134 WeakPolarHBondContact O-CG 3.39Å; G130-R134 PolarHBondContact O-N 3.25Å; G130-R134 VanDerWaalsContact O-N 3.15Å
131	L	98.9	Very high	98.6	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-67	-35.9	-175.1	-179.9	62.9	0	0	0	112.2	V109 L128 D129 R134 C135 W148 Y174 I177	V109-L131 HydrophobicContact CB-CD1 3.75Å; V109-L131 HydrophobicContact CG1-CD1 4.45Å; V109-L131 HydrophobicContact CG2-CD1 3.85Å; L128-L131 HydrophobicContact CD2-CD2 3.9Å; L128-L131 WeakPolarHBondContact O-CB 3.29Å; L128-L131 PolarHBondContact O-N 3.18Å; D129-L131 PolarHBondContact O-N 2.96Å; L131-R134 PolarHBondContact O-N 3.33Å; L131-C135 WeakPolarHBondContact O-CB 3.42Å; L131-C135 PolarHBondContact O-N 3.35Å; L131-C135 PolarHBondContact O-SG 3.06Å; L131-W148 HydrophobicContact CD2-CZ3 4.09Å; L131-Y174 HydrophobicContact CD2-CD2 4.11Å; L131-I177 HydrophobicContact CB-CD1 4.45Å; L131-I177 HydrophobicContact CB-CG2 4.12Å; L131-I177 HydrophobicContact CD2-CB 4.11Å; L131-I177 HydrophobicContact CD2-CD1 4.08Å; L131-I177 HydrophobicContact CD2-CG2 3.97Å; L131-I177 HydrophobicContact CG-CB 4.46Å; L131-I177 HydrophobicContact CG-CG2 3.77Å
132	S	98.8	Very high	98.7	Very high	49 Å²	49	49.9 Å²	49.9	34%	0.343	27%	0.267	S	S	.	.	H	α-helix	trans	-63.3	-47.8	-179.6	-168.2	0	0	0	0	111.1	R134 C135 A136 N181	S132-R134 VanDerWaalsContact C-N 3.32Å; S132-R134 PolarHBondContact O-N 3.07Å; S132-C135 PolarHBondContact O-N 2.95Å; S132-C135 VanDerWaalsContact O-N 3.16Å; S132-A136 PolarHBondContact O-N 3.29Å; S132-N181 PolarHBondContact O-OD1 3.17Å; S132-N181 PolarHBondContact OG-ND2 3.06Å
133	E	98.8	Very high	98.7	Very high	129 Å²	129	49.4 Å²	49.4	60%	0.603	27%	0.265	S	S	*	.	H	α-helix	trans	-62	-42.4	178.6	-63	70.7	-155.7	0	0	110.8	G130 A136 Q137	G130-E133 VanDerWaalsContact C-OE2 3.25Å; G130-E133 VanDerWaalsContact CA-OE2 3.24Å; G130-E133 WeakPolarHBondContact CA-OE2 3.36Å; E133-A136 PolarHBondContact O-N 3.42Å; E133-Q137 WeakPolarHBondContact O-CB 3.36Å; E133-Q137 PolarHBondContact O-N 2.99Å
134	R	98.8	Very high	98.7	Very high	53 Å²	53	49.2 Å²	49.2	20%	0.2	26%	0.263	C	S	.	.	H	α-helix	trans	-62.9	-43.6	174	-73.1	172.9	61.8	-145.2	-0.9	112	V109 G130 L131 S132 Q137 Y138	V109-R134 PolarHBondContact O-NH1 3.11Å; V109-R134 PolarHBondContact O-NH2 3.12Å; G130-R134 WeakPolarHBondContact O-CB 3.26Å; G130-R134 VanDerWaalsContact O-CG 3.28Å; G130-R134 WeakPolarHBondContact O-CG 3.39Å; G130-R134 PolarHBondContact O-N 3.25Å; G130-R134 VanDerWaalsContact O-N 3.15Å; L131-R134 PolarHBondContact O-N 3.33Å; S132-R134 VanDerWaalsContact C-N 3.32Å; S132-R134 PolarHBondContact O-N 3.07Å; R134-Q137 PolarHBondContact O-N 2.88Å; R134-Y138 HydrophobicContact CB-CD2 4.36Å; R134-Y138 HydrophobicContact CB-CE2 3.98Å; R134-Y138 WeakPolarHBondContact O-CB 3.39Å; R134-Y138 WeakPolarHBondContact O-CD2 3.48Å; R134-Y138 VanDerWaalsContact O-CG 3.26Å; R134-Y138 PolarHBondContact O-N 2.91Å
135	C	98.9	Very high	98.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.5	-45.5	177.7	-76.2	0	0	0	0	111.6	L131 S132 Q137 Y138 K139 N181 L183	L131-C135 WeakPolarHBondContact O-CB 3.42Å; L131-C135 PolarHBondContact O-N 3.35Å; L131-C135 PolarHBondContact O-SG 3.06Å; S132-C135 PolarHBondContact O-N 2.95Å; S132-C135 VanDerWaalsContact O-N 3.16Å; C135-Q137 VanDerWaalsContact C-N 3.33Å; C135-Q137 PolarHBondContact O-N 3.41Å; C135-Y138 PolarHBondContact O-N 3.2Å; C135-K139 WeakPolarHBondContact O-CB 3.33Å; C135-K139 PolarHBondContact O-N 2.82Å; C135-N181 HydrophobicContact CB-CB 3.59Å; C135-L183 HydrophobicContact CB-CD1 3.73Å
136	A	98.8	Very high	98.8	Very high	46 Å²	46	48.2 Å²	48.2	38%	0.38	26%	0.256	S	S	.	.	H	α-helix	trans	-58.4	-44.7	174.7	0	0	0	0	0	111.8	S132 E133 K139 K140	S132-A136 PolarHBondContact O-N 3.29Å; E133-A136 PolarHBondContact O-N 3.42Å; A136-K139 PolarHBondContact O-N 3.27Å; A136-K140 PolarHBondContact O-N 3.24Å
137	Q	98.9	Very high	98.8	Very high	87 Å²	87	43.2 Å²	43.2	41%	0.407	23%	0.233	S	C	.	.	H	α-helix	trans	-64.2	-46.6	177	-174.8	56.4	52.1	0	0	111.7	E133 R134 C135 K139 K140 D141	E133-Q137 WeakPolarHBondContact O-CB 3.36Å; E133-Q137 PolarHBondContact O-N 2.99Å; R134-Q137 PolarHBondContact O-N 2.88Å; C135-Q137 VanDerWaalsContact C-N 3.33Å; C135-Q137 PolarHBondContact O-N 3.41Å; Q137-K139 VanDerWaalsContact C-N 3.31Å; Q137-K139 PolarHBondContact O-N 3.16Å; Q137-K140 WeakPolarHBondContact O-CB 3.23Å; Q137-K140 PolarHBondContact O-N 2.81Å; Q137-D141 PolarHBondContact NE2-OD1 3.16Å; Q137-D141 PolarHBondContact NE2-OD2 3.49Å; Q137-D141 WeakPolarHBondContact O-CB 3.47Å; Q137-D141 PolarHBondContact O-N 3.29Å
138	Y	98.9	Very high	98.8	Very high	9 Å²	9	42.9 Å²	42.9	4%	0.035	23%	0.229	C	C	.	.	H	α-helix	trans	-63.5	-35.9	176.9	-67	-42.8	0	0	0	112.7	H81 L84 Y85 I107 V109 R134 C135 D141 G142 C143	H81-Y138 AromaticContact ND1-CE1 3.59Å; H81-Y138 AromaticContact ND1-CZ 3.77Å; H81-Y138 PolarHBondContact ND1-OH 3.44Å; H81-Y138 VanDerWaalsContact ND1-OH 3.09Å; L84-Y138 HydrophobicContact CD2-CD1 3.46Å; L84-Y138 VanDerWaalsContact CD2-CD1 3.46Å; L84-Y138 HydrophobicContact CD2-CE1 3.85Å; L84-Y138 HydrophobicContact CD2-CG 4.49Å; Y85-Y138 HydrophobicContact CE2-CE1 4.47Å; I107-Y138 HydrophobicContact CD1-CE1 4.39Å; I107-Y138 HydrophobicContact CG1-CD1 4.09Å; I107-Y138 HydrophobicContact CG1-CD2 3.95Å; I107-Y138 HydrophobicContact CG1-CE1 4.05Å; I107-Y138 HydrophobicContact CG1-CE2 3.89Å; I107-Y138 HydrophobicContact CG1-CG 4.07Å; I107-Y138 HydrophobicContact CG2-CD2 3.84Å; I107-Y138 HydrophobicContact CG2-CG 3.97Å; V109-Y138 HydrophobicContact CG1-CD2 4.01Å; V109-Y138 HydrophobicContact CG1-CE2 3.91Å; R134-Y138 HydrophobicContact CB-CD2 4.36Å; R134-Y138 HydrophobicContact CB-CE2 3.98Å; R134-Y138 WeakPolarHBondContact O-CB 3.39Å; R134-Y138 WeakPolarHBondContact O-CD2 3.48Å; R134-Y138 VanDerWaalsContact O-CG 3.26Å; R134-Y138 PolarHBondContact O-N 2.91Å; C135-Y138 PolarHBondContact O-N 3.2Å; Y138-D141 CarbonylContact O-C 3.56Å; Y138-D141 PolarHBondContact O-N 3.21Å; Y138-G142 PolarHBondContact O-N 3.49Å; Y138-G142 VanDerWaalsContact O-N 3.08Å; Y138-C143 WeakPolarHBondContact O-CB 3.45Å; Y138-C143 PolarHBondContact O-N 3.06Å
139	K	98.8	Very high	98.8	Very high	48 Å²	48	41.1 Å²	41.1	21%	0.209	22%	0.22	C	C	.	.	H	α-helix	trans	-61.7	-45.9	173.7	-176.2	62.9	172.3	-170.9	0	110.9	E15 C135 A136 Q137 D141 G142 C143 D144 G182 L183	E15-K139 VanDerWaalsContact OE1-CE 3.24Å; E15-K139 WeakPolarHBondContact OE1-CE 3.44Å; E15-K139 IonicContact OE1-NZ 2.68Å; E15-K139 PolarHBondContact OE1-NZ 2.64Å; C135-K139 WeakPolarHBondContact O-CB 3.33Å; C135-K139 PolarHBondContact O-N 2.82Å; A136-K139 PolarHBondContact O-N 3.27Å; Q137-K139 VanDerWaalsContact C-N 3.31Å; Q137-K139 PolarHBondContact O-N 3.16Å; K139-D141 VanDerWaalsContact C-N 3.29Å; K139-D141 PolarHBondContact O-N 3.42Å; K139-G142 PolarHBondContact O-N 3.01Å; K139-G142 VanDerWaalsContact O-N 3.08Å; K139-C143 WeakPolarHBondContact CA-O 3.46Å; K139-C143 VanDerWaalsContact CD-O 3.23Å; K139-C143 WeakPolarHBondContact CD-O 3.27Å; K139-D144 IonicContact NZ-OD1 2.78Å; K139-D144 PolarHBondContact NZ-OD1 2.76Å; K139-G182 WeakPolarHBondContact CE-O 3.26Å; K139-G182 PolarHBondContact NZ-O 2.78Å; K139-L183 HydrophobicContact CB-CD2 4.2Å; K139-L183 HydrophobicContact CD-CD2 3.94Å
140	K	98.7	Very high	98.8	Very high	168 Å²	168	34.6 Å²	34.6	73%	0.73	19%	0.185	S	C	*	.	H	α-helix	trans	-60.3	-37.9	174.1	-176.2	-179.8	177.5	-177.9	0	112.4	A136 Q137 G142	A136-K140 PolarHBondContact O-N 3.24Å; Q137-K140 WeakPolarHBondContact O-CB 3.23Å; Q137-K140 PolarHBondContact O-N 2.81Å; K140-G142 PolarHBondContact O-N 3.12Å
141	D	98.6	Very high	98.8	Very high	52 Å²	52	33.3 Å²	33.3	28%	0.278	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	1.2	178.7	-61.2	-23.3	0	0	0	113.1	L84 Y85 Q137 Y138 K139	L84-D141 HydrophobicContact CD2-CB 4.5Å; Y85-D141 HydrophobicContact CE1-CB 4.35Å; Y85-D141 WeakPolarHBondContact CE1-OD2 3.38Å; Y85-D141 PolarHBondContact OH-OD2 2.81Å; Q137-D141 PolarHBondContact NE2-OD1 3.16Å; Q137-D141 PolarHBondContact NE2-OD2 3.49Å; Q137-D141 WeakPolarHBondContact O-CB 3.47Å; Q137-D141 PolarHBondContact O-N 3.29Å; Y138-D141 CarbonylContact O-C 3.56Å; Y138-D141 PolarHBondContact O-N 3.21Å; K139-D141 VanDerWaalsContact C-N 3.29Å; K139-D141 PolarHBondContact O-N 3.42Å
142	G	98.4	Very high	98.8	Very high	11 Å²	11	33.6 Å²	33.6	11%	0.113	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.4	10.5	167.8	0	0	0	0	0	115.8	K99 Y138 K139 K140	K99-G142 WeakPolarHBondContact CE-O 3.3Å; K99-G142 PolarHBondContact NZ-O 3.42Å; Y138-G142 PolarHBondContact O-N 3.49Å; Y138-G142 VanDerWaalsContact O-N 3.08Å; K139-G142 PolarHBondContact O-N 3.01Å; K139-G142 VanDerWaalsContact O-N 3.08Å; K140-G142 PolarHBondContact O-N 3.12Å
143	C	98.9	Very high	98.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.165	C	C	.	.			trans	-76.6	142.6	170.3	-61.2	0	0	0	0	111	L84 V105 I107 Y138 K139 L183	L84-C143 WeakPolarHBondContact CD1-SG 3.49Å; V105-C143 CarbonylContact O-C 3.58Å; V105-C143 WeakPolarHBondContact O-CA 3.34Å; I107-C143 HydrophobicContact CB-CB 4.48Å; I107-C143 HydrophobicContact CG2-CB 3.96Å; Y138-C143 WeakPolarHBondContact O-CB 3.45Å; Y138-C143 PolarHBondContact O-N 3.06Å; K139-C143 WeakPolarHBondContact CA-O 3.46Å; K139-C143 VanDerWaalsContact CD-O 3.23Å; K139-C143 WeakPolarHBondContact CD-O 3.27Å; C143-L183 HydrophobicContact CB-CD2 4.12Å; C143-L183 WeakPolarHBondContact O-CD2 3.24Å
144	D	98.9	Very high	98.7	Very high	26 Å²	26	28.2 Å²	28.2	14%	0.139	14%	0.139	C	C	.	.			trans	-119	-11.6	176.1	-72.6	-45.1	0	0	0	112.5	I19 V104 V105 K139 L183 V184	I19-D144 HydrophobicContact CD1-CB 4Å; I19-D144 HydrophobicContact CG1-CB 4.17Å; I19-D144 HydrophobicContact CG2-CB 3.88Å; V104-D144 HydrophobicContact CG1-CB 3.61Å; V105-D144 PolarHBondContact O-N 2.87Å; K139-D144 IonicContact NZ-OD1 2.78Å; K139-D144 PolarHBondContact NZ-OD1 2.76Å; D144-L183 WeakPolarHBondContact O-CA 3.25Å; D144-V184 PolarHBondContact O-N 3.13Å
145	F	98.9	Very high	98.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	162	175.2	74.5	-86.6	0	0	0	111.8	I23 V77 I78 V104 V105 G106 I107 V184 I186	I23-F145 HydrophobicContact CD1-CB 3.88Å; I23-F145 HydrophobicContact CD1-CD1 3.64Å; I23-F145 HydrophobicContact CD1-CD2 4.46Å; I23-F145 HydrophobicContact CD1-CE1 4.22Å; I23-F145 HydrophobicContact CD1-CG 3.76Å; I23-F145 HydrophobicContact CG1-CD1 4.37Å; V77-F145 WeakPolarHBondContact O-CZ 3.37Å; I78-F145 HydrophobicContact CD1-CE2 4.41Å; I78-F145 HydrophobicContact CG1-CE2 3.88Å; I78-F145 HydrophobicContact CG1-CZ 4.21Å; V104-F145 HydrophobicContact CB-CD1 4.31Å; V104-F145 HydrophobicContact CB-CE1 4.17Å; V104-F145 HydrophobicContact CG1-CD1 3.66Å; V104-F145 HydrophobicContact CG1-CE1 3.99Å; V105-F145 WeakPolarHBondContact O-CD1 3.43Å; G106-F145 CarbonylContact C-O 3.53Å; G106-F145 WeakPolarHBondContact CA-O 3.37Å; I107-F145 PolarHBondContact N-O 3.34Å; F145-V184 CarbonylContact C-O 3.58Å; F145-V184 WeakPolarHBondContact CA-O 3.43Å; F145-V184 HydrophobicContact CB-CB 3.87Å; F145-V184 HydrophobicContact CB-CG1 4.47Å; F145-V184 WeakPolarHBondContact CB-O 3.36Å; F145-I186 HydrophobicContact CD2-CD1 3.5Å; F145-I186 HydrophobicContact CD2-CG1 3.94Å; F145-I186 HydrophobicContact CE2-CD1 3.49Å; F145-I186 VanDerWaalsContact CE2-CD1 3.49Å; F145-I186 HydrophobicContact CE2-CG1 4.42Å
146	A	98.9	Very high	98	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	163.2	180	0	0	0	0	0	111	I107 V109 Y174 L183 V184 I186	I107-A146 HydrophobicContact CG2-CB 4.5Å; I107-A146 CarbonylContact O-C 3.58Å; I107-A146 VanDerWaalsContact O-CA 3.23Å; I107-A146 WeakPolarHBondContact O-CA 3.22Å; V109-A146 HydrophobicContact CG1-CB 4.15Å; V109-A146 HydrophobicContact CG2-CB 4.13Å; A146-Y174 HydrophobicContact CB-CE2 3.97Å; A146-Y174 PolarHBondContact O-OH 3.25Å; A146-L183 HydrophobicContact CB-CD1 4.45Å; A146-V184 PolarHBondContact N-O 3.48Å; A146-I186 VanDerWaalsContact O-CB 3.3Å; A146-I186 WeakPolarHBondContact O-CB 3.16Å; A146-I186 WeakPolarHBondContact O-CG1 3.37Å; A146-I186 PolarHBondContact O-N 3.32Å
147	K	98.9	Very high	97.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	136.7	173.6	-163.3	-142.8	80.3	168.7	0	110.6	D34 I78 I107 V109 Y174 I186 E188	D34-K147 WeakPolarHBondContact OD2-CD 3.48Å; D34-K147 WeakPolarHBondContact OD2-CE 3.46Å; D34-K147 IonicContact OD2-NZ 2.64Å; D34-K147 PolarHBondContact OD2-NZ 3.28Å; I78-K147 HydrophobicContact CD1-CB 4.15Å; I78-K147 HydrophobicContact CD1-CD 3.81Å; I78-K147 HydrophobicContact CD1-CG 3.94Å; I78-K147 HydrophobicContact CG2-CB 3.83Å; I78-K147 HydrophobicContact CG2-CD 4.33Å; I107-K147 PolarHBondContact O-N 2.87Å; V109-K147 PolarHBondContact N-O 3.46Å; K147-Y174 WeakPolarHBondContact CA-OH 3.34Å; K147-Y174 PolarHBondContact N-OH 3.17Å; K147-I186 HydrophobicContact CG-CB 4.36Å; K147-I186 HydrophobicContact CG-CG2 4.41Å; K147-E188 WeakPolarHBondContact CD-OE2 3.42Å; K147-E188 WeakPolarHBondContact CE-OE2 3.2Å; K147-E188 IonicContact NZ-OE2 2.67Å; K147-E188 PolarHBondContact NZ-OE2 2.88Å
148	W	98.9	Very high	97.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	122.1	172.7	-175.3	-68.7	0	0	0	110.4	V109 D110 T125 Q126 G127 L128 L131 V170 L171 Y174 I186 E188	V109-W148 HydrophobicContact CG2-CE3 4.07Å; D110-W148 HydrophobicContact CB-CB 4.39Å; D110-W148 HydrophobicContact CB-CD2 3.48Å; D110-W148 VanDerWaalsContact CB-CD2 3.48Å; D110-W148 HydrophobicContact CB-CE3 3.69Å; D110-W148 HydrophobicContact CB-CG 3.81Å; D110-W148 HydrophobicContact CB-CH2 4.47Å; D110-W148 HydrophobicContact CB-CZ2 4.3Å; D110-W148 HydrophobicContact CB-CZ3 4.18Å; T125-W148 HydrophobicContact CG2-CD2 4.38Å; T125-W148 VanDerWaalsContact CG2-CE2 3.47Å; T125-W148 HydrophobicContact CG2-CZ2 3.71Å; T125-W148 WeakPolarHBondContact O-CZ2 3.22Å; Q126-W148 VanDerWaalsContact C-CH2 3.45Å; Q126-W148 WeakPolarHBondContact O-CH2 3.42Å; Q126-W148 WeakPolarHBondContact O-CZ2 3.49Å; G127-W148 VanDerWaalsContact C-CH2 3.45Å; G127-W148 VanDerWaalsContact CA-CH2 3.49Å; L128-W148 HydrophobicContact CD2-CH2 3.78Å; L128-W148 HydrophobicContact CD2-CZ2 4.44Å; L128-W148 HydrophobicContact CD2-CZ3 4.04Å; L128-W148 HydrophobicContact CG-CH2 3.99Å; L131-W148 HydrophobicContact CD2-CZ3 4.09Å; W148-V170 HydrophobicContact CZ2-CG2 3.8Å; W148-L171 HydrophobicContact CB-CD2 4.42Å; W148-L171 HydrophobicContact CG-CD2 4.26Å; W148-Y174 HydrophobicContact CB-CD1 3.45Å; W148-Y174 VanDerWaalsContact CB-CD1 3.45Å; W148-Y174 HydrophobicContact CB-CD2 3.73Å; W148-Y174 HydrophobicContact CB-CE1 3.39Å; W148-Y174 HydrophobicContact CB-CE2 3.66Å; W148-Y174 HydrophobicContact CB-CG 3.61Å; W148-Y174 VanDerWaalsContact CB-CZ 3.48Å; W148-Y174 HydrophobicContact CD2-CD1 4.46Å; W148-Y174 HydrophobicContact CD2-CD2 4.05Å; W148-Y174 AromaticContact CD2-CG 3.87Å; W148-Y174 HydrophobicContact CD2-CG 3.87Å; W148-Y174 AromaticContact CE3-CD2 3.53Å; W148-Y174 HydrophobicContact CE3-CD2 3.53Å; W148-Y174 HydrophobicContact CE3-CE2 4.32Å; W148-Y174 AromaticContact CE3-CG 3.76Å; W148-Y174 HydrophobicContact CE3-CG 3.76Å; W148-Y174 AromaticContact CG-CD1 3.97Å; W148-Y174 HydrophobicContact CG-CD1 3.97Å; W148-Y174 HydrophobicContact CG-CD2 4.18Å; W148-Y174 HydrophobicContact CG-CE1 4.37Å; W148-Y174 AromaticContact CG-CG 3.85Å; W148-Y174 HydrophobicContact CG-CG 3.85Å; W148-Y174 HydrophobicContact CZ3-CD2 4.42Å; W148-Y174 PolarHBondContact N-OH 3.08Å; W148-I186 PolarHBondContact N-O 2.97Å; W148-E188 WeakPolarHBondContact O-CB 3.05Å; W148-E188 PolarHBondContact O-N 2.84Å
149	R	98.8	Very high	97.5	Very high	8 Å²	8	29 Å²	29	3%	0.03	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	124.1	-178.7	-178.7	-178.1	177.5	-111.3	8.9	112.3	D110 T125 V151 E188 E190 Y362	D110-R149 PolarHBondContact OD2-N 2.84Å; T125-R149 WeakPolarHBondContact CB-O 3.3Å; T125-R149 WeakPolarHBondContact CG2-O 3.04Å; T125-R149 PolarHBondContact OG1-O 2.86Å; R149-V151 HydrophobicContact CG-CG2 4.33Å; R149-E188 HydrophobicContact CB-CG 4.28Å; R149-E188 HydrophobicContact CG-CG 4.11Å; R149-E190 IonicContact CZ-OE2 2.65Å; R149-E190 IonicContact NE-OE2 2.85Å; R149-E190 PolarHBondContact NE-OE2 3.09Å; R149-E190 IonicContact NH2-OE1 3.72Å; R149-E190 IonicContact NH2-OE2 3.88Å; R149-E190 PolarHBondContact NH2-OE2 3.45Å; R149-Y362 PolarHBondContact NH2-O 3.27Å
150	C	98.8	Very high	97.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	155.2	161.8	-72.8	0	0	0	0	110.5	T125 N167 L171 E188 E190	T125-C150 WeakPolarHBondContact OG1-CA 3.49Å; C150-N167 HydrophobicContact CB-CB 3.95Å; C150-N167 WeakPolarHBondContact CB-OD1 3.48Å; C150-N167 PolarHBondContact SG-OD1 3.5Å; C150-L171 HydrophobicContact CB-CD1 4.08Å; C150-L171 HydrophobicContact CB-CD2 4.47Å; C150-L171 HydrophobicContact CB-CG 4.29Å; C150-L171 VanDerWaalsContact SG-CG 3.58Å; C150-E188 PolarHBondContact N-O 3.27Å; C150-E190 PolarHBondContact O-N 3.5Å
151	V	98.3	Very high	97.4	Very high	13 Å²	13	24.2 Å²	24.2	8%	0.079	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	127	-174.8	-169.5	0	0	0	0	110.2	T113 T123 R149 E190 L192	T113-V151 HydrophobicContact CG2-CB 4.22Å; T113-V151 HydrophobicContact CG2-CG2 3.61Å; T123-V151 PolarHBondContact OG1-O 2.98Å; R149-V151 HydrophobicContact CG-CG2 4.33Å; V151-E190 CarbonylContact C-O 3.49Å; V151-E190 WeakPolarHBondContact CA-O 3.26Å; V151-L192 HydrophobicContact CG1-CD1 3.62Å; V151-L192 HydrophobicContact CG1-CD2 4Å; V151-L192 HydrophobicContact CG1-CG 3.64Å
152	L	98.7	Very high	97.4	Very high	6 Å²	6	26.1 Å²	26.1	3%	0.031	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	153.1	173.8	-56.9	101.3	0	0	0	109.1	P159 I164 P189 E190 I191 L192 V209	L152-P159 HydrophobicContact CB-CB 4.29Å; L152-P159 HydrophobicContact CD2-CB 3.91Å; L152-P159 HydrophobicContact CD2-CG 4.44Å; L152-I164 HydrophobicContact CD2-CG1 4.13Å; L152-P189 HydrophobicContact CD1-CB 4.44Å; L152-E190 PolarHBondContact N-O 2.94Å; L152-I191 HydrophobicContact CB-CG1 4.18Å; L152-I191 HydrophobicContact CD1-CG1 4.44Å; L152-I191 WeakPolarHBondContact O-CA 3.42Å; L152-L192 PolarHBondContact O-N 3.47Å; L152-V209 HydrophobicContact CD1-CG1 4.11Å; L152-V209 HydrophobicContact CD2-CG1 4.37Å; L152-V209 HydrophobicContact CD2-CG2 3.89Å
153	K	97.3	Very high	97.5	Very high	53 Å²	53	25.6 Å²	25.6	23%	0.23	19%	0.188	C	C	.	.			trans	-122.8	150.7	178.6	73.1	177.7	-163.3	171.7	0	110.9	D120 C158 P159	D120-K153 WeakPolarHBondContact O-CE 3.5Å; D120-K153 PolarHBondContact O-NZ 3.45Å; D120-K153 IonicContact OD1-NZ 3.75Å; D120-K153 IonicContact OD2-NZ 2.69Å; D120-K153 PolarHBondContact OD2-NZ 3Å; K153-C158 HydrophobicContact CD-CB 4.37Å; K153-C158 WeakPolarHBondContact CE-SG 3.47Å; K153-C158 HydrophobicContact CG-CB 3.65Å; K153-C158 CarbonylContact O-C 3.56Å; K153-C158 VanDerWaalsContact O-C 3.25Å; K153-C158 WeakPolarHBondContact O-CB 3.33Å; K153-P159 VanDerWaalsContact O-CD 3.3Å; K153-P159 WeakPolarHBondContact O-CD 3.32Å; K153-P159 VanDerWaalsContact O-N 3.13Å
154	I	98.3	Very high	97.5	Very high	13 Å²	13	27.1 Å²	27.1	7%	0.067	20%	0.195	C	C	.	.			trans	-101.8	118.8	171.1	-61	178.6	0	0	0	108.3	I191 H197 R201 C202 V205	I154-I191 HydrophobicContact CD1-CG2 3.68Å; I154-I191 HydrophobicContact CG1-CG2 3.59Å; I154-H197 HydrophobicContact CG2-CB 3.92Å; I154-R201 HydrophobicContact CG2-CG 3.83Å; I154-C202 HydrophobicContact CD1-CB 4.19Å; I154-V205 HydrophobicContact CD1-CB 3.99Å; I154-V205 HydrophobicContact CD1-CG1 4.22Å; I154-V205 HydrophobicContact CD1-CG2 4.13Å; I154-V205 HydrophobicContact CG1-CB 4.23Å; I154-V205 HydrophobicContact CG1-CG1 4.04Å; I154-V205 HydrophobicContact CG1-CG2 4.13Å
155	S	94.5	Very high	97.5	Very high	41 Å²	41	28.7 Å²	28.7	29%	0.287	21%	0.212	S	C	.	.	S	Bend	trans	-149.8	-172.6	171.1	74	0	0	0	0	109.7	G157 C158	S155-G157 PolarHBondContact O-N 3.38Å; S155-G157 VanDerWaalsContact O-N 3.13Å; S155-C158 PolarHBondContact N-O 2.83Å; S155-C158 PolarHBondContact O-N 2.93Å; S155-C158 VanDerWaalsContact O-O 3.13Å; S155-C158 WeakPolarHBondContact OG-CB 3.49Å; S155-C158 PolarHBondContact OG-SG 3.32Å
156	G	88.1	Confident	97.5	Very high	89 Å²	89	31.7 Å²	31.7	92%	0.918	23%	0.226	S	C	*	.	S	Bend	trans	-53.6	-33.2	-178.3	0	0	0	0	0	114.6
157	G	90.9	Very high	97.5	Very high	60 Å²	60	31.9 Å²	31.9	62%	0.619	23%	0.227	S	C	*	.	S	Bend	trans	-118.9	-2	177.6	0	0	0	0	0	115.4	S155	S155-G157 PolarHBondContact O-N 3.38Å; S155-G157 VanDerWaalsContact O-N 3.13Å
