A0A087XVK6_POEFO Loading...

4-hydroxy-2-oxoglutarate aldolase, mitochondrial

Catalyzes the final step in the metabolic pathway of hydroxyproline.

AlphaFold DB , UniProt , Accession A0A087XVK6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 323 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	41	Very low	34.4	Very low	245 Å²	245	167.6 Å²	167.6	100%	1.207	87%	0.874	S	S	*	*				0	97.1	0	-89.6	172.4	164.3	0	0	108.3
2	L	34.4	Very low	34.7	Very low	176 Å²	176	164.6 Å²	164.6	92%	0.921	87%	0.868	S	S	*	*			trans	-77.3	133.8	177.5	-92.6	89.5	0	0	0	110.2
3	C	30.6	Very low	34.6	Very low	116 Å²	116	170.8 Å²	170.8	78%	0.784	87%	0.872	S	S	*	*			trans	-84.1	115.3	177	-165.5	0	0	0	0	109.5
4	V	33.4	Very low	34.3	Very low	127 Å²	127	174.2 Å²	174.2	77%	0.77	87%	0.871	S	S	*	*			trans	-99.9	112.2	169.9	178.9	0	0	0	0	107.4	V6	V4-V6 HydrophobicContact CG1-CG2 4.48Å
5	R	34.7	Very low	34.2	Very low	224 Å²	224	178.2 Å²	178.2	85%	0.845	87%	0.872	S	S	*	*			trans	-92.9	112.4	169.2	-83.9	-176.1	172.4	-175.1	-1.9	109.3
6	V	34.7	Very low	34.2	Very low	124 Å²	124	174.3 Å²	174.3	75%	0.752	87%	0.865	S	S	*	*	P	Polyproline II helix	trans	-78.4	128.3	173.2	177.5	0	0	0	0	108.9	V4	V4-V6 HydrophobicContact CG1-CG2 4.48Å
7	W	32.4	Very low	34	Very low	245 Å²	245	177.2 Å²	177.2	93%	0.928	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-79.7	120.4	172.2	-79.3	71.3	0	0	0	110.2
8	T	35.1	Very low	34	Very low	132 Å²	132	180.5 Å²	180.5	81%	0.81	87%	0.865	S	S	*	*	P	Polyproline II helix	trans	-83.9	126.1	172.1	20.7	0	0	0	0	111	C10	T8-C10 PolarHBondContact O-N 3.03Å
9	R	34.2	Very low	34.1	Very low	250 Å²	250	182.5 Å²	182.5	94%	0.943	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-66.3	121.5	173.1	-76.7	176.1	166	-172.3	-4.4	110.8
10	C	35.7	Very low	34.2	Very low	128 Å²	128	181.1 Å²	181.1	87%	0.865	86%	0.861	S	S	*	*			trans	-83.1	111.5	161.5	-83.3	0	0	0	0	109.5	T8	T8-C10 PolarHBondContact O-N 3.03Å
11	G	32.3	Very low	34.3	Very low	77 Å²	77	178.9 Å²	178.9	79%	0.794	86%	0.859	S	S	*	*			trans	-80.7	119	171.5	0	0	0	0	0	111
12	V	37.8	Very low	34.2	Very low	131 Å²	131	172 Å²	172	79%	0.794	84%	0.835	S	S	*	*			trans	-88.7	115.8	169.2	179.4	0	0	0	0	108.1	Y14	V12-Y14 PolarHBondContact O-N 3.39Å
13	R	32.8	Very low	34.3	Very low	245 Å²	245	172.1 Å²	172.1	93%	0.925	83%	0.83	S	S	*	*			trans	-76.9	111.4	172.8	-81.5	-179.6	169	-175.5	-3.2	109.7
14	Y	31.6	Very low	34.6	Very low	219 Å²	219	177 Å²	177	86%	0.859	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-75.7	122.3	168.5	-123.7	-97.9	0	0	0	109.7	V12	V12-Y14 PolarHBondContact O-N 3.39Å
15	R	32.4	Very low	34.8	Very low	234 Å²	234	175.2 Å²	175.2	88%	0.883	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-91.6	124	164.7	-92.3	-172	171.8	-142.2	0.5	108.3	W17	R15-W17 PolarHBondContact O-N 3.13Å
16	P	33.5	Very low	35.4	Very low	116 Å²	116	168.8 Å²	168.8	75%	0.753	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-77.7	127.3	174	29.9	-28.9	0	0	0	109.6	R18	P16-R18 PolarHBondContact O-N 3.13Å
17	W	30.6	Very low	36.7	Very low	224 Å²	224	167.9 Å²	167.9	85%	0.848	84%	0.837	S	S	*	*			trans	-71.7	115.4	170.8	-133.2	73.6	0	0	0	108.2	R15 R19	R15-W17 PolarHBondContact O-N 3.13Å; W17-R19 HydrophobicContact CE3-CG 4.01Å; W17-R19 HydrophobicContact CZ3-CG 4.09Å; W17-R19 PolarHBondContact O-N 3.24Å
18	R	34.1	Very low	38.9	Very low	236 Å²	236	161.4 Å²	161.4	89%	0.891	81%	0.812	S	S	*	*			trans	-78.3	113.5	172.9	-76.7	-177	175.8	-109.6	2	108.8	P16	P16-R18 PolarHBondContact O-N 3.13Å
19	R	36.8	Very low	41.6	Very low	219 Å²	219	157 Å²	157	83%	0.826	78%	0.784	S	S	*	*			trans	-95.5	109.6	160.2	-85.3	-177.1	167.1	-179.8	-4.7	108.5	W17	W17-R19 HydrophobicContact CE3-CG 4.01Å; W17-R19 HydrophobicContact CZ3-CG 4.09Å; W17-R19 PolarHBondContact O-N 3.24Å
20	N	35.2	Very low	44.6	Very low	153 Å²	153	148.1 Å²	148.1	82%	0.818	76%	0.755	S	S	*	*			trans	-98.2	121.2	150.1	-90.8	-5.3	0	0	0	106.1
21	V	36.3	Very low	47.6	Very low	136 Å²	136	142 Å²	142	82%	0.824	71%	0.714	S	S	*	*				-165.7	130.3	118.2	174.2	0	0	0	0	106.8
22	S	40.6	Very low	50.8	Low	101 Å²	101	139.2 Å²	139.2	71%	0.706	68%	0.682	S	S	*	*			trans	-72.6	128.1	175.8	58.5	0	0	0	0	112.5
23	H	35.8	Very low	53.7	Low	177 Å²	177	133.1 Å²	133.1	82%	0.819	65%	0.646	S	S	*	*				-130.9	128.4	129.5	-79.3	-77.7	0	0	0	104.6	A25	H23-A25 PolarHBondContact O-N 3.36Å
24	K	35.6	Very low	56.8	Low	219 Å²	219	121.4 Å²	121.4	95%	0.952	60%	0.602	S	S	*	*			trans	-65.2	89.4	165.6	-86.7	-176.6	174.1	-179.7	0	105.8	A26	K24-A26 PolarHBondContact O-N 2.94Å
25	A	39.6	Very low	60	Low	89 Å²	89	111 Å²	111	74%	0.736	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-58.2	123	170	0	0	0	0	0	106.4	H23 A27	H23-A25 PolarHBondContact O-N 3.36Å; A25-A27 PolarHBondContact O-N 3.38Å
26	A	47.2	Very low	63.2	Low	90 Å²	90	99.9 Å²	99.9	74%	0.744	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-49.9	131.6	158.4	0	0	0	0	0	106.5	K24 R28	K24-A26 PolarHBondContact O-N 2.94Å; A26-R28 PolarHBondContact O-N 2.92Å
27	A	60.4	Low	66.3	Low	104 Å²	104	94.3 Å²	94.3	86%	0.86	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-56.2	117	180	0	0	0	0	0	107.9	A25	A25-A27 PolarHBondContact O-N 3.38Å