158	C	96.9	Very high	97.5	Very high	3 Å²	3	32 Å²	32	2%	0.02	23%	0.228	C	C	.	.			trans	-113.4	150.8	-173.7	-61.4	0	0	0	0	112.2	E122 K153 S155 R201	E122-C158 HydrophobicContact CG-CB 4.5Å; K153-C158 HydrophobicContact CD-CB 4.37Å; K153-C158 WeakPolarHBondContact CE-SG 3.47Å; K153-C158 HydrophobicContact CG-CB 3.65Å; K153-C158 CarbonylContact O-C 3.56Å; K153-C158 VanDerWaalsContact O-C 3.25Å; K153-C158 WeakPolarHBondContact O-CB 3.33Å; S155-C158 PolarHBondContact N-O 2.83Å; S155-C158 PolarHBondContact O-N 2.93Å; S155-C158 VanDerWaalsContact O-O 3.13Å; S155-C158 WeakPolarHBondContact OG-CB 3.49Å; S155-C158 PolarHBondContact OG-SG 3.32Å; C158-R201 PolarHBondContact O-NH2 2.79Å
159	P	98.3	Very high	97.5	Very high	19 Å²	19	35.3 Å²	35.3	12%	0.123	25%	0.246	C	C	.	.	S	Bend	cis	-76.1	138.8	-2.7	29.3	-32.1	0	0	0	112.1	E122 L152 K153 I164 V205 V209	E122-P159 WeakPolarHBondContact OE1-CA 3.48Å; L152-P159 HydrophobicContact CB-CB 4.29Å; L152-P159 HydrophobicContact CD2-CB 3.91Å; L152-P159 HydrophobicContact CD2-CG 4.44Å; K153-P159 VanDerWaalsContact O-CD 3.3Å; K153-P159 WeakPolarHBondContact O-CD 3.32Å; K153-P159 VanDerWaalsContact O-N 3.13Å; P159-I164 HydrophobicContact CB-CD1 4.39Å; P159-I164 HydrophobicContact CB-CG1 3.98Å; P159-I164 HydrophobicContact CG-CD1 4.09Å; P159-I164 HydrophobicContact CG-CG1 4.11Å; P159-V205 VanDerWaalsContact CD-CG1 3.47Å; P159-V205 HydrophobicContact CG-CG1 3.48Å; P159-V205 VanDerWaalsContact CG-CG1 3.48Å; P159-V209 HydrophobicContact CG-CG2 4.31Å
160	S	98.5	Very high	97.5	Very high	29 Å²	29	35.2 Å²	35.2	20%	0.203	25%	0.246	C	C	.	.			trans	-73.3	163	177.9	73.5	0	0	0	0	111.7	E122 L162 A163 I164	E122-S160 PolarHBondContact OE1-N 2.9Å; E122-S160 WeakPolarHBondContact OE2-CB 3.31Å; E122-S160 PolarHBondContact OE2-OG 3.46Å; S160-L162 PolarHBondContact O-N 3.44Å; S160-L162 PolarHBondContact OG-N 2.83Å; S160-A163 PolarHBondContact O-N 3.35Å; S160-A163 PolarHBondContact OG-N 3.32Å; S160-A163 VanDerWaalsContact OG-N 3.15Å; S160-I164 WeakPolarHBondContact O-CG1 3.34Å; S160-I164 PolarHBondContact O-N 2.93Å
161	A	98.5	Very high	97.5	Very high	85 Å²	85	35.3 Å²	35.3	70%	0.702	25%	0.246	S	C	*	.	H	α-helix	trans	-58.2	-36.7	173.7	0	0	0	0	0	112.2	A165	A161-A165 VanDerWaalsContact O-CB 3.3Å; A161-A165 WeakPolarHBondContact O-CB 3.34Å; A161-A165 PolarHBondContact O-N 3.49Å
162	L	98.7	Very high	97.5	Very high	92 Å²	92	34.7 Å²	34.7	48%	0.482	24%	0.243	S	C	.	.	H	α-helix	trans	-63.4	-51	176.4	175.4	59.4	0	0	0	111	T119 S160 I164 A165 E166	T119-L162 HydrophobicContact CG2-CD2 3.85Å; S160-L162 PolarHBondContact O-N 3.44Å; S160-L162 PolarHBondContact OG-N 2.83Å; L162-I164 VanDerWaalsContact C-N 3.34Å; L162-I164 PolarHBondContact O-N 3.2Å; L162-A165 PolarHBondContact O-N 3.13Å; L162-E166 VanDerWaalsContact O-CB 3.27Å; L162-E166 WeakPolarHBondContact O-CB 3.12Å; L162-E166 PolarHBondContact O-N 2.8Å
163	A	98.8	Very high	97.5	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.008	26%	0.263	C	S	.	.	H	α-helix	trans	-62.6	-40.4	-179	0	0	0	0	0	112.3	L116 E122 S160 N167	L116-A163 HydrophobicContact CD1-CB 4.03Å; E122-A163 HydrophobicContact CB-CB 4.03Å; E122-A163 VanDerWaalsContact CD-CB 3.45Å; E122-A163 HydrophobicContact CG-CB 4.33Å; E122-A163 WeakPolarHBondContact OE1-CB 3.31Å; S160-A163 PolarHBondContact O-N 3.35Å; S160-A163 PolarHBondContact OG-N 3.32Å; S160-A163 VanDerWaalsContact OG-N 3.15Å; A163-N167 WeakPolarHBondContact O-CB 3.47Å; A163-N167 PolarHBondContact O-N 2.91Å; A163-N167 VanDerWaalsContact O-N 3.12Å; A163-N167 PolarHBondContact O-ND2 3.03Å
164	I	98.9	Very high	97.6	Very high	31 Å²	31	37.6 Å²	37.6	16%	0.159	25%	0.252	C	S	.	.	H	α-helix	trans	-62.5	-51.1	175.8	-64.1	173.6	0	0	0	110.7	L152 P159 S160 L162 A168 V209 A212	L152-I164 HydrophobicContact CD2-CG1 4.13Å; P159-I164 HydrophobicContact CB-CD1 4.39Å; P159-I164 HydrophobicContact CB-CG1 3.98Å; P159-I164 HydrophobicContact CG-CD1 4.09Å; P159-I164 HydrophobicContact CG-CG1 4.11Å; S160-I164 WeakPolarHBondContact O-CG1 3.34Å; S160-I164 PolarHBondContact O-N 2.93Å; L162-I164 VanDerWaalsContact C-N 3.34Å; L162-I164 PolarHBondContact O-N 3.2Å; I164-A168 VanDerWaalsContact O-CB 3.23Å; I164-A168 WeakPolarHBondContact O-CB 3.24Å; I164-A168 PolarHBondContact O-N 3.47Å; I164-V209 HydrophobicContact CD1-CG2 4.43Å; I164-V209 HydrophobicContact CG1-CG2 4.18Å; I164-A212 HydrophobicContact CG2-CB 3.36Å
165	A	98.8	Very high	97.6	Very high	59 Å²	59	37 Å²	37	49%	0.488	25%	0.249	S	C	.	.	H	α-helix	trans	-63.2	-45.8	-176	0	0	0	0	0	112	A161 L162 A168 N169	A161-A165 VanDerWaalsContact O-CB 3.3Å; A161-A165 WeakPolarHBondContact O-CB 3.34Å; A161-A165 PolarHBondContact O-N 3.49Å; L162-A165 PolarHBondContact O-N 3.13Å; A165-A168 PolarHBondContact O-N 3.42Å; A165-N169 VanDerWaalsContact O-CB 3.3Å; A165-N169 WeakPolarHBondContact O-CB 3.41Å; A165-N169 PolarHBondContact O-N 3.43Å
166	E	98.9	Very high	97.8	Very high	64 Å²	64	36.7 Å²	36.7	30%	0.299	25%	0.246	S	C	.	.	H	α-helix	trans	-66.9	-46.9	-177.3	174.4	54.1	-155.5	0	0	111.9	L116 T124 L162 A168 N169 V170	L116-E166 HydrophobicContact CD2-CG 4.04Å; T124-E166 HydrophobicContact CG2-CG 4.25Å; T124-E166 WeakPolarHBondContact OG1-CG 3.31Å; T124-E166 PolarHBondContact OG1-OE1 3.43Å; T124-E166 VanDerWaalsContact OG1-OE1 3.1Å; L162-E166 VanDerWaalsContact O-CB 3.27Å; L162-E166 WeakPolarHBondContact O-CB 3.12Å; L162-E166 PolarHBondContact O-N 2.8Å; E166-A168 PolarHBondContact O-N 3.04Å; E166-N169 PolarHBondContact O-N 2.95Å; E166-V170 PolarHBondContact O-N 3.31Å
167	N	98.9	Very high	98.4	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.016	21%	0.209	C	C	.	.	H	α-helix	trans	-67	-36.7	178.2	-75.5	-85.4	0	0	0	112.1	T123 C150 A163 V170 L171	T123-N167 PolarHBondContact O-ND2 3.36Å; C150-N167 HydrophobicContact CB-CB 3.95Å; C150-N167 WeakPolarHBondContact CB-OD1 3.48Å; C150-N167 PolarHBondContact SG-OD1 3.5Å; A163-N167 WeakPolarHBondContact O-CB 3.47Å; A163-N167 PolarHBondContact O-N 2.91Å; A163-N167 VanDerWaalsContact O-N 3.12Å; A163-N167 PolarHBondContact O-ND2 3.03Å; N167-V170 WeakPolarHBondContact O-CG1 3.41Å; N167-L171 WeakPolarHBondContact O-CB 3.3Å; N167-L171 WeakPolarHBondContact O-CD1 3.13Å; N167-L171 VanDerWaalsContact O-CG 3.23Å; N167-L171 WeakPolarHBondContact O-CG 3.34Å; N167-L171 PolarHBondContact O-N 2.98Å; N167-L171 VanDerWaalsContact O-N 3.12Å
168	A	98.9	Very high	98.7	Very high	4 Å²	4	30.9 Å²	30.9	3%	0.033	18%	0.18	C	C	.	.	H	α-helix	trans	-63.3	-44.3	173.9	0	0	0	0	0	111.5	I164 A165 E166 A172 A212 V213 A216	I164-A168 VanDerWaalsContact O-CB 3.23Å; I164-A168 WeakPolarHBondContact O-CB 3.24Å; I164-A168 PolarHBondContact O-N 3.47Å; A165-A168 PolarHBondContact O-N 3.42Å; E166-A168 PolarHBondContact O-N 3.04Å; A168-A172 PolarHBondContact O-N 3.22Å; A168-A172 VanDerWaalsContact O-N 3.1Å; A168-A212 HydrophobicContact CB-CB 4.2Å; A168-V213 HydrophobicContact CB-CG2 4.23Å; A168-A216 HydrophobicContact CB-CB 3.93Å; A168-A216 WeakPolarHBondContact O-CB 3.44Å
169	N	98.9	Very high	98.8	Very high	68 Å²	68	30.9 Å²	30.9	36%	0.364	18%	0.18	S	C	.	.	H	α-helix	trans	-65.4	-45.3	179.7	-176.2	65	0	0	0	112.3	A165 E166 L171 A172 R173 H220	A165-N169 VanDerWaalsContact O-CB 3.3Å; A165-N169 WeakPolarHBondContact O-CB 3.41Å; A165-N169 PolarHBondContact O-N 3.43Å; E166-N169 PolarHBondContact O-N 2.95Å; N169-L171 PolarHBondContact O-N 3.46Å; N169-A172 PolarHBondContact O-N 3.09Å; N169-R173 WeakPolarHBondContact O-CG 3.5Å; N169-R173 PolarHBondContact O-N 3.3Å; N169-H220 PolarHBondContact OD1-CE1 2.65Å; N169-H220 PolarHBondContact OD1-NE2 3.31Å
170	V	98.9	Very high	98.9	Very high	7 Å²	7	34.1 Å²	34.1	4%	0.042	19%	0.193	C	C	.	.	H	α-helix	trans	-67	-36.3	179.7	78.3	0	0	0	0	112.1	L128 W148 E166 N167 A172 R173 Y174	L128-V170 HydrophobicContact CD1-CG2 3.86Å; L128-V170 HydrophobicContact CD2-CG2 4.4Å; L128-V170 HydrophobicContact CG-CG2 4.06Å; W148-V170 HydrophobicContact CZ2-CG2 3.8Å; E166-V170 PolarHBondContact O-N 3.31Å; N167-V170 WeakPolarHBondContact O-CG1 3.41Å; V170-A172 VanDerWaalsContact C-N 3.32Å; V170-A172 PolarHBondContact O-N 3.03Å; V170-R173 PolarHBondContact O-N 3.01Å; V170-Y174 WeakPolarHBondContact O-CB 3.31Å; V170-Y174 PolarHBondContact O-N 2.94Å
171	L	98.9	Very high	98.9	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-62.4	-40	173	-77.2	169.1	0	0	0	111.8	W148 C150 N167 N169 Y174 A175 V187 P189 V213	W148-L171 HydrophobicContact CB-CD2 4.42Å; W148-L171 HydrophobicContact CG-CD2 4.26Å; C150-L171 HydrophobicContact CB-CD1 4.08Å; C150-L171 HydrophobicContact CB-CD2 4.47Å; C150-L171 HydrophobicContact CB-CG 4.29Å; C150-L171 VanDerWaalsContact SG-CG 3.58Å; N167-L171 WeakPolarHBondContact O-CB 3.3Å; N167-L171 WeakPolarHBondContact O-CD1 3.13Å; N167-L171 VanDerWaalsContact O-CG 3.23Å; N167-L171 WeakPolarHBondContact O-CG 3.34Å; N167-L171 PolarHBondContact O-N 2.98Å; N167-L171 VanDerWaalsContact O-N 3.12Å; N169-L171 PolarHBondContact O-N 3.46Å; L171-Y174 WeakPolarHBondContact O-CD1 3.45Å; L171-Y174 PolarHBondContact O-N 3.35Å; L171-A175 VanDerWaalsContact O-CB 3.3Å; L171-A175 WeakPolarHBondContact O-CB 3.33Å; L171-A175 PolarHBondContact O-N 3.03Å; L171-V187 HydrophobicContact CB-CG1 4.12Å; L171-V187 HydrophobicContact CD1-CG1 3.92Å; L171-V187 HydrophobicContact CD2-CG1 4.06Å; L171-V187 HydrophobicContact CG-CG1 4.25Å; L171-P189 HydrophobicContact CD1-CB 3.86Å; L171-V213 HydrophobicContact CD1-CG2 4.27Å
172	A	98.9	Very high	98.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-68.2	-41.4	177.9	0	0	0	0	0	112.6	A168 N169 V170 A175 S176 A216 L217 H220	A168-A172 PolarHBondContact O-N 3.22Å; A168-A172 VanDerWaalsContact O-N 3.1Å; N169-A172 PolarHBondContact O-N 3.09Å; V170-A172 VanDerWaalsContact C-N 3.32Å; V170-A172 PolarHBondContact O-N 3.03Å; A172-A175 PolarHBondContact O-N 2.62Å; A172-S176 WeakPolarHBondContact O-CB 3.37Å; A172-S176 PolarHBondContact O-N 3.03Å; A172-A216 HydrophobicContact CB-CB 3.91Å; A172-A216 WeakPolarHBondContact CB-O 3.48Å; A172-L217 HydrophobicContact CB-CD2 4.19Å; A172-H220 HydrophobicContact CB-CB 3.9Å
173	R	98.9	Very high	98.9	Very high	121 Å²	121	26.2 Å²	26.2	46%	0.457	14%	0.14	S	C	.	.	H	α-helix	trans	-58.9	-48.6	172.1	-71.3	-74.7	-65.9	169	-1.3	111.9	L128 N169 V170 S176 I177 H220	L128-R173 HydrophobicContact CD1-CB 3.71Å; L128-R173 HydrophobicContact CD1-CG 4.25Å; L128-R173 HydrophobicContact CD2-CB 4.09Å; N169-R173 WeakPolarHBondContact O-CG 3.5Å; N169-R173 PolarHBondContact O-N 3.3Å; V170-R173 PolarHBondContact O-N 3.01Å; R173-S176 PolarHBondContact O-N 3.34Å; R173-I177 WeakPolarHBondContact O-CG1 3.28Å; R173-I177 PolarHBondContact O-N 2.99Å; R173-I177 VanDerWaalsContact O-N 3.14Å; R173-H220 VanDerWaalsContact CD-CE1 3.42Å; R173-H220 WeakPolarHBondContact CD-CE1 3.41Å
174	Y	98.9	Very high	98.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-57.7	-49.5	175.6	146.4	-102.9	0	0	0	111.4	V109 L131 A146 K147 W148 V170 L171 S176 I177 C178 P185 I186	V109-Y174 HydrophobicContact CG2-CD2 3.79Å; V109-Y174 HydrophobicContact CG2-CE2 3.41Å; V109-Y174 VanDerWaalsContact CG2-CE2 3.41Å; L131-Y174 HydrophobicContact CD2-CD2 4.11Å; A146-Y174 HydrophobicContact CB-CE2 3.97Å; A146-Y174 PolarHBondContact O-OH 3.25Å; K147-Y174 WeakPolarHBondContact CA-OH 3.34Å; K147-Y174 PolarHBondContact N-OH 3.17Å; W148-Y174 HydrophobicContact CB-CD1 3.45Å; W148-Y174 VanDerWaalsContact CB-CD1 3.45Å; W148-Y174 HydrophobicContact CB-CD2 3.73Å; W148-Y174 HydrophobicContact CB-CE1 3.39Å; W148-Y174 HydrophobicContact CB-CE2 3.66Å; W148-Y174 HydrophobicContact CB-CG 3.61Å; W148-Y174 VanDerWaalsContact CB-CZ 3.48Å; W148-Y174 HydrophobicContact CD2-CD1 4.46Å; W148-Y174 HydrophobicContact CD2-CD2 4.05Å; W148-Y174 AromaticContact CD2-CG 3.87Å; W148-Y174 HydrophobicContact CD2-CG 3.87Å; W148-Y174 AromaticContact CE3-CD2 3.53Å; W148-Y174 HydrophobicContact CE3-CD2 3.53Å; W148-Y174 HydrophobicContact CE3-CE2 4.32Å; W148-Y174 AromaticContact CE3-CG 3.76Å; W148-Y174 HydrophobicContact CE3-CG 3.76Å; W148-Y174 AromaticContact CG-CD1 3.97Å; W148-Y174 HydrophobicContact CG-CD1 3.97Å; W148-Y174 HydrophobicContact CG-CD2 4.18Å; W148-Y174 HydrophobicContact CG-CE1 4.37Å; W148-Y174 AromaticContact CG-CG 3.85Å; W148-Y174 HydrophobicContact CG-CG 3.85Å; W148-Y174 HydrophobicContact CZ3-CD2 4.42Å; W148-Y174 PolarHBondContact N-OH 3.08Å; V170-Y174 WeakPolarHBondContact O-CB 3.31Å; V170-Y174 PolarHBondContact O-N 2.94Å; L171-Y174 WeakPolarHBondContact O-CD1 3.45Å; L171-Y174 PolarHBondContact O-N 3.35Å; Y174-S176 PolarHBondContact O-N 2.86Å; Y174-I177 PolarHBondContact O-N 3.4Å; Y174-C178 VanDerWaalsContact CD2-SG 3.58Å; Y174-C178 WeakPolarHBondContact CE2-SG 3.4Å; Y174-C178 PolarHBondContact O-N 3.34Å; Y174-C178 PolarHBondContact O-SG 3.21Å; Y174-P185 HydrophobicContact CD1-CB 4.4Å; Y174-P185 HydrophobicContact CE1-CB 3.6Å; Y174-P185 HydrophobicContact CE2-CB 4.46Å; Y174-P185 WeakPolarHBondContact OH-CA 3.45Å; Y174-I186 WeakPolarHBondContact CE1-O 3.42Å; Y174-I186 PolarHBondContact OH-N 3.41Å; Y174-I186 PolarHBondContact OH-O 3.4Å; Y174-I186 VanDerWaalsContact OH-O 3.05Å
175	A	98.9	Very high	98.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.2	-43.5	-177.2	0	0	0	0	0	112.1	L171 A172 C178 Q179 P185 V187 L217 V222	L171-A175 VanDerWaalsContact O-CB 3.3Å; L171-A175 WeakPolarHBondContact O-CB 3.33Å; L171-A175 PolarHBondContact O-N 3.03Å; A172-A175 PolarHBondContact O-N 2.62Å; A175-C178 PolarHBondContact O-N 2.91Å; A175-Q179 WeakPolarHBondContact O-CG 3.39Å; A175-Q179 PolarHBondContact O-N 3.24Å; A175-Q179 VanDerWaalsContact O-N 3.08Å; A175-P185 HydrophobicContact CB-CB 3.87Å; A175-P185 HydrophobicContact CB-CG 3.66Å; A175-V187 HydrophobicContact CB-CG2 4.36Å; A175-L217 HydrophobicContact CB-CD2 3.94Å; A175-V222 HydrophobicContact CB-CG1 4.06Å; A175-V222 HydrophobicContact CB-CG2 3.95Å
176	S	98.9	Very high	98.9	Very high	34 Å²	34	21.9 Å²	21.9	24%	0.238	11%	0.108	C	C	.	.	H	α-helix	trans	-58	-49.1	175.1	171.8	0	0	0	0	111.5	A172 R173 Y174 C178 Q179 Q180	A172-S176 WeakPolarHBondContact O-CB 3.37Å; A172-S176 PolarHBondContact O-N 3.03Å; R173-S176 PolarHBondContact O-N 3.34Å; Y174-S176 PolarHBondContact O-N 2.86Å; S176-C178 PolarHBondContact O-N 3.49Å; S176-Q179 PolarHBondContact O-N 3.37Å; S176-Q180 WeakPolarHBondContact O-CG 3.23Å; S176-Q180 PolarHBondContact O-N 2.96Å; S176-Q180 VanDerWaalsContact O-N 3.14Å
177	I	98.9	Very high	98.9	Very high	27 Å²	27	18.9 Å²	18.9	14%	0.138	10%	0.095	C	C	.	.	H	α-helix	trans	-62.4	-41.2	-179.7	-66.9	164.6	0	0	0	111.6	L128 L131 R173 Y174 Q180 N181	L128-I177 HydrophobicContact CD2-CD1 4.29Å; L131-I177 HydrophobicContact CB-CD1 4.45Å; L131-I177 HydrophobicContact CB-CG2 4.12Å; L131-I177 HydrophobicContact CD2-CB 4.11Å; L131-I177 HydrophobicContact CD2-CD1 4.08Å; L131-I177 HydrophobicContact CD2-CG2 3.97Å; L131-I177 HydrophobicContact CG-CB 4.46Å; L131-I177 HydrophobicContact CG-CG2 3.77Å; R173-I177 WeakPolarHBondContact O-CG1 3.28Å; R173-I177 PolarHBondContact O-N 2.99Å; R173-I177 VanDerWaalsContact O-N 3.14Å; Y174-I177 PolarHBondContact O-N 3.4Å; I177-Q180 PolarHBondContact O-N 2.99Å; I177-N181 PolarHBondContact O-N 3.13Å; I177-N181 PolarHBondContact O-ND2 3.21Å
178	C	98.9	Very high	98.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.1	-45.7	176.3	-73.9	0	0	0	0	112.3	Y174 A175 S176 Q180 N181 G182 L183 P185	Y174-C178 VanDerWaalsContact CD2-SG 3.58Å; Y174-C178 WeakPolarHBondContact CE2-SG 3.4Å; Y174-C178 PolarHBondContact O-N 3.34Å; Y174-C178 PolarHBondContact O-SG 3.21Å; A175-C178 PolarHBondContact O-N 2.91Å; S176-C178 PolarHBondContact O-N 3.49Å; C178-Q180 VanDerWaalsContact C-N 3.33Å; C178-Q180 PolarHBondContact O-N 2.87Å; C178-N181 CarbonylContact O-C 3.46Å; C178-N181 PolarHBondContact O-N 3.47Å; C178-G182 PolarHBondContact O-N 2.94Å; C178-L183 CarbonylContact C-O 3.22Å; C178-L183 VanDerWaalsContact C-O 3.22Å; C178-L183 HydrophobicContact CB-CB 4.09Å; C178-L183 WeakPolarHBondContact CB-O 3.28Å; C178-L183 PolarHBondContact O-N 3Å; C178-P185 HydrophobicContact CB-CB 3.98Å; C178-P185 HydrophobicContact CB-CG 4.37Å
179	Q	98.9	Very high	98.9	Very high	4 Å²	4	18.7 Å²	18.7	2%	0.019	9%	0.093	C	C	.	.	H	α-helix	trans	-64.6	-36.6	-178.5	-71	-170.4	-26.2	0	0	112.6	L8 L16 A175 S176 N181 G182 P185 Y223 G226	L8-Q179 HydrophobicContact CD1-CB 4.17Å; L8-Q179 HydrophobicContact CD2-CB 4.28Å; L16-Q179 HydrophobicContact CD1-CB 3.86Å; L16-Q179 HydrophobicContact CD1-CG 3.87Å; A175-Q179 WeakPolarHBondContact O-CG 3.39Å; A175-Q179 PolarHBondContact O-N 3.24Å; A175-Q179 VanDerWaalsContact O-N 3.08Å; S176-Q179 PolarHBondContact O-N 3.37Å; Q179-N181 PolarHBondContact O-N 3.05Å; Q179-G182 PolarHBondContact O-N 3.44Å; Q179-P185 HydrophobicContact CG-CG 4.14Å; Q179-Y223 PolarHBondContact NE2-O 3.23Å; Q179-G226 PolarHBondContact NE2-O 3.3Å; Q179-G226 VanDerWaalsContact NE2-O 3.15Å
180	Q	98.8	Very high	98.9	Very high	86 Å²	86	15.5 Å²	15.5	40%	0.402	8%	0.076	S	C	.	.	H	α-helix	trans	-60.4	-24.1	173.8	-69	-56.3	-55.5	0	0	113.3	A7 S176 I177 C178	A7-Q180 PolarHBondContact O-NE2 2.85Å; S176-Q180 WeakPolarHBondContact O-CG 3.23Å; S176-Q180 PolarHBondContact O-N 2.96Å; S176-Q180 VanDerWaalsContact O-N 3.14Å; I177-Q180 PolarHBondContact O-N 2.99Å; C178-Q180 VanDerWaalsContact C-N 3.33Å; C178-Q180 PolarHBondContact O-N 2.87Å
181	N	98.8	Very high	98.9	Very high	30 Å²	30	15.4 Å²	15.4	16%	0.16	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	16.6	-177.7	-69.4	-81.3	0	0	0	112.8	S132 C135 I177 C178 Q179 L183	S132-N181 PolarHBondContact O-OD1 3.17Å; S132-N181 PolarHBondContact OG-ND2 3.06Å; C135-N181 HydrophobicContact CB-CB 3.59Å; I177-N181 PolarHBondContact O-N 3.13Å; I177-N181 PolarHBondContact O-ND2 3.21Å; C178-N181 CarbonylContact O-C 3.46Å; C178-N181 PolarHBondContact O-N 3.47Å; Q179-N181 PolarHBondContact O-N 3.05Å; N181-L183 VanDerWaalsContact C-N 3.28Å; N181-L183 PolarHBondContact O-N 3.34Å
182	G	98.8	Very high	98.8	Very high	10 Å²	10	16.2 Å²	16.2	10%	0.103	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	23.6	176.6	0	0	0	0	0	114.4	K139 C178 Q179	K139-G182 WeakPolarHBondContact CE-O 3.26Å; K139-G182 PolarHBondContact NZ-O 2.78Å; C178-G182 PolarHBondContact O-N 2.94Å; Q179-G182 PolarHBondContact O-N 3.44Å
183	L	98.9	Very high	98.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.088	C	C	.	.			trans	-106.9	129.2	173.6	-63	-179.6	0	0	0	110.4	L16 C135 K139 C143 D144 A146 C178 N181 P185	L16-L183 VanDerWaalsContact CD2-C 3.49Å; C135-L183 HydrophobicContact CB-CD1 3.73Å; K139-L183 HydrophobicContact CB-CD2 4.2Å; K139-L183 HydrophobicContact CD-CD2 3.94Å; C143-L183 HydrophobicContact CB-CD2 4.12Å; C143-L183 WeakPolarHBondContact O-CD2 3.24Å; D144-L183 WeakPolarHBondContact O-CA 3.25Å; A146-L183 HydrophobicContact CB-CD1 4.45Å; C178-L183 CarbonylContact C-O 3.22Å; C178-L183 VanDerWaalsContact C-O 3.22Å; C178-L183 HydrophobicContact CB-CB 4.09Å; C178-L183 WeakPolarHBondContact CB-O 3.28Å; C178-L183 PolarHBondContact O-N 3Å; N181-L183 VanDerWaalsContact C-N 3.28Å; N181-L183 PolarHBondContact O-N 3.34Å; L183-P185 VanDerWaalsContact O-CD 3.27Å; L183-P185 WeakPolarHBondContact O-CD 3.48Å
184	V	98.9	Very high	98.7	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	118.5	170.2	171.6	0	0	0	0	109.5	L16 I19 A20 D144 F145 A146 L228	L16-V184 HydrophobicContact CB-CG2 4.26Å; L16-V184 HydrophobicContact CD2-CG2 3.91Å; L16-V184 WeakPolarHBondContact O-CG2 3.34Å; I19-V184 HydrophobicContact CB-CG2 3.65Å; I19-V184 HydrophobicContact CD1-CG2 4.45Å; I19-V184 HydrophobicContact CG2-CB 4.12Å; I19-V184 HydrophobicContact CG2-CG2 3.5Å; I19-V184 VanDerWaalsContact CG2-CG2 3.5Å; A20-V184 HydrophobicContact CB-CG1 4.02Å; A20-V184 HydrophobicContact CB-CG2 4.26Å; D144-V184 PolarHBondContact O-N 3.13Å; F145-V184 CarbonylContact C-O 3.58Å; F145-V184 WeakPolarHBondContact CA-O 3.43Å; F145-V184 HydrophobicContact CB-CB 3.87Å; F145-V184 HydrophobicContact CB-CG1 4.47Å; F145-V184 WeakPolarHBondContact CB-O 3.36Å; A146-V184 PolarHBondContact N-O 3.48Å; V184-L228 HydrophobicContact CG1-CG 4.38Å
185	P	98.9	Very high	98.5	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	124.2	175.7	31.1	-33	0	0	0	111.3	Y174 A175 C178 Q179 L183 G226 T227 L228	Y174-P185 HydrophobicContact CD1-CB 4.4Å; Y174-P185 HydrophobicContact CE1-CB 3.6Å; Y174-P185 HydrophobicContact CE2-CB 4.46Å; Y174-P185 WeakPolarHBondContact OH-CA 3.45Å; A175-P185 HydrophobicContact CB-CB 3.87Å; A175-P185 HydrophobicContact CB-CG 3.66Å; C178-P185 HydrophobicContact CB-CB 3.98Å; C178-P185 HydrophobicContact CB-CG 4.37Å; Q179-P185 HydrophobicContact CG-CG 4.14Å; L183-P185 VanDerWaalsContact O-CD 3.27Å; L183-P185 WeakPolarHBondContact O-CD 3.48Å; P185-G226 WeakPolarHBondContact CD-O 3.45Å; P185-T227 HydrophobicContact CG-CG2 3.99Å; P185-L228 PolarHBondContact O-N 3.14Å; P185-L228 VanDerWaalsContact O-N 3.11Å
186	I	98.9	Very high	98.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	117	159	-57.5	-177.8	0	0	0	107.8	I30 I78 F145 A146 K147 W148 Y174 L228 K230	I30-I186 HydrophobicContact CD1-CD1 3.61Å; I78-I186 HydrophobicContact CD1-CD1 4.2Å; F145-I186 HydrophobicContact CD2-CD1 3.5Å; F145-I186 HydrophobicContact CD2-CG1 3.94Å; F145-I186 HydrophobicContact CE2-CD1 3.49Å; F145-I186 VanDerWaalsContact CE2-CD1 3.49Å; F145-I186 HydrophobicContact CE2-CG1 4.42Å; A146-I186 VanDerWaalsContact O-CB 3.3Å; A146-I186 WeakPolarHBondContact O-CB 3.16Å; A146-I186 WeakPolarHBondContact O-CG1 3.37Å; A146-I186 PolarHBondContact O-N 3.32Å; K147-I186 HydrophobicContact CG-CB 4.36Å; K147-I186 HydrophobicContact CG-CG2 4.41Å; W148-I186 PolarHBondContact N-O 2.97Å; Y174-I186 WeakPolarHBondContact CE1-O 3.42Å; Y174-I186 PolarHBondContact OH-N 3.41Å; Y174-I186 PolarHBondContact OH-O 3.4Å; Y174-I186 VanDerWaalsContact OH-O 3.05Å; I186-L228 WeakPolarHBondContact CA-O 3.3Å; I186-L228 HydrophobicContact CG1-CB 4.14Å; I186-L228 HydrophobicContact CG1-CD1 4.3Å; I186-K230 HydrophobicContact CG2-CB 3.44Å; I186-K230 VanDerWaalsContact CG2-CB 3.44Å; I186-K230 HydrophobicContact CG2-CD 4.09Å; I186-K230 HydrophobicContact CG2-CG 4.41Å
187	V	98.9	Very high	98.5	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.012	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	110.5	179.2	179	0	0	0	0	108.3	L171 A175 P189 V213 L217 L228 L229 K230	L171-V187 HydrophobicContact CB-CG1 4.12Å; L171-V187 HydrophobicContact CD1-CG1 3.92Å; L171-V187 HydrophobicContact CD2-CG1 4.06Å; L171-V187 HydrophobicContact CG-CG1 4.25Å; A175-V187 HydrophobicContact CB-CG2 4.36Å; V187-P189 VanDerWaalsContact O-CD 3.23Å; V187-P189 WeakPolarHBondContact O-CD 3.47Å; V187-V213 HydrophobicContact CG1-CG1 3.87Å; V187-L217 HydrophobicContact CG2-CD2 4.26Å; V187-L228 PolarHBondContact N-O 2.98Å; V187-L229 HydrophobicContact CG1-CD1 4.45Å; V187-K230 PolarHBondContact O-N 3.28Å
188	E	98.9	Very high	98.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	85.8	-174.8	179.4	174.5	-151.7	0	0	111.6	K147 W148 R149 C150 E190 K230 L271	K147-E188 WeakPolarHBondContact CD-OE2 3.42Å; K147-E188 WeakPolarHBondContact CE-OE2 3.2Å; K147-E188 IonicContact NZ-OE2 2.67Å; K147-E188 PolarHBondContact NZ-OE2 2.88Å; W148-E188 WeakPolarHBondContact O-CB 3.05Å; W148-E188 PolarHBondContact O-N 2.84Å; R149-E188 HydrophobicContact CB-CG 4.28Å; R149-E188 HydrophobicContact CG-CG 4.11Å; C150-E188 PolarHBondContact N-O 3.27Å; E188-E190 PolarHBondContact O-N 3.44Å; E188-K230 WeakPolarHBondContact CA-O 3.38Å; E188-K230 HydrophobicContact CB-CB 3.99Å; E188-K230 HydrophobicContact CB-CD 4.31Å; E188-K230 HydrophobicContact CB-CG 4.17Å; E188-K230 HydrophobicContact CG-CB 4.24Å; E188-K230 HydrophobicContact CG-CD 4.05Å; E188-K230 HydrophobicContact CG-CG 3.88Å; E188-K230 WeakPolarHBondContact OE1-CD 3.3Å; E188-K230 WeakPolarHBondContact OE1-CE 3.39Å; E188-K230 IonicContact OE1-NZ 2.76Å; E188-K230 PolarHBondContact OE1-NZ 3.37Å; E188-K230 IonicContact OE2-NZ 3.93Å; E188-K230 PolarHBondContact OE2-NZ 2.96Å; E188-L271 HydrophobicContact CG-CD2 4.2Å
189	P	98.8	Very high	98.4	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.013	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	76.2	171.1	35	-31.9	0	0	0	110	L152 L171 V187 I191 V209 L210 V213 L229	L152-P189 HydrophobicContact CD1-CB 4.44Å; L171-P189 HydrophobicContact CD1-CB 3.86Å; V187-P189 VanDerWaalsContact O-CD 3.23Å; V187-P189 WeakPolarHBondContact O-CD 3.47Å; P189-I191 PolarHBondContact O-N 3.03Å; P189-V209 HydrophobicContact CB-CG1 4.08Å; P189-L210 HydrophobicContact CG-CD2 3.93Å; P189-V213 HydrophobicContact CB-CG2 4.03Å; P189-V213 HydrophobicContact CG-CG2 4.21Å; P189-L229 HydrophobicContact CG-CD1 4.23Å
190	E	98.7	Very high	98.4	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.009	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	120.4	-177.5	-178.9	174.5	-172.8	0	0	111.1	R149 C150 V151 L152 E188 L192 L271	R149-E190 IonicContact CZ-OE2 2.65Å; R149-E190 IonicContact NE-OE2 2.85Å; R149-E190 PolarHBondContact NE-OE2 3.09Å; R149-E190 IonicContact NH2-OE1 3.72Å; R149-E190 IonicContact NH2-OE2 3.88Å; R149-E190 PolarHBondContact NH2-OE2 3.45Å; C150-E190 PolarHBondContact O-N 3.5Å; V151-E190 CarbonylContact C-O 3.49Å; V151-E190 WeakPolarHBondContact CA-O 3.26Å; L152-E190 PolarHBondContact N-O 2.94Å; E188-E190 PolarHBondContact O-N 3.44Å; E190-L192 HydrophobicContact CG-CD2 4.35Å; E190-L271 HydrophobicContact CB-CD2 3.64Å; E190-L271 HydrophobicContact CG-CD1 4.09Å; E190-L271 HydrophobicContact CG-CD2 3.59Å
191	I	98.7	Very high	98.4	Very high	5 Å²	5	25.9 Å²	25.9	3%	0.026	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	119	164.4	-57.4	155.8	0	0	0	107.8	L152 I154 P189 V205 T206 V209 N232	L152-I191 HydrophobicContact CB-CG1 4.18Å; L152-I191 HydrophobicContact CD1-CG1 4.44Å; L152-I191 WeakPolarHBondContact O-CA 3.42Å; I154-I191 HydrophobicContact CD1-CG2 3.68Å; I154-I191 HydrophobicContact CG1-CG2 3.59Å; P189-I191 PolarHBondContact O-N 3.03Å; I191-V205 HydrophobicContact CD1-CG1 4.05Å; I191-V205 HydrophobicContact CG2-CG1 4.28Å; I191-T206 HydrophobicContact CD1-CG2 4.21Å; I191-T206 WeakPolarHBondContact CD1-OG1 3.43Å; I191-V209 HydrophobicContact CD1-CB 4.04Å; I191-V209 HydrophobicContact CD1-CG1 4.36Å; I191-V209 HydrophobicContact CD1-CG2 3.94Å; I191-V209 HydrophobicContact CG1-CG2 4.28Å; I191-N232 WeakPolarHBondContact CB-OD1 3.3Å; I191-N232 PolarHBondContact N-OD1 3.36Å
192	L	97.9	Very high	98.4	Very high	18 Å²	18	24.6 Å²	24.6	9%	0.094	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-66.4	143	-176.5	-67.1	178.2	0	0	0	111.7	V151 L152 E190 D194	V151-L192 HydrophobicContact CG1-CD1 3.62Å; V151-L192 HydrophobicContact CG1-CD2 4Å; V151-L192 HydrophobicContact CG1-CG 3.64Å; L152-L192 PolarHBondContact O-N 3.47Å; E190-L192 HydrophobicContact CG-CD2 4.35Å; L192-D194 PolarHBondContact O-N 3.44Å
193	P	96.8	Very high	98.4	Very high	26 Å²	26	25.8 Å²	25.8	17%	0.169	14%	0.135	C	C	.	.			trans	-79.4	1	175.8	35	-36.1	0	0	0	112.7	G237 H238 Y358	P193-G237 CarbonylContact O-C 3.09Å; P193-G237 WeakPolarHBondContact O-CA 3.29Å; P193-H238 PolarHBondContact O-N 3.06Å; P193-Y358 HydrophobicContact CG-CD2 4.33Å; P193-Y358 HydrophobicContact CG-CE2 4.19Å
194	D	97.5	Very high	98.4	Very high	27 Å²	27	31.5 Å²	31.5	14%	0.144	16%	0.157	C	C	.	.			trans	-58.1	138.2	178.9	-63.5	-121	0	0	0	111.8	L192 H197 Y358 A360 S361	L192-D194 PolarHBondContact O-N 3.44Å; D194-H197 PolarHBondContact O-CE1 2.77Å; D194-H197 PolarHBondContact O-ND1 3.35Å; D194-Y358 VanDerWaalsContact CG-OH 3.22Å; D194-Y358 PolarHBondContact OD1-OH 3.2Å; D194-A360 WeakPolarHBondContact OD1-CA 3.5Å; D194-S361 PolarHBondContact OD1-N 3.37Å
195	G	96.4	Very high	98.4	Very high	28 Å²	28	31.6 Å²	31.6	29%	0.289	16%	0.158	S	C	.	.	S	Bend	trans	109.9	-177.9	178.7	0	0	0	0	0	114.4	G237 H238 S239	G195-G237 CarbonylContact O-C 3.58Å; G195-G237 VanDerWaalsContact O-C 3.23Å; G195-G237 WeakPolarHBondContact O-CA 3.35Å; G195-H238 PolarHBondContact O-N 3.46Å; G195-S239 WeakPolarHBondContact O-CB 3.14Å; G195-S239 PolarHBondContact O-N 2.95Å
196	D	97.6	Very high	98.4	Very high	126 Å²	126	31.8 Å²	31.8	67%	0.674	16%	0.159	S	C	*	.	S	Bend	trans	-105.2	4.5	-174.7	63.7	-15.2	0	0	0	113.8
197	H	98.4	Very high	98.4	Very high	19 Å²	19	33.6 Å²	33.6	9%	0.088	17%	0.167	C	C	.	.			trans	-57.9	147.5	-178.6	60.8	-95.5	0	0	0	112.4	I154 D194 R201 G237 C240	I154-H197 HydrophobicContact CG2-CB 3.92Å; D194-H197 PolarHBondContact O-CE1 2.77Å; D194-H197 PolarHBondContact O-ND1 3.35Å; H197-R201 HydrophobicContact CB-CB 4.09Å; H197-R201 HydrophobicContact CB-CG 3.84Å; H197-G237 PolarHBondContact CD2-N 3.26Å; H197-G237 VanDerWaalsContact CE1-CA 3.49Å; H197-G237 WeakPolarHBondContact CE1-CA 3.35Å; H197-G237 WeakPolarHBondContact NE2-CA 3.12Å; H197-G237 PolarHBondContact NE2-N 2.64Å; H197-G237 PolarHBondContact O-N 3.13Å; H197-C240 WeakPolarHBondContact O-CB 3.21Å
198	D	98.4	Very high	98.4	Very high	64 Å²	64	38.7 Å²	38.7	34%	0.342	19%	0.19	S	C	.	.			trans	-81.6	175.2	178.6	70	7.6	0	0	0	113	Q200 R201 C202	D198-Q200 VanDerWaalsContact C-N 3.27Å; D198-Q200 PolarHBondContact O-N 2.69Å; D198-Q200 PolarHBondContact OD1-N 3.1Å; D198-Q200 PolarHBondContact OD2-OE1 3.31Å; D198-R201 PolarHBondContact O-N 2.91Å; D198-R201 VanDerWaalsContact OD1-CB 3.29Å; D198-R201 WeakPolarHBondContact OD1-CB 3.39Å; D198-R201 PolarHBondContact OD1-N 3.4Å; D198-C202 PolarHBondContact O-N 2.9Å
199	L	98.7	Very high	98.4	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.031	19%	0.19	C	C	.	.	H	α-helix	trans	-59.7	-39.5	179.6	-174.7	70.2	0	0	0	111.7	C202 Q203 V234 Y244 D248 V249 A252	L199-C202 PolarHBondContact O-N 2.64Å; L199-Q203 WeakPolarHBondContact O-CB 3.36Å; L199-Q203 PolarHBondContact O-N 3.1Å; L199-V234 HydrophobicContact CD1-CG1 3.99Å; L199-V234 WeakPolarHBondContact CD1-O 3.36Å; L199-V234 HydrophobicContact CG-CG1 4.49Å; L199-Y244 HydrophobicContact CB-CD1 3.96Å; L199-Y244 HydrophobicContact CB-CD2 4.09Å; L199-Y244 HydrophobicContact CB-CE1 3.61Å; L199-Y244 HydrophobicContact CB-CE2 3.76Å; L199-Y244 HydrophobicContact CB-CG 4.17Å; L199-Y244 VanDerWaalsContact CB-CZ 3.48Å; L199-Y244 HydrophobicContact CD2-CD1 3.56Å; L199-Y244 HydrophobicContact CD2-CE1 3.82Å; L199-Y244 HydrophobicContact CD2-CG 4.09Å; L199-Y244 HydrophobicContact CG-CD1 4.35Å; L199-Y244 HydrophobicContact CG-CE1 4.36Å; L199-D248 HydrophobicContact CD2-CB 3.99Å; L199-V249 HydrophobicContact CD1-CG2 4.47Å; L199-A252 HydrophobicContact CD1-CB 4.23Å; L199-A252 HydrophobicContact CD2-CB 3.99Å; L199-A252 HydrophobicContact CG-CB 4.05Å
200	Q	98.6	Very high	98.4	Very high	89 Å²	89	38.9 Å²	38.9	42%	0.416	19%	0.19	S	C	.	.	H	α-helix	trans	-65.8	-40.4	-178.1	-70.1	70.1	26.8	0	0	111.3	D198 Q203 Y204 Y244	D198-Q200 VanDerWaalsContact C-N 3.27Å; D198-Q200 PolarHBondContact O-N 2.69Å; D198-Q200 PolarHBondContact OD1-N 3.1Å; D198-Q200 PolarHBondContact OD2-OE1 3.31Å; Q200-Q203 WeakPolarHBondContact O-CB 3.48Å; Q200-Q203 PolarHBondContact O-N 3.37Å; Q200-Y204 WeakPolarHBondContact O-CB 3.24Å; Q200-Y204 PolarHBondContact O-N 3.42Å; Q200-Y244 PolarHBondContact OE1-OH 3.42Å; Q200-Y244 VanDerWaalsContact OE1-OH 3.06Å
201	R	98.6	Very high	98.4	Very high	89 Å²	89	41.2 Å²	41.2	34%	0.336	21%	0.21	S	C	.	.	H	α-helix	trans	-63.6	-44.7	174.8	178.3	58	178.6	173.2	0.8	111.5	I154 C158 H197 D198 Q203 Y204 V205	I154-R201 HydrophobicContact CG2-CG 3.83Å; C158-R201 PolarHBondContact O-NH2 2.79Å; H197-R201 HydrophobicContact CB-CB 4.09Å; H197-R201 HydrophobicContact CB-CG 3.84Å; D198-R201 PolarHBondContact O-N 2.91Å; D198-R201 VanDerWaalsContact OD1-CB 3.29Å; D198-R201 WeakPolarHBondContact OD1-CB 3.39Å; D198-R201 PolarHBondContact OD1-N 3.4Å; R201-Q203 VanDerWaalsContact C-N 3.29Å; R201-Q203 PolarHBondContact O-N 2.99Å; R201-Y204 PolarHBondContact O-N 2.86Å; R201-V205 WeakPolarHBondContact O-CG2 3.43Å; R201-V205 PolarHBondContact O-N 3.39Å
202	C	98.8	Very high	98.4	Very high	4 Å²	4	42.3 Å²	42.3	3%	0.027	22%	0.22	C	C	.	.	H	α-helix	trans	-60.8	-41.5	174.6	-176.6	0	0	0	0	111.5	I154 D198 L199 V205 T206 V234 T235	I154-C202 HydrophobicContact CD1-CB 4.19Å; D198-C202 PolarHBondContact O-N 2.9Å; L199-C202 PolarHBondContact O-N 2.64Å; C202-V205 PolarHBondContact O-N 3.38Å; C202-T206 VanDerWaalsContact O-CB 3.3Å; C202-T206 WeakPolarHBondContact O-CB 3.11Å; C202-T206 PolarHBondContact O-N 2.88Å; C202-T206 PolarHBondContact O-OG1 3.45Å; C202-V234 HydrophobicContact CB-CG1 4.23Å; C202-T235 WeakPolarHBondContact CB-O 3.44Å; C202-T235 PolarHBondContact SG-O 2.86Å
203	Q	98.9	Very high	98.5	Very high	34 Å²	34	41.6 Å²	41.6	16%	0.159	22%	0.216	C	C	.	.	H	α-helix	trans	-59.3	-51.4	176.4	-162.2	-174	-31.4	0	0	111.3	L199 Q200 R201 V205 T206 E207 V234 A252 T256	L199-Q203 WeakPolarHBondContact O-CB 3.36Å; L199-Q203 PolarHBondContact O-N 3.1Å; Q200-Q203 WeakPolarHBondContact O-CB 3.48Å; Q200-Q203 PolarHBondContact O-N 3.37Å; R201-Q203 VanDerWaalsContact C-N 3.29Å; R201-Q203 PolarHBondContact O-N 2.99Å; Q203-V205 PolarHBondContact O-N 2.77Å; Q203-T206 PolarHBondContact O-N 3.5Å; Q203-E207 PolarHBondContact NE2-OE1 2.93Å; Q203-E207 VanDerWaalsContact NE2-OE1 3.09Å; Q203-E207 WeakPolarHBondContact O-CG 3.35Å; Q203-E207 PolarHBondContact O-N 3.33Å; Q203-V234 HydrophobicContact CB-CG1 3.7Å; Q203-V234 HydrophobicContact CG-CG1 4.14Å; Q203-A252 HydrophobicContact CG-CB 4.47Å; Q203-T256 WeakPolarHBondContact CG-OG1 3.22Å
204	Y	98.8	Very high	98.6	Very high	120 Å²	120	41.1 Å²	41.1	47%	0.471	21%	0.211	S	C	.	.	H	α-helix	trans	-56.8	-49.6	178.9	173.7	-92.9	0	0	0	112	Q200 R201 E207 K208	Q200-Y204 WeakPolarHBondContact O-CB 3.24Å; Q200-Y204 PolarHBondContact O-N 3.42Å; R201-Y204 PolarHBondContact O-N 2.86Å; Y204-E207 PolarHBondContact O-N 3.29Å; Y204-K208 HydrophobicContact CD1-CG 4.49Å; Y204-K208 HydrophobicContact CE1-CG 4.04Å; Y204-K208 HydrophobicContact CE2-CG 4.4Å; Y204-K208 WeakPolarHBondContact O-CG 3.33Å; Y204-K208 PolarHBondContact O-N 2.91Å; Y204-K208 VanDerWaalsContact O-N 3.12Å; Y204-K208 WeakPolarHBondContact OH-CE 3.4Å
205	V	98.9	Very high	98.6	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.018	23%	0.228	C	C	.	.	H	α-helix	trans	-64.6	-43.5	-179.2	173.6	0	0	0	0	110.7	I154 P159 I191 R201 C202 Q203 E207 K208 V209	I154-V205 HydrophobicContact CD1-CB 3.99Å; I154-V205 HydrophobicContact CD1-CG1 4.22Å; I154-V205 HydrophobicContact CD1-CG2 4.13Å; I154-V205 HydrophobicContact CG1-CB 4.23Å; I154-V205 HydrophobicContact CG1-CG1 4.04Å; I154-V205 HydrophobicContact CG1-CG2 4.13Å; P159-V205 VanDerWaalsContact CD-CG1 3.47Å; P159-V205 HydrophobicContact CG-CG1 3.48Å; P159-V205 VanDerWaalsContact CG-CG1 3.48Å; I191-V205 HydrophobicContact CD1-CG1 4.05Å; I191-V205 HydrophobicContact CG2-CG1 4.28Å; R201-V205 WeakPolarHBondContact O-CG2 3.43Å; R201-V205 PolarHBondContact O-N 3.39Å; C202-V205 PolarHBondContact O-N 3.38Å; Q203-V205 PolarHBondContact O-N 2.77Å; V205-E207 VanDerWaalsContact C-N 3.31Å; V205-E207 PolarHBondContact O-N 2.89Å; V205-K208 PolarHBondContact O-N 3.03Å; V205-K208 VanDerWaalsContact O-N 3.16Å; V205-V209 HydrophobicContact CG1-CG2 4.14Å; V205-V209 WeakPolarHBondContact O-CG2 3.48Å; V205-V209 PolarHBondContact O-N 3.21Å
206	T	98.9	Very high	98.8	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.018	22%	0.218	C	C	.	.	H	α-helix	trans	-61.4	-40.3	178.1	-53.1	0	0	0	0	111.3	I191 C202 Q203 K208 V209 L210 N232 V234 T256	I191-T206 HydrophobicContact CD1-CG2 4.21Å; I191-T206 WeakPolarHBondContact CD1-OG1 3.43Å; C202-T206 VanDerWaalsContact O-CB 3.3Å; C202-T206 WeakPolarHBondContact O-CB 3.11Å; C202-T206 PolarHBondContact O-N 2.88Å; C202-T206 PolarHBondContact O-OG1 3.45Å; Q203-T206 PolarHBondContact O-N 3.5Å; T206-K208 PolarHBondContact O-N 3.11Å; T206-V209 PolarHBondContact O-N 3.12Å; T206-L210 HydrophobicContact CG2-CD1 3.88Å; T206-L210 HydrophobicContact CG2-CG 4.16Å; T206-L210 WeakPolarHBondContact O-CB 3.39Å; T206-L210 WeakPolarHBondContact O-CG 3.4Å; T206-L210 PolarHBondContact O-N 3.28Å; T206-N232 PolarHBondContact OG1-ND2 3.18Å; T206-V234 HydrophobicContact CG2-CG2 4.25Å; T206-T256 HydrophobicContact CG2-CG2 3.55Å
207	E	98.9	Very high	98.8	Very high	38 Å²	38	38.5 Å²	38.5	18%	0.178	19%	0.187	C	C	.	.	H	α-helix	trans	-60.9	-43.9	174.5	-73.7	179.2	-162.7	0	0	112.3	Q203 Y204 V205 A211 T256 R259 T260	Q203-E207 PolarHBondContact NE2-OE1 2.93Å; Q203-E207 VanDerWaalsContact NE2-OE1 3.09Å; Q203-E207 WeakPolarHBondContact O-CG 3.35Å; Q203-E207 PolarHBondContact O-N 3.33Å; Y204-E207 PolarHBondContact O-N 3.29Å; V205-E207 VanDerWaalsContact C-N 3.31Å; V205-E207 PolarHBondContact O-N 2.89Å; E207-A211 VanDerWaalsContact O-CB 3.29Å; E207-A211 WeakPolarHBondContact O-CB 3.11Å; E207-A211 PolarHBondContact O-N 3.03Å; E207-T256 HydrophobicContact CG-CG2 3.71Å; E207-R259 WeakPolarHBondContact OE1-CD 3.37Å; E207-R259 IonicContact OE1-CZ 3.12Å; E207-R259 IonicContact OE1-NE 3.35Å; E207-R259 IonicContact OE1-NH1 2.62Å; E207-R259 PolarHBondContact OE1-NH1 3.32Å; E207-R259 IonicContact OE2-NH1 3.47Å; E207-R259 PolarHBondContact OE2-NH1 2.9Å; E207-T260 HydrophobicContact CB-CG2 4.19Å; E207-T260 HydrophobicContact CG-CG2 4.37Å; E207-T260 WeakPolarHBondContact O-CG2 3.22Å
208	K	98.9	Very high	98.8	Very high	110 Å²	110	43 Å²	43	48%	0.478	21%	0.211	S	C	.	.	H	α-helix	trans	-66.8	-43.1	178.9	-64.9	-58	179.2	-175.8	0	112.7	Y204 V205 T206 A212	Y204-K208 HydrophobicContact CD1-CG 4.49Å; Y204-K208 HydrophobicContact CE1-CG 4.04Å; Y204-K208 HydrophobicContact CE2-CG 4.4Å; Y204-K208 WeakPolarHBondContact O-CG 3.33Å; Y204-K208 PolarHBondContact O-N 2.91Å; Y204-K208 VanDerWaalsContact O-N 3.12Å; Y204-K208 WeakPolarHBondContact OH-CE 3.4Å; V205-K208 PolarHBondContact O-N 3.03Å; V205-K208 VanDerWaalsContact O-N 3.16Å; T206-K208 PolarHBondContact O-N 3.11Å; K208-A212 PolarHBondContact O-N 2.8Å
209	V	98.9	Very high	98.8	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.018	22%	0.215	C	C	.	.	H	α-helix	trans	-65.2	-49.3	178.9	172.1	0	0	0	0	110.6	L152 P159 I164 P189 I191 V205 T206 A211 A212 V213	L152-V209 HydrophobicContact CD1-CG1 4.11Å; L152-V209 HydrophobicContact CD2-CG1 4.37Å; L152-V209 HydrophobicContact CD2-CG2 3.89Å; P159-V209 HydrophobicContact CG-CG2 4.31Å; I164-V209 HydrophobicContact CD1-CG2 4.43Å; I164-V209 HydrophobicContact CG1-CG2 4.18Å; P189-V209 HydrophobicContact CB-CG1 4.08Å; I191-V209 HydrophobicContact CD1-CB 4.04Å; I191-V209 HydrophobicContact CD1-CG1 4.36Å; I191-V209 HydrophobicContact CD1-CG2 3.94Å; I191-V209 HydrophobicContact CG1-CG2 4.28Å; V205-V209 HydrophobicContact CG1-CG2 4.14Å; V205-V209 WeakPolarHBondContact O-CG2 3.48Å; V205-V209 PolarHBondContact O-N 3.21Å; T206-V209 PolarHBondContact O-N 3.12Å; V209-A211 VanDerWaalsContact C-N 3.35Å; V209-A211 PolarHBondContact O-N 3.42Å; V209-A212 PolarHBondContact O-N 3.23Å; V209-V213 HydrophobicContact CG1-CG2 4.34Å; V209-V213 WeakPolarHBondContact O-CG2 3.11Å; V209-V213 PolarHBondContact O-N 3.38Å
210	L	98.9	Very high	98.8	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-66.4	-36.2	-178.1	-68	-177.1	0	0	0	112.5	P189 T206 A212 V213 Y214 L229 T256 L257 T260 V261	P189-L210 HydrophobicContact CG-CD2 3.93Å; T206-L210 HydrophobicContact CG2-CD1 3.88Å; T206-L210 HydrophobicContact CG2-CG 4.16Å; T206-L210 WeakPolarHBondContact O-CB 3.39Å; T206-L210 WeakPolarHBondContact O-CG 3.4Å; T206-L210 PolarHBondContact O-N 3.28Å; L210-A212 VanDerWaalsContact C-N 3.33Å; L210-A212 PolarHBondContact O-N 2.85Å; L210-V213 PolarHBondContact O-N 3.31Å; L210-Y214 WeakPolarHBondContact O-CD2 3.28Å; L210-Y214 PolarHBondContact O-N 3.41Å; L210-L229 HydrophobicContact CD1-CD2 4.43Å; L210-L229 HydrophobicContact CD2-CD1 4.08Å; L210-L229 HydrophobicContact CD2-CD2 4.07Å; L210-T256 HydrophobicContact CD1-CG2 4.2Å; L210-L257 HydrophobicContact CD1-CD2 3.82Å; L210-T260 HydrophobicContact CB-CG2 4.21Å; L210-V261 HydrophobicContact CD1-CG2 4.47Å
211	A	98.9	Very high	98.8	Very high	52 Å²	52	47.9 Å²	47.9	43%	0.43	23%	0.234	S	C	.	.	H	α-helix	trans	-59.4	-44.2	173	0	0	0	0	0	111.9	E207 V209 K215 T260	E207-A211 VanDerWaalsContact O-CB 3.29Å; E207-A211 WeakPolarHBondContact O-CB 3.11Å; E207-A211 PolarHBondContact O-N 3.03Å; V209-A211 VanDerWaalsContact C-N 3.35Å; V209-A211 PolarHBondContact O-N 3.42Å; A211-K215 WeakPolarHBondContact O-CB 3.2Å; A211-K215 PolarHBondContact O-N 3.49Å; A211-K215 VanDerWaalsContact O-N 3.08Å; A211-T260 HydrophobicContact CB-CG2 4.43Å
212	A	98.9	Very high	98.8	Very high	28 Å²	28	44.2 Å²	44.2	23%	0.231	22%	0.222	C	C	.	.	H	α-helix	trans	-65.2	-42.3	176.2	0	0	0	0	0	112.2	I164 A168 K208 V209 L210 K215 A216	I164-A212 HydrophobicContact CG2-CB 3.36Å; A168-A212 HydrophobicContact CB-CB 4.2Å; K208-A212 PolarHBondContact O-N 2.8Å; V209-A212 PolarHBondContact O-N 3.23Å; L210-A212 VanDerWaalsContact C-N 3.33Å; L210-A212 PolarHBondContact O-N 2.85Å; A212-K215 PolarHBondContact O-N 3.07Å; A212-A216 WeakPolarHBondContact O-CB 3.28Å; A212-A216 PolarHBondContact O-N 3.39Å
213	V	98.9	Very high	98.8	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.012	23%	0.229	C	C	.	.	H	α-helix	trans	-58.6	-52.3	176.8	168.7	0	0	0	0	110.9	A168 L171 V187 P189 V209 L210 K215 A216 L217	A168-V213 HydrophobicContact CB-CG2 4.23Å; L171-V213 HydrophobicContact CD1-CG2 4.27Å; V187-V213 HydrophobicContact CG1-CG1 3.87Å; P189-V213 HydrophobicContact CB-CG2 4.03Å; P189-V213 HydrophobicContact CG-CG2 4.21Å; V209-V213 HydrophobicContact CG1-CG2 4.34Å; V209-V213 WeakPolarHBondContact O-CG2 3.11Å; V209-V213 PolarHBondContact O-N 3.38Å; L210-V213 PolarHBondContact O-N 3.31Å; V213-K215 VanDerWaalsContact C-N 3.33Å; V213-K215 PolarHBondContact O-N 3.32Å; V213-A216 PolarHBondContact O-N 3.22Å; V213-L217 HydrophobicContact CG1-CD1 3.96Å; V213-L217 HydrophobicContact CG1-CG 4.29Å; V213-L217 VanDerWaalsContact O-CG 3.31Å; V213-L217 WeakPolarHBondContact O-CG 3.34Å; V213-L217 PolarHBondContact O-N 2.9Å