28	R	78.5	Confident	69.5	Low	109 Å²	109	84 Å²	84	41%	0.411	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-66.1	141.8	-179.8	-166	155.7	173	-152.8	2.4	108.4	A26 D30 P186 L189 D212	A26-R28 PolarHBondContact O-N 2.92Å; R28-D30 PolarHBondContact O-N 3.23Å; R28-P186 PolarHBondContact NH2-O 3.21Å; R28-L189 HydrophobicContact CG-CD2 3.95Å; R28-D212 WeakPolarHBondContact CD-OD2 3.36Å; R28-D212 IonicContact CZ-OD2 3Å; R28-D212 VanDerWaalsContact CZ-OD2 3.29Å; R28-D212 IonicContact NE-OD2 3.75Å; R28-D212 PolarHBondContact NE-OD2 2.95Å; R28-D212 VanDerWaalsContact NH1-CB 3.27Å; R28-D212 IonicContact NH1-OD2 3.81Å; R28-D212 PolarHBondContact NH1-OD2 3Å
29	L	93.4	Very high	72.6	Confident	39 Å²	39	72.9 Å²	72.9	20%	0.204	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-62.6	122.3	-175.3	-178.7	151.3	0	0	0	110.1	L31 L101 D127 L189	L29-L31 HydrophobicContact CD2-CD2 3.38Å; L29-L31 HydrophobicContact CD2-CG 4.02Å; L29-L101 HydrophobicContact CD1-CD1 4.31Å; L29-L101 HydrophobicContact CD1-CD2 3.66Å; L29-L101 HydrophobicContact CD2-CD1 3.7Å; L29-L101 HydrophobicContact CG-CD1 3.9Å; L29-L101 HydrophobicContact CG-CD2 3.92Å; L29-D127 HydrophobicContact CD1-CB 3.75Å; L29-L189 HydrophobicContact CB-CD1 4.04Å; L29-L189 HydrophobicContact CD2-CD1 3.88Å
30	D	97.2	Very high	75.6	Confident	65 Å²	65	62.6 Å²	62.6	35%	0.348	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-90.8	121.1	177	164.9	37.6	0	0	0	110	R28 S32 K66 L101 Q214	R28-D30 PolarHBondContact O-N 3.23Å; D30-S32 VanDerWaalsContact OD1-CB 3.3Å; D30-S32 WeakPolarHBondContact OD1-CB 3.18Å; D30-S32 PolarHBondContact OD1-N 3.37Å; D30-S32 PolarHBondContact OD1-OG 2.87Å; D30-S32 VanDerWaalsContact OD1-OG 3.11Å; D30-S32 PolarHBondContact OD2-OG 3.05Å; D30-K66 WeakPolarHBondContact O-CE 3.42Å; D30-K66 PolarHBondContact O-NZ 3.39Å; D30-K66 IonicContact OD2-NZ 3.22Å; D30-K66 PolarHBondContact OD2-NZ 2.74Å; D30-L101 WeakPolarHBondContact O-CD1 3.42Å; D30-Q214 PolarHBondContact OD1-NE2 3.42Å
31	L	98.4	Very high	78.6	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	33%	0.326	C	S	.	.			trans	-84.1	-6.8	-179.9	-62.1	174.3	0	0	0	114.1	L29 G33 Y35 L103 V162 L189 Q214 L216	L29-L31 HydrophobicContact CD2-CD2 3.38Å; L29-L31 HydrophobicContact CD2-CG 4.02Å; L31-G33 PolarHBondContact O-N 3.33Å; L31-Y35 VanDerWaalsContact C-OH 3.27Å; L31-Y35 WeakPolarHBondContact CA-OH 3.45Å; L31-Y35 VanDerWaalsContact O-CE2 3.25Å; L31-Y35 WeakPolarHBondContact O-CE2 3.35Å; L31-Y35 PolarHBondContact O-OH 3.15Å; L31-L103 HydrophobicContact CD2-CD2 4.32Å; L31-V162 HydrophobicContact CD1-CG2 3.8Å; L31-V162 HydrophobicContact CD2-CG2 4.14Å; L31-L189 HydrophobicContact CD1-CB 3.83Å; L31-Q214 HydrophobicContact CB-CB 4.3Å; L31-Q214 VanDerWaalsContact CB-OE1 3.29Å; L31-Q214 HydrophobicContact CD1-CB 4.29Å; L31-L216 HydrophobicContact CB-CD1 4.4Å; L31-L216 HydrophobicContact CB-CD2 4.48Å
32	S	98.4	Very high	81.5	Confident	17 Å²	17	49.7 Å²	49.7	12%	0.119	29%	0.29	C	S	.	.			trans	-62.3	131.3	-173.5	75.6	0	0	0	0	112.6	D30 K66 V232	D30-S32 VanDerWaalsContact OD1-CB 3.3Å; D30-S32 WeakPolarHBondContact OD1-CB 3.18Å; D30-S32 PolarHBondContact OD1-N 3.37Å; D30-S32 PolarHBondContact OD1-OG 2.87Å; D30-S32 VanDerWaalsContact OD1-OG 3.11Å; D30-S32 PolarHBondContact OD2-OG 3.05Å; S32-K66 VanDerWaalsContact O-CD 3.31Å; S32-K66 WeakPolarHBondContact O-CD 3.39Å; S32-K66 VanDerWaalsContact O-CG 3.23Å; S32-K66 WeakPolarHBondContact O-CG 3.39Å; S32-V232 VanDerWaalsContact CA-O 3.3Å; S32-V232 WeakPolarHBondContact CA-O 3.34Å; S32-V232 WeakPolarHBondContact CB-O 3.34Å
33	G	98.6	Very high	84.3	Confident	3 Å²	3	47.1 Å²	47.1	3%	0.031	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	134.5	-177.6	-178.2	0	0	0	0	0	116	L31 Y35 V232 G233 G234 E250	L31-G33 PolarHBondContact O-N 3.33Å; G33-Y35 WeakPolarHBondContact O-CE2 3.36Å; G33-V232 PolarHBondContact N-O 3.3Å; G33-V232 VanDerWaalsContact N-O 3.11Å; G33-G233 CarbonylContact O-C 3.59Å; G33-G233 WeakPolarHBondContact O-CA 3.31Å; G33-G234 PolarHBondContact O-N 3.08Å; G33-E250 VanDerWaalsContact CA-OE1 3.29Å; G33-E250 WeakPolarHBondContact CA-OE1 3.49Å
34	I	98.9	Very high	87.1	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	138.6	177.5	-56.9	-54.8	0	0	0	111.7	F65 K66 L223 G234 A239 L246 E250	I34-F65 HydrophobicContact CB-CD1 4.21Å; I34-F65 HydrophobicContact CG2-CD1 3.87Å; I34-F65 HydrophobicContact CG2-CE1 3.93Å; I34-F65 WeakPolarHBondContact O-CA 3.42Å; I34-K66 PolarHBondContact O-N 3.49Å; I34-L223 HydrophobicContact CD1-CD1 4.42Å; I34-L223 HydrophobicContact CD1-CD2 3.8Å; I34-G234 WeakPolarHBondContact CA-O 3.4Å; I34-A239 HydrophobicContact CG2-CB 4.15Å; I34-L246 HydrophobicContact CG2-CB 4.22Å; I34-E250 HydrophobicContact CD1-CB 4.14Å; I34-E250 HydrophobicContact CG1-CB 3.96Å
35	Y	98.9	Very high	89.9	Confident	0 Å²	0	42 Å²	42	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	126.1	174.9	-51.4	-107.1	0	0	0	109.8	L31 G33 P37 K66 G67 V69 L101 L103 L216 G234 V235 C236	L31-Y35 VanDerWaalsContact C-OH 3.27Å; L31-Y35 WeakPolarHBondContact CA-OH 3.45Å; L31-Y35 VanDerWaalsContact O-CE2 3.25Å; L31-Y35 WeakPolarHBondContact O-CE2 3.35Å; L31-Y35 PolarHBondContact O-OH 3.15Å; G33-Y35 WeakPolarHBondContact O-CE2 3.36Å; Y35-P37 WeakPolarHBondContact O-CD 3.44Å; Y35-K66 HydrophobicContact CE1-CB 4.11Å; Y35-K66 HydrophobicContact CE1-CG 3.94Å; Y35-K66 HydrophobicContact CE2-CB 4.1Å; Y35-K66 HydrophobicContact CE2-CG 4.14Å; Y35-K66 VanDerWaalsContact CZ-CG 3.46Å; Y35-K66 WeakPolarHBondContact OH-CG 3.49Å; Y35-G67 WeakPolarHBondContact CD1-O 3.45Å; Y35-V69 HydrophobicContact CD1-CG2 4.44Å; Y35-V69 HydrophobicContact CG-CG2 4.36Å; Y35-L101 HydrophobicContact CE1-CB 4.21Å; Y35-L103 HydrophobicContact CD1-CD1 4.27Å; Y35-L103 HydrophobicContact CD1-CD2 4.39Å; Y35-L103 HydrophobicContact CE1-CD1 3.71Å; Y35-L103 HydrophobicContact CE1-CD2 4.18Å; Y35-L216 HydrophobicContact CE2-CD1 4.24Å; Y35-G234 PolarHBondContact N-O 3.16Å; Y35-V235 HydrophobicContact CD2-CG2 4.24Å; Y35-V235 HydrophobicContact CG-CG2 4.46Å; Y35-V235 CarbonylContact O-C 3.59Å; Y35-V235 VanDerWaalsContact O-CA 3.29Å; Y35-V235 WeakPolarHBondContact O-CA 3.5Å; Y35-C236 PolarHBondContact O-N 3.05Å
36	P	98.9	Very high	92.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	25%	0.25	C	S	.	.			trans	-74	127.5	160.1	31.1	-33.6	0	0	0	109.4	I38 F65 L68 V69 A239	P36-I38 HydrophobicContact CB-CG2 4.26Å; P36-I38 HydrophobicContact CG-CG2 4.08Å; P36-I38 PolarHBondContact O-N 3.22Å; P36-F65 HydrophobicContact CB-CZ 4.49Å; P36-F65 HydrophobicContact CG-CD2 3.89Å; P36-F65 HydrophobicContact CG-CE2 3.66Å; P36-F65 HydrophobicContact CG-CG 4.4Å; P36-F65 HydrophobicContact CG-CZ 3.98Å; P36-L68 HydrophobicContact CG-CD2 3.5Å; P36-L68 VanDerWaalsContact CG-CD2 3.5Å; P36-V69 PolarHBondContact O-N 3.26Å; P36-A239 HydrophobicContact CB-CB 4.04Å
37	P	98.8	Very high	95.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-73.3	98.4	159.2	31.1	-28.6	0	0	0	107.6	Y35 V69 N74 V235 C236 A237 N240	Y35-P37 WeakPolarHBondContact O-CD 3.44Å; P37-V69 CarbonylContact C-O 3.57Å; P37-V69 VanDerWaalsContact CA-O 3.29Å; P37-V69 WeakPolarHBondContact CA-O 3.45Å; P37-V69 HydrophobicContact CB-CB 4.18Å; P37-V69 HydrophobicContact CB-CG1 4.11Å; P37-N74 HydrophobicContact CB-CB 4.36Å; P37-N74 HydrophobicContact CG-CB 4.37Å; P37-N74 WeakPolarHBondContact CG-ND2 3.26Å; P37-V235 HydrophobicContact CB-CG1 3.93Å; P37-V235 HydrophobicContact CG-CG1 3.95Å; P37-C236 WeakPolarHBondContact CD-O 3.38Å; P37-A237 HydrophobicContact CG-CB 4.4Å; P37-N240 PolarHBondContact O-ND2 2.81Å
38	I	98.8	Very high	96.9	Very high	7 Å²	7	37.5 Å²	37.5	4%	0.036	20%	0.201	C	C	.	.			trans	-69.3	141.3	-168.9	66.3	175.4	0	0	0	111.6	P36 L53 L57 Y60 L68 V69 V70 G75 V92 N240	P36-I38 HydrophobicContact CB-CG2 4.26Å; P36-I38 HydrophobicContact CG-CG2 4.08Å; P36-I38 PolarHBondContact O-N 3.22Å; I38-L53 HydrophobicContact CD1-CD1 4Å; I38-L57 HydrophobicContact CD1-CD2 4.06Å; I38-Y60 HydrophobicContact CB-CE2 4.49Å; I38-Y60 HydrophobicContact CG2-CD2 4.09Å; I38-Y60 HydrophobicContact CG2-CE2 3.78Å; I38-L68 HydrophobicContact CD1-CD1 4.48Å; I38-L68 HydrophobicContact CG2-CB 4.42Å; I38-L68 HydrophobicContact CG2-CD1 4.46Å; I38-L68 HydrophobicContact CG2-CD2 4.14Å; I38-V69 PolarHBondContact N-O 3.11Å; I38-V70 HydrophobicContact CD1-CG2 4Å; I38-V70 HydrophobicContact CG1-CG2 4.36Å; I38-G75 WeakPolarHBondContact O-CA 3.03Å; I38-V92 HydrophobicContact CD1-CG1 4.47Å; I38-V92 HydrophobicContact CD1-CG2 3.78Å; I38-N240 WeakPolarHBondContact CA-OD1 3.18Å
39	A	98.6	Very high	97.9	Very high	2 Å²	2	34.1 Å²	34.1	2%	0.017	19%	0.191	C	C	.	.			trans	-71	154.5	171.9	0	0	0	0	0	110.7	P41 N74 K285 M288	A39-P41 WeakPolarHBondContact O-CD 3.41Å; A39-N74 WeakPolarHBondContact CA-O 3.29Å; A39-K285 HydrophobicContact CB-CG 4.3Å; A39-M288 HydrophobicContact CB-CE 4.29Å; A39-M288 HydrophobicContact CB-SD 3.92Å
40	T	98.8	Very high	98.1	Very high	3 Å²	3	36 Å²	36	2%	0.018	20%	0.196	C	C	.	.			trans	-96.6	111.8	171.6	-56.7	0	0	0	0	108.6	F42 V48 G75 L80 V88 K285	T40-F42 HydrophobicContact CG2-CD1 4.35Å; T40-F42 HydrophobicContact CG2-CE1 3.66Å; T40-F42 HydrophobicContact CG2-CE2 4.38Å; T40-F42 HydrophobicContact CG2-CZ 3.67Å; T40-F42 WeakPolarHBondContact O-CD2 3.34Å; T40-F42 VanDerWaalsContact O-CE2 3.3Å; T40-F42 WeakPolarHBondContact O-CE2 3.16Å; T40-V48 HydrophobicContact CG2-CG1 4.04Å; T40-V48 HydrophobicContact CG2-CG2 4.15Å; T40-G75 WeakPolarHBondContact CB-O 3.09Å; T40-G75 PolarHBondContact OG1-O 2.97Å; T40-L80 HydrophobicContact CG2-CD2 4.26Å; T40-V88 HydrophobicContact CG2-CG2 4.42Å; T40-K285 WeakPolarHBondContact O-CE 3.28Å; T40-K285 PolarHBondContact O-NZ 2.86Å
41	P	98.4	Very high	98.1	Very high	4 Å²	4	41.1 Å²	41.1	3%	0.026	21%	0.211	C	C	.	.			trans	-68.8	142.5	174.5	-20.8	36	0	0	0	110.8	A39 D49 K52 L53	A39-P41 WeakPolarHBondContact O-CD 3.41Å; P41-D49 HydrophobicContact CB-CB 4.22Å; P41-D49 PolarHBondContact O-N 3.06Å; P41-K52 HydrophobicContact CB-CB 3.9Å; P41-K52 HydrophobicContact CG-CB 4.35Å; P41-L53 HydrophobicContact CG-CB 4.23Å
42	F	98.6	Very high	98.1	Very high	14 Å²	14	43.7 Å²	43.7	6%	0.061	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-125.8	148.7	176.4	-59.2	-70.3	0	0	0	110.8	T40 E46 D47 V48 E76 L80 R299	T40-F42 HydrophobicContact CG2-CD1 4.35Å; T40-F42 HydrophobicContact CG2-CE1 3.66Å; T40-F42 HydrophobicContact CG2-CE2 4.38Å; T40-F42 HydrophobicContact CG2-CZ 3.67Å; T40-F42 WeakPolarHBondContact O-CD2 3.34Å; T40-F42 VanDerWaalsContact O-CE2 3.3Å; T40-F42 WeakPolarHBondContact O-CE2 3.16Å; F42-E46 WeakPolarHBondContact CD1-O 3.36Å; F42-D47 CarbonylContact C-O 3.52Å; F42-D47 VanDerWaalsContact CA-O 3.28Å; F42-D47 WeakPolarHBondContact CA-O 3.11Å; F42-V48 HydrophobicContact CD1-CG2 4.27Å; F42-V48 HydrophobicContact CE1-CG2 3.95Å; F42-E76 HydrophobicContact CE2-CB 4.5Å; F42-L80 HydrophobicContact CE1-CD1 4.4Å; F42-L80 HydrophobicContact CZ-CD1 3.94Å; F42-R299 HydrophobicContact CD2-CB 3.99Å; F42-R299 HydrophobicContact CE1-CB 4.44Å; F42-R299 VanDerWaalsContact CE1-CZ 3.42Å; F42-R299 VanDerWaalsContact CE1-NH2 3.31Å; F42-R299 HydrophobicContact CE2-CB 3.71Å; F42-R299 HydrophobicContact CG-CB 4.49Å; F42-R299 HydrophobicContact CZ-CB 3.95Å