214	Y	98.9	Very high	98.8	Very high	16 Å²	16	46 Å²	46	6%	0.063	23%	0.228	C	C	.	.	H	α-helix	trans	-69.4	-30.3	-178	-80	-71.9	0	0	0	113.4	L210 L217 N218 L224 L229 T260 V261 P262 V265	L210-Y214 WeakPolarHBondContact O-CD2 3.28Å; L210-Y214 PolarHBondContact O-N 3.41Å; Y214-L217 HydrophobicContact CD1-CD1 3.84Å; Y214-L217 HydrophobicContact CE1-CD1 3.9Å; Y214-N218 WeakPolarHBondContact O-CB 3.45Å; Y214-N218 PolarHBondContact O-N 3.1Å; Y214-L224 HydrophobicContact CD1-CD1 4.27Å; Y214-L224 HydrophobicContact CD1-CD2 4.17Å; Y214-L224 HydrophobicContact CE1-CD1 4.48Å; Y214-L224 HydrophobicContact CE1-CD2 4.16Å; Y214-L229 HydrophobicContact CE2-CD1 4.5Å; Y214-L229 HydrophobicContact CE2-CD2 4.27Å; Y214-T260 WeakPolarHBondContact CD2-O 3.44Å; Y214-V261 HydrophobicContact CE2-CB 4.11Å; Y214-V261 HydrophobicContact CE2-CG1 4.03Å; Y214-V261 HydrophobicContact CE2-CG2 3.79Å; Y214-V261 WeakPolarHBondContact OH-CG1 3.21Å; Y214-P262 HydrophobicContact CD1-CG 3.9Å; Y214-P262 HydrophobicContact CE1-CG 4.43Å; Y214-P262 HydrophobicContact CG-CG 4.2Å; Y214-V265 HydrophobicContact CE1-CG2 3.6Å
215	K	98.9	Very high	98.9	Very high	115 Å²	115	43.6 Å²	43.6	50%	0.5	22%	0.221	S	C	.	.	H	α-helix	trans	-62.5	-47	169.4	-179.6	57.4	168.6	73	0	111.2	A211 A212 V213 N218 D219	A211-K215 WeakPolarHBondContact O-CB 3.2Å; A211-K215 PolarHBondContact O-N 3.49Å; A211-K215 VanDerWaalsContact O-N 3.08Å; A212-K215 PolarHBondContact O-N 3.07Å; V213-K215 VanDerWaalsContact C-N 3.33Å; V213-K215 PolarHBondContact O-N 3.32Å; K215-N218 WeakPolarHBondContact O-CB 3.37Å; K215-N218 PolarHBondContact O-N 3.2Å; K215-D219 IonicContact NZ-OD1 2.79Å; K215-D219 PolarHBondContact NZ-OD1 2.69Å; K215-D219 IonicContact NZ-OD2 2.81Å; K215-D219 PolarHBondContact NZ-OD2 3.39Å; K215-D219 VanDerWaalsContact O-CG 3.23Å; K215-D219 PolarHBondContact O-N 2.91Å
216	A	98.9	Very high	98.9	Very high	10 Å²	10	43.4 Å²	43.4	8%	0.083	22%	0.221	C	C	.	.	H	α-helix	trans	-63.8	-42.9	177.6	0	0	0	0	0	112.1	A168 A172 A212 V213 N218 D219 H220	A168-A216 HydrophobicContact CB-CB 3.93Å; A168-A216 WeakPolarHBondContact O-CB 3.44Å; A172-A216 HydrophobicContact CB-CB 3.91Å; A172-A216 WeakPolarHBondContact CB-O 3.48Å; A212-A216 WeakPolarHBondContact O-CB 3.28Å; A212-A216 PolarHBondContact O-N 3.39Å; V213-A216 PolarHBondContact O-N 3.22Å; A216-N218 VanDerWaalsContact C-N 3.27Å; A216-N218 PolarHBondContact O-N 3.26Å; A216-D219 PolarHBondContact O-N 3.48Å; A216-H220 PolarHBondContact O-CD2 3.42Å; A216-H220 PolarHBondContact O-N 3.41Å
217	L	98.9	Very high	98.9	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-58.1	-41	174.9	-67.7	175.2	0	0	0	111.7	A172 A175 V187 V213 Y214 H221 V222 L224	A172-L217 HydrophobicContact CB-CD2 4.19Å; A175-L217 HydrophobicContact CB-CD2 3.94Å; V187-L217 HydrophobicContact CG2-CD2 4.26Å; V213-L217 HydrophobicContact CG1-CD1 3.96Å; V213-L217 HydrophobicContact CG1-CG 4.29Å; V213-L217 VanDerWaalsContact O-CG 3.31Å; V213-L217 WeakPolarHBondContact O-CG 3.34Å; V213-L217 PolarHBondContact O-N 2.9Å; Y214-L217 HydrophobicContact CD1-CD1 3.84Å; Y214-L217 HydrophobicContact CE1-CD1 3.9Å; L217-H221 PolarHBondContact O-N 3.09Å; L217-V222 HydrophobicContact CB-CB 4.16Å; L217-V222 HydrophobicContact CB-CG2 4.41Å; L217-V222 HydrophobicContact CD2-CB 4.19Å; L217-V222 HydrophobicContact CD2-CG1 4.16Å; L217-V222 HydrophobicContact CD2-CG2 3.92Å; L217-V222 WeakPolarHBondContact O-CB 3.35Å; L217-V222 WeakPolarHBondContact O-CG2 3.4Å; L217-V222 PolarHBondContact O-N 3.4Å; L217-L224 HydrophobicContact CB-CD2 4.19Å; L217-L224 HydrophobicContact CD1-CD2 4.16Å
218	N	98.7	Very high	98.9	Very high	112 Å²	112	41.6 Å²	41.6	60%	0.599	21%	0.212	S	C	*	.	H	α-helix	trans	-65.9	-44.7	175.9	-174.8	-103.2	0	0	0	112.4	Y214 K215 A216 H220 H221	Y214-N218 WeakPolarHBondContact O-CB 3.45Å; Y214-N218 PolarHBondContact O-N 3.1Å; K215-N218 WeakPolarHBondContact O-CB 3.37Å; K215-N218 PolarHBondContact O-N 3.2Å; A216-N218 VanDerWaalsContact C-N 3.27Å; A216-N218 PolarHBondContact O-N 3.26Å; N218-H220 PolarHBondContact O-N 3.29Å; N218-H221 PolarHBondContact O-N 2.86Å
219	D	98.5	Very high	98.9	Very high	80 Å²	80	36.3 Å²	36.3	43%	0.428	19%	0.189	S	C	.	.	H	α-helix	trans	-61.9	-31.5	179.1	-69.5	-21	0	0	0	112.7	K215 A216 H221	K215-D219 IonicContact NZ-OD1 2.79Å; K215-D219 PolarHBondContact NZ-OD1 2.69Å; K215-D219 IonicContact NZ-OD2 2.81Å; K215-D219 PolarHBondContact NZ-OD2 3.39Å; K215-D219 VanDerWaalsContact O-CG 3.23Å; K215-D219 PolarHBondContact O-N 2.91Å; A216-D219 PolarHBondContact O-N 3.48Å; D219-H221 VanDerWaalsContact C-N 3.32Å
220	H	98.8	Very high	98.9	Very high	45 Å²	45	36.2 Å²	36.2	21%	0.208	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	14.2	176.2	-70.2	-111.3	0	0	0	113.2	N169 A172 R173 A216 N218 V222	N169-H220 PolarHBondContact OD1-CE1 2.65Å; N169-H220 PolarHBondContact OD1-NE2 3.31Å; A172-H220 HydrophobicContact CB-CB 3.9Å; R173-H220 VanDerWaalsContact CD-CE1 3.42Å; R173-H220 WeakPolarHBondContact CD-CE1 3.41Å; A216-H220 PolarHBondContact O-CD2 3.42Å; A216-H220 PolarHBondContact O-N 3.41Å; N218-H220 PolarHBondContact O-N 3.29Å; H220-V222 HydrophobicContact CB-CG2 4.31Å; H220-V222 PolarHBondContact O-N 3.12Å
221	H	98.4	Very high	98.9	Very high	138 Å²	138	36.2 Å²	36.2	64%	0.639	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	29.6	174.3	-45.1	-49.5	0	0	0	114.5	A7 L217 N218 D219 Y223	A7-H221 HydrophobicContact CB-CB 4.43Å; L217-H221 PolarHBondContact O-N 3.09Å; N218-H221 PolarHBondContact O-N 2.86Å; D219-H221 VanDerWaalsContact C-N 3.32Å; H221-Y223 PolarHBondContact O-N 3.14Å
222	V	98.9	Very high	98.9	Very high	12 Å²	12	34.3 Å²	34.3	7%	0.073	17%	0.171	C	C	.	.			trans	-69.3	130.1	179.9	179	0	0	0	0	110.1	A175 L217 H220 L224 T227	A175-V222 HydrophobicContact CB-CG1 4.06Å; A175-V222 HydrophobicContact CB-CG2 3.95Å; L217-V222 HydrophobicContact CB-CB 4.16Å; L217-V222 HydrophobicContact CB-CG2 4.41Å; L217-V222 HydrophobicContact CD2-CB 4.19Å; L217-V222 HydrophobicContact CD2-CG1 4.16Å; L217-V222 HydrophobicContact CD2-CG2 3.92Å; L217-V222 WeakPolarHBondContact O-CB 3.35Å; L217-V222 WeakPolarHBondContact O-CG2 3.4Å; L217-V222 PolarHBondContact O-N 3.4Å; H220-V222 HydrophobicContact CB-CG2 4.31Å; H220-V222 PolarHBondContact O-N 3.12Å; V222-L224 PolarHBondContact O-N 2.84Å; V222-T227 HydrophobicContact CG1-CG2 3.51Å
223	Y	98.9	Very high	98.8	Very high	47 Å²	47	33.1 Å²	33.1	18%	0.184	16%	0.161	C	C	.	.			trans	-80.7	102	177.5	174.8	-118.5	0	0	0	110.6	L8 K13 Q179 H221 E225 G226 T227	L8-Y223 HydrophobicContact CD1-CD1 4.38Å; L8-Y223 HydrophobicContact CD1-CG 4.33Å; K13-Y223 HydrophobicContact CB-CD1 4.19Å; K13-Y223 HydrophobicContact CB-CE1 3.67Å; K13-Y223 HydrophobicContact CB-CE2 4.37Å; K13-Y223 HydrophobicContact CD-CD2 4.14Å; K13-Y223 HydrophobicContact CD-CE2 3.93Å; K13-Y223 HydrophobicContact CG-CD1 3.95Å; K13-Y223 HydrophobicContact CG-CD2 4.17Å; K13-Y223 HydrophobicContact CG-CE1 3.88Å; K13-Y223 HydrophobicContact CG-CE2 4.09Å; K13-Y223 HydrophobicContact CG-CG 4.08Å; K13-Y223 WeakPolarHBondContact O-CE1 3.25Å; Q179-Y223 PolarHBondContact NE2-O 3.23Å; H221-Y223 PolarHBondContact O-N 3.14Å; Y223-E225 VanDerWaalsContact C-N 3.34Å; Y223-E225 HydrophobicContact CD1-CB 4.49Å; Y223-E225 VanDerWaalsContact CD2-OE2 3.22Å; Y223-E225 WeakPolarHBondContact CD2-OE2 3.43Å; Y223-E225 HydrophobicContact CE1-CB 3.79Å; Y223-E225 HydrophobicContact CE2-CB 3.9Å; Y223-E225 HydrophobicContact CE2-CG 4.05Å; Y223-E225 WeakPolarHBondContact CE2-OE2 3.31Å; Y223-E225 VanDerWaalsContact CZ-CB 3.47Å; Y223-E225 PolarHBondContact O-N 2.79Å; Y223-E225 WeakPolarHBondContact OH-CB 3.24Å; Y223-G226 PolarHBondContact O-N 2.87Å; Y223-G226 VanDerWaalsContact O-N 3.07Å; Y223-T227 WeakPolarHBondContact O-CG2 3.32Å
224	L	98.9	Very high	98.8	Very high	27 Å²	27	33.1 Å²	33.1	14%	0.141	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-64.6	-33.5	-166.8	-62.3	-174.8	0	0	0	114	Y214 L217 V222 G226 T227 P262 A264 V265 P266	Y214-L224 HydrophobicContact CD1-CD1 4.27Å; Y214-L224 HydrophobicContact CD1-CD2 4.17Å; Y214-L224 HydrophobicContact CE1-CD1 4.48Å; Y214-L224 HydrophobicContact CE1-CD2 4.16Å; L217-L224 HydrophobicContact CB-CD2 4.19Å; L217-L224 HydrophobicContact CD1-CD2 4.16Å; V222-L224 PolarHBondContact O-N 2.84Å; L224-G226 PolarHBondContact O-N 3.43Å; L224-T227 PolarHBondContact O-N 3.32Å; L224-T227 PolarHBondContact O-OG1 2.81Å; L224-P262 HydrophobicContact CD1-CB 3.83Å; L224-P262 HydrophobicContact CD1-CG 3.76Å; L224-A264 HydrophobicContact CB-CB 4.06Å; L224-V265 HydrophobicContact CB-CG2 4.21Å; L224-P266 WeakPolarHBondContact O-CD 3.46Å
225	E	98.9	Very high	98.8	Very high	70 Å²	70	33.5 Å²	33.5	33%	0.327	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-64	-18.8	177.5	-59.9	84.4	152.6	0	0	112.3	S17 Y223 A264	S17-E225 WeakPolarHBondContact CA-O 3.48Å; S17-E225 PolarHBondContact OG-O 2.88Å; Y223-E225 VanDerWaalsContact C-N 3.34Å; Y223-E225 HydrophobicContact CD1-CB 4.49Å; Y223-E225 VanDerWaalsContact CD2-OE2 3.22Å; Y223-E225 WeakPolarHBondContact CD2-OE2 3.43Å; Y223-E225 HydrophobicContact CE1-CB 3.79Å; Y223-E225 HydrophobicContact CE2-CB 3.9Å; Y223-E225 HydrophobicContact CE2-CG 4.05Å; Y223-E225 WeakPolarHBondContact CE2-OE2 3.31Å; Y223-E225 VanDerWaalsContact CZ-CB 3.47Å; Y223-E225 PolarHBondContact O-N 2.79Å; Y223-E225 WeakPolarHBondContact OH-CB 3.24Å; E225-A264 VanDerWaalsContact CA-O 3.29Å; E225-A264 WeakPolarHBondContact CA-O 3.39Å; E225-A264 HydrophobicContact CG-CB 4.22Å; E225-A264 WeakPolarHBondContact CG-O 3.48Å
226	G	98.9	Very high	98.8	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-105.6	29.1	173.1	0	0	0	0	0	113.3	Q179 P185 Y223 L224	Q179-G226 PolarHBondContact NE2-O 3.3Å; Q179-G226 VanDerWaalsContact NE2-O 3.15Å; P185-G226 WeakPolarHBondContact CD-O 3.45Å; Y223-G226 PolarHBondContact O-N 2.87Å; Y223-G226 VanDerWaalsContact O-N 3.07Å; L224-G226 PolarHBondContact O-N 3.43Å
227	T	99	Very high	98.7	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	15%	0.147	C	C	.	.			trans	-127	169.3	175.3	69.3	0	0	0	0	111.4	P185 V222 Y223 L224 P266	P185-T227 HydrophobicContact CG-CG2 3.99Å; V222-T227 HydrophobicContact CG1-CG2 3.51Å; Y223-T227 WeakPolarHBondContact O-CG2 3.32Å; L224-T227 PolarHBondContact O-N 3.32Å; L224-T227 PolarHBondContact O-OG1 2.81Å; T227-P266 WeakPolarHBondContact O-CD 3.28Å; T227-P266 WeakPolarHBondContact O-CG 3.37Å
228	L	98.9	Very high	98.6	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	147.4	162.8	-67.5	171	0	0	0	109.4	I23 V24 I30 V184 P185 I186 V187 P266	I23-L228 HydrophobicContact CB-CD1 4.04Å; I23-L228 HydrophobicContact CD1-CD1 4Å; I23-L228 HydrophobicContact CG2-CD1 3.67Å; V24-L228 HydrophobicContact CG1-CD1 4.11Å; V24-L228 HydrophobicContact CG1-CD2 3.56Å; V24-L228 HydrophobicContact CG2-CD2 4.34Å; I30-L228 HydrophobicContact CD1-CD1 4.43Å; V184-L228 HydrophobicContact CG1-CG 4.38Å; P185-L228 PolarHBondContact O-N 3.14Å; P185-L228 VanDerWaalsContact O-N 3.11Å; I186-L228 WeakPolarHBondContact CA-O 3.3Å; I186-L228 HydrophobicContact CG1-CB 4.14Å; I186-L228 HydrophobicContact CG1-CD1 4.3Å; V187-L228 PolarHBondContact N-O 2.98Å; L228-P266 HydrophobicContact CD2-CG 3.95Å
229	L	98.9	Very high	98.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	134.8	173.3	-175	70.3	0	0	0	109.8	V187 P189 L210 Y214 P231 L257 V261 G267 I268 C269	V187-L229 HydrophobicContact CG1-CD1 4.45Å; P189-L229 HydrophobicContact CG-CD1 4.23Å; L210-L229 HydrophobicContact CD1-CD2 4.43Å; L210-L229 HydrophobicContact CD2-CD1 4.08Å; L210-L229 HydrophobicContact CD2-CD2 4.07Å; Y214-L229 HydrophobicContact CE2-CD1 4.5Å; Y214-L229 HydrophobicContact CE2-CD2 4.27Å; L229-P231 HydrophobicContact CD2-CB 4.19Å; L229-P231 HydrophobicContact CD2-CG 3.9Å; L229-P231 HydrophobicContact CG-CB 4.27Å; L229-P231 HydrophobicContact CG-CG 4.05Å; L229-P231 WeakPolarHBondContact O-CD 3.23Å; L229-L257 HydrophobicContact CD2-CD2 4.27Å; L229-V261 HydrophobicContact CD2-CG2 3.95Å; L229-G267 PolarHBondContact N-O 3.15Å; L229-I268 HydrophobicContact CB-CG1 4.43Å; L229-I268 HydrophobicContact CD2-CG2 4.4Å; L229-I268 CarbonylContact O-C 3.36Å; L229-I268 WeakPolarHBondContact O-CA 3.27Å; L229-C269 PolarHBondContact O-N 3.08Å
230	K	98.9	Very high	98.4	Very high	1 Å²	1	27.8 Å²	27.8	0%	0.004	15%	0.146	C	C	.	.			trans	-120.9	80.6	171.1	176.8	170.3	-175.8	-146.3	0	109.7	I186 V187 E188 C269 L271 S301	I186-K230 HydrophobicContact CG2-CB 3.44Å; I186-K230 VanDerWaalsContact CG2-CB 3.44Å; I186-K230 HydrophobicContact CG2-CD 4.09Å; I186-K230 HydrophobicContact CG2-CG 4.41Å; V187-K230 PolarHBondContact O-N 3.28Å; E188-K230 WeakPolarHBondContact CA-O 3.38Å; E188-K230 HydrophobicContact CB-CB 3.99Å; E188-K230 HydrophobicContact CB-CD 4.31Å; E188-K230 HydrophobicContact CB-CG 4.17Å; E188-K230 HydrophobicContact CG-CB 4.24Å; E188-K230 HydrophobicContact CG-CD 4.05Å; E188-K230 HydrophobicContact CG-CG 3.88Å; E188-K230 WeakPolarHBondContact OE1-CD 3.3Å; E188-K230 WeakPolarHBondContact OE1-CE 3.39Å; E188-K230 IonicContact OE1-NZ 2.76Å; E188-K230 PolarHBondContact OE1-NZ 3.37Å; E188-K230 IonicContact OE2-NZ 3.93Å; E188-K230 PolarHBondContact OE2-NZ 2.96Å; K230-C269 WeakPolarHBondContact CA-O 3.27Å; K230-C269 WeakPolarHBondContact CB-O 3.47Å; K230-C269 VanDerWaalsContact CG-O 3.24Å; K230-C269 WeakPolarHBondContact CG-O 3.39Å; K230-L271 HydrophobicContact CG-CB 4.2Å; K230-S301 WeakPolarHBondContact CD-OG 3.42Å; K230-S301 WeakPolarHBondContact CE-O 3.43Å; K230-S301 VanDerWaalsContact CE-OG 3.26Å; K230-S301 WeakPolarHBondContact CE-OG 3.46Å
231	P	98.8	Very high	98.3	Very high	1 Å²	1	32 Å²	32	1%	0.006	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-90.8	165.7	179.9	37.2	-29.2	0	0	0	110.2	L229 L257 I268 F270 L271	L229-P231 HydrophobicContact CD2-CB 4.19Å; L229-P231 HydrophobicContact CD2-CG 3.9Å; L229-P231 HydrophobicContact CG-CB 4.27Å; L229-P231 HydrophobicContact CG-CG 4.05Å; L229-P231 WeakPolarHBondContact O-CD 3.23Å; P231-L257 HydrophobicContact CG-CD2 4.41Å; P231-I268 HydrophobicContact CG-CG2 3.56Å; P231-F270 HydrophobicContact CG-CD1 3.9Å; P231-F270 HydrophobicContact CG-CE1 3.94Å; P231-L271 WeakPolarHBondContact O-CG 3.41Å; P231-L271 PolarHBondContact O-N 3.27Å; P231-L271 VanDerWaalsContact O-N 3.14Å
232	N	98.9	Very high	98.2	Very high	12 Å²	12	30.9 Å²	30.9	6%	0.064	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-63.6	150.9	157.2	54.1	-79	0	0	0	110.3	I191 T206 L271	I191-N232 WeakPolarHBondContact CB-OD1 3.3Å; I191-N232 PolarHBondContact N-OD1 3.36Å; T206-N232 PolarHBondContact OG1-ND2 3.18Å; N232-L271 HydrophobicContact CB-CD1 4.14Å; N232-L271 HydrophobicContact CB-CG 4.46Å
233	M	98.8	Very high	98	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.02	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-66.6	154.9	159.2	-65.1	178.8	179.9	0	0	108.9	T235 V249 F270 N283 L284 I287 Y302	M233-T235 HydrophobicContact CB-CG2 4.11Å; M233-T235 PolarHBondContact O-N 3.01Å; M233-V249 HydrophobicContact CB-CG1 4.4Å; M233-F270 HydrophobicContact CE-CB 3.84Å; M233-F270 HydrophobicContact CE-CD2 4.15Å; M233-F270 HydrophobicContact CE-CG 3.97Å; M233-F270 HydrophobicContact CG-CB 4.2Å; M233-F270 HydrophobicContact CG-CD1 3.74Å; M233-F270 HydrophobicContact CG-CE1 4.31Å; M233-F270 HydrophobicContact CG-CG 3.99Å; M233-N283 HydrophobicContact CE-CB 4.3Å; M233-N283 HydrophobicContact SD-CB 3.58Å; M233-N283 VanDerWaalsContact SD-CB 3.58Å; M233-L284 HydrophobicContact CE-CB 4.02Å; M233-I287 HydrophobicContact CE-CD1 3.81Å; M233-I287 HydrophobicContact CG-CD1 3.93Å; M233-I287 HydrophobicContact SD-CD1 3.83Å; M233-Y302 WeakPolarHBondContact CE-OH 3.13Å
234	V	98.8	Very high	97.9	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	20%	0.199	C	C	.	.			trans	-82.2	100.2	173.1	179.2	0	0	0	0	107.7	L199 C202 Q203 T206 V249 A252 T253 T256	L199-V234 HydrophobicContact CD1-CG1 3.99Å; L199-V234 WeakPolarHBondContact CD1-O 3.36Å; L199-V234 HydrophobicContact CG-CG1 4.49Å; C202-V234 HydrophobicContact CB-CG1 4.23Å; Q203-V234 HydrophobicContact CB-CG1 3.7Å; Q203-V234 HydrophobicContact CG-CG1 4.14Å; T206-V234 HydrophobicContact CG2-CG2 4.25Å; V234-V249 WeakPolarHBondContact O-CG1 3.42Å; V234-A252 HydrophobicContact CB-CB 4.11Å; V234-A252 HydrophobicContact CG1-CB 3.71Å; V234-T253 PolarHBondContact N-OG1 2.82Å; V234-T256 HydrophobicContact CG2-CG2 4.34Å
235	T	98.6	Very high	97.9	Very high	25 Å²	25	40 Å²	40	15%	0.153	21%	0.211	C	C	.	.			trans	-123	157.9	178.2	62.2	0	0	0	0	110.1	C202 M233 V249	C202-T235 WeakPolarHBondContact CB-O 3.44Å; C202-T235 PolarHBondContact SG-O 2.86Å; M233-T235 HydrophobicContact CB-CG2 4.11Å; M233-T235 PolarHBondContact O-N 3.01Å; T235-V249 HydrophobicContact CG2-CG1 3.92Å; T235-V249 HydrophobicContact CG2-CG2 4.16Å
236	A	98.1	Very high	97.9	Very high	19 Å²	19	38.6 Å²	38.6	16%	0.157	21%	0.208	C	C	.	.			trans	-64	159.8	165.5	0	0	0	0	0	110.6	C240 Y244	A236-C240 HydrophobicContact CB-CB 3.78Å; A236-Y244 HydrophobicContact CB-CD2 3.64Å; A236-Y244 HydrophobicContact CB-CE2 3.65Å
237	G	97.5	Very high	97.8	Very high	5 Å²	5	44.1 Å²	44.1	5%	0.052	23%	0.234	C	C	.	.			trans	-60.7	152.1	174.8	0	0	0	0	0	111.5	P193 G195 H197 S239 C240	P193-G237 CarbonylContact O-C 3.09Å; P193-G237 WeakPolarHBondContact O-CA 3.29Å; G195-G237 CarbonylContact O-C 3.58Å; G195-G237 VanDerWaalsContact O-C 3.23Å; G195-G237 WeakPolarHBondContact O-CA 3.35Å; H197-G237 PolarHBondContact CD2-N 3.26Å; H197-G237 VanDerWaalsContact CE1-CA 3.49Å; H197-G237 WeakPolarHBondContact CE1-CA 3.35Å; H197-G237 WeakPolarHBondContact NE2-CA 3.12Å; H197-G237 PolarHBondContact NE2-N 2.64Å; H197-G237 PolarHBondContact O-N 3.13Å; G237-S239 PolarHBondContact O-N 2.97Å; G237-C240 WeakPolarHBondContact O-CB 3.43Å; G237-C240 PolarHBondContact O-N 3.45Å
238	H	95.4	Very high	97.8	Very high	89 Å²	89	47.2 Å²	47.2	41%	0.412	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-34.9	-175.1	-173.2	66.3	0	0	0	112.6	P193 G195 Y358	P193-H238 PolarHBondContact O-N 3.06Å; G195-H238 PolarHBondContact O-N 3.46Å; H238-Y358 HydrophobicContact CB-CD2 4.27Å; H238-Y358 HydrophobicContact CB-CE1 4.37Å; H238-Y358 HydrophobicContact CB-CE2 3.93Å; H238-Y358 AromaticContact CD2-CD1 3.34Å; H238-Y358 WeakPolarHBondContact CD2-CD1 3.19Å; H238-Y358 AromaticContact CD2-CE1 3.27Å; H238-Y358 WeakPolarHBondContact CD2-CE1 3.04Å; H238-Y358 AromaticContact CD2-CG 3.87Å; H238-Y358 AromaticContact CD2-CZ 3.76Å; H238-Y358 AromaticContact CE1-CD1 3.67Å; H238-Y358 AromaticContact CE1-CG 3.67Å; H238-Y358 AromaticContact CG-CD1 3.76Å; H238-Y358 AromaticContact CG-CD2 3.92Å; H238-Y358 AromaticContact CG-CE1 3.78Å; H238-Y358 AromaticContact CG-CE2 3.94Å; H238-Y358 AromaticContact CG-CG 3.8Å; H238-Y358 AromaticContact CG-CZ 3.84Å; H238-Y358 AromaticContact ND1-CD1 3.95Å; H238-Y358 AromaticContact ND1-CD2 3.98Å; H238-Y358 AromaticContact ND1-CG 3.68Å; H238-Y358 AromaticContact NE2-CD1 3.27Å; H238-Y358 VanDerWaalsContact NE2-CD1 3.27Å; H238-Y358 WeakPolarHBondContact NE2-CD1 3.32Å; H238-Y358 AromaticContact NE2-CE1 3.72Å; H238-Y358 AromaticContact NE2-CG 3.77Å
239	S	96	Very high	97.8	Very high	76 Å²	76	47.6 Å²	47.6	53%	0.531	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	6.1	178.3	-58.3	0	0	0	0	113.2	G195 G237 T241	G195-S239 WeakPolarHBondContact O-CB 3.14Å; G195-S239 PolarHBondContact O-N 2.95Å; G237-S239 PolarHBondContact O-N 2.97Å; S239-T241 PolarHBondContact O-N 2.94Å
240	C	97.4	Very high	97.8	Very high	10 Å²	10	47.6 Å²	47.6	7%	0.068	25%	0.253	C	S	.	.			trans	-65	128.1	178.6	-166.8	0	0	0	0	110.8	H197 A236 G237 K243	H197-C240 WeakPolarHBondContact O-CB 3.21Å; A236-C240 HydrophobicContact CB-CB 3.78Å; G237-C240 WeakPolarHBondContact O-CB 3.43Å; G237-C240 PolarHBondContact O-N 3.45Å; C240-K243 PolarHBondContact O-NZ 3.18Å
241	T	96.8	Very high	97.8	Very high	134 Å²	134	51.9 Å²	51.9	82%	0.822	28%	0.275	S	S	*	.	S	Bend	trans	-76	-30.9	179.6	54	0	0	0	0	111.9	S239	S239-T241 PolarHBondContact O-N 2.94Å
242	K	97.3	Very high	97.8	Very high	114 Å²	114	52 Å²	52	50%	0.496	28%	0.277	S	S	.	.	S	Bend	trans	-73.1	128.5	175.2	-175.5	169.1	167.1	-158.6	0	110.4	Y244	K242-Y244 HydrophobicContact CB-CE2 4.09Å; K242-Y244 HydrophobicContact CD-CE1 4.29Å; K242-Y244 HydrophobicContact CD-CE2 4.18Å; K242-Y244 WeakPolarHBondContact CD-OH 3.23Å; K242-Y244 VanDerWaalsContact CE-CZ 3.48Å; K242-Y244 WeakPolarHBondContact CE-OH 3.37Å; K242-Y244 HydrophobicContact CG-CE1 4.44Å; K242-Y244 HydrophobicContact CG-CE2 3.81Å; K242-Y244 PolarHBondContact NZ-OH 3.21Å
243	K	94.2	Very high	97.8	Very high	168 Å²	168	51.6 Å²	51.6	73%	0.73	27%	0.274	S	S	*	.			trans	-94.9	146.8	178.5	-57.1	-53.6	178.5	-166.4	0	111.1	C240	C240-K243 PolarHBondContact O-NZ 3.18Å
244	Y	97.6	Very high	97.8	Very high	46 Å²	46	51.5 Å²	51.5	18%	0.18	27%	0.274	C	S	.	.			trans	-131	143.5	-178.3	-66.6	-83.1	0	0	0	108.7	L199 Q200 A236 K242 D248	L199-Y244 HydrophobicContact CB-CD1 3.96Å; L199-Y244 HydrophobicContact CB-CD2 4.09Å; L199-Y244 HydrophobicContact CB-CE1 3.61Å; L199-Y244 HydrophobicContact CB-CE2 3.76Å; L199-Y244 HydrophobicContact CB-CG 4.17Å; L199-Y244 VanDerWaalsContact CB-CZ 3.48Å; L199-Y244 HydrophobicContact CD2-CD1 3.56Å; L199-Y244 HydrophobicContact CD2-CE1 3.82Å; L199-Y244 HydrophobicContact CD2-CG 4.09Å; L199-Y244 HydrophobicContact CG-CD1 4.35Å; L199-Y244 HydrophobicContact CG-CE1 4.36Å; Q200-Y244 PolarHBondContact OE1-OH 3.42Å; Q200-Y244 VanDerWaalsContact OE1-OH 3.06Å; A236-Y244 HydrophobicContact CB-CD2 3.64Å; A236-Y244 HydrophobicContact CB-CE2 3.65Å; K242-Y244 HydrophobicContact CB-CE2 4.09Å; K242-Y244 HydrophobicContact CD-CE1 4.29Å; K242-Y244 HydrophobicContact CD-CE2 4.18Å; K242-Y244 WeakPolarHBondContact CD-OH 3.23Å; K242-Y244 VanDerWaalsContact CE-CZ 3.48Å; K242-Y244 WeakPolarHBondContact CE-OH 3.37Å; K242-Y244 HydrophobicContact CG-CE1 4.44Å; K242-Y244 HydrophobicContact CG-CE2 3.81Å; K242-Y244 PolarHBondContact NZ-OH 3.21Å; Y244-D248 HydrophobicContact CD1-CB 4.05Å
245	T	97.9	Very high	97.8	Very high	64 Å²	64	52.8 Å²	52.8	39%	0.393	28%	0.282	S	S	.	.			trans	-80.4	162.8	176.6	65	0	0	0	0	110.8	Q247 D248 V249	T245-Q247 PolarHBondContact O-N 3.1Å; T245-Q247 PolarHBondContact OG1-N 3.47Å; T245-D248 WeakPolarHBondContact CB-OD2 3.47Å; T245-D248 PolarHBondContact N-OD2 2.93Å; T245-D248 WeakPolarHBondContact O-CB 3.47Å; T245-D248 PolarHBondContact O-N 3.47Å; T245-D248 VanDerWaalsContact O-N 3.08Å; T245-D248 PolarHBondContact OG1-N 3.12Å; T245-D248 VanDerWaalsContact OG1-N 3.16Å; T245-D248 PolarHBondContact OG1-OD2 3.27Å; T245-V249 PolarHBondContact O-N 2.96Å; T245-V249 VanDerWaalsContact O-N 3.12Å
246	P	98.3	Very high	97.8	Very high	40 Å²	40	51.7 Å²	51.7	26%	0.26	28%	0.275	S	S	.	.	H	α-helix	trans	-54.6	-31.8	169	-28	36.8	0	0	0	113.3	A250 L282 N283 A286	P246-A250 WeakPolarHBondContact O-CB 3.18Å; P246-A250 PolarHBondContact O-N 3.21Å; P246-L282 HydrophobicContact CG-CB 4.32Å; P246-N283 VanDerWaalsContact CA-OD1 3.28Å; P246-N283 WeakPolarHBondContact CA-OD1 3.43Å; P246-N283 WeakPolarHBondContact CB-OD1 3.17Å; P246-A286 HydrophobicContact CB-CB 3.85Å; P246-A286 WeakPolarHBondContact O-CB 3.34Å
247	Q	98.4	Very high	97.9	Very high	115 Å²	115	51 Å²	51	54%	0.537	27%	0.269	S	S	.	.	H	α-helix	trans	-68.5	-38.5	176.7	-70.5	71.2	25.1	0	0	112.2	T245 A250 L251	T245-Q247 PolarHBondContact O-N 3.1Å; T245-Q247 PolarHBondContact OG1-N 3.47Å; Q247-A250 PolarHBondContact O-N 3.19Å; Q247-L251 WeakPolarHBondContact O-CB 3.39Å; Q247-L251 PolarHBondContact O-N 2.96Å
248	D	98.6	Very high	97.9	Very high	67 Å²	67	56.2 Å²	56.2	36%	0.358	29%	0.287	S	S	.	.	H	α-helix	trans	-64.4	-48.3	174.6	-61	-52.7	0	0	0	111	L199 Y244 T245 A250 L251 A252	L199-D248 HydrophobicContact CD2-CB 3.99Å; Y244-D248 HydrophobicContact CD1-CB 4.05Å; T245-D248 WeakPolarHBondContact CB-OD2 3.47Å; T245-D248 PolarHBondContact N-OD2 2.93Å; T245-D248 WeakPolarHBondContact O-CB 3.47Å; T245-D248 PolarHBondContact O-N 3.47Å; T245-D248 VanDerWaalsContact O-N 3.08Å; T245-D248 PolarHBondContact OG1-N 3.12Å; T245-D248 VanDerWaalsContact OG1-N 3.16Å; T245-D248 PolarHBondContact OG1-OD2 3.27Å; D248-A250 VanDerWaalsContact C-N 3.28Å; D248-A250 PolarHBondContact O-N 3.06Å; D248-L251 PolarHBondContact O-N 3.3Å; D248-A252 WeakPolarHBondContact O-CB 3.43Å; D248-A252 PolarHBondContact O-N 2.95Å
249	V	98.8	Very high	98.1	Very high	9 Å²	9	59.5 Å²	59.5	6%	0.055	30%	0.296	C	S	.	.	H	α-helix	trans	-56.5	-45.2	175.2	168.2	0	0	0	0	110.4	L199 M233 V234 T235 T245 T253 N283	L199-V249 HydrophobicContact CD1-CG2 4.47Å; M233-V249 HydrophobicContact CB-CG1 4.4Å; V234-V249 WeakPolarHBondContact O-CG1 3.42Å; T235-V249 HydrophobicContact CG2-CG1 3.92Å; T235-V249 HydrophobicContact CG2-CG2 4.16Å; T245-V249 PolarHBondContact O-N 2.96Å; T245-V249 VanDerWaalsContact O-N 3.12Å; V249-T253 WeakPolarHBondContact O-CB 3.35Å; V249-T253 PolarHBondContact O-N 2.92Å; V249-T253 PolarHBondContact O-OG1 3.46Å; V249-N283 HydrophobicContact CG1-CB 4.24Å
250	A	98.8	Very high	98.2	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-64.5	-47.5	-178.7	0	0	0	0	0	112.8	P246 Q247 D248 T253 V254 A286 I287 V290	P246-A250 WeakPolarHBondContact O-CB 3.18Å; P246-A250 PolarHBondContact O-N 3.21Å; Q247-A250 PolarHBondContact O-N 3.19Å; D248-A250 VanDerWaalsContact C-N 3.28Å; D248-A250 PolarHBondContact O-N 3.06Å; A250-T253 PolarHBondContact O-N 3.43Å; A250-V254 WeakPolarHBondContact O-CB 3.33Å; A250-V254 WeakPolarHBondContact O-CG2 3.39Å; A250-V254 PolarHBondContact O-N 3.49Å; A250-A286 HydrophobicContact CB-CB 3.69Å; A250-I287 HydrophobicContact CB-CB 4.42Å; A250-I287 HydrophobicContact CB-CG1 3.88Å; A250-V290 HydrophobicContact CB-CG2 3.53Å
251	L	98.9	Very high	98.3	Very high	90 Å²	90	57 Å²	57	47%	0.471	28%	0.276	S	S	.	.	H	α-helix	trans	-63.2	-45.8	178.8	-179.2	61.9	0	0	0	111.4	Q247 D248 T255 V290 L292	Q247-L251 WeakPolarHBondContact O-CB 3.39Å; Q247-L251 PolarHBondContact O-N 2.96Å; D248-L251 PolarHBondContact O-N 3.3Å; L251-T255 WeakPolarHBondContact O-CB 3.34Å; L251-T255 PolarHBondContact O-N 2.72Å; L251-T255 PolarHBondContact O-OG1 3.31Å; L251-V290 HydrophobicContact CD1-CG1 4.34Å; L251-L292 HydrophobicContact CD1-CD1 3.82Å
252	A	98.9	Very high	98.4	Very high	5 Å²	5	52.9 Å²	52.9	4%	0.041	25%	0.252	C	S	.	.	H	α-helix	trans	-61.9	-45.4	177.5	0	0	0	0	0	111.2	L199 Q203 V234 D248 T255 T256	L199-A252 HydrophobicContact CD1-CB 4.23Å; L199-A252 HydrophobicContact CD2-CB 3.99Å; L199-A252 HydrophobicContact CG-CB 4.05Å; Q203-A252 HydrophobicContact CG-CB 4.47Å; V234-A252 HydrophobicContact CB-CB 4.11Å; V234-A252 HydrophobicContact CG1-CB 3.71Å; D248-A252 WeakPolarHBondContact O-CB 3.43Å; D248-A252 PolarHBondContact O-N 2.95Å; A252-T255 PolarHBondContact O-N 2.78Å; A252-T256 WeakPolarHBondContact O-CB 3.33Å; A252-T256 PolarHBondContact O-N 3.31Å; A252-T256 PolarHBondContact O-OG1 3.35Å; A252-T256 VanDerWaalsContact O-OG1 3.12Å
253	T	98.9	Very high	98.5	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.012	25%	0.254	C	S	.	.	H	α-helix	trans	-61.3	-54	178.7	-59.3	0	0	0	0	111.5	V234 V249 A250 T255 T256 L257 F270 I287	V234-T253 PolarHBondContact N-OG1 2.82Å; V249-T253 WeakPolarHBondContact O-CB 3.35Å; V249-T253 PolarHBondContact O-N 2.92Å; V249-T253 PolarHBondContact O-OG1 3.46Å; A250-T253 PolarHBondContact O-N 3.43Å; T253-T255 VanDerWaalsContact C-N 3.3Å; T253-T255 PolarHBondContact O-N 3.09Å; T253-T256 PolarHBondContact O-N 2.8Å; T253-L257 HydrophobicContact CG2-CD1 3.99Å; T253-L257 VanDerWaalsContact O-CG 3.28Å; T253-L257 WeakPolarHBondContact O-CG 3.2Å; T253-L257 PolarHBondContact O-N 2.65Å; T253-F270 HydrophobicContact CG2-CE1 3.49Å; T253-F270 VanDerWaalsContact CG2-CE1 3.49Å; T253-F270 HydrophobicContact CG2-CZ 3.66Å; T253-I287 HydrophobicContact CG2-CD1 3.95Å; T253-I287 HydrophobicContact CG2-CG1 4.38Å
254	V	98.9	Very high	98.7	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.012	24%	0.235	C	C	.	.	H	α-helix	trans	-64.6	-36.6	-178.2	174.8	0	0	0	0	111.4	A250 L257 R258 I287 V290 L292 R294 L298	A250-V254 WeakPolarHBondContact O-CB 3.33Å; A250-V254 WeakPolarHBondContact O-CG2 3.39Å; A250-V254 PolarHBondContact O-N 3.49Å; V254-L257 PolarHBondContact O-N 3.03Å; V254-R258 HydrophobicContact CG1-CG 4.31Å; V254-R258 WeakPolarHBondContact O-CB 3.01Å; V254-R258 VanDerWaalsContact O-CG 3.25Å; V254-R258 WeakPolarHBondContact O-CG 3.49Å; V254-R258 PolarHBondContact O-N 2.72Å; V254-I287 HydrophobicContact CG2-CG2 3.99Å; V254-V290 HydrophobicContact CB-CG1 4.26Å; V254-V290 HydrophobicContact CG1-CG1 4.25Å; V254-V290 HydrophobicContact CG2-CB 4.18Å; V254-V290 HydrophobicContact CG2-CG1 4.42Å; V254-V290 HydrophobicContact CG2-CG2 4.02Å; V254-L292 HydrophobicContact CG1-CB 3.99Å; V254-L292 HydrophobicContact CG1-CD1 4.07Å; V254-R294 HydrophobicContact CG1-CG 3.9Å; V254-L298 HydrophobicContact CG2-CD1 4.15Å
255	T	98.9	Very high	98.8	Very high	29 Å²	29	42.3 Å²	42.3	18%	0.178	23%	0.227	C	C	.	.	H	α-helix	trans	-62.4	-48	175.8	-61.7	0	0	0	0	111.6	L251 A252 T253 L257 R258 R259	L251-T255 WeakPolarHBondContact O-CB 3.34Å; L251-T255 PolarHBondContact O-N 2.72Å; L251-T255 PolarHBondContact O-OG1 3.31Å; A252-T255 PolarHBondContact O-N 2.78Å; T253-T255 VanDerWaalsContact C-N 3.3Å; T253-T255 PolarHBondContact O-N 3.09Å; T255-L257 VanDerWaalsContact C-N 3.35Å; T255-L257 PolarHBondContact O-N 2.95Å; T255-R258 PolarHBondContact O-N 3.12Å; T255-R259 WeakPolarHBondContact O-CG 3.42Å; T255-R259 PolarHBondContact O-N 3Å; T255-R259 VanDerWaalsContact O-N 3.13Å
256	T	98.9	Very high	98.8	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	21%	0.211	C	C	.	.	H	α-helix	trans	-56.9	-47.7	176.2	-70.1	0	0	0	0	112.1	Q203 T206 E207 L210 V234 A252 T253 R258 R259 T260	Q203-T256 WeakPolarHBondContact CG-OG1 3.22Å; T206-T256 HydrophobicContact CG2-CG2 3.55Å; E207-T256 HydrophobicContact CG-CG2 3.71Å; L210-T256 HydrophobicContact CD1-CG2 4.2Å; V234-T256 HydrophobicContact CG2-CG2 4.34Å; A252-T256 WeakPolarHBondContact O-CB 3.33Å; A252-T256 PolarHBondContact O-N 3.31Å; A252-T256 PolarHBondContact O-OG1 3.35Å; A252-T256 VanDerWaalsContact O-OG1 3.12Å; T253-T256 PolarHBondContact O-N 2.8Å; T256-R258 PolarHBondContact O-N 3.29Å; T256-R259 PolarHBondContact O-N 3.14Å; T256-R259 VanDerWaalsContact O-N 3.17Å; T256-T260 PolarHBondContact O-N 3.01Å; T256-T260 PolarHBondContact O-OG1 3.18Å
257	L	98.9	Very high	98.8	Very high	5 Å²	5	37.9 Å²	37.9	3%	0.026	20%	0.199	C	C	.	.	H	α-helix	trans	-64.1	-43.1	-178.8	-62.6	171.2	0	0	0	111	L210 L229 P231 T253 V254 T255 R259 T260 V261 I268 F270 W296 L298	L210-L257 HydrophobicContact CD1-CD2 3.82Å; L229-L257 HydrophobicContact CD2-CD2 4.27Å; P231-L257 HydrophobicContact CG-CD2 4.41Å; T253-L257 HydrophobicContact CG2-CD1 3.99Å; T253-L257 VanDerWaalsContact O-CG 3.28Å; T253-L257 WeakPolarHBondContact O-CG 3.2Å; T253-L257 PolarHBondContact O-N 2.65Å; V254-L257 PolarHBondContact O-N 3.03Å; T255-L257 VanDerWaalsContact C-N 3.35Å; T255-L257 PolarHBondContact O-N 2.95Å; L257-R259 PolarHBondContact O-N 3.35Å; L257-T260 PolarHBondContact O-N 3.39Å; L257-T260 VanDerWaalsContact O-N 3.13Å; L257-V261 HydrophobicContact CB-CG2 4.12Å; L257-V261 HydrophobicContact CD2-CG2 3.77Å; L257-V261 WeakPolarHBondContact O-CB 3.34Å; L257-V261 PolarHBondContact O-N 2.94Å; L257-I268 HydrophobicContact CB-CD1 4.28Å; L257-I268 HydrophobicContact CD1-CD1 3.72Å; L257-I268 HydrophobicContact CD1-CG2 4.32Å; L257-I268 HydrophobicContact CD2-CD1 4Å; L257-I268 HydrophobicContact CG-CD1 4.19Å; L257-F270 HydrophobicContact CD1-CE1 4.02Å; L257-F270 HydrophobicContact CD1-CZ 3.69Å; L257-W296 HydrophobicContact CB-CZ3 4.16Å; L257-L298 HydrophobicContact CD1-CD2 4.18Å
258	R	98.8	Very high	98.8	Very high	114 Å²	114	32.4 Å²	32.4	43%	0.43	17%	0.173	S	C	.	.	H	α-helix	trans	-59.8	-28.2	175.5	-75.6	174	58.3	68.6	6.2	113.9	V254 T255 T256 H293 W296	V254-R258 HydrophobicContact CG1-CG 4.31Å; V254-R258 WeakPolarHBondContact O-CB 3.01Å; V254-R258 VanDerWaalsContact O-CG 3.25Å; V254-R258 WeakPolarHBondContact O-CG 3.49Å; V254-R258 PolarHBondContact O-N 2.72Å; T255-R258 PolarHBondContact O-N 3.12Å; T256-R258 PolarHBondContact O-N 3.29Å; R258-H293 WeakPolarHBondContact CD-O 3.3Å; R258-H293 PolarHBondContact NH1-O 2.93Å; R258-W296 HydrophobicContact CG-CZ3 4.27Å
259	R	98.9	Very high	98.9	Very high	159 Å²	159	29.2 Å²	29.2	60%	0.6	16%	0.156	S	C	*	.	H	α-helix	trans	-83.4	-15	179.3	-74.4	171.1	173.5	176.4	-1.6	113.8	E207 T255 T256 L257	E207-R259 WeakPolarHBondContact OE1-CD 3.37Å; E207-R259 IonicContact OE1-CZ 3.12Å; E207-R259 IonicContact OE1-NE 3.35Å; E207-R259 IonicContact OE1-NH1 2.62Å; E207-R259 PolarHBondContact OE1-NH1 3.32Å; E207-R259 IonicContact OE2-NH1 3.47Å; E207-R259 PolarHBondContact OE2-NH1 2.9Å; T255-R259 WeakPolarHBondContact O-CG 3.42Å; T255-R259 PolarHBondContact O-N 3Å; T255-R259 VanDerWaalsContact O-N 3.13Å; T256-R259 PolarHBondContact O-N 3.14Å; T256-R259 VanDerWaalsContact O-N 3.17Å; L257-R259 PolarHBondContact O-N 3.35Å
260	T	98.9	Very high	98.9	Very high	21 Å²	21	28.8 Å²	28.8	13%	0.129	15%	0.154	C	C	.	.	H	α-helix	trans	-136.1	-30.8	-164.6	55.5	0	0	0	0	115.5	E207 L210 A211 Y214 T256 L257	E207-T260 HydrophobicContact CB-CG2 4.19Å; E207-T260 HydrophobicContact CG-CG2 4.37Å; E207-T260 WeakPolarHBondContact O-CG2 3.22Å; L210-T260 HydrophobicContact CB-CG2 4.21Å; A211-T260 HydrophobicContact CB-CG2 4.43Å; Y214-T260 WeakPolarHBondContact CD2-O 3.44Å; T256-T260 PolarHBondContact O-N 3.01Å; T256-T260 PolarHBondContact O-OG1 3.18Å; L257-T260 PolarHBondContact O-N 3.39Å; L257-T260 VanDerWaalsContact O-N 3.13Å
261	V	98.9	Very high	98.9	Very high	11 Å²	11	29.1 Å²	29.1	7%	0.067	16%	0.155	C	C	.	.	S	Bend	trans	-89.2	128.7	-176.8	-174.6	0	0	0	0	109.1	L210 Y214 L229 L257 V265 I268 W296	L210-V261 HydrophobicContact CD1-CG2 4.47Å; Y214-V261 HydrophobicContact CE2-CB 4.11Å; Y214-V261 HydrophobicContact CE2-CG1 4.03Å; Y214-V261 HydrophobicContact CE2-CG2 3.79Å; Y214-V261 WeakPolarHBondContact OH-CG1 3.21Å; L229-V261 HydrophobicContact CD2-CG2 3.95Å; L257-V261 HydrophobicContact CB-CG2 4.12Å; L257-V261 HydrophobicContact CD2-CG2 3.77Å; L257-V261 WeakPolarHBondContact O-CB 3.34Å; L257-V261 PolarHBondContact O-N 2.94Å; V261-V265 HydrophobicContact CG1-CB 4.09Å; V261-V265 HydrophobicContact CG1-CG2 3.9Å; V261-I268 HydrophobicContact CG1-CD1 4.34Å; V261-I268 HydrophobicContact CG2-CD1 4.31Å; V261-W296 HydrophobicContact CB-CH2 3.99Å; V261-W296 HydrophobicContact CB-CZ2 3.69Å; V261-W296 HydrophobicContact CG1-CD2 4.18Å; V261-W296 HydrophobicContact CG1-CZ2 3.8Å; V261-W296 WeakPolarHBondContact O-CH2 3.35Å; V261-W296 WeakPolarHBondContact O-CZ2 3.33Å
262	P	98.9	Very high	98.8	Very high	49 Å²	49	25.1 Å²	25.1	32%	0.318	14%	0.135	S	C	.	.			trans	-70.7	142.9	170.6	-22.6	35.7	0	0	0	112.1	Y214 L224 A264 V265 W296	Y214-P262 HydrophobicContact CD1-CG 3.9Å; Y214-P262 HydrophobicContact CE1-CG 4.43Å; Y214-P262 HydrophobicContact CG-CG 4.2Å; L224-P262 HydrophobicContact CD1-CB 3.83Å; L224-P262 HydrophobicContact CD1-CG 3.76Å; P262-A264 PolarHBondContact O-N 2.93Å; P262-V265 PolarHBondContact O-N 2.67Å; P262-W296 PolarHBondContact O-NE1 2.7Å
263	A	98.8	Very high	98.5	Very high	65 Å²	65	25.3 Å²	25.3	54%	0.537	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-16	-179.6	0	0	0	0	0	114.8	V265 P295	A263-V265 VanDerWaalsContact C-N 3.28Å; A263-V265 PolarHBondContact O-N 2.67Å; A263-P295 HydrophobicContact CB-CB 3.9Å; A263-P295 HydrophobicContact CB-CG 3.9Å
264	A	98.9	Very high	98.1	Very high	39 Å²	39	25.8 Å²	25.8	32%	0.322	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-23.3	177.1	0	0	0	0	0	113.6	L224 E225 P262	L224-A264 HydrophobicContact CB-CB 4.06Å; E225-A264 VanDerWaalsContact CA-O 3.29Å; E225-A264 WeakPolarHBondContact CA-O 3.39Å; E225-A264 HydrophobicContact CG-CB 4.22Å; E225-A264 WeakPolarHBondContact CG-O 3.48Å; P262-A264 PolarHBondContact O-N 2.93Å
265	V	98.9	Very high	97.9	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.012	15%	0.146	C	C	.	.			trans	-61.1	137.6	174.5	179.3	0	0	0	0	108.3	Y214 L224 V261 P262 A263 G267	Y214-V265 HydrophobicContact CE1-CG2 3.6Å; L224-V265 HydrophobicContact CB-CG2 4.21Å; V261-V265 HydrophobicContact CG1-CB 4.09Å; V261-V265 HydrophobicContact CG1-CG2 3.9Å; P262-V265 PolarHBondContact O-N 2.67Å; A263-V265 VanDerWaalsContact C-N 3.28Å; A263-V265 PolarHBondContact O-N 2.67Å; V265-G267 WeakPolarHBondContact CG1-O 3.38Å
266	P	98.8	Very high	97.9	Very high	10 Å²	10	25.3 Å²	25.3	7%	0.065	14%	0.139	C	C	.	.			trans	-82.2	-34.3	-178.9	27.3	-31.6	0	0	0	112.4	A20 L224 T227 L228 K297	A20-P266 HydrophobicContact CB-CB 4.47Å; A20-P266 HydrophobicContact CB-CG 3.66Å; L224-P266 WeakPolarHBondContact O-CD 3.46Å; T227-P266 WeakPolarHBondContact O-CD 3.28Å; T227-P266 WeakPolarHBondContact O-CG 3.37Å; L228-P266 HydrophobicContact CD2-CG 3.95Å; P266-K297 PolarHBondContact O-N 2.79Å; P266-K297 VanDerWaalsContact O-N 3.1Å
267	G	98.8	Very high	97.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	156.8	-176.3	0	0	0	0	0	115.5	L229 V265 K297	L229-G267 PolarHBondContact N-O 3.15Å; V265-G267 WeakPolarHBondContact CG1-O 3.38Å; G267-K297 CarbonylContact C-O 3.58Å; G267-K297 VanDerWaalsContact CA-O 3.29Å; G267-K297 WeakPolarHBondContact CA-O 3.24Å
268	I	98.9	Very high	97.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	114.1	178.7	-55.5	177.5	0	0	0	106.7	L229 P231 L257 V261 F270 W296 K297 L298 T299	L229-I268 HydrophobicContact CB-CG1 4.43Å; L229-I268 HydrophobicContact CD2-CG2 4.4Å; L229-I268 CarbonylContact O-C 3.36Å; L229-I268 WeakPolarHBondContact O-CA 3.27Å; P231-I268 HydrophobicContact CG-CG2 3.56Å; L257-I268 HydrophobicContact CB-CD1 4.28Å; L257-I268 HydrophobicContact CD1-CD1 3.72Å; L257-I268 HydrophobicContact CD1-CG2 4.32Å; L257-I268 HydrophobicContact CD2-CD1 4Å; L257-I268 HydrophobicContact CG-CD1 4.19Å; V261-I268 HydrophobicContact CG1-CD1 4.34Å; V261-I268 HydrophobicContact CG2-CD1 4.31Å; I268-F270 HydrophobicContact CG2-CD1 4.37Å; I268-F270 HydrophobicContact CG2-CE1 3.96Å; I268-F270 HydrophobicContact CG2-CE2 4.26Å; I268-F270 HydrophobicContact CG2-CZ 3.9Å; I268-W296 HydrophobicContact CD1-CB 4.08Å; I268-W296 HydrophobicContact CD1-CD2 3.88Å; I268-W296 HydrophobicContact CD1-CE3 3.87Å; I268-W296 HydrophobicContact CD1-CG 3.91Å; I268-W296 HydrophobicContact CG1-CB 4.08Å; I268-W296 HydrophobicContact CG1-CG 4.22Å; I268-K297 PolarHBondContact N-O 2.67Å; I268-L298 HydrophobicContact CB-CD2 3.77Å; I268-L298 HydrophobicContact CD1-CD2 3.7Å; I268-L298 HydrophobicContact CG1-CD2 4.07Å; I268-L298 HydrophobicContact CG2-CD2 4.42Å; I268-T299 PolarHBondContact O-N 2.85Å
269	C	98.9	Very high	97.6	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	85.7	-173.4	-53.1	0	0	0	0	109	V24 I30 L229 K230 T299 S301	V24-C269 VanDerWaalsContact CG1-SG 3.51Å; I30-C269 HydrophobicContact CD1-CB 4.08Å; L229-C269 PolarHBondContact O-N 3.08Å; K230-C269 WeakPolarHBondContact CA-O 3.27Å; K230-C269 WeakPolarHBondContact CB-O 3.47Å; K230-C269 VanDerWaalsContact CG-O 3.24Å; K230-C269 WeakPolarHBondContact CG-O 3.39Å; C269-T299 CarbonylContact C-O 3.51Å; C269-T299 WeakPolarHBondContact CA-O 3.38Å; C269-T299 HydrophobicContact CB-CG2 4.27Å; C269-S301 WeakPolarHBondContact O-CB 3.42Å
270	F	98.9	Very high	97.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	139.5	-171.5	-64.9	-76.7	0	0	0	113	P231 M233 T253 L257 I268 L284 I287 L298 T299 S301 Y302	P231-F270 HydrophobicContact CG-CD1 3.9Å; P231-F270 HydrophobicContact CG-CE1 3.94Å; M233-F270 HydrophobicContact CE-CB 3.84Å; M233-F270 HydrophobicContact CE-CD2 4.15Å; M233-F270 HydrophobicContact CE-CG 3.97Å; M233-F270 HydrophobicContact CG-CB 4.2Å; M233-F270 HydrophobicContact CG-CD1 3.74Å; M233-F270 HydrophobicContact CG-CE1 4.31Å; M233-F270 HydrophobicContact CG-CG 3.99Å; T253-F270 HydrophobicContact CG2-CE1 3.49Å; T253-F270 VanDerWaalsContact CG2-CE1 3.49Å; T253-F270 HydrophobicContact CG2-CZ 3.66Å; L257-F270 HydrophobicContact CD1-CE1 4.02Å; L257-F270 HydrophobicContact CD1-CZ 3.69Å; I268-F270 HydrophobicContact CG2-CD1 4.37Å; I268-F270 HydrophobicContact CG2-CE1 3.96Å; I268-F270 HydrophobicContact CG2-CE2 4.26Å; I268-F270 HydrophobicContact CG2-CZ 3.9Å; F270-L284 HydrophobicContact CD2-CD1 3.94Å; F270-L284 HydrophobicContact CE2-CD1 4.33Å; F270-I287 HydrophobicContact CD2-CD1 4.48Å; F270-I287 HydrophobicContact CE2-CD1 4.07Å; F270-I287 HydrophobicContact CE2-CG2 3.98Å; F270-I287 HydrophobicContact CZ-CD1 4.11Å; F270-I287 HydrophobicContact CZ-CG2 4.24Å; F270-L298 HydrophobicContact CE2-CB 4.19Å; F270-L298 HydrophobicContact CE2-CD2 4.29Å; F270-L298 HydrophobicContact CZ-CD2 4.32Å; F270-T299 VanDerWaalsContact CD2-O 3.27Å; F270-T299 WeakPolarHBondContact CD2-O 3.41Å; F270-T299 PolarHBondContact N-O 2.92Å; F270-S301 CarbonylContact O-C 3.25Å; F270-S301 PolarHBondContact O-N 3.33Å; F270-Y302 HydrophobicContact CB-CE1 4.38Å; F270-Y302 VanDerWaalsContact O-CD1 3.22Å; F270-Y302 WeakPolarHBondContact O-CD1 3.48Å; F270-Y302 WeakPolarHBondContact O-CE1 3.17Å