43	T	97.7	Very high	98.1	Very high	48 Å²	48	43.1 Å²	43.1	29%	0.294	22%	0.217	S	C	.	.			trans	-74.2	171.9	169.6	73.7	0	0	0	0	110.6	K45 E46 D47 D49	T43-K45 PolarHBondContact O-N 3.01Å; T43-K45 VanDerWaalsContact O-N 3.09Å; T43-K45 PolarHBondContact OG1-N 3.41Å; T43-E46 WeakPolarHBondContact O-CA 3.47Å; T43-E46 PolarHBondContact O-N 3.44Å; T43-D47 HydrophobicContact CG2-CB 4.37Å; T43-D47 PolarHBondContact N-O 3.32Å; T43-D47 PolarHBondContact OG1-N 2.97Å; T43-D47 PolarHBondContact OG1-O 3.27Å; T43-D49 HydrophobicContact CG2-CB 3.85Å
44	A	94.6	Very high	98.1	Very high	114 Å²	114	47.3 Å²	47.3	94%	0.942	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-16.2	173.5	0	0	0	0	0	114.1	E46	A44-E46 VanDerWaalsContact C-N 3.31Å
45	K	96.3	Very high	98.1	Very high	175 Å²	175	49.4 Å²	49.4	76%	0.761	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.1	8.4	174.5	-65	-176.3	179.8	179.6	0	113	T43 D47	T43-K45 PolarHBondContact O-N 3.01Å; T43-K45 VanDerWaalsContact O-N 3.09Å; T43-K45 PolarHBondContact OG1-N 3.41Å; K45-D47 PolarHBondContact O-N 2.97Å
46	E	96.4	Very high	98.1	Very high	83 Å²	83	49.5 Å²	49.5	39%	0.388	25%	0.246	S	C	.	.	S	Bend	trans	66.3	2.8	-173.2	-54.7	-168.3	144.4	0	0	115.3	F42 T43 A44 R299 S300	F42-E46 WeakPolarHBondContact CD1-O 3.36Å; T43-E46 WeakPolarHBondContact O-CA 3.47Å; T43-E46 PolarHBondContact O-N 3.44Å; A44-E46 VanDerWaalsContact C-N 3.31Å; E46-R299 HydrophobicContact CB-CG 4.17Å; E46-R299 HydrophobicContact CG-CG 4.45Å; E46-R299 VanDerWaalsContact O-CZ 3.24Å; E46-R299 PolarHBondContact O-NE 2.87Å; E46-R299 PolarHBondContact O-NH2 3.41Å; E46-S300 VanDerWaalsContact OE1-CB 3.27Å; E46-S300 WeakPolarHBondContact OE1-CB 3.48Å; E46-S300 PolarHBondContact OE1-N 3.29Å
47	D	98.1	Very high	98	Very high	92 Å²	92	50.1 Å²	50.1	49%	0.492	25%	0.25	S	C	.	.			trans	-63.1	146	169.9	-60.2	-50.3	0	0	0	111.1	F42 T43 K45 D49	F42-D47 CarbonylContact C-O 3.52Å; F42-D47 VanDerWaalsContact CA-O 3.28Å; F42-D47 WeakPolarHBondContact CA-O 3.11Å; T43-D47 HydrophobicContact CG2-CB 4.37Å; T43-D47 PolarHBondContact N-O 3.32Å; T43-D47 PolarHBondContact OG1-N 2.97Å; T43-D47 PolarHBondContact OG1-O 3.27Å; K45-D47 PolarHBondContact O-N 2.97Å; D47-D49 PolarHBondContact O-N 3.46Å
48	V	98.6	Very high	97.9	Very high	13 Å²	13	55.8 Å²	55.8	8%	0.079	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-59.9	126.1	173.7	178	0	0	0	0	110.1	T40 F42 Y50 E84 V88	T40-V48 HydrophobicContact CG2-CG1 4.04Å; T40-V48 HydrophobicContact CG2-CG2 4.15Å; F42-V48 HydrophobicContact CD1-CG2 4.27Å; F42-V48 HydrophobicContact CE1-CG2 3.95Å; V48-Y50 HydrophobicContact CB-CD2 4.36Å; V48-Y50 HydrophobicContact CB-CE1 4.5Å; V48-Y50 HydrophobicContact CB-CE2 3.8Å; V48-Y50 HydrophobicContact CG1-CD1 4.03Å; V48-Y50 HydrophobicContact CG1-CD2 4.1Å; V48-Y50 HydrophobicContact CG1-CE1 3.73Å; V48-Y50 HydrophobicContact CG1-CE2 3.81Å; V48-Y50 HydrophobicContact CG1-CG 4.21Å; V48-Y50 WeakPolarHBondContact O-CD2 3.27Å; V48-Y50 PolarHBondContact O-N 3.16Å; V48-E84 HydrophobicContact CG2-CB 4.34Å; V48-E84 HydrophobicContact CG2-CG 4.18Å; V48-V88 HydrophobicContact CG1-CG2 3.85Å; V48-V88 HydrophobicContact CG2-CG2 4.35Å
49	D	98.6	Very high	97.9	Very high	37 Å²	37	59.4 Å²	59.4	20%	0.198	29%	0.292	C	S	.	.			trans	-93.3	85.2	177.7	-165.2	-30.9	0	0	0	110.7	P41 T43 D47 R51 K52 L53	P41-D49 HydrophobicContact CB-CB 4.22Å; P41-D49 PolarHBondContact O-N 3.06Å; T43-D49 HydrophobicContact CG2-CB 3.85Å; D47-D49 PolarHBondContact O-N 3.46Å; D49-R51 PolarHBondContact O-N 2.97Å; D49-R51 PolarHBondContact OD1-N 3.09Å; D49-K52 HydrophobicContact CB-CB 4.12Å; D49-K52 HydrophobicContact CB-CG 4.31Å; D49-K52 VanDerWaalsContact CG-CG 3.41Å; D49-K52 PolarHBondContact O-N 3.06Å; D49-K52 WeakPolarHBondContact OD1-CG 3.25Å; D49-K52 PolarHBondContact OD1-N 2.81Å; D49-K52 VanDerWaalsContact OD2-CG 3.26Å; D49-K52 WeakPolarHBondContact OD2-CG 3.3Å; D49-L53 PolarHBondContact O-N 3.13Å
50	Y	98.3	Very high	97.8	Very high	79 Å²	79	59.5 Å²	59.5	31%	0.31	29%	0.292	S	S	.	.	H	α-helix	trans	-62.9	-28.9	-179.5	-65.9	-78.2	0	0	0	113.6	V48 L53 E54 E87 V88 A91	V48-Y50 HydrophobicContact CB-CD2 4.36Å; V48-Y50 HydrophobicContact CB-CE1 4.5Å; V48-Y50 HydrophobicContact CB-CE2 3.8Å; V48-Y50 HydrophobicContact CG1-CD1 4.03Å; V48-Y50 HydrophobicContact CG1-CD2 4.1Å; V48-Y50 HydrophobicContact CG1-CE1 3.73Å; V48-Y50 HydrophobicContact CG1-CE2 3.81Å; V48-Y50 HydrophobicContact CG1-CG 4.21Å; V48-Y50 WeakPolarHBondContact O-CD2 3.27Å; V48-Y50 PolarHBondContact O-N 3.16Å; Y50-L53 HydrophobicContact CD1-CD2 4.44Å; Y50-E54 WeakPolarHBondContact O-CB 3.43Å; Y50-E54 PolarHBondContact O-N 3.15Å; Y50-E87 HydrophobicContact CE1-CG 3.79Å; Y50-E87 WeakPolarHBondContact OH-CG 3.4Å; Y50-V88 HydrophobicContact CE1-CG2 4Å; Y50-A91 HydrophobicContact CD1-CB 3.78Å; Y50-A91 HydrophobicContact CE1-CB 4.1Å
51	R	98.1	Very high	97.6	Very high	173 Å²	173	63 Å²	63	65%	0.653	31%	0.31	S	S	*	.	H	α-helix	trans	-68.5	-47.7	176.7	177.9	-175.8	169.7	166.5	4.8	110	D49 L53 E54 E55	D49-R51 PolarHBondContact O-N 2.97Å; D49-R51 PolarHBondContact OD1-N 3.09Å; R51-L53 VanDerWaalsContact C-N 3.29Å; R51-L53 PolarHBondContact O-N 3.19Å; R51-E54 PolarHBondContact O-N 3.49Å; R51-E55 IonicContact CZ-OE1 2.87Å; R51-E55 IonicContact NE-OE1 2.73Å; R51-E55 PolarHBondContact NE-OE1 3.49Å; R51-E55 IonicContact NH2-OE1 3.39Å; R51-E55 WeakPolarHBondContact O-CG 3.4Å; R51-E55 PolarHBondContact O-N 3.3Å