271	L	98.6	Very high	97.6	Very high	7 Å²	7	15.4 Å²	15.4	4%	0.037	10%	0.102	C	C	.	.			trans	-75.7	145.8	160.7	63.6	91.4	0	0	0	109.6	E188 E190 K230 P231 N232 G273	E188-L271 HydrophobicContact CG-CD2 4.2Å; E190-L271 HydrophobicContact CB-CD2 3.64Å; E190-L271 HydrophobicContact CG-CD1 4.09Å; E190-L271 HydrophobicContact CG-CD2 3.59Å; K230-L271 HydrophobicContact CG-CB 4.2Å; P231-L271 WeakPolarHBondContact O-CG 3.41Å; P231-L271 PolarHBondContact O-N 3.27Å; P231-L271 VanDerWaalsContact O-N 3.14Å; N232-L271 HydrophobicContact CB-CD1 4.14Å; N232-L271 HydrophobicContact CB-CG 4.46Å; L271-G273 VanDerWaalsContact C-N 3.33Å; L271-G273 VanDerWaalsContact CD1-N 3.33Å
272	S	97.4	Very high	97.6	Very high	7 Å²	7	17.1 Å²	17.1	5%	0.049	11%	0.111	C	C	.	.			trans	-80.1	-18.2	176.7	65.5	0	0	0	0	112.7	G274 Q275 A305	S272-G274 PolarHBondContact O-N 3.21Å; S272-Q275 VanDerWaalsContact O-CB 3.27Å; S272-Q275 WeakPolarHBondContact O-CB 3.29Å; S272-Q275 VanDerWaalsContact O-CG 3.27Å; S272-Q275 WeakPolarHBondContact O-CG 3.41Å; S272-Q275 PolarHBondContact O-N 3.36Å; S272-Q275 VanDerWaalsContact O-N 3.09Å; S272-Q275 PolarHBondContact O-NE2 3.25Å; S272-Q275 VanDerWaalsContact O-NE2 3.15Å; S272-A305 VanDerWaalsContact CB-CB 3.48Å
273	G	93.4	Very high	97.5	Very high	9 Å²	9	15 Å²	15	9%	0.093	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	-131.7	-173.1	0	0	0	0	0	110.3	L271 R304	L271-G273 VanDerWaalsContact C-N 3.33Å; L271-G273 VanDerWaalsContact CD1-N 3.33Å; G273-R304 PolarHBondContact O-NE 2.69Å; G273-R304 VanDerWaalsContact O-NE 3.16Å; G273-R304 PolarHBondContact O-NH2 3.16Å
274	G	90.2	Very high	97.6	Very high	11 Å²	11	11.9 Å²	11.9	11%	0.113	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	4	176.5	0	0	0	0	0	115.9	S272 L357 Y358	S272-G274 PolarHBondContact O-N 3.21Å; G274-L357 CarbonylContact O-C 3.48Å; G274-L357 PolarHBondContact O-N 3.13Å; G274-L357 VanDerWaalsContact O-N 3.1Å; G274-Y358 PolarHBondContact O-N 3.39Å
275	Q	95.4	Very high	97.5	Very high	17 Å²	17	10.6 Å²	10.6	8%	0.079	6%	0.059	C	C	.	.			trans	-58.7	147.9	179.7	-66	173.8	70.3	0	0	110.9	S272 E279 A280 N283 L357	S272-Q275 VanDerWaalsContact O-CB 3.27Å; S272-Q275 WeakPolarHBondContact O-CB 3.29Å; S272-Q275 VanDerWaalsContact O-CG 3.27Å; S272-Q275 WeakPolarHBondContact O-CG 3.41Å; S272-Q275 PolarHBondContact O-N 3.36Å; S272-Q275 VanDerWaalsContact O-N 3.09Å; S272-Q275 PolarHBondContact O-NE2 3.25Å; S272-Q275 VanDerWaalsContact O-NE2 3.15Å; Q275-E279 WeakPolarHBondContact CA-OE2 3.34Å; Q275-E279 HydrophobicContact CB-CB 4.25Å; Q275-E279 HydrophobicContact CB-CG 4.13Å; Q275-E279 HydrophobicContact CG-CG 4.15Å; Q275-A280 HydrophobicContact CB-CB 4.12Å; Q275-N283 PolarHBondContact OE1-ND2 3.34Å; Q275-L357 WeakPolarHBondContact O-CB 3.37Å; Q275-L357 WeakPolarHBondContact O-CD1 3.5Å
276	S	96.9	Very high	97.5	Very high	4 Å²	4	10.7 Å²	10.7	3%	0.028	6%	0.06	C	C	.	.			trans	-61.5	164.8	168.6	73.6	0	0	0	0	111	E278 E279 A280 A353 M354 Q355	S276-E278 PolarHBondContact O-N 3.12Å; S276-E279 PolarHBondContact N-OE2 3.45Å; S276-E279 WeakPolarHBondContact OG-CB 3.3Å; S276-E279 PolarHBondContact OG-N 3.19Å; S276-A280 WeakPolarHBondContact O-CB 3.34Å; S276-A280 PolarHBondContact O-N 2.8Å; S276-A280 VanDerWaalsContact O-N 3.09Å; S276-A353 WeakPolarHBondContact CB-O 3.37Å; S276-A353 PolarHBondContact OG-O 2.88Å; S276-M354 WeakPolarHBondContact CB-O 3.3Å; S276-Q355 WeakPolarHBondContact CA-O 3.4Å; S276-Q355 WeakPolarHBondContact CB-O 3.44Å
277	E	97.7	Very high	97.5	Very high	3 Å²	3	10.2 Å²	10.2	1%	0.014	6%	0.057	C	C	.	.	H	α-helix	trans	-57.5	-44.1	177	-61.7	-171.1	137	0	0	110.4	S281 A308 S309 R331 A353 L357	E277-S281 PolarHBondContact O-N 3.09Å; E277-S281 PolarHBondContact O-OG 3.31Å; E277-A308 HydrophobicContact CG-CB 4.02Å; E277-A308 PolarHBondContact OE1-N 3.41Å; E277-A308 VanDerWaalsContact OE1-N 3.14Å; E277-S309 PolarHBondContact OE1-N 2.88Å; E277-S309 VanDerWaalsContact OE2-CB 3.25Å; E277-S309 WeakPolarHBondContact OE2-CB 3.33Å; E277-S309 PolarHBondContact OE2-OG 3.45Å; E277-R331 PolarHBondContact O-NH2 3.49Å; E277-A353 HydrophobicContact CB-CB 4.43Å; E277-A353 PolarHBondContact N-O 3.39Å; E277-L357 HydrophobicContact CG-CD1 3.95Å
278	E	96.9	Very high	97.5	Very high	5 Å²	5	11.4 Å²	11.4	2%	0.023	6%	0.063	C	C	.	.	H	α-helix	trans	-71.4	-44.3	-177.7	-168.7	59.2	-166.4	0	0	113.3	S276 A280 S281 L282 R331 Y343 A349 A353 M354	S276-E278 PolarHBondContact O-N 3.12Å; E278-A280 VanDerWaalsContact C-N 3.3Å; E278-A280 PolarHBondContact O-N 3.15Å; E278-S281 PolarHBondContact O-N 3.32Å; E278-S281 VanDerWaalsContact O-N 3.12Å; E278-L282 HydrophobicContact CG-CD1 4.09Å; E278-L282 HydrophobicContact CG-CG 4.41Å; E278-L282 WeakPolarHBondContact O-CG 3.47Å; E278-L282 PolarHBondContact O-N 3.37Å; E278-R331 IonicContact OE2-CZ 2.78Å; E278-R331 IonicContact OE2-NH1 3.35Å; E278-R331 PolarHBondContact OE2-NH1 3.16Å; E278-R331 IonicContact OE2-NH2 3.24Å; E278-R331 PolarHBondContact OE2-NH2 2.96Å; E278-Y343 WeakPolarHBondContact OE1-CE1 3.45Å; E278-Y343 PolarHBondContact OE1-OH 3.48Å; E278-Y343 PolarHBondContact OE2-OH 3.19Å; E278-A349 HydrophobicContact CG-CB 4.21Å; E278-A353 HydrophobicContact CB-CB 4.12Å; E278-A353 WeakPolarHBondContact CB-O 3.46Å; E278-A353 PolarHBondContact N-O 3.08Å; E278-M354 HydrophobicContact CB-SD 3.65Å; E278-M354 HydrophobicContact CG-SD 3.57Å; E278-M354 VanDerWaalsContact CG-SD 3.57Å
279	E	97.1	Very high	97.5	Very high	84 Å²	84	16.1 Å²	16.1	39%	0.393	9%	0.086	S	C	.	.	H	α-helix	trans	-57.7	-44	176.2	-179.3	-178.3	-161.7	0	0	111.5	Q275 S276 S281 L282 N283	Q275-E279 WeakPolarHBondContact CA-OE2 3.34Å; Q275-E279 HydrophobicContact CB-CB 4.25Å; Q275-E279 HydrophobicContact CB-CG 4.13Å; Q275-E279 HydrophobicContact CG-CG 4.15Å; S276-E279 PolarHBondContact N-OE2 3.45Å; S276-E279 WeakPolarHBondContact OG-CB 3.3Å; S276-E279 PolarHBondContact OG-N 3.19Å; E279-S281 VanDerWaalsContact C-N 3.26Å; E279-S281 PolarHBondContact O-N 3.11Å; E279-L282 PolarHBondContact O-N 3.09Å; E279-N283 WeakPolarHBondContact O-CB 3.43Å; E279-N283 PolarHBondContact O-N 3.04Å; E279-N283 PolarHBondContact O-ND2 2.96Å
280	A	98.4	Very high	97.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-60.9	-34.5	178.3	0	0	0	0	0	112.8	Q275 S276 E278 L284 Y302 A305	Q275-A280 HydrophobicContact CB-CB 4.12Å; S276-A280 WeakPolarHBondContact O-CB 3.34Å; S276-A280 PolarHBondContact O-N 2.8Å; S276-A280 VanDerWaalsContact O-N 3.09Å; E278-A280 VanDerWaalsContact C-N 3.3Å; E278-A280 PolarHBondContact O-N 3.15Å; A280-L284 VanDerWaalsContact O-CB 3.28Å; A280-L284 WeakPolarHBondContact O-CB 3.36Å; A280-L284 PolarHBondContact O-N 3.2Å; A280-Y302 HydrophobicContact CB-CD2 4.38Å; A280-Y302 HydrophobicContact CB-CE2 3.62Å; A280-Y302 PolarHBondContact O-OH 3.44Å; A280-A305 HydrophobicContact CB-CB 3.76Å
281	S	98.6	Very high	97.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-76.5	-42.3	176.2	-65.7	0	0	0	0	112.4	E277 E278 E279 L284 N285 R331 I334 N335 A338	E277-S281 PolarHBondContact O-N 3.09Å; E277-S281 PolarHBondContact O-OG 3.31Å; E278-S281 PolarHBondContact O-N 3.32Å; E278-S281 VanDerWaalsContact O-N 3.12Å; E279-S281 VanDerWaalsContact C-N 3.26Å; E279-S281 PolarHBondContact O-N 3.11Å; S281-L284 PolarHBondContact O-N 3.38Å; S281-N285 VanDerWaalsContact O-CB 3.22Å; S281-N285 WeakPolarHBondContact O-CB 3.47Å; S281-N285 PolarHBondContact O-N 2.93Å; S281-R331 PolarHBondContact OG-NH2 3.02Å; S281-I334 WeakPolarHBondContact OG-CG2 3.29Å; S281-N335 PolarHBondContact OG-ND2 3.44Å; S281-N335 PolarHBondContact OG-OD1 3.29Å; S281-A338 WeakPolarHBondContact O-CB 3.15Å
282	L	98.3	Very high	97.3	Very high	48 Å²	48	25.4 Å²	25.4	25%	0.251	14%	0.142	S	C	.	.	H	α-helix	trans	-62.6	-44.9	177.8	-71.6	172.5	0	0	0	111.3	P246 E278 E279 N285 A286 Y343 P345	P246-L282 HydrophobicContact CG-CB 4.32Å; E278-L282 HydrophobicContact CG-CD1 4.09Å; E278-L282 HydrophobicContact CG-CG 4.41Å; E278-L282 WeakPolarHBondContact O-CG 3.47Å; E278-L282 PolarHBondContact O-N 3.37Å; E279-L282 PolarHBondContact O-N 3.09Å; L282-N285 PolarHBondContact O-N 2.98Å; L282-A286 WeakPolarHBondContact O-CB 3.2Å; L282-A286 PolarHBondContact O-N 3.36Å; L282-Y343 HydrophobicContact CD2-CD1 4.44Å; L282-Y343 HydrophobicContact CD2-CE1 4.15Å; L282-P345 HydrophobicContact CD2-CB 4.05Å; L282-P345 HydrophobicContact CD2-CG 3.92Å
283	N	98.8	Very high	97.3	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-65.3	-45.7	177.2	-72.9	-23.1	0	0	0	111.5	M233 P246 V249 Q275 E279 N285 A286 I287	M233-N283 HydrophobicContact CE-CB 4.3Å; M233-N283 HydrophobicContact SD-CB 3.58Å; M233-N283 VanDerWaalsContact SD-CB 3.58Å; P246-N283 VanDerWaalsContact CA-OD1 3.28Å; P246-N283 WeakPolarHBondContact CA-OD1 3.43Å; P246-N283 WeakPolarHBondContact CB-OD1 3.17Å; V249-N283 HydrophobicContact CG1-CB 4.24Å; Q275-N283 PolarHBondContact OE1-ND2 3.34Å; E279-N283 WeakPolarHBondContact O-CB 3.43Å; E279-N283 PolarHBondContact O-N 3.04Å; E279-N283 PolarHBondContact O-ND2 2.96Å; N283-N285 VanDerWaalsContact C-N 3.29Å; N283-N285 PolarHBondContact O-N 3.48Å; N283-A286 PolarHBondContact O-N 3.37Å; N283-I287 WeakPolarHBondContact O-CB 3.35Å; N283-I287 VanDerWaalsContact O-CG1 3.24Å; N283-I287 WeakPolarHBondContact O-CG1 3.4Å; N283-I287 PolarHBondContact O-N 3.42Å
284	L	98.9	Very high	97.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.7	-40.3	176	179.3	63	0	0	0	112.2	M233 F270 A280 S281 I287 N288 F300 A338	M233-L284 HydrophobicContact CE-CB 4.02Å; F270-L284 HydrophobicContact CD2-CD1 3.94Å; F270-L284 HydrophobicContact CE2-CD1 4.33Å; A280-L284 VanDerWaalsContact O-CB 3.28Å; A280-L284 WeakPolarHBondContact O-CB 3.36Å; A280-L284 PolarHBondContact O-N 3.2Å; S281-L284 PolarHBondContact O-N 3.38Å; L284-I287 WeakPolarHBondContact O-CB 3.48Å; L284-I287 PolarHBondContact O-N 3.09Å; L284-N288 PolarHBondContact O-N 3.37Å; L284-N288 VanDerWaalsContact O-N 3.12Å; L284-N288 PolarHBondContact O-ND2 3.17Å; L284-F300 HydrophobicContact CD2-CB 3.97Å; L284-F300 HydrophobicContact CD2-CD1 3.8Å; L284-F300 HydrophobicContact CD2-CG 4.33Å; L284-A338 HydrophobicContact CB-CB 4.18Å; L284-A338 HydrophobicContact CD2-CB 4.01Å; L284-A338 HydrophobicContact CG-CB 4.09Å
285	N	98.8	Very high	97.9	Very high	11 Å²	11	36.3 Å²	36.3	6%	0.059	19%	0.188	C	C	.	.	H	α-helix	trans	-64	-47.9	176.9	-173.3	72.5	0	0	0	111.2	S281 L282 N283 I287 N288 Q289 A338 G341 E342 Y343	S281-N285 VanDerWaalsContact O-CB 3.22Å; S281-N285 WeakPolarHBondContact O-CB 3.47Å; S281-N285 PolarHBondContact O-N 2.93Å; L282-N285 PolarHBondContact O-N 2.98Å; N283-N285 VanDerWaalsContact C-N 3.29Å; N283-N285 PolarHBondContact O-N 3.48Å; N285-I287 VanDerWaalsContact C-N 3.32Å; N285-I287 PolarHBondContact O-N 3.27Å; N285-N288 CarbonylContact O-C 3.49Å; N285-N288 PolarHBondContact O-N 2.55Å; N285-N288 VanDerWaalsContact O-N 3.11Å; N285-Q289 VanDerWaalsContact ND2-CD 3.3Å; N285-Q289 PolarHBondContact ND2-NE2 3.31Å; N285-Q289 PolarHBondContact ND2-OE1 3.02Å; N285-Q289 WeakPolarHBondContact O-CG 3.4Å; N285-Q289 PolarHBondContact O-N 3.2Å; N285-A338 WeakPolarHBondContact CA-O 3.11Å; N285-A338 HydrophobicContact CB-CB 3.88Å; N285-G341 WeakPolarHBondContact OD1-CA 3.34Å; N285-G341 PolarHBondContact OD1-O 3.46Å; N285-E342 PolarHBondContact OD1-N 3Å; N285-Y343 PolarHBondContact ND2-O 3.31Å; N285-Y343 WeakPolarHBondContact OD1-CB 3.15Å; N285-Y343 PolarHBondContact OD1-N 3.49Å
286	A	98.8	Very high	98.1	Very high	5 Å²	5	36.3 Å²	36.3	4%	0.041	19%	0.188	C	C	.	.	H	α-helix	trans	-59.8	-42.4	176.3	0	0	0	0	0	111.4	P246 A250 L282 N283 N288 Q289 V290	P246-A286 HydrophobicContact CB-CB 3.85Å; P246-A286 WeakPolarHBondContact O-CB 3.34Å; A250-A286 HydrophobicContact CB-CB 3.69Å; L282-A286 WeakPolarHBondContact O-CB 3.2Å; L282-A286 PolarHBondContact O-N 3.36Å; N283-A286 PolarHBondContact O-N 3.37Å; A286-N288 VanDerWaalsContact C-N 3.26Å; A286-N288 PolarHBondContact O-N 3.47Å; A286-Q289 CarbonylContact O-C 3.51Å; A286-Q289 WeakPolarHBondContact O-CA 3.41Å; A286-Q289 PolarHBondContact O-N 3.03Å; A286-V290 WeakPolarHBondContact O-CG2 3.46Å; A286-V290 PolarHBondContact O-N 3.46Å
287	I	98.9	Very high	98.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-54.1	-42.3	174.2	-76.2	164.8	0	0	0	111.4	M233 A250 T253 V254 F270 N283 L284 N285 Q289 R294 L298	M233-I287 HydrophobicContact CE-CD1 3.81Å; M233-I287 HydrophobicContact CG-CD1 3.93Å; M233-I287 HydrophobicContact SD-CD1 3.83Å; A250-I287 HydrophobicContact CB-CB 4.42Å; A250-I287 HydrophobicContact CB-CG1 3.88Å; T253-I287 HydrophobicContact CG2-CD1 3.95Å; T253-I287 HydrophobicContact CG2-CG1 4.38Å; V254-I287 HydrophobicContact CG2-CG2 3.99Å; F270-I287 HydrophobicContact CD2-CD1 4.48Å; F270-I287 HydrophobicContact CE2-CD1 4.07Å; F270-I287 HydrophobicContact CE2-CG2 3.98Å; F270-I287 HydrophobicContact CZ-CD1 4.11Å; F270-I287 HydrophobicContact CZ-CG2 4.24Å; N283-I287 WeakPolarHBondContact O-CB 3.35Å; N283-I287 VanDerWaalsContact O-CG1 3.24Å; N283-I287 WeakPolarHBondContact O-CG1 3.4Å; N283-I287 PolarHBondContact O-N 3.42Å; L284-I287 WeakPolarHBondContact O-CB 3.48Å; L284-I287 PolarHBondContact O-N 3.09Å; N285-I287 VanDerWaalsContact C-N 3.32Å; N285-I287 PolarHBondContact O-N 3.27Å; I287-Q289 VanDerWaalsContact C-N 3.32Å; I287-R294 PolarHBondContact O-NH1 2.92Å; I287-L298 HydrophobicContact CG2-CB 4.12Å; I287-L298 HydrophobicContact CG2-CD1 3.39Å; I287-L298 HydrophobicContact CG2-CG 4.34Å
288	N	98.8	Very high	98.2	Very high	24 Å²	24	40.7 Å²	40.7	13%	0.128	21%	0.206	C	C	.	.	H	α-helix	trans	-79.9	-8.6	177.8	-79.3	-70.8	0	0	0	114.3	L284 N285 A286 R294 L298 A338 S339	L284-N288 PolarHBondContact O-N 3.37Å; L284-N288 VanDerWaalsContact O-N 3.12Å; L284-N288 PolarHBondContact O-ND2 3.17Å; N285-N288 CarbonylContact O-C 3.49Å; N285-N288 PolarHBondContact O-N 2.55Å; N285-N288 VanDerWaalsContact O-N 3.11Å; A286-N288 VanDerWaalsContact C-N 3.26Å; A286-N288 PolarHBondContact O-N 3.47Å; N288-R294 VanDerWaalsContact CA-NH1 3.29Å; N288-R294 VanDerWaalsContact O-CZ 3.25Å; N288-R294 PolarHBondContact O-NH1 3.31Å; N288-R294 PolarHBondContact O-NH2 2.79Å; N288-L298 PolarHBondContact ND2-O 2.96Å; N288-L298 PolarHBondContact OD1-O 3.01Å; N288-A338 PolarHBondContact ND2-O 3.35Å; N288-S339 VanDerWaalsContact CG-O 3.25Å; N288-S339 PolarHBondContact ND2-O 3.06Å; N288-S339 PolarHBondContact OD1-O 3.32Å
289	Q	98.4	Very high	98.3	Very high	100 Å²	100	40.6 Å²	40.6	47%	0.467	21%	0.206	S	C	.	.	H	α-helix	trans	-100.2	-10.6	174.1	-69.5	177.9	-13.2	0	0	114	N285 A286 I287 G341	N285-Q289 VanDerWaalsContact ND2-CD 3.3Å; N285-Q289 PolarHBondContact ND2-NE2 3.31Å; N285-Q289 PolarHBondContact ND2-OE1 3.02Å; N285-Q289 WeakPolarHBondContact O-CG 3.4Å; N285-Q289 PolarHBondContact O-N 3.2Å; A286-Q289 CarbonylContact O-C 3.51Å; A286-Q289 WeakPolarHBondContact O-CA 3.41Å; A286-Q289 PolarHBondContact O-N 3.03Å; I287-Q289 VanDerWaalsContact C-N 3.32Å; Q289-G341 PolarHBondContact NE2-O 3.3Å
290	V	97.4	Very high	98.4	Very high	11 Å²	11	36.6 Å²	36.6	7%	0.067	19%	0.187	C	C	.	.			trans	-54.6	130	177.5	176.8	0	0	0	0	111.2	A250 L251 V254 A286 L292 R294	A250-V290 HydrophobicContact CB-CG2 3.53Å; L251-V290 HydrophobicContact CD1-CG1 4.34Å; V254-V290 HydrophobicContact CB-CG1 4.26Å; V254-V290 HydrophobicContact CG1-CG1 4.25Å; V254-V290 HydrophobicContact CG2-CB 4.18Å; V254-V290 HydrophobicContact CG2-CG1 4.42Å; V254-V290 HydrophobicContact CG2-CG2 4.02Å; A286-V290 WeakPolarHBondContact O-CG2 3.46Å; A286-V290 PolarHBondContact O-N 3.46Å; V290-L292 HydrophobicContact CG1-CB 3.86Å; V290-L292 HydrophobicContact CG1-CD1 3.82Å; V290-L292 HydrophobicContact CG1-CG 3.64Å; V290-L292 PolarHBondContact O-N 3.12Å; V290-R294 PolarHBondContact O-NH1 3.48Å
291	P	97.2	Very high	98.4	Very high	129 Å²	129	36.6 Å²	36.6	84%	0.838	19%	0.187	S	C	*	.	S	Bend	trans	-80.5	47.9	-179.9	35.2	-37.9	0	0	0	112.1
292	L	97.6	Very high	98.4	Very high	61 Å²	61	36.6 Å²	36.6	32%	0.319	19%	0.187	S	C	.	.	S	Bend	trans	-121.7	148.9	174.4	-64	178.2	0	0	0	109.5	L251 V254 V290 R294	L251-L292 HydrophobicContact CD1-CD1 3.82Å; V254-L292 HydrophobicContact CG1-CB 3.99Å; V254-L292 HydrophobicContact CG1-CD1 4.07Å; V290-L292 HydrophobicContact CG1-CB 3.86Å; V290-L292 HydrophobicContact CG1-CD1 3.82Å; V290-L292 HydrophobicContact CG1-CG 3.64Å; V290-L292 PolarHBondContact O-N 3.12Å; L292-R294 PolarHBondContact O-N 3.1Å
293	H	97.4	Very high	98.4	Very high	131 Å²	131	34.6 Å²	34.6	61%	0.606	18%	0.178	S	C	*	.			trans	-64.1	133.9	175.8	177.8	72.2	0	0	0	111.2	R258	R258-H293 WeakPolarHBondContact CD-O 3.3Å; R258-H293 PolarHBondContact NH1-O 2.93Å
294	R	97.4	Very high	98.2	Very high	73 Å²	73	35.5 Å²	35.5	28%	0.275	18%	0.182	S	C	.	.			trans	-132.6	100	-177.6	-65.3	163.4	-63.6	-154.4	7.9	108	V254 I287 N288 V290 L292 W296 L298	V254-R294 HydrophobicContact CG1-CG 3.9Å; I287-R294 PolarHBondContact O-NH1 2.92Å; N288-R294 VanDerWaalsContact CA-NH1 3.29Å; N288-R294 VanDerWaalsContact O-CZ 3.25Å; N288-R294 PolarHBondContact O-NH1 3.31Å; N288-R294 PolarHBondContact O-NH2 2.79Å; V290-R294 PolarHBondContact O-NH1 3.48Å; L292-R294 PolarHBondContact O-N 3.1Å; R294-W296 PolarHBondContact O-N 3.47Å; R294-L298 HydrophobicContact CB-CD1 4.44Å; R294-L298 VanDerWaalsContact CD-CD1 3.49Å; R294-L298 HydrophobicContact CG-CD1 4.02Å
295	P	98.3	Very high	98.1	Very high	52 Å²	52	35.5 Å²	35.5	34%	0.338	18%	0.182	S	C	.	.			trans	-76.1	-7.2	-178.6	30	-34	0	0	0	113.2	A263	A263-P295 HydrophobicContact CB-CB 3.9Å; A263-P295 HydrophobicContact CB-CG 3.9Å
296	W	98.8	Very high	98.1	Very high	18 Å²	18	35 Å²	35	7%	0.068	18%	0.179	C	C	.	.	S	Bend	trans	-103.3	156.8	178.3	-43.7	-78.3	0	0	0	112	L257 R258 V261 P262 I268 R294 L298	L257-W296 HydrophobicContact CB-CZ3 4.16Å; R258-W296 HydrophobicContact CG-CZ3 4.27Å; V261-W296 HydrophobicContact CB-CH2 3.99Å; V261-W296 HydrophobicContact CB-CZ2 3.69Å; V261-W296 HydrophobicContact CG1-CD2 4.18Å; V261-W296 HydrophobicContact CG1-CZ2 3.8Å; V261-W296 WeakPolarHBondContact O-CH2 3.35Å; V261-W296 WeakPolarHBondContact O-CZ2 3.33Å; P262-W296 PolarHBondContact O-NE1 2.7Å; I268-W296 HydrophobicContact CD1-CB 4.08Å; I268-W296 HydrophobicContact CD1-CD2 3.88Å; I268-W296 HydrophobicContact CD1-CE3 3.87Å; I268-W296 HydrophobicContact CD1-CG 3.91Å; I268-W296 HydrophobicContact CG1-CB 4.08Å; I268-W296 HydrophobicContact CG1-CG 4.22Å; R294-W296 PolarHBondContact O-N 3.47Å; W296-L298 HydrophobicContact CB-CD2 4.43Å
297	K	98.8	Very high	98	Very high	93 Å²	93	34.9 Å²	34.9	40%	0.404	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	131.2	158.8	-57	-57.5	-175.8	-172.8	0	109.7	V24 P266 G267 I268	V24-K297 HydrophobicContact CB-CB 4.04Å; V24-K297 HydrophobicContact CB-CG 4.4Å; V24-K297 HydrophobicContact CG2-CB 4.01Å; V24-K297 HydrophobicContact CG2-CG 3.97Å; P266-K297 PolarHBondContact O-N 2.79Å; P266-K297 VanDerWaalsContact O-N 3.1Å; G267-K297 CarbonylContact C-O 3.58Å; G267-K297 VanDerWaalsContact CA-O 3.29Å; G267-K297 WeakPolarHBondContact CA-O 3.24Å; I268-K297 PolarHBondContact N-O 2.67Å
298	L	98.9	Very high	98	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.026	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	103.5	177.1	-61.8	-173.8	0	0	0	109.1	V254 L257 I268 F270 I287 N288 R294 W296	V254-L298 HydrophobicContact CG2-CD1 4.15Å; L257-L298 HydrophobicContact CD1-CD2 4.18Å; I268-L298 HydrophobicContact CB-CD2 3.77Å; I268-L298 HydrophobicContact CD1-CD2 3.7Å; I268-L298 HydrophobicContact CG1-CD2 4.07Å; I268-L298 HydrophobicContact CG2-CD2 4.42Å; F270-L298 HydrophobicContact CE2-CB 4.19Å; F270-L298 HydrophobicContact CE2-CD2 4.29Å; F270-L298 HydrophobicContact CZ-CD2 4.32Å; I287-L298 HydrophobicContact CG2-CB 4.12Å; I287-L298 HydrophobicContact CG2-CD1 3.39Å; I287-L298 HydrophobicContact CG2-CG 4.34Å; N288-L298 PolarHBondContact ND2-O 2.96Å; N288-L298 PolarHBondContact OD1-O 3.01Å; R294-L298 HydrophobicContact CB-CD1 4.44Å; R294-L298 VanDerWaalsContact CD-CD1 3.49Å; R294-L298 HydrophobicContact CG-CD1 4.02Å; W296-L298 HydrophobicContact CB-CD2 4.43Å
299	T	98.9	Very high	97.9	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.018	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	-169.9	-173.3	-165.5	0	0	0	0	111.4	V24 K28 G29 I268 C269 F270	V24-T299 HydrophobicContact CB-CG2 4.31Å; V24-T299 HydrophobicContact CG1-CG2 3.94Å; K28-T299 WeakPolarHBondContact O-CB 3.25Å; K28-T299 PolarHBondContact O-OG1 2.95Å; G29-T299 WeakPolarHBondContact CA-OG1 3.12Å; I268-T299 PolarHBondContact O-N 2.85Å; C269-T299 CarbonylContact C-O 3.51Å; C269-T299 WeakPolarHBondContact CA-O 3.38Å; C269-T299 HydrophobicContact CB-CG2 4.27Å; F270-T299 VanDerWaalsContact CD2-O 3.27Å; F270-T299 WeakPolarHBondContact CD2-O 3.41Å; F270-T299 PolarHBondContact N-O 2.92Å
300	F	98.9	Very high	97.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	150.1	-174.8	55.2	-81.6	0	0	0	112.8	G29 I30 S73 I74 L284 Y302 L306 N335	G29-F300 CarbonylContact C-O 3.59Å; G29-F300 WeakPolarHBondContact CA-O 3.49Å; I30-F300 PolarHBondContact N-O 3.12Å; S73-F300 VanDerWaalsContact O-CZ 3.25Å; S73-F300 WeakPolarHBondContact O-CZ 3.3Å; I74-F300 HydrophobicContact CD1-CE2 3.87Å; I74-F300 HydrophobicContact CD1-CZ 4.23Å; L284-F300 HydrophobicContact CD2-CB 3.97Å; L284-F300 HydrophobicContact CD2-CD1 3.8Å; L284-F300 HydrophobicContact CD2-CG 4.33Å; F300-Y302 HydrophobicContact CB-CD1 3.74Å; F300-Y302 HydrophobicContact CB-CD2 3.76Å; F300-Y302 HydrophobicContact CB-CE1 3.71Å; F300-Y302 HydrophobicContact CB-CE2 3.74Å; F300-Y302 HydrophobicContact CB-CG 3.76Å; F300-Y302 HydrophobicContact CD2-CD2 4.37Å; F300-Y302 HydrophobicContact CD2-CG 4.38Å; F300-Y302 HydrophobicContact CG-CD2 4.32Å; F300-Y302 HydrophobicContact CG-CG 4.49Å; F300-L306 HydrophobicContact CD2-CD1 4.08Å; F300-L306 HydrophobicContact CE2-CD1 3.92Å; F300-N335 HydrophobicContact CD1-CB 3.72Å; F300-N335 HydrophobicContact CD2-CB 4.25Å; F300-N335 HydrophobicContact CE1-CB 3.55Å; F300-N335 WeakPolarHBondContact CE1-O 3.42Å; F300-N335 HydrophobicContact CE2-CB 4.09Å; F300-N335 HydrophobicContact CG-CB 4.06Å; F300-N335 HydrophobicContact CZ-CB 3.72Å
301	S	98.9	Very high	97.8	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.007	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	84.2	158.5	-178.2	0	0	0	0	108.6	I30 K230 C269 F270	I30-S301 WeakPolarHBondContact O-CA 3.36Å; K230-S301 WeakPolarHBondContact CD-OG 3.42Å; K230-S301 WeakPolarHBondContact CE-O 3.43Å; K230-S301 VanDerWaalsContact CE-OG 3.26Å; K230-S301 WeakPolarHBondContact CE-OG 3.46Å; C269-S301 WeakPolarHBondContact O-CB 3.42Å; F270-S301 CarbonylContact O-C 3.25Å; F270-S301 PolarHBondContact O-N 3.33Å
302	Y	98.8	Very high	97.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	132.4	-165.1	-74	-2.4	0	0	0	111.8	I30 A32 M233 F270 A280 F300 A305 N335	I30-Y302 PolarHBondContact O-N 3.17Å; A32-Y302 PolarHBondContact N-O 2.91Å; M233-Y302 WeakPolarHBondContact CE-OH 3.13Å; F270-Y302 HydrophobicContact CB-CE1 4.38Å; F270-Y302 VanDerWaalsContact O-CD1 3.22Å; F270-Y302 WeakPolarHBondContact O-CD1 3.48Å; F270-Y302 WeakPolarHBondContact O-CE1 3.17Å; A280-Y302 HydrophobicContact CB-CD2 4.38Å; A280-Y302 HydrophobicContact CB-CE2 3.62Å; A280-Y302 PolarHBondContact O-OH 3.44Å; F300-Y302 HydrophobicContact CB-CD1 3.74Å; F300-Y302 HydrophobicContact CB-CD2 3.76Å; F300-Y302 HydrophobicContact CB-CE1 3.71Å; F300-Y302 HydrophobicContact CB-CE2 3.74Å; F300-Y302 HydrophobicContact CB-CG 3.76Å; F300-Y302 HydrophobicContact CD2-CD2 4.37Å; F300-Y302 HydrophobicContact CD2-CG 4.38Å; F300-Y302 HydrophobicContact CG-CD2 4.32Å; F300-Y302 HydrophobicContact CG-CG 4.49Å; Y302-A305 HydrophobicContact CD2-CB 3.59Å; Y302-A305 HydrophobicContact CE2-CB 4.17Å; Y302-A305 HydrophobicContact CG-CB 3.88Å; Y302-N335 WeakPolarHBondContact CE2-OD1 3.49Å
303	G	97.3	Very high	97.8	Very high	6 Å²	6	26.9 Å²	26.9	6%	0.062	15%	0.149	C	C	.	.	S	Bend	trans	-97.6	-87.8	168.3	0	0	0	0	0	109.5	A32 A305 L306 Q307	A32-G303 WeakPolarHBondContact O-CA 3.23Å; G303-A305 VanDerWaalsContact C-N 3.29Å; G303-A305 PolarHBondContact O-N 2.93Å; G303-L306 PolarHBondContact O-N 3.39Å; G303-Q307 WeakPolarHBondContact O-CB 3.3Å; G303-Q307 WeakPolarHBondContact O-CG 3.27Å; G303-Q307 PolarHBondContact O-N 3.3Å; G303-Q307 VanDerWaalsContact O-N 3.12Å
304	R	94.9	Very high	97.8	Very high	23 Å²	23	20.7 Å²	20.7	9%	0.087	12%	0.12	C	C	.	.	H	α-helix	trans	-52.5	-42.9	-179.2	-61.6	-179	-77.1	-153.4	-21.9	113.1	G273 L306 Q307 A308 L357	G273-R304 PolarHBondContact O-NE 2.69Å; G273-R304 VanDerWaalsContact O-NE 3.16Å; G273-R304 PolarHBondContact O-NH2 3.16Å; R304-L306 PolarHBondContact O-N 2.89Å; R304-L306 VanDerWaalsContact O-N 3.11Å; R304-Q307 PolarHBondContact O-N 2.83Å; R304-Q307 VanDerWaalsContact O-N 3.09Å; R304-A308 WeakPolarHBondContact O-CB 3.45Å; R304-A308 PolarHBondContact O-N 3.48Å; R304-L357 HydrophobicContact CB-CB 4.32Å; R304-L357 HydrophobicContact CB-CD1 3.87Å; R304-L357 PolarHBondContact NH1-O 2.85Å
305	A	96.9	Very high	97.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-68	-7.9	-178.4	0	0	0	0	0	115.5	S272 A280 Y302 G303	S272-A305 VanDerWaalsContact CB-CB 3.48Å; A280-A305 HydrophobicContact CB-CB 3.76Å; Y302-A305 HydrophobicContact CD2-CB 3.59Å; Y302-A305 HydrophobicContact CE2-CB 4.17Å; Y302-A305 HydrophobicContact CG-CB 3.88Å; G303-A305 VanDerWaalsContact C-N 3.29Å; G303-A305 PolarHBondContact O-N 2.93Å
306	L	98.3	Very high	97.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-109.9	-19.4	170	-74.8	175.2	0	0	0	113.2	L31 I74 F300 G303 R304 F328 R331 A332	L31-L306 HydrophobicContact CB-CD1 4.3Å; L31-L306 HydrophobicContact CD1-CB 4.2Å; L31-L306 HydrophobicContact CD1-CD1 4.07Å; I74-L306 HydrophobicContact CD1-CD1 4.29Å; F300-L306 HydrophobicContact CD2-CD1 4.08Å; F300-L306 HydrophobicContact CE2-CD1 3.92Å; G303-L306 PolarHBondContact O-N 3.39Å; R304-L306 PolarHBondContact O-N 2.89Å; R304-L306 VanDerWaalsContact O-N 3.11Å; L306-F328 HydrophobicContact CB-CD2 4.34Å; L306-F328 HydrophobicContact CB-CE2 4.28Å; L306-F328 WeakPolarHBondContact O-CD2 3.34Å; L306-R331 HydrophobicContact CD2-CB 3.92Å; L306-A332 HydrophobicContact CD2-CB 4.32Å
307	Q	98.3	Very high	97.5	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.009	14%	0.144	C	C	.	.	H	α-helix	trans	-113.7	-17.3	-166.1	-66.7	178.1	46.1	0	0	113.8	L31 A32 E35 R43 F59 L63 G303 R304 A310 L311	L31-Q307 HydrophobicContact CD1-CG 4.04Å; A32-Q307 PolarHBondContact O-NE2 3.22Å; E35-Q307 PolarHBondContact OE1-NE2 3.2Å; E35-Q307 VanDerWaalsContact OE1-NE2 3.15Å; R43-Q307 VanDerWaalsContact NH1-CD 3.34Å; F59-Q307 HydrophobicContact CZ-CB 4.33Å; L63-Q307 HydrophobicContact CD1-CG 4Å; G303-Q307 WeakPolarHBondContact O-CB 3.3Å; G303-Q307 WeakPolarHBondContact O-CG 3.27Å; G303-Q307 PolarHBondContact O-N 3.3Å; G303-Q307 VanDerWaalsContact O-N 3.12Å; R304-Q307 PolarHBondContact O-N 2.83Å; R304-Q307 VanDerWaalsContact O-N 3.09Å; Q307-A310 PolarHBondContact O-N 2.97Å; Q307-L311 VanDerWaalsContact O-CB 3.29Å; Q307-L311 WeakPolarHBondContact O-CB 3.45Å; Q307-L311 PolarHBondContact O-N 3.46Å
308	A	97	Very high	97.3	Very high	28 Å²	28	24.6 Å²	24.6	23%	0.231	15%	0.152	C	C	.	.	H	α-helix	trans	-63.4	-49.9	-170.1	0	0	0	0	0	111.9	E277 R304 A310 L311 A312 L357	E277-A308 HydrophobicContact CG-CB 4.02Å; E277-A308 PolarHBondContact OE1-N 3.41Å; E277-A308 VanDerWaalsContact OE1-N 3.14Å; R304-A308 WeakPolarHBondContact O-CB 3.45Å; R304-A308 PolarHBondContact O-N 3.48Å; A308-A310 VanDerWaalsContact C-N 3.34Å; A308-A310 PolarHBondContact O-N 2.91Å; A308-L311 PolarHBondContact O-N 3.18Å; A308-A312 WeakPolarHBondContact O-CB 3.4Å; A308-A312 PolarHBondContact O-N 3.36Å; A308-L357 HydrophobicContact CB-CD1 3.96Å; A308-L357 HydrophobicContact CB-CD2 3.51Å; A308-L357 HydrophobicContact CB-CG 4.41Å
309	S	97.3	Very high	97.3	Very high	24 Å²	24	28.9 Å²	28.9	17%	0.168	19%	0.188	C	C	.	.	H	α-helix	trans	-66.5	-35.6	176	-73.4	0	0	0	0	112.3	E277 A312 A313	E277-S309 PolarHBondContact OE1-N 2.88Å; E277-S309 VanDerWaalsContact OE2-CB 3.25Å; E277-S309 WeakPolarHBondContact OE2-CB 3.33Å; E277-S309 PolarHBondContact OE2-OG 3.45Å; S309-A312 PolarHBondContact O-N 3.3Å; S309-A313 VanDerWaalsContact O-CB 3.31Å; S309-A313 WeakPolarHBondContact O-CB 3.29Å; S309-A313 PolarHBondContact O-N 2.89Å
310	A	97.8	Very high	97.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64	-44.2	176.5	0	0	0	0	0	112	L63 Q307 A308 A313 W314 A324 A327 F328	L63-A310 HydrophobicContact CD2-CB 4.37Å; Q307-A310 PolarHBondContact O-N 2.97Å; A308-A310 VanDerWaalsContact C-N 3.34Å; A308-A310 PolarHBondContact O-N 2.91Å; A310-A313 PolarHBondContact O-N 2.73Å; A310-W314 WeakPolarHBondContact O-CB 3.05Å; A310-W314 PolarHBondContact O-N 2.65Å; A310-A324 WeakPolarHBondContact CB-O 3.36Å; A310-A324 VanDerWaalsContact O-CB 3.24Å; A310-A324 WeakPolarHBondContact O-CB 3.16Å; A310-A327 HydrophobicContact CB-CB 4.41Å; A310-F328 HydrophobicContact CB-CB 3.91Å
311	L	97	Very high	97.1	Very high	15 Å²	15	33.6 Å²	33.6	8%	0.079	21%	0.211	C	C	.	.	H	α-helix	trans	-65.5	-43.4	177.2	-169.5	68.7	0	0	0	111.2	R43 L44 I47 F59 Q307 A308 A313 W314 V315	R43-L311 HydrophobicContact CB-CD2 3.81Å; L44-L311 HydrophobicContact CD2-CD1 4.25Å; I47-L311 HydrophobicContact CD1-CD1 3.6Å; I47-L311 HydrophobicContact CD1-CG 3.77Å; I47-L311 HydrophobicContact CG1-CD1 4.47Å; I47-L311 HydrophobicContact CG1-CG 4.3Å; I47-L311 HydrophobicContact CG2-CG 4.21Å; F59-L311 HydrophobicContact CD1-CD1 4.1Å; F59-L311 HydrophobicContact CD2-CD1 3.82Å; F59-L311 HydrophobicContact CE1-CD1 3.87Å; F59-L311 HydrophobicContact CE2-CB 4.01Å; F59-L311 HydrophobicContact CE2-CD1 3.58Å; F59-L311 HydrophobicContact CE2-CG 4.42Å; F59-L311 HydrophobicContact CG-CD1 4.1Å; F59-L311 HydrophobicContact CZ-CB 3.82Å; F59-L311 HydrophobicContact CZ-CD1 3.61Å; F59-L311 HydrophobicContact CZ-CG 4.29Å; Q307-L311 VanDerWaalsContact O-CB 3.29Å; Q307-L311 WeakPolarHBondContact O-CB 3.45Å; Q307-L311 PolarHBondContact O-N 3.46Å; A308-L311 PolarHBondContact O-N 3.18Å; L311-A313 VanDerWaalsContact C-N 3.32Å; L311-A313 PolarHBondContact O-N 2.98Å; L311-W314 HydrophobicContact CD1-CE3 4.03Å; L311-W314 HydrophobicContact CD1-CZ3 4.37Å; L311-W314 PolarHBondContact O-N 3.34Å; L311-V315 PolarHBondContact O-N 2.59Å; L311-V315 VanDerWaalsContact O-N 3.17Å
312	A	96.8	Very high	97	Very high	61 Å²	61	41.3 Å²	41.3	50%	0.504	24%	0.244	S	C	.	.	H	α-helix	trans	-66.7	-29.7	176.6	0	0	0	0	0	113.4	A308 S309 V315	A308-A312 WeakPolarHBondContact O-CB 3.4Å; A308-A312 PolarHBondContact O-N 3.36Å; S309-A312 PolarHBondContact O-N 3.3Å; A312-V315 VanDerWaalsContact O-CG1 3.3Å; A312-V315 WeakPolarHBondContact O-CG1 3.34Å
313	A	97.5	Very high	97	Very high	29 Å²	29	43.6 Å²	43.6	24%	0.24	26%	0.263	C	S	.	.	H	α-helix	trans	-75.5	-38.1	172.7	0	0	0	0	0	111.7	S309 A310 L311 N320 A323 A324	S309-A313 VanDerWaalsContact O-CB 3.31Å; S309-A313 WeakPolarHBondContact O-CB 3.29Å; S309-A313 PolarHBondContact O-N 2.89Å; A310-A313 PolarHBondContact O-N 2.73Å; L311-A313 VanDerWaalsContact C-N 3.32Å; L311-A313 PolarHBondContact O-N 2.98Å; A313-N320 VanDerWaalsContact O-CB 3.3Å; A313-N320 WeakPolarHBondContact O-CB 3.35Å; A313-N320 PolarHBondContact O-ND2 2.72Å; A313-A323 HydrophobicContact CB-CB 4.32Å; A313-A324 HydrophobicContact CB-CB 4.37Å
314	W	98.2	Very high	97	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.008	26%	0.26	C	S	.	.	H	α-helix	trans	-67.6	-49.9	-176.9	178.2	43.6	0	0	0	113.2	L44 I47 V49 N55 C58 F59 I62 A310 L311 G316 K317 N320 A324	L44-W314 HydrophobicContact CD2-CH2 4.49Å; L44-W314 HydrophobicContact CD2-CZ3 3.77Å; I47-W314 HydrophobicContact CD1-CE3 4.05Å; I47-W314 HydrophobicContact CD1-CZ3 4.38Å; V49-W314 HydrophobicContact CG1-CH2 4.48Å; N55-W314 HydrophobicContact CB-CH2 4.36Å; N55-W314 WeakPolarHBondContact O-CH2 3.46Å; C58-W314 HydrophobicContact CB-CH2 4.35Å; C58-W314 HydrophobicContact CB-CZ2 3.91Å; F59-W314 HydrophobicContact CB-CE3 4.08Å; F59-W314 HydrophobicContact CB-CH2 3.93Å; F59-W314 HydrophobicContact CB-CZ3 3.6Å; F59-W314 HydrophobicContact CD2-CD2 4.14Å; F59-W314 AromaticContact CD2-CE3 3.53Å; F59-W314 HydrophobicContact CD2-CE3 3.53Å; F59-W314 AromaticContact CD2-CZ3 3.94Å; F59-W314 HydrophobicContact CD2-CZ3 3.94Å; F59-W314 HydrophobicContact CE2-CE3 4.35Å; F59-W314 HydrophobicContact CG-CE3 4.07Å; F59-W314 AromaticContact CG-CZ3 3.99Å; F59-W314 HydrophobicContact CG-CZ3 3.99Å; I62-W314 HydrophobicContact CD1-CB 4.41Å; I62-W314 HydrophobicContact CD1-CD2 3.8Å; I62-W314 HydrophobicContact CD1-CG 3.62Å; I62-W314 HydrophobicContact CD1-CZ2 4.44Å; A310-W314 WeakPolarHBondContact O-CB 3.05Å; A310-W314 PolarHBondContact O-N 2.65Å; L311-W314 HydrophobicContact CD1-CE3 4.03Å; L311-W314 HydrophobicContact CD1-CZ3 4.37Å; L311-W314 PolarHBondContact O-N 3.34Å; W314-G316 VanDerWaalsContact CE2-CA 3.5Å; W314-G316 PolarHBondContact O-N 3.16Å; W314-K317 PolarHBondContact O-N 3.42Å; W314-N320 WeakPolarHBondContact O-CB 3.4Å; W314-N320 PolarHBondContact O-ND2 2.53Å; W314-A324 HydrophobicContact CB-CB 3.78Å
315	V	96.3	Very high	97.2	Very high	53 Å²	53	44.6 Å²	44.6	32%	0.321	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.2	30.5	-176	-63.7	0	0	0	0	114.9	I47 L311 A312 K317 N320	I47-V315 HydrophobicContact CB-CG1 4.48Å; L311-V315 PolarHBondContact O-N 2.59Å; L311-V315 VanDerWaalsContact O-N 3.17Å; A312-V315 VanDerWaalsContact O-CG1 3.3Å; A312-V315 WeakPolarHBondContact O-CG1 3.34Å; V315-K317 VanDerWaalsContact C-N 3.28Å; V315-K317 HydrophobicContact CG2-CD 4.13Å; V315-K317 HydrophobicContact CG2-CG 4.25Å; V315-K317 PolarHBondContact O-N 3.22Å; V315-N320 VanDerWaalsContact CG2-ND2 3.3Å; V315-N320 WeakPolarHBondContact CG2-ND2 3.48Å
316	G	95.9	Very high	97.2	Very high	28 Å²	28	50.7 Å²	50.7	29%	0.289	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	12.3	179.3	0	0	0	0	0	115.2	V49 W314	V49-G316 VanDerWaalsContact CG2-CA 3.49Å; W314-G316 VanDerWaalsContact CE2-CA 3.5Å; W314-G316 PolarHBondContact O-N 3.16Å
317	K	95.9	Very high	97.2	Very high	129 Å²	129	51.8 Å²	51.8	56%	0.561	30%	0.304	S	S	*	.			trans	-108.8	126.8	-175.9	-63.8	-178.4	-177.3	-179.2	0	111.4	W314 V315 A319 N320	W314-K317 PolarHBondContact O-N 3.42Å; V315-K317 VanDerWaalsContact C-N 3.28Å; V315-K317 HydrophobicContact CG2-CD 4.13Å; V315-K317 HydrophobicContact CG2-CG 4.25Å; V315-K317 PolarHBondContact O-N 3.22Å; K317-A319 VanDerWaalsContact C-N 3.26Å; K317-A319 PolarHBondContact O-N 2.77Å; K317-N320 HydrophobicContact CB-CB 4.49Å; K317-N320 WeakPolarHBondContact O-CB 3.16Å; K317-N320 PolarHBondContact O-N 3.46Å
318	D	94.5	Very high	97.2	Very high	107 Å²	107	51.8 Å²	51.8	57%	0.572	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-58.7	-36.2	178.4	-78.4	-17.4	0	0	0	113.4	N320 K321	D318-N320 PolarHBondContact O-N 3.37Å; D318-K321 WeakPolarHBondContact O-CB 3.27Å; D318-K321 VanDerWaalsContact O-CG 3.31Å; D318-K321 WeakPolarHBondContact O-CG 3.33Å; D318-K321 PolarHBondContact O-N 3.24Å; D318-K321 VanDerWaalsContact O-N 3.09Å; D318-K321 WeakPolarHBondContact OD1-CE 3.2Å; D318-K321 IonicContact OD1-NZ 3.39Å; D318-K321 PolarHBondContact OD1-NZ 3.32Å
319	A	97.3	Very high	97.2	Very high	96 Å²	96	53.4 Å²	53.4	79%	0.793	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-57.6	-21.2	175.5	0	0	0	0	0	113.3	K317	K317-A319 VanDerWaalsContact C-N 3.26Å; K317-A319 PolarHBondContact O-N 2.77Å
320	N	97.8	Very high	97.2	Very high	49 Å²	49	55.3 Å²	55.3	26%	0.262	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-99.8	2.9	-177.2	-64.5	-12.2	0	0	0	113.7	A313 W314 V315 K317 D318 K322 A323 A324	A313-N320 VanDerWaalsContact O-CB 3.3Å; A313-N320 WeakPolarHBondContact O-CB 3.35Å; A313-N320 PolarHBondContact O-ND2 2.72Å; W314-N320 WeakPolarHBondContact O-CB 3.4Å; W314-N320 PolarHBondContact O-ND2 2.53Å; V315-N320 VanDerWaalsContact CG2-ND2 3.3Å; V315-N320 WeakPolarHBondContact CG2-ND2 3.48Å; K317-N320 HydrophobicContact CB-CB 4.49Å; K317-N320 WeakPolarHBondContact O-CB 3.16Å; K317-N320 PolarHBondContact O-N 3.46Å; D318-N320 PolarHBondContact O-N 3.37Å; N320-K322 VanDerWaalsContact C-N 3.26Å; N320-K322 PolarHBondContact O-N 3.39Å; N320-A323 PolarHBondContact O-N 3.02Å; N320-A323 VanDerWaalsContact O-N 3.14Å; N320-A324 PolarHBondContact O-N 3.06Å
321	K	96.9	Very high	97.2	Very high	53 Å²	53	55.8 Å²	55.8	23%	0.23	32%	0.319	C	S	.	.	H	α-helix	trans	-50.7	-45.9	180	-76.8	-177.6	174.8	174.7	0	111.8	I62 D89 D318 A324 Q325	I62-K321 HydrophobicContact CD1-CG 3.89Å; I62-K321 HydrophobicContact CG1-CB 4.31Å; I62-K321 HydrophobicContact CG1-CD 4.47Å; I62-K321 HydrophobicContact CG1-CG 3.85Å; D89-K321 IonicContact OD2-NZ 3.56Å; D318-K321 WeakPolarHBondContact O-CB 3.27Å; D318-K321 VanDerWaalsContact O-CG 3.31Å; D318-K321 WeakPolarHBondContact O-CG 3.33Å; D318-K321 PolarHBondContact O-N 3.24Å; D318-K321 VanDerWaalsContact O-N 3.09Å; D318-K321 WeakPolarHBondContact OD1-CE 3.2Å; D318-K321 IonicContact OD1-NZ 3.39Å; D318-K321 PolarHBondContact OD1-NZ 3.32Å; K321-A324 PolarHBondContact O-N 2.83Å; K321-Q325 WeakPolarHBondContact O-CG 3.21Å; K321-Q325 PolarHBondContact O-N 2.96Å
322	K	97.1	Very high	97.2	Very high	163 Å²	163	55.1 Å²	55.1	71%	0.709	32%	0.315	S	S	*	.	H	α-helix	trans	-64.7	-43.1	-179.4	-170.9	177.3	179.9	-178.3	0	112.8	N320 A324 Q325 E326	N320-K322 VanDerWaalsContact C-N 3.26Å; N320-K322 PolarHBondContact O-N 3.39Å; K322-A324 VanDerWaalsContact C-N 3.32Å; K322-A324 PolarHBondContact O-N 2.7Å; K322-Q325 PolarHBondContact O-N 3.36Å; K322-E326 PolarHBondContact O-N 3.16Å
323	A	97.8	Very high	97.3	Very high	47 Å²	47	57.9 Å²	57.9	39%	0.388	32%	0.316	S	S	.	.	H	α-helix	trans	-64	-39.2	177.9	0	0	0	0	0	111.6	A313 N320 E326 A327	A313-A323 HydrophobicContact CB-CB 4.32Å; N320-A323 PolarHBondContact O-N 3.02Å; N320-A323 VanDerWaalsContact O-N 3.14Å; A323-E326 PolarHBondContact O-N 2.72Å; A323-A327 PolarHBondContact O-N 3.39Å
324	A	98.1	Very high	97.3	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-65.5	-42.2	175	0	0	0	0	0	112.8	I62 A310 A313 W314 N320 K321 K322 A327 F328	I62-A324 HydrophobicContact CG2-CB 3.69Å; A310-A324 WeakPolarHBondContact CB-O 3.36Å; A310-A324 VanDerWaalsContact O-CB 3.24Å; A310-A324 WeakPolarHBondContact O-CB 3.16Å; A313-A324 HydrophobicContact CB-CB 4.37Å; W314-A324 HydrophobicContact CB-CB 3.78Å; N320-A324 PolarHBondContact O-N 3.06Å; K321-A324 PolarHBondContact O-N 2.83Å; K322-A324 VanDerWaalsContact C-N 3.32Å; K322-A324 PolarHBondContact O-N 2.7Å; A324-A327 PolarHBondContact O-N 2.87Å; A324-F328 PolarHBondContact O-N 3.07Å
325	Q	98.3	Very high	97.4	Very high	50 Å²	50	57.6 Å²	57.6	23%	0.234	31%	0.31	C	S	.	.	H	α-helix	trans	-60.7	-44.5	173.9	-74.4	173.7	-26.5	0	0	111.9	I62 S65 K321 K322 A327 F328 F329	I62-Q325 HydrophobicContact CG2-CG 3.95Å; I62-Q325 VanDerWaalsContact O-CG 3.32Å; I62-Q325 WeakPolarHBondContact O-CG 3.11Å; S65-Q325 PolarHBondContact OG-NE2 3.1Å; K321-Q325 WeakPolarHBondContact O-CG 3.21Å; K321-Q325 PolarHBondContact O-N 2.96Å; K322-Q325 PolarHBondContact O-N 3.36Å; Q325-A327 PolarHBondContact O-N 3.28Å; Q325-F328 PolarHBondContact O-N 3.39Å; Q325-F329 VanDerWaalsContact O-CB 3.27Å; Q325-F329 WeakPolarHBondContact O-CB 3.15Å; Q325-F329 PolarHBondContact O-N 3.32Å
326	E	97.6	Very high	97.5	Very high	129 Å²	129	55.2 Å²	55.2	60%	0.603	30%	0.296	S	S	*	.	H	α-helix	trans	-63.7	-41.1	178.7	-175.7	170.8	-171.9	0	0	112.2	K322 A323 F329 T330	K322-E326 PolarHBondContact O-N 3.16Å; A323-E326 PolarHBondContact O-N 2.72Å; E326-F329 PolarHBondContact O-N 3.39Å; E326-T330 WeakPolarHBondContact O-CB 3.39Å; E326-T330 PolarHBondContact O-N 3.38Å; E326-T330 PolarHBondContact O-OG1 3.05Å
327	A	97.5	Very high	97.6	Very high	22 Å²	22	56.4 Å²	56.4	18%	0.182	30%	0.296	C	S	.	.	H	α-helix	trans	-62.6	-46.7	175	0	0	0	0	0	112	A310 A323 A324 Q325 T330 R331	A310-A327 HydrophobicContact CB-CB 4.41Å; A323-A327 PolarHBondContact O-N 3.39Å; A324-A327 PolarHBondContact O-N 2.87Å; Q325-A327 PolarHBondContact O-N 3.28Å; A327-T330 PolarHBondContact O-N 3.18Å; A327-R331 PolarHBondContact O-N 3.25Å; A327-R331 VanDerWaalsContact O-N 3.13Å
328	F	98.3	Very high	97.7	Very high	3 Å²	3	50.3 Å²	50.3	1%	0.013	27%	0.269	C	S	.	.	H	α-helix	trans	-61.1	-48.2	175	167.1	-118.6	0	0	0	111.8	L31 L63 S66 I70 I74 L306 A310 A324 Q325 T330 R331 A332	L31-F328 HydrophobicContact CD1-CE2 4Å; L31-F328 HydrophobicContact CD2-CE2 4.06Å; L31-F328 HydrophobicContact CD2-CZ 3.83Å; L31-F328 HydrophobicContact CG-CE2 4.48Å; L63-F328 HydrophobicContact CD2-CB 3.95Å; L63-F328 HydrophobicContact CD2-CD1 4.12Å; L63-F328 HydrophobicContact CD2-CD2 3.97Å; L63-F328 HydrophobicContact CD2-CG 3.73Å; S66-F328 WeakPolarHBondContact OG-CD1 3.17Å; I70-F328 HydrophobicContact CD1-CD1 4.39Å; I70-F328 HydrophobicContact CD1-CE1 3.82Å; I70-F328 HydrophobicContact CD1-CZ 4.06Å; I70-F328 HydrophobicContact CG1-CE1 3.79Å; I70-F328 HydrophobicContact CG1-CZ 4.07Å; I74-F328 HydrophobicContact CG1-CZ 4.46Å; L306-F328 HydrophobicContact CB-CD2 4.34Å; L306-F328 HydrophobicContact CB-CE2 4.28Å; L306-F328 WeakPolarHBondContact O-CD2 3.34Å; A310-F328 HydrophobicContact CB-CB 3.91Å; A324-F328 PolarHBondContact O-N 3.07Å; Q325-F328 PolarHBondContact O-N 3.39Å; F328-T330 VanDerWaalsContact C-N 3.29Å; F328-T330 PolarHBondContact O-N 2.93Å; F328-R331 PolarHBondContact O-N 2.84Å; F328-A332 HydrophobicContact CE2-CB 4.5Å; F328-A332 WeakPolarHBondContact O-CB 3.3Å; F328-A332 PolarHBondContact O-N 3.33Å