52	K	98.4	Very high	97.5	Very high	54 Å²	54	70.5 Å²	70.5	24%	0.235	35%	0.345	C	S	.	.	H	α-helix	trans	-67	-32	177	-66.1	-47.6	-166.2	174	0	112.7	P41 D49 E55 N56 H294	P41-K52 HydrophobicContact CB-CB 3.9Å; P41-K52 HydrophobicContact CG-CB 4.35Å; D49-K52 HydrophobicContact CB-CB 4.12Å; D49-K52 HydrophobicContact CB-CG 4.31Å; D49-K52 VanDerWaalsContact CG-CG 3.41Å; D49-K52 PolarHBondContact O-N 3.06Å; D49-K52 WeakPolarHBondContact OD1-CG 3.25Å; D49-K52 PolarHBondContact OD1-N 2.81Å; D49-K52 VanDerWaalsContact OD2-CG 3.26Å; D49-K52 WeakPolarHBondContact OD2-CG 3.3Å; K52-E55 WeakPolarHBondContact CD-OE2 3.47Å; K52-E55 IonicContact NZ-OE1 2.69Å; K52-E55 IonicContact NZ-OE2 3.06Å; K52-E55 PolarHBondContact NZ-OE2 3.22Å; K52-N56 PolarHBondContact O-N 3.15Å; K52-N56 VanDerWaalsContact O-N 3.14Å; K52-H294 HydrophobicContact CB-CB 3.95Å; K52-H294 HydrophobicContact CD-CB 4.29Å; K52-H294 HydrophobicContact CG-CB 4.37Å; K52-H294 PolarHBondContact NZ-CE1 2.82Å; K52-H294 PolarHBondContact NZ-NE2 3.28Å
53	L	98.6	Very high	97.5	Very high	4 Å²	4	70.2 Å²	70.2	2%	0.021	34%	0.344	C	S	.	.	H	α-helix	trans	-59.6	-51.5	169.2	179.4	60	0	0	0	110.9	I38 P41 D49 Y50 R51 E55 N56 L57 V88 A91 V92	I38-L53 HydrophobicContact CD1-CD1 4Å; P41-L53 HydrophobicContact CG-CB 4.23Å; D49-L53 PolarHBondContact O-N 3.13Å; Y50-L53 HydrophobicContact CD1-CD2 4.44Å; R51-L53 VanDerWaalsContact C-N 3.29Å; R51-L53 PolarHBondContact O-N 3.19Å; L53-E55 PolarHBondContact O-N 3.35Å; L53-N56 WeakPolarHBondContact O-CB 3.35Å; L53-N56 PolarHBondContact O-N 3.24Å; L53-L57 HydrophobicContact CD1-CG 4.43Å; L53-L57 HydrophobicContact CG-CD1 4.25Å; L53-L57 VanDerWaalsContact O-CG 3.3Å; L53-L57 WeakPolarHBondContact O-CG 3.36Å; L53-L57 PolarHBondContact O-N 2.7Å; L53-V88 HydrophobicContact CD2-CG1 4.21Å; L53-A91 HydrophobicContact CD2-CB 4.49Å; L53-V92 HydrophobicContact CD1-CG2 4.38Å; L53-V92 HydrophobicContact CD2-CG2 4.08Å; L53-V92 HydrophobicContact CG-CG2 4.48Å
54	E	98.2	Very high	97.5	Very high	92 Å²	92	71.9 Å²	71.9	43%	0.43	36%	0.355	S	S	.	.	H	α-helix	trans	-60.4	-42.2	179.1	-175.7	171.5	-153.1	0	0	112.9	Y50 R51 N56 L57 Q58	Y50-E54 WeakPolarHBondContact O-CB 3.43Å; Y50-E54 PolarHBondContact O-N 3.15Å; R51-E54 PolarHBondContact O-N 3.49Å; E54-N56 VanDerWaalsContact C-N 3.3Å; E54-N56 PolarHBondContact O-N 2.6Å; E54-L57 PolarHBondContact O-N 2.86Å; E54-L57 VanDerWaalsContact O-N 3.12Å; E54-Q58 WeakPolarHBondContact O-CG 3.37Å; E54-Q58 PolarHBondContact O-N 3.47Å
55	E	98.1	Very high	97.6	Very high	43 Å²	43	66.9 Å²	66.9	20%	0.201	31%	0.312	C	S	.	.	H	α-helix	trans	-60.1	-37.9	175.8	-71.2	172.6	-167.8	0	0	112.1	R51 K52 L53 H294	R51-E55 IonicContact CZ-OE1 2.87Å; R51-E55 IonicContact NE-OE1 2.73Å; R51-E55 PolarHBondContact NE-OE1 3.49Å; R51-E55 IonicContact NH2-OE1 3.39Å; R51-E55 WeakPolarHBondContact O-CG 3.4Å; R51-E55 PolarHBondContact O-N 3.3Å; K52-E55 WeakPolarHBondContact CD-OE2 3.47Å; K52-E55 IonicContact NZ-OE1 2.69Å; K52-E55 IonicContact NZ-OE2 3.06Å; K52-E55 PolarHBondContact NZ-OE2 3.22Å; L53-E55 PolarHBondContact O-N 3.35Å; E55-H294 IonicContact OE2-CD2 3.56Å; E55-H294 PolarHBondContact OE2-CD2 3.1Å; E55-H294 VanDerWaalsContact OE2-CD2 3.31Å; E55-H294 IonicContact OE2-NE2 2.61Å; E55-H294 PolarHBondContact OE2-NE2 3.42Å; E55-H294 VanDerWaalsContact OE2-NE2 3.1Å
56	N	98.5	Very high	97.7	Very high	2 Å²	2	61.4 Å²	61.4	1%	0.011	29%	0.289	C	S	.	.	H	α-helix	trans	-68.8	-41.1	172.7	-74.3	-20.9	0	0	0	112.4	K52 L53 E54 Q58 K59 Y60 H294	K52-N56 PolarHBondContact O-N 3.15Å; K52-N56 VanDerWaalsContact O-N 3.14Å; L53-N56 WeakPolarHBondContact O-CB 3.35Å; L53-N56 PolarHBondContact O-N 3.24Å; E54-N56 VanDerWaalsContact C-N 3.3Å; E54-N56 PolarHBondContact O-N 2.6Å; N56-Q58 VanDerWaalsContact C-N 3.29Å; N56-Q58 PolarHBondContact O-N 3.1Å; N56-K59 PolarHBondContact O-N 2.95Å; N56-K59 VanDerWaalsContact O-N 3.13Å; N56-Y60 HydrophobicContact CB-CE2 4.12Å; N56-Y60 WeakPolarHBondContact O-CD2 3.33Å; N56-Y60 PolarHBondContact O-N 3.15Å; N56-H294 PolarHBondContact ND2-O 3.5Å; N56-H294 PolarHBondContact OD1-N 3.23Å
57	L	98.1	Very high	97.9	Very high	13 Å²	13	57.4 Å²	57.4	7%	0.068	27%	0.27	C	S	.	.	H	α-helix	trans	-61.4	-38	-179.5	-67.5	175.2	0	0	0	112	I38 L53 E54 K59 Y60 D61 L68 V92	I38-L57 HydrophobicContact CD1-CD2 4.06Å; L53-L57 HydrophobicContact CD1-CG 4.43Å; L53-L57 HydrophobicContact CG-CD1 4.25Å; L53-L57 VanDerWaalsContact O-CG 3.3Å; L53-L57 WeakPolarHBondContact O-CG 3.36Å; L53-L57 PolarHBondContact O-N 2.7Å; E54-L57 PolarHBondContact O-N 2.86Å; E54-L57 VanDerWaalsContact O-N 3.12Å; L57-K59 VanDerWaalsContact C-N 3.29Å; L57-K59 PolarHBondContact O-N 3.4Å; L57-Y60 HydrophobicContact CD2-CD2 4.48Å; L57-Y60 PolarHBondContact O-N 3.4Å; L57-D61 PolarHBondContact O-N 3.12Å; L57-L68 HydrophobicContact CD2-CD1 3.37Å; L57-V92 HydrophobicContact CD1-CB 4.28Å; L57-V92 HydrophobicContact CD1-CG1 4.27Å; L57-V92 HydrophobicContact CD1-CG2 4.07Å; L57-V92 HydrophobicContact CD2-CG1 4.02Å; L57-V92 HydrophobicContact CD2-CG2 4.39Å
58	Q	96.8	Very high	97.9	Very high	120 Å²	120	53.1 Å²	53.1	56%	0.561	25%	0.247	S	C	*	.	H	α-helix	trans	-58.1	-42.3	174.8	-70.8	171.8	1	0	0	111.6	E54 N56 D61	E54-Q58 WeakPolarHBondContact O-CG 3.37Å; E54-Q58 PolarHBondContact O-N 3.47Å; N56-Q58 VanDerWaalsContact C-N 3.29Å; N56-Q58 PolarHBondContact O-N 3.1Å; Q58-D61 WeakPolarHBondContact O-CB 3.19Å; Q58-D61 PolarHBondContact O-N 3.04Å
59	K	97.4	Very high	97.9	Very high	82 Å²	82	52.5 Å²	52.5	36%	0.357	24%	0.243	S	C	.	.	H	α-helix	trans	-69	-39.5	176.8	-62.2	-177.1	-176.9	-163.9	0	112.4	N56 L57 D61 E62 G292 Y293	N56-K59 PolarHBondContact O-N 2.95Å; N56-K59 VanDerWaalsContact O-N 3.13Å; L57-K59 VanDerWaalsContact C-N 3.29Å; L57-K59 PolarHBondContact O-N 3.4Å; K59-D61 PolarHBondContact O-N 3.34Å; K59-E62 PolarHBondContact O-N 3.01Å; K59-G292 PolarHBondContact NZ-O 2.67Å; K59-Y293 HydrophobicContact CB-CD1 4.18Å; K59-Y293 HydrophobicContact CB-CE1 3.55Å; K59-Y293 HydrophobicContact CD-CD1 3.84Å; K59-Y293 HydrophobicContact CD-CE1 3.85Å; K59-Y293 HydrophobicContact CG-CE1 4.35Å
60	Y	97.5	Very high	97.9	Very high	5 Å²	5	50.8 Å²	50.8	2%	0.02	23%	0.234	C	C	.	.	H	α-helix	trans	-66.9	-19.2	175.4	-63.6	-33.8	0	0	0	113.2	I38 N56 L57 E62 I63 F65 L68 K100 N240 Y293	I38-Y60 HydrophobicContact CB-CE2 4.49Å; I38-Y60 HydrophobicContact CG2-CD2 4.09Å; I38-Y60 HydrophobicContact CG2-CE2 3.78Å; N56-Y60 HydrophobicContact CB-CE2 4.12Å; N56-Y60 WeakPolarHBondContact O-CD2 3.33Å; N56-Y60 PolarHBondContact O-N 3.15Å; L57-Y60 HydrophobicContact CD2-CD2 4.48Å; L57-Y60 PolarHBondContact O-N 3.4Å; Y60-E62 VanDerWaalsContact C-N 3.29Å; Y60-E62 PolarHBondContact O-N 2.95Å; Y60-I63 HydrophobicContact CD1-CD1 4.36Å; Y60-I63 PolarHBondContact O-N 2.91Å; Y60-F65 AromaticContact CD1-CE2 3.96Å; Y60-F65 HydrophobicContact CD1-CE2 3.96Å; Y60-F65 HydrophobicContact CG-CE2 4.34Å; Y60-L68 HydrophobicContact CD2-CD2 4.46Å; Y60-K100 PolarHBondContact O-NZ 3.03Å; Y60-N240 WeakPolarHBondContact CE1-O 3.42Å; Y60-N240 WeakPolarHBondContact OH-CB 3.45Å; Y60-N240 PolarHBondContact OH-O 3.41Å; Y60-N240 PolarHBondContact OH-OD1 2.88Å; Y60-N240 VanDerWaalsContact OH-OD1 3.11Å; Y60-Y293 AromaticContact CD1-CE1 3.88Å; Y60-Y293 HydrophobicContact CD1-CE1 3.88Å; Y60-Y293 AromaticContact CE1-CD1 3.89Å; Y60-Y293 HydrophobicContact CE1-CD1 3.89Å; Y60-Y293 AromaticContact CE1-CE1 3.41Å; Y60-Y293 HydrophobicContact CE1-CE1 3.41Å; Y60-Y293 VanDerWaalsContact CE1-CE1 3.41Å
61	D	94.6	Very high	97.9	Very high	77 Å²	77	47.2 Å²	47.2	41%	0.412	22%	0.22	S	C	.	.	H	α-helix	trans	-67.6	-32.6	177.2	-161.8	30	0	0	0	112.6	L57 Q58 K59 I63 P97 K100	L57-D61 PolarHBondContact O-N 3.12Å; Q58-D61 WeakPolarHBondContact O-CB 3.19Å; Q58-D61 PolarHBondContact O-N 3.04Å; K59-D61 PolarHBondContact O-N 3.34Å; D61-I63 PolarHBondContact O-N 3.07Å; D61-P97 VanDerWaalsContact OD1-CG 3.26Å; D61-P97 WeakPolarHBondContact OD1-CG 3.45Å; D61-K100 VanDerWaalsContact C-NZ 3.35Å; D61-K100 VanDerWaalsContact CA-NZ 3.33Å; D61-K100 PolarHBondContact O-NZ 2.88Å; D61-K100 VanDerWaalsContact OD1-CE 3.27Å; D61-K100 WeakPolarHBondContact OD1-CE 3.32Å; D61-K100 IonicContact OD1-NZ 3.43Å; D61-K100 PolarHBondContact OD1-NZ 3Å
62	E	95.5	Very high	97.8	Very high	161 Å²	161	39 Å²	39	75%	0.752	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-10.6	179.4	-57.7	-178.2	176	0	0	113.7	K59 Y60 Q244	K59-E62 PolarHBondContact O-N 3.01Å; Y60-E62 VanDerWaalsContact C-N 3.29Å; Y60-E62 PolarHBondContact O-N 2.95Å; E62-Q244 PolarHBondContact O-NE2 2.85Å
63	I	98.1	Very high	97.8	Very high	7 Å²	7	37.4 Å²	37.4	4%	0.036	19%	0.185	C	C	.	.	S	Bend	trans	-98.7	136.2	-179	-50	-178.3	0	0	0	109	Y60 D61 F65 K100	Y60-I63 HydrophobicContact CD1-CD1 4.36Å; Y60-I63 PolarHBondContact O-N 2.91Å; D61-I63 PolarHBondContact O-N 3.07Å; I63-F65 HydrophobicContact CB-CD2 3.87Å; I63-F65 HydrophobicContact CB-CE1 4.46Å; I63-F65 HydrophobicContact CB-CE2 3.68Å; I63-F65 HydrophobicContact CB-CG 4.36Å; I63-F65 HydrophobicContact CB-CZ 4.01Å; I63-F65 HydrophobicContact CD1-CE2 3.83Å; I63-F65 HydrophobicContact CD1-CZ 3.92Å; I63-F65 HydrophobicContact CG1-CE2 4.27Å; I63-F65 HydrophobicContact CG2-CD1 3.91Å; I63-F65 HydrophobicContact CG2-CD2 4.01Å; I63-F65 HydrophobicContact CG2-CE1 3.59Å; I63-F65 HydrophobicContact CG2-CE2 3.71Å; I63-F65 HydrophobicContact CG2-CG 4.11Å; I63-F65 HydrophobicContact CG2-CZ 3.51Å; I63-F65 PolarHBondContact O-N 3.11Å; I63-K100 PolarHBondContact O-NZ 3.12Å
64	P	97.7	Very high	97.8	Very high	83 Å²	83	38.3 Å²	38.3	54%	0.539	19%	0.19	S	C	.	.			trans	-75.7	45.5	-177.1	33.2	-37.5	0	0	0	113	C247	P64-C247 HydrophobicContact CG-CB 3.89Å
65	F	98.6	Very high	97.8	Very high	9 Å²	9	34 Å²	34	4%	0.039	17%	0.17	C	C	.	.			trans	-63.5	144.9	168	-61.8	-44.1	0	0	0	110.9	I34 P36 Y60 I63 G67 L68 A239	I34-F65 HydrophobicContact CB-CD1 4.21Å; I34-F65 HydrophobicContact CG2-CD1 3.87Å; I34-F65 HydrophobicContact CG2-CE1 3.93Å; I34-F65 WeakPolarHBondContact O-CA 3.42Å; P36-F65 HydrophobicContact CB-CZ 4.49Å; P36-F65 HydrophobicContact CG-CD2 3.89Å; P36-F65 HydrophobicContact CG-CE2 3.66Å; P36-F65 HydrophobicContact CG-CG 4.4Å; P36-F65 HydrophobicContact CG-CZ 3.98Å; Y60-F65 AromaticContact CD1-CE2 3.96Å; Y60-F65 HydrophobicContact CD1-CE2 3.96Å; Y60-F65 HydrophobicContact CG-CE2 4.34Å; I63-F65 HydrophobicContact CB-CD2 3.87Å; I63-F65 HydrophobicContact CB-CE1 4.46Å; I63-F65 HydrophobicContact CB-CE2 3.68Å; I63-F65 HydrophobicContact CB-CG 4.36Å; I63-F65 HydrophobicContact CB-CZ 4.01Å; I63-F65 HydrophobicContact CD1-CE2 3.83Å; I63-F65 HydrophobicContact CD1-CZ 3.92Å; I63-F65 HydrophobicContact CG1-CE2 4.27Å; I63-F65 HydrophobicContact CG2-CD1 3.91Å; I63-F65 HydrophobicContact CG2-CD2 4.01Å; I63-F65 HydrophobicContact CG2-CE1 3.59Å; I63-F65 HydrophobicContact CG2-CE2 3.71Å; I63-F65 HydrophobicContact CG2-CG 4.11Å; I63-F65 HydrophobicContact CG2-CZ 3.51Å; I63-F65 PolarHBondContact O-N 3.11Å; F65-G67 PolarHBondContact O-N 3.07Å; F65-L68 HydrophobicContact CD2-CD2 4.37Å; F65-A239 HydrophobicContact CE1-CB 3.97Å; F65-A239 HydrophobicContact CZ-CB 4.13Å; F65-A239 WeakPolarHBondContact CZ-O 3.3Å