329	F	97.2	Very high	97.9	Very high	61 Å²	61	45.9 Å²	45.9	27%	0.268	25%	0.247	S	C	.	.	H	α-helix	trans	-57.9	-43.4	179.3	-175.5	-90.8	0	0	0	111.7	D67 S69 I70 Q325 E326 A332 K333	D67-F329 HydrophobicContact CB-CD2 4.49Å; D67-F329 HydrophobicContact CB-CE2 4.38Å; S69-F329 WeakPolarHBondContact OG-CE2 3.33Å; S69-F329 WeakPolarHBondContact OG-CZ 2.92Å; I70-F329 HydrophobicContact CB-CD2 4.39Å; I70-F329 HydrophobicContact CD1-CD2 3.88Å; I70-F329 HydrophobicContact CD1-CE2 4.48Å; Q325-F329 VanDerWaalsContact O-CB 3.27Å; Q325-F329 WeakPolarHBondContact O-CB 3.15Å; Q325-F329 PolarHBondContact O-N 3.32Å; E326-F329 PolarHBondContact O-N 3.39Å; F329-A332 PolarHBondContact O-N 3.19Å; F329-K333 WeakPolarHBondContact O-CB 3.49Å; F329-K333 PolarHBondContact O-N 3.47Å
330	T	97	Very high	98	Very high	64 Å²	64	45.4 Å²	45.4	39%	0.393	23%	0.227	S	C	.	.	H	α-helix	trans	-59.8	-49.1	176.9	-62.3	0	0	0	0	111.3	E326 A327 F328 A332 K333 I334	E326-T330 WeakPolarHBondContact O-CB 3.39Å; E326-T330 PolarHBondContact O-N 3.38Å; E326-T330 PolarHBondContact O-OG1 3.05Å; A327-T330 PolarHBondContact O-N 3.18Å; F328-T330 VanDerWaalsContact C-N 3.29Å; F328-T330 PolarHBondContact O-N 2.93Å; T330-A332 PolarHBondContact O-N 3.44Å; T330-K333 PolarHBondContact O-N 3.31Å; T330-I334 HydrophobicContact CG2-CD1 3.94Å; T330-I334 WeakPolarHBondContact O-CB 3.33Å; T330-I334 VanDerWaalsContact O-CG1 3.31Å; T330-I334 WeakPolarHBondContact O-CG1 3.45Å; T330-I334 PolarHBondContact O-N 3.42Å
331	R	98	Very high	98	Very high	11 Å²	11	43.7 Å²	43.7	4%	0.042	22%	0.221	C	C	.	.	H	α-helix	trans	-64.3	-39	177.7	-66.5	-45.9	-52.5	175.5	1.1	112.3	E277 E278 S281 L306 A327 F328 I334 N335	E277-R331 PolarHBondContact O-NH2 3.49Å; E278-R331 IonicContact OE2-CZ 2.78Å; E278-R331 IonicContact OE2-NH1 3.35Å; E278-R331 PolarHBondContact OE2-NH1 3.16Å; E278-R331 IonicContact OE2-NH2 3.24Å; E278-R331 PolarHBondContact OE2-NH2 2.96Å; S281-R331 PolarHBondContact OG-NH2 3.02Å; L306-R331 HydrophobicContact CD2-CB 3.92Å; A327-R331 PolarHBondContact O-N 3.25Å; A327-R331 VanDerWaalsContact O-N 3.13Å; F328-R331 PolarHBondContact O-N 2.84Å; R331-I334 PolarHBondContact O-N 3.04Å; R331-N335 WeakPolarHBondContact O-CB 3.03Å; R331-N335 PolarHBondContact O-N 3.01Å; R331-N335 PolarHBondContact O-ND2 3.26Å
332	A	98.3	Very high	98.1	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.9	-46.4	176.9	0	0	0	0	0	111.6	I70 S73 I74 L306 F328 F329 T330 I334 N335 G336	I70-A332 HydrophobicContact CD1-CB 3.22Å; I70-A332 HydrophobicContact CG1-CB 4.42Å; S73-A332 VanDerWaalsContact CB-O 3.28Å; S73-A332 WeakPolarHBondContact CB-O 3.41Å; S73-A332 PolarHBondContact OG-O 2.88Å; I74-A332 HydrophobicContact CD1-CB 4.14Å; I74-A332 HydrophobicContact CG1-CB 4.37Å; L306-A332 HydrophobicContact CD2-CB 4.32Å; F328-A332 HydrophobicContact CE2-CB 4.5Å; F328-A332 WeakPolarHBondContact O-CB 3.3Å; F328-A332 PolarHBondContact O-N 3.33Å; F329-A332 PolarHBondContact O-N 3.19Å; T330-A332 PolarHBondContact O-N 3.44Å; A332-I334 PolarHBondContact O-N 2.82Å; A332-N335 PolarHBondContact O-N 3.44Å; A332-G336 PolarHBondContact O-N 2.79Å
333	K	98.1	Very high	98.1	Very high	120 Å²	120	39.2 Å²	39.2	52%	0.522	20%	0.202	S	C	.	.	H	α-helix	trans	-60.5	-45.1	176.7	-174.6	-179.6	179.9	179.9	0	112.1	F329 T330 N335 G336 L337	F329-K333 WeakPolarHBondContact O-CB 3.49Å; F329-K333 PolarHBondContact O-N 3.47Å; T330-K333 PolarHBondContact O-N 3.31Å; K333-N335 PolarHBondContact O-N 3.15Å; K333-G336 PolarHBondContact O-N 3.27Å; K333-L337 WeakPolarHBondContact O-CG 3.48Å; K333-L337 PolarHBondContact O-N 3.35Å
334	I	98.1	Very high	97.8	Very high	24 Å²	24	45.7 Å²	45.7	12%	0.123	22%	0.222	C	C	.	.	H	α-helix	trans	-57.8	-49	176.4	-74.5	171.7	0	0	0	110.5	S281 T330 R331 A332 G336 L337 A338 Y343	S281-I334 WeakPolarHBondContact OG-CG2 3.29Å; T330-I334 HydrophobicContact CG2-CD1 3.94Å; T330-I334 WeakPolarHBondContact O-CB 3.33Å; T330-I334 VanDerWaalsContact O-CG1 3.31Å; T330-I334 WeakPolarHBondContact O-CG1 3.45Å; T330-I334 PolarHBondContact O-N 3.42Å; R331-I334 PolarHBondContact O-N 3.04Å; A332-I334 PolarHBondContact O-N 2.82Å; I334-G336 VanDerWaalsContact C-N 3.33Å; I334-G336 PolarHBondContact O-N 2.89Å; I334-L337 WeakPolarHBondContact O-CB 3.34Å; I334-L337 PolarHBondContact O-N 3.2Å; I334-A338 WeakPolarHBondContact O-CB 3.17Å; I334-A338 PolarHBondContact O-N 3.33Å; I334-Y343 HydrophobicContact CB-CD2 4.38Å; I334-Y343 HydrophobicContact CB-CE2 4.13Å; I334-Y343 HydrophobicContact CD1-CE2 4.23Å; I334-Y343 HydrophobicContact CG1-CD2 4.35Å; I334-Y343 HydrophobicContact CG1-CE2 3.76Å; I334-Y343 HydrophobicContact CG2-CD1 4.14Å; I334-Y343 HydrophobicContact CG2-CD2 3.76Å; I334-Y343 HydrophobicContact CG2-CE1 3.89Å; I334-Y343 HydrophobicContact CG2-CE2 3.52Å; I334-Y343 HydrophobicContact CG2-CG 4.08Å
335	N	98.7	Very high	97.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-68.8	-32.4	-179.4	-78.2	-66.1	0	0	0	112.6	S281 F300 Y302 R331 A332 K333 A338 S339	S281-N335 PolarHBondContact OG-ND2 3.44Å; S281-N335 PolarHBondContact OG-OD1 3.29Å; F300-N335 HydrophobicContact CD1-CB 3.72Å; F300-N335 HydrophobicContact CD2-CB 4.25Å; F300-N335 HydrophobicContact CE1-CB 3.55Å; F300-N335 WeakPolarHBondContact CE1-O 3.42Å; F300-N335 HydrophobicContact CE2-CB 4.09Å; F300-N335 HydrophobicContact CG-CB 4.06Å; F300-N335 HydrophobicContact CZ-CB 3.72Å; Y302-N335 WeakPolarHBondContact CE2-OD1 3.49Å; R331-N335 WeakPolarHBondContact O-CB 3.03Å; R331-N335 PolarHBondContact O-N 3.01Å; R331-N335 PolarHBondContact O-ND2 3.26Å; A332-N335 PolarHBondContact O-N 3.44Å; K333-N335 PolarHBondContact O-N 3.15Å; N335-A338 PolarHBondContact O-N 2.87Å; N335-S339 PolarHBondContact O-N 3.25Å
336	G	98.6	Very high	96	Very high	4 Å²	4	49.8 Å²	49.8	4%	0.041	26%	0.259	C	S	.	.	H	α-helix	trans	-60.8	-42.8	170.4	0	0	0	0	0	112.2	G27 A332 K333 I334 S339	G27-G336 WeakPolarHBondContact O-CA 3.19Å; A332-G336 PolarHBondContact O-N 2.79Å; K333-G336 PolarHBondContact O-N 3.27Å; I334-G336 VanDerWaalsContact C-N 3.33Å; I334-G336 PolarHBondContact O-N 2.89Å; G336-S339 PolarHBondContact O-OG 3.31Å
337	L	98.6	Very high	94.3	Very high	53 Å²	53	50.4 Å²	50.4	28%	0.277	27%	0.272	S	S	.	.	H	α-helix	trans	-66.5	-41.9	172.3	-67.2	170	0	0	0	112.2	K333 I334 S339 K340 G341 E342	K333-L337 WeakPolarHBondContact O-CG 3.48Å; K333-L337 PolarHBondContact O-N 3.35Å; I334-L337 WeakPolarHBondContact O-CB 3.34Å; I334-L337 PolarHBondContact O-N 3.2Å; L337-S339 VanDerWaalsContact C-N 3.31Å; L337-S339 PolarHBondContact O-N 3.41Å; L337-K340 PolarHBondContact O-N 3.38Å; L337-G341 PolarHBondContact O-N 3.2Å; L337-E342 HydrophobicContact CD2-CB 4.31Å; L337-E342 PolarHBondContact O-N 2.92Å
338	A	98.7	Very high	92.4	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-62.6	-37.5	178.8	0	0	0	0	0	112.1	S281 L284 N285 N288 I334 N335 K340 G341	S281-A338 WeakPolarHBondContact O-CB 3.15Å; L284-A338 HydrophobicContact CB-CB 4.18Å; L284-A338 HydrophobicContact CD2-CB 4.01Å; L284-A338 HydrophobicContact CG-CB 4.09Å; N285-A338 WeakPolarHBondContact CA-O 3.11Å; N285-A338 HydrophobicContact CB-CB 3.88Å; N288-A338 PolarHBondContact ND2-O 3.35Å; I334-A338 WeakPolarHBondContact O-CB 3.17Å; I334-A338 PolarHBondContact O-N 3.33Å; N335-A338 PolarHBondContact O-N 2.87Å; A338-K340 PolarHBondContact O-N 3.38Å; A338-K340 VanDerWaalsContact O-N 3.1Å; A338-G341 PolarHBondContact O-N 2.75Å
339	S	98.6	Very high	90.7	Very high	14 Å²	14	56.5 Å²	56.5	10%	0.098	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-15.2	174.3	77.9	0	0	0	0	113.8	G27 N288 N335 G336 L337	G27-S339 WeakPolarHBondContact CA-OG 3.27Å; N288-S339 VanDerWaalsContact CG-O 3.25Å; N288-S339 PolarHBondContact ND2-O 3.06Å; N288-S339 PolarHBondContact OD1-O 3.32Å; N335-S339 PolarHBondContact O-N 3.25Å; G336-S339 PolarHBondContact O-OG 3.31Å; L337-S339 VanDerWaalsContact C-N 3.31Å; L337-S339 PolarHBondContact O-N 3.41Å
340	K	98.4	Very high	89.4	Confident	87 Å²	87	57 Å²	57	38%	0.378	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-3.3	175.3	-58.8	-175.7	-65.5	151.7	0	113.1	L337 A338 E342	L337-K340 PolarHBondContact O-N 3.38Å; A338-K340 PolarHBondContact O-N 3.38Å; A338-K340 VanDerWaalsContact O-N 3.1Å; K340-E342 VanDerWaalsContact C-N 3.25Å; K340-E342 HydrophobicContact CB-CB 4.36Å; K340-E342 HydrophobicContact CB-CG 3.94Å; K340-E342 WeakPolarHBondContact CE-OE2 3.45Å; K340-E342 VanDerWaalsContact NZ-CD 3.31Å; K340-E342 IonicContact NZ-OE1 2.77Å; K340-E342 PolarHBondContact NZ-OE1 3.03Å; K340-E342 IonicContact NZ-OE2 2.73Å; K340-E342 PolarHBondContact NZ-OE2 2.8Å; K340-E342 PolarHBondContact O-N 3.45Å
341	G	98.1	Very high	88.1	Confident	13 Å²	13	62.7 Å²	62.7	13%	0.134	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	21	-172.2	0	0	0	0	0	113.4	N285 Q289 L337 A338	N285-G341 WeakPolarHBondContact OD1-CA 3.34Å; N285-G341 PolarHBondContact OD1-O 3.46Å; Q289-G341 PolarHBondContact NE2-O 3.3Å; L337-G341 PolarHBondContact O-N 3.2Å; A338-G341 PolarHBondContact O-N 2.75Å
342	E	98.1	Very high	86.9	Confident	101 Å²	101	65.1 Å²	65.1	47%	0.472	37%	0.368	S	S	.	.			trans	-108.5	1.2	-175	-66.9	173	-155.7	0	0	113.1	N285 L337 K340 K344	N285-E342 PolarHBondContact OD1-N 3Å; L337-E342 HydrophobicContact CD2-CB 4.31Å; L337-E342 PolarHBondContact O-N 2.92Å; K340-E342 VanDerWaalsContact C-N 3.25Å; K340-E342 HydrophobicContact CB-CB 4.36Å; K340-E342 HydrophobicContact CB-CG 3.94Å; K340-E342 WeakPolarHBondContact CE-OE2 3.45Å; K340-E342 VanDerWaalsContact NZ-CD 3.31Å; K340-E342 IonicContact NZ-OE1 2.77Å; K340-E342 PolarHBondContact NZ-OE1 3.03Å; K340-E342 IonicContact NZ-OE2 2.73Å; K340-E342 PolarHBondContact NZ-OE2 2.8Å; K340-E342 PolarHBondContact O-N 3.45Å; E342-K344 PolarHBondContact O-N 3.19Å
343	Y	97.4	Very high	85.5	Confident	20 Å²	20	65.3 Å²	65.3	8%	0.078	37%	0.369	C	S	.	.			trans	-70.7	125.9	179	178.8	-125.9	0	0	0	110.5	E278 L282 N285 I334 P345	E278-Y343 WeakPolarHBondContact OE1-CE1 3.45Å; E278-Y343 PolarHBondContact OE1-OH 3.48Å; E278-Y343 PolarHBondContact OE2-OH 3.19Å; L282-Y343 HydrophobicContact CD2-CD1 4.44Å; L282-Y343 HydrophobicContact CD2-CE1 4.15Å; N285-Y343 PolarHBondContact ND2-O 3.31Å; N285-Y343 WeakPolarHBondContact OD1-CB 3.15Å; N285-Y343 PolarHBondContact OD1-N 3.49Å; I334-Y343 HydrophobicContact CB-CD2 4.38Å; I334-Y343 HydrophobicContact CB-CE2 4.13Å; I334-Y343 HydrophobicContact CD1-CE2 4.23Å; I334-Y343 HydrophobicContact CG1-CD2 4.35Å; I334-Y343 HydrophobicContact CG1-CE2 3.76Å; I334-Y343 HydrophobicContact CG2-CD1 4.14Å; I334-Y343 HydrophobicContact CG2-CD2 3.76Å; I334-Y343 HydrophobicContact CG2-CE1 3.89Å; I334-Y343 HydrophobicContact CG2-CE2 3.52Å; I334-Y343 HydrophobicContact CG2-CG 4.08Å; Y343-P345 HydrophobicContact CE1-CB 4.15Å
344	K	92.5	Very high	84.6	Confident	183 Å²	183	64.6 Å²	64.6	80%	0.796	37%	0.369	S	S	*	.			trans	-114	112.4	172.7	-62.9	-177.2	-176.9	-179.7	0	107.6	E342 A346	E342-K344 PolarHBondContact O-N 3.19Å; K344-A346 PolarHBondContact O-N 2.66Å
345	P	83.7	Confident	83.6	Confident	65 Å²	65	70 Å²	70	42%	0.422	39%	0.394	S	S	.	.			trans	-63.1	137.4	179.9	24.7	-32.3	0	0	0	110.6	L282 Y343	L282-P345 HydrophobicContact CD2-CB 4.05Å; L282-P345 HydrophobicContact CD2-CG 3.92Å; Y343-P345 HydrophobicContact CE1-CB 4.15Å
346	A	73.8	Confident	82.6	Confident	72 Å²	72	73.1 Å²	73.1	60%	0.595	42%	0.416	S	S	*	.			trans	-70.5	141.9	170.2	0	0	0	0	0	109	K344 P348 A349	K344-A346 PolarHBondContact O-N 2.66Å; A346-P348 CarbonylContact O-C 3.43Å; A346-P348 VanDerWaalsContact O-C 3.22Å; A346-A349 PolarHBondContact O-N 2.53Å; A346-A349 VanDerWaalsContact O-N 3.13Å
347	T	62	Low	82.1	Confident	142 Å²	142	74.2 Å²	74.2	87%	0.871	42%	0.421	S	S	*	.	S	Bend	trans	-110.1	118.2	175.6	-48.6	0	0	0	0	109.6
348	P	59.3	Low	81.5	Confident	118 Å²	118	74 Å²	74	77%	0.766	42%	0.417	S	S	*	.	S	Bend	cis	-80.4	152.2	-6.5	32.8	-32.5	0	0	0	113.2	A346	A346-P348 CarbonylContact O-C 3.43Å; A346-P348 VanDerWaalsContact O-C 3.22Å
349	A	62.3	Low	80.3	Confident	35 Å²	35	76.4 Å²	76.4	29%	0.289	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-68.3	150.5	167.7	0	0	0	0	0	110.3	E278 A346 M354	E278-A349 HydrophobicContact CG-CB 4.21Å; A346-A349 PolarHBondContact O-N 2.53Å; A346-A349 VanDerWaalsContact O-N 3.13Å; A349-M354 HydrophobicContact CB-CG 4.23Å; A349-M354 HydrophobicContact CB-SD 4.24Å
350	S	68.8	Low	79.1	Confident	71 Å²	71	78.6 Å²	78.6	50%	0.497	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-66.1	138	179.7	73.6	0	0	0	0	110.9	A352 A353 M354	S350-A352 PolarHBondContact O-N 2.81Å; S350-A353 PolarHBondContact O-N 3.08Å; S350-A353 VanDerWaalsContact O-N 3.09Å; S350-A353 WeakPolarHBondContact OG-CB 3.06Å; S350-A353 PolarHBondContact OG-N 2.87Å; S350-M354 PolarHBondContact O-N 3.49Å
351	Q	70.3	Confident	78	Confident	184 Å²	184	78.7 Å²	78.7	86%	0.86	46%	0.461	S	S	*	.	H	α-helix	trans	-57.2	-35	180	-73.7	-178.7	-8.4	0	0	112.5	M354 Q355	Q351-M354 PolarHBondContact O-N 3.13Å; Q351-Q355 PolarHBondContact O-N 3.49Å
352	A	71.9	Confident	76.8	Confident	62 Å²	62	78.8 Å²	78.8	51%	0.512	46%	0.458	S	S	.	.	H	α-helix	trans	-62.7	-41.4	177	0	0	0	0	0	112.7	S350 M354 Q355	S350-A352 PolarHBondContact O-N 2.81Å; A352-M354 VanDerWaalsContact C-N 3.26Å; A352-M354 PolarHBondContact O-N 3.34Å; A352-Q355 PolarHBondContact O-N 3.16Å
353	A	69.9	Low	75.4	Confident	3 Å²	3	77.3 Å²	77.3	3%	0.025	46%	0.456	C	S	.	.	H	α-helix	trans	-71.2	-23	-179.9	0	0	0	0	0	112.9	S276 E277 E278 S350	S276-A353 WeakPolarHBondContact CB-O 3.37Å; S276-A353 PolarHBondContact OG-O 2.88Å; E277-A353 HydrophobicContact CB-CB 4.43Å; E277-A353 PolarHBondContact N-O 3.39Å; E278-A353 HydrophobicContact CB-CB 4.12Å; E278-A353 WeakPolarHBondContact CB-O 3.46Å; E278-A353 PolarHBondContact N-O 3.08Å; S350-A353 PolarHBondContact O-N 3.08Å; S350-A353 VanDerWaalsContact O-N 3.09Å; S350-A353 WeakPolarHBondContact OG-CB 3.06Å; S350-A353 PolarHBondContact OG-N 2.87Å
354	M	78.9	Confident	73.4	Confident	105 Å²	105	78.6 Å²	78.6	52%	0.517	46%	0.461	S	S	.	.	H	α-helix	trans	-84	-12.4	179.3	-68.2	-64.2	-66.2	0	0	113.6	S276 E278 A349 S350 Q351 A352 S356	S276-M354 WeakPolarHBondContact CB-O 3.3Å; E278-M354 HydrophobicContact CB-SD 3.65Å; E278-M354 HydrophobicContact CG-SD 3.57Å; E278-M354 VanDerWaalsContact CG-SD 3.57Å; A349-M354 HydrophobicContact CB-CG 4.23Å; A349-M354 HydrophobicContact CB-SD 4.24Å; S350-M354 PolarHBondContact O-N 3.49Å; Q351-M354 PolarHBondContact O-N 3.13Å; A352-M354 VanDerWaalsContact C-N 3.26Å; A352-M354 PolarHBondContact O-N 3.34Å; M354-S356 PolarHBondContact O-N 3.22Å
355	Q	76.5	Confident	72.4	Confident	139 Å²	139	73.4 Å²	73.4	65%	0.65	44%	0.444	S	S	*	.	S	Bend	trans	-67.1	127.8	-177.1	-171.1	175.7	4.1	0	0	111.2	S276 Q351 A352 L357	S276-Q355 WeakPolarHBondContact CA-O 3.4Å; S276-Q355 WeakPolarHBondContact CB-O 3.44Å; Q351-Q355 PolarHBondContact O-N 3.49Å; A352-Q355 PolarHBondContact O-N 3.16Å; Q355-L357 PolarHBondContact O-N 2.59Å
356	S	79.2	Confident	71.8	Confident	65 Å²	65	73.8 Å²	73.8	46%	0.455	45%	0.445	S	S	.	.			trans	-56.3	133	175.2	176.1	0	0	0	0	110.9	M354 Y358	M354-S356 PolarHBondContact O-N 3.22Å; S356-Y358 WeakPolarHBondContact OG-CB 3.39Å; S356-Y358 PolarHBondContact OG-N 2.9Å
357	L	87.6	Confident	71.7	Confident	27 Å²	27	73.9 Å²	73.9	14%	0.141	44%	0.437	C	S	.	.			trans	-100.5	7	179.3	-62.7	170.2	0	0	0	111.9	G274 Q275 E277 R304 A308 Q355	G274-L357 CarbonylContact O-C 3.48Å; G274-L357 PolarHBondContact O-N 3.13Å; G274-L357 VanDerWaalsContact O-N 3.1Å; Q275-L357 WeakPolarHBondContact O-CB 3.37Å; Q275-L357 WeakPolarHBondContact O-CD1 3.5Å; E277-L357 HydrophobicContact CG-CD1 3.95Å; R304-L357 HydrophobicContact CB-CB 4.32Å; R304-L357 HydrophobicContact CB-CD1 3.87Å; R304-L357 PolarHBondContact NH1-O 2.85Å; A308-L357 HydrophobicContact CB-CD1 3.96Å; A308-L357 HydrophobicContact CB-CD2 3.51Å; A308-L357 HydrophobicContact CB-CG 4.41Å; Q355-L357 PolarHBondContact O-N 2.59Å
358	Y	85.9	Confident	72.3	Confident	49 Å²	49	69.9 Å²	69.9	19%	0.192	41%	0.411	C	S	.	.			trans	-60	148.8	-177.5	177.4	-103.3	0	0	0	112.5	P193 D194 H238 G274 S356 A360	P193-Y358 HydrophobicContact CG-CD2 4.33Å; P193-Y358 HydrophobicContact CG-CE2 4.19Å; D194-Y358 VanDerWaalsContact CG-OH 3.22Å; D194-Y358 PolarHBondContact OD1-OH 3.2Å; H238-Y358 HydrophobicContact CB-CD2 4.27Å; H238-Y358 HydrophobicContact CB-CE1 4.37Å; H238-Y358 HydrophobicContact CB-CE2 3.93Å; H238-Y358 AromaticContact CD2-CD1 3.34Å; H238-Y358 WeakPolarHBondContact CD2-CD1 3.19Å; H238-Y358 AromaticContact CD2-CE1 3.27Å; H238-Y358 WeakPolarHBondContact CD2-CE1 3.04Å; H238-Y358 AromaticContact CD2-CG 3.87Å; H238-Y358 AromaticContact CD2-CZ 3.76Å; H238-Y358 AromaticContact CE1-CD1 3.67Å; H238-Y358 AromaticContact CE1-CG 3.67Å; H238-Y358 AromaticContact CG-CD1 3.76Å; H238-Y358 AromaticContact CG-CD2 3.92Å; H238-Y358 AromaticContact CG-CE1 3.78Å; H238-Y358 AromaticContact CG-CE2 3.94Å; H238-Y358 AromaticContact CG-CG 3.8Å; H238-Y358 AromaticContact CG-CZ 3.84Å; H238-Y358 AromaticContact ND1-CD1 3.95Å; H238-Y358 AromaticContact ND1-CD2 3.98Å; H238-Y358 AromaticContact ND1-CG 3.68Å; H238-Y358 AromaticContact NE2-CD1 3.27Å; H238-Y358 VanDerWaalsContact NE2-CD1 3.27Å; H238-Y358 WeakPolarHBondContact NE2-CD1 3.32Å; H238-Y358 AromaticContact NE2-CE1 3.72Å; H238-Y358 AromaticContact NE2-CG 3.77Å; G274-Y358 PolarHBondContact O-N 3.39Å; S356-Y358 WeakPolarHBondContact OG-CB 3.39Å; S356-Y358 PolarHBondContact OG-N 2.9Å; Y358-A360 HydrophobicContact CE1-CB 3.99Å
359	T	73.1	Confident	73.1	Confident	49 Å²	49	66.9 Å²	66.9	30%	0.301	39%	0.389	S	S	.	.			trans	-149.1	119.6	171.8	-59	0	0	0	0	105.4	Y362	T359-Y362 HydrophobicContact CG2-CD2 4.11Å; T359-Y362 WeakPolarHBondContact O-CB 3.49Å; T359-Y362 PolarHBondContact O-N 2.78Å
360	A	73.2	Confident	73.8	Confident	60 Å²	60	69 Å²	69	50%	0.496	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	140.1	-178.8	0	0	0	0	0	110.7	D194 Y358 Y362	D194-A360 WeakPolarHBondContact OD1-CA 3.5Å; Y358-A360 HydrophobicContact CE1-CB 3.99Å; A360-Y362 VanDerWaalsContact C-N 3.3Å; A360-Y362 PolarHBondContact O-N 3.35Å
361	S	76.8	Confident	74.2	Confident	89 Å²	89	68.9 Å²	68.9	62%	0.622	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	47.4	179.1	-55.2	0	0	0	0	112.5	D194 V363	D194-S361 PolarHBondContact OD1-N 3.37Å; S361-V363 PolarHBondContact O-N 2.93Å
362	Y	71.6	Confident	74.5	Confident	16 Å²	16	60 Å²	60	6%	0.063	35%	0.352	C	S	.	.			trans	-65.2	120.7	-175.1	-170.1	-103.3	0	0	0	112.5	T39 R149 T359 A360 Y364	T39-Y362 WeakPolarHBondContact CG2-OH 3.45Å; R149-Y362 PolarHBondContact NH2-O 3.27Å; T359-Y362 HydrophobicContact CG2-CD2 4.11Å; T359-Y362 WeakPolarHBondContact O-CB 3.49Å; T359-Y362 PolarHBondContact O-N 2.78Å; A360-Y362 VanDerWaalsContact C-N 3.3Å; A360-Y362 PolarHBondContact O-N 3.35Å; Y362-Y364 HydrophobicContact CD1-CD2 4.21Å; Y362-Y364 HydrophobicContact CD1-CE2 4.07Å; Y362-Y364 HydrophobicContact CE1-CD1 4.32Å; Y362-Y364 AromaticContact CE1-CD2 3.97Å; Y362-Y364 HydrophobicContact CE1-CD2 3.97Å; Y362-Y364 HydrophobicContact CE1-CE1 4.17Å; Y362-Y364 AromaticContact CE1-CE2 3.82Å; Y362-Y364 HydrophobicContact CE1-CE2 3.82Å; Y362-Y364 HydrophobicContact CE1-CG 4.25Å; Y362-Y364 AromaticContact CE1-CZ 3.94Å
363	V	68.2	Low	74.7	Confident	70 Å²	70	59.8 Å²	59.8	42%	0.424	34%	0.339	S	S	.	.			trans	-117.4	131.9	175.7	-174.2	0	0	0	0	109.6	S361	S361-V363 PolarHBondContact O-N 2.93Å
364	Y	55.2	Low	75.1	Confident	46 Å²	46	65 Å²	65	18%	0.18	37%	0.367	C	S	.	.			trans	-77.5	0	179.8	-82.2	-93.8	0	0	0	114	S36 T39 Y362	S36-Y364 WeakPolarHBondContact CB-OXT 3.43Å; S36-Y364 PolarHBondContact OG-OXT 3.4Å; T39-Y364 WeakPolarHBondContact CB-OXT 3.27Å; T39-Y364 VanDerWaalsContact OG1-CA 3.24Å; T39-Y364 WeakPolarHBondContact OG1-CA 3.47Å; T39-Y364 PolarHBondContact OG1-OXT 2.97Å; Y362-Y364 HydrophobicContact CD1-CD2 4.21Å; Y362-Y364 HydrophobicContact CD1-CE2 4.07Å; Y362-Y364 HydrophobicContact CE1-CD1 4.32Å; Y362-Y364 AromaticContact CE1-CD2 3.97Å; Y362-Y364 HydrophobicContact CE1-CD2 3.97Å; Y362-Y364 HydrophobicContact CE1-CE1 4.17Å; Y362-Y364 AromaticContact CE1-CE2 3.82Å; Y362-Y364 HydrophobicContact CE1-CE2 3.82Å; Y362-Y364 HydrophobicContact CE1-CG 4.25Å; Y362-Y364 AromaticContact CE1-CZ 3.94Å

Retrieved 364 of 364 residues in 301.3 ms (Link to these results)

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