66	K	98.5	Very high	97.9	Very high	60 Å²	60	32.1 Å²	32.1	26%	0.261	16%	0.161	S	C	.	.	S	Bend	trans	-67.1	-29.5	170.4	177.7	63.7	174.5	-154.5	0	111.9	D30 S32 I34 Y35 L101	D30-K66 WeakPolarHBondContact O-CE 3.42Å; D30-K66 PolarHBondContact O-NZ 3.39Å; D30-K66 IonicContact OD2-NZ 3.22Å; D30-K66 PolarHBondContact OD2-NZ 2.74Å; S32-K66 VanDerWaalsContact O-CD 3.31Å; S32-K66 WeakPolarHBondContact O-CD 3.39Å; S32-K66 VanDerWaalsContact O-CG 3.23Å; S32-K66 WeakPolarHBondContact O-CG 3.39Å; I34-K66 PolarHBondContact O-N 3.49Å; Y35-K66 HydrophobicContact CE1-CB 4.11Å; Y35-K66 HydrophobicContact CE1-CG 3.94Å; Y35-K66 HydrophobicContact CE2-CB 4.1Å; Y35-K66 HydrophobicContact CE2-CG 4.14Å; Y35-K66 VanDerWaalsContact CZ-CG 3.46Å; Y35-K66 WeakPolarHBondContact OH-CG 3.49Å; K66-L101 HydrophobicContact CD-CD1 4.45Å; K66-L101 HydrophobicContact CG-CD1 4.23Å; K66-L101 PolarHBondContact O-N 2.82Å
67	G	98.7	Very high	97.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.8	-169.5	-176	0	0	0	0	0	111.7	Y35 F65 L101	Y35-G67 WeakPolarHBondContact CD1-O 3.45Å; F65-G67 PolarHBondContact O-N 3.07Å; G67-L101 CarbonylContact C-O 3.59Å; G67-L101 WeakPolarHBondContact CA-O 3.5Å
68	L	98.8	Very high	97.9	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	147.6	175.2	-54.4	179.2	0	0	0	109.9	P36 I38 L57 Y60 F65 V92 L96 L101 L103	P36-L68 HydrophobicContact CG-CD2 3.5Å; P36-L68 VanDerWaalsContact CG-CD2 3.5Å; I38-L68 HydrophobicContact CD1-CD1 4.48Å; I38-L68 HydrophobicContact CG2-CB 4.42Å; I38-L68 HydrophobicContact CG2-CD1 4.46Å; I38-L68 HydrophobicContact CG2-CD2 4.14Å; L57-L68 HydrophobicContact CD2-CD1 3.37Å; Y60-L68 HydrophobicContact CD2-CD2 4.46Å; F65-L68 HydrophobicContact CD2-CD2 4.37Å; L68-V92 HydrophobicContact CD1-CG1 3.95Å; L68-L96 HydrophobicContact CD1-CD1 3.74Å; L68-L96 HydrophobicContact CG-CD1 3.98Å; L68-L101 PolarHBondContact N-O 2.97Å; L68-L103 PolarHBondContact O-N 3.49Å
69	V	98.9	Very high	98	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	118.7	165	168.8	0	0	0	0	108	Y35 P36 P37 I38 L103 L130 V235	Y35-V69 HydrophobicContact CD1-CG2 4.44Å; Y35-V69 HydrophobicContact CG-CG2 4.36Å; P36-V69 PolarHBondContact O-N 3.26Å; P37-V69 CarbonylContact C-O 3.57Å; P37-V69 VanDerWaalsContact CA-O 3.29Å; P37-V69 WeakPolarHBondContact CA-O 3.45Å; P37-V69 HydrophobicContact CB-CB 4.18Å; P37-V69 HydrophobicContact CB-CG1 4.11Å; I38-V69 PolarHBondContact N-O 3.11Å; V69-L103 CarbonylContact C-O 3.46Å; V69-L103 WeakPolarHBondContact CA-O 3.27Å; V69-L103 HydrophobicContact CB-CB 4.49Å; V69-L103 HydrophobicContact CG2-CB 3.73Å; V69-L103 HydrophobicContact CG2-CD2 3.94Å; V69-L103 HydrophobicContact CG2-CG 4.47Å; V69-L130 HydrophobicContact CG1-CD2 3.79Å; V69-V235 HydrophobicContact CB-CG1 4.02Å; V69-V235 HydrophobicContact CG1-CG1 4.28Å; V69-V235 HydrophobicContact CG2-CB 4.49Å; V69-V235 HydrophobicContact CG2-CG1 3.69Å; V69-V235 HydrophobicContact CG2-CG2 3.95Å
70	V	98.8	Very high	98.1	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	136.2	178.9	-174.1	0	0	0	0	108.2	I38 G72 V88 V89 V92 L102 L103 A104 G105	I38-V70 HydrophobicContact CD1-CG2 4Å; I38-V70 HydrophobicContact CG1-CG2 4.36Å; V70-G72 VanDerWaalsContact C-N 3.27Å; V70-G72 PolarHBondContact O-N 3.03Å; V70-V88 HydrophobicContact CG1-CG1 3.67Å; V70-V89 HydrophobicContact CB-CG2 4.18Å; V70-V89 HydrophobicContact CG1-CG2 3.77Å; V70-V92 HydrophobicContact CG1-CG2 4.26Å; V70-V92 HydrophobicContact CG2-CB 4.02Å; V70-V92 HydrophobicContact CG2-CG1 3.77Å; V70-V92 HydrophobicContact CG2-CG2 3.92Å; V70-L102 HydrophobicContact CG2-CD1 4.47Å; V70-L102 HydrophobicContact CG2-CD2 4.2Å; V70-L102 HydrophobicContact CG2-CG 4.13Å; V70-L103 PolarHBondContact N-O 2.95Å; V70-A104 CarbonylContact O-C 3.52Å; V70-G105 PolarHBondContact O-N 2.87Å
71	Q	98.1	Very high	98.1	Very high	3 Å²	3	35.7 Å²	35.7	1%	0.014	19%	0.187	C	C	.	.	S	Bend	trans	58	34.1	-177.4	-73.1	161.9	38.1	0	0	115.4	R85 G105	Q71-R85 PolarHBondContact NE2-O 3.15Å; Q71-R85 VanDerWaalsContact OE1-NE 3.12Å; Q71-G105 WeakPolarHBondContact O-CA 3.49Å
72	G	96.8	Very high	98.3	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.01	18%	0.182	C	C	.	.	S	Bend	trans	-67.2	-179.3	151.8	0	0	0	0	0	111	V70 N74 G75	V70-G72 VanDerWaalsContact C-N 3.27Å; V70-G72 PolarHBondContact O-N 3.03Å; G72-N74 PolarHBondContact O-N 3.25Å; G72-N74 VanDerWaalsContact O-N 3.14Å; G72-G75 PolarHBondContact O-N 2.99Å
73	S	98.1	Very high	98.5	Very high	21 Å²	21	33.8 Å²	33.8	15%	0.147	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-54.7	-34.9	177.6	-48.6	0	0	0	0	113.6	G75 E76 Y164	S73-G75 PolarHBondContact O-N 3.41Å; S73-E76 PolarHBondContact O-N 3.46Å; S73-Y164 PolarHBondContact OG-OH 3.05Å; S73-Y164 VanDerWaalsContact OG-OH 3.13Å
74	N	98.6	Very high	98.5	Very high	23 Å²	23	35.1 Å²	35.1	12%	0.123	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-71.7	-16.7	178.4	-62.3	-72.2	0	0	0	114	P37 A39 G72 E76 L284	P37-N74 HydrophobicContact CB-CB 4.36Å; P37-N74 HydrophobicContact CG-CB 4.37Å; P37-N74 WeakPolarHBondContact CG-ND2 3.26Å; A39-N74 WeakPolarHBondContact CA-O 3.29Å; G72-N74 PolarHBondContact O-N 3.25Å; G72-N74 VanDerWaalsContact O-N 3.14Å; N74-E76 PolarHBondContact O-N 2.93Å; N74-L284 HydrophobicContact CB-CD2 3.99Å
75	G	98.6	Very high	98.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-85.2	6.2	173.7	0	0	0	0	0	113.3	I38 T40 G72 S73 Y77	I38-G75 WeakPolarHBondContact O-CA 3.03Å; T40-G75 WeakPolarHBondContact CB-O 3.09Å; T40-G75 PolarHBondContact OG1-O 2.97Å; G72-G75 PolarHBondContact O-N 2.99Å; S73-G75 PolarHBondContact O-N 3.41Å; G75-Y77 PolarHBondContact O-N 2.88Å
76	E	98.8	Very high	98.6	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.019	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	30.6	178.4	-63.2	170.1	-105.5	0	0	113.4	F42 S73 N74 P78 Y79 L80 V281 K285 C298 R299 L302	F42-E76 HydrophobicContact CE2-CB 4.5Å; S73-E76 PolarHBondContact O-N 3.46Å; N74-E76 PolarHBondContact O-N 2.93Å; E76-P78 WeakPolarHBondContact O-CD 3.42Å; E76-Y79 HydrophobicContact CB-CD2 4.05Å; E76-Y79 HydrophobicContact CG-CD2 4.42Å; E76-Y79 PolarHBondContact O-N 3.37Å; E76-L80 HydrophobicContact CB-CD1 4.42Å; E76-L80 WeakPolarHBondContact O-CD1 3.46Å; E76-V281 HydrophobicContact CG-CG1 4Å; E76-K285 WeakPolarHBondContact OE1-CE 3.26Å; E76-K285 IonicContact OE1-NZ 3.55Å; E76-K285 PolarHBondContact OE1-NZ 3.38Å; E76-C298 WeakPolarHBondContact OE2-CA 3.41Å; E76-C298 VanDerWaalsContact OE2-CB 3.29Å; E76-C298 WeakPolarHBondContact OE2-CB 3.36Å; E76-R299 PolarHBondContact OE2-N 2.94Å; E76-L302 HydrophobicContact CG-CD1 4.24Å
77	Y	98.5	Very high	98.6	Very high	48 Å²	48	34 Å²	34	19%	0.188	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-49.6	-31.7	-175.9	87.9	-93.4	0	0	0	115.6	G75 Y79 L80	G75-Y77 PolarHBondContact O-N 2.88Å; Y77-Y79 PolarHBondContact O-N 2.7Å; Y77-L80 PolarHBondContact O-N 3.09Å
78	P	98.7	Very high	98.6	Very high	84 Å²	84	34 Å²	34	55%	0.545	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-67.3	-16.6	176.7	-20.9	35.8	0	0	0	113.9	E76	E76-P78 WeakPolarHBondContact O-CD 3.42Å
79	Y	98.7	Very high	98.6	Very high	79 Å²	79	33.9 Å²	33.9	31%	0.31	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-101.2	-1.3	-178	-53.3	-24.7	0	0	0	113.2	E76 Y77 R299 P301 L302	E76-Y79 HydrophobicContact CB-CD2 4.05Å; E76-Y79 HydrophobicContact CG-CD2 4.42Å; E76-Y79 PolarHBondContact O-N 3.37Å; Y77-Y79 PolarHBondContact O-N 2.7Å; Y79-R299 HydrophobicContact CD2-CB 4.37Å; Y79-R299 VanDerWaalsContact O-CD 3.27Å; Y79-R299 WeakPolarHBondContact O-CD 3.48Å; Y79-R299 PolarHBondContact O-NH1 3.47Å; Y79-P301 HydrophobicContact CE1-CG 4.17Å; Y79-L302 HydrophobicContact CE2-CB 4.33Å; Y79-L302 HydrophobicContact CE2-CD1 3.76Å; Y79-L302 HydrophobicContact CE2-CG 3.75Å
80	L	98.7	Very high	98.6	Very high	16 Å²	16	34.7 Å²	34.7	8%	0.084	18%	0.178	C	C	.	.	S	Bend	trans	-96.6	142	175.2	-76.8	76.2	0	0	0	110.2	T40 F42 E76 Y77 E84 R85 V88	T40-L80 HydrophobicContact CG2-CD2 4.26Å; F42-L80 HydrophobicContact CE1-CD1 4.4Å; F42-L80 HydrophobicContact CZ-CD1 3.94Å; E76-L80 HydrophobicContact CB-CD1 4.42Å; E76-L80 WeakPolarHBondContact O-CD1 3.46Å; Y77-L80 PolarHBondContact O-N 3.09Å; L80-E84 HydrophobicContact CB-CB 4.1Å; L80-E84 HydrophobicContact CD2-CB 4.1Å; L80-E84 HydrophobicContact CG-CB 4.26Å; L80-R85 HydrophobicContact CB-CG 3.59Å; L80-R85 HydrophobicContact CD2-CG 4.26Å; L80-V88 HydrophobicContact CD2-CG2 4.08Å
81	T	98.8	Very high	98.6	Very high	71 Å²	71	35.1 Å²	35.1	44%	0.436	18%	0.182	S	C	.	.			trans	-62.1	161	164.7	59.8	0	0	0	0	110.6	E83 E84 R85	T81-E83 PolarHBondContact O-N 2.94Å; T81-E84 PolarHBondContact N-OE2 3.01Å; T81-E84 PolarHBondContact O-N 3.42Å; T81-E84 WeakPolarHBondContact OG1-CB 3.44Å; T81-E84 WeakPolarHBondContact OG1-CG 3.26Å; T81-E84 PolarHBondContact OG1-N 2.91Å; T81-E84 PolarHBondContact OG1-OE2 3.38Å; T81-R85 WeakPolarHBondContact O-CB 3.46Å; T81-R85 VanDerWaalsContact O-CG 3.28Å; T81-R85 WeakPolarHBondContact O-CG 3.28Å; T81-R85 PolarHBondContact O-N 3.48Å
82	E	98.6	Very high	98.6	Very high	65 Å²	65	35 Å²	35	30%	0.304	18%	0.181	S	C	.	.	H	α-helix	trans	-61.1	-37.4	178	-168.2	179.2	117.2	0	0	111.5	R85 V86 L117 K120	E82-R85 WeakPolarHBondContact O-CB 3.47Å; E82-R85 PolarHBondContact O-N 3.37Å; E82-V86 WeakPolarHBondContact O-CG2 3.47Å; E82-V86 PolarHBondContact O-N 2.87Å; E82-L117 HydrophobicContact CG-CD1 3.73Å; E82-K120 WeakPolarHBondContact OE1-CE 3.46Å; E82-K120 IonicContact OE1-NZ 3.15Å; E82-K120 PolarHBondContact OE1-NZ 2.81Å
83	E	98.7	Very high	98.7	Very high	133 Å²	133	36.7 Å²	36.7	62%	0.621	19%	0.187	S	C	*	.	H	α-helix	trans	-65.2	-48.5	178	-65.8	69.1	-151.4	0	0	111.4	T81 R85 V86 E87	T81-E83 PolarHBondContact O-N 2.94Å; E83-R85 PolarHBondContact O-N 3Å; E83-V86 PolarHBondContact O-N 3.31Å; E83-E87 WeakPolarHBondContact O-CB 3.45Å; E83-E87 PolarHBondContact O-N 3.42Å
84	E	98.8	Very high	98.6	Very high	35 Å²	35	43.6 Å²	43.6	16%	0.164	21%	0.21	C	C	.	.	H	α-helix	trans	-59.6	-39.4	174.3	-74.3	171.1	130.3	0	0	111.1	V48 L80 T81 E87 V88 R299	V48-E84 HydrophobicContact CG2-CB 4.34Å; V48-E84 HydrophobicContact CG2-CG 4.18Å; L80-E84 HydrophobicContact CB-CB 4.1Å; L80-E84 HydrophobicContact CD2-CB 4.1Å; L80-E84 HydrophobicContact CG-CB 4.26Å; T81-E84 PolarHBondContact N-OE2 3.01Å; T81-E84 PolarHBondContact O-N 3.42Å; T81-E84 WeakPolarHBondContact OG1-CB 3.44Å; T81-E84 WeakPolarHBondContact OG1-CG 3.26Å; T81-E84 PolarHBondContact OG1-N 2.91Å; T81-E84 PolarHBondContact OG1-OE2 3.38Å; E84-E87 PolarHBondContact O-N 3.25Å; E84-V88 WeakPolarHBondContact O-CB 3.36Å; E84-V88 VanDerWaalsContact O-CG2 3.23Å; E84-V88 WeakPolarHBondContact O-CG2 3.09Å; E84-V88 PolarHBondContact O-N 2.82Å; E84-R299 IonicContact OE1-CZ 3.58Å; E84-R299 IonicContact OE1-NH1 3.47Å; E84-R299 PolarHBondContact OE1-NH1 3.28Å; E84-R299 IonicContact OE1-NH2 3.43Å; E84-R299 PolarHBondContact OE1-NH2 2.8Å; E84-R299 IonicContact OE2-CZ 2.65Å; E84-R299 IonicContact OE2-NH1 3.7Å; E84-R299 PolarHBondContact OE2-NH1 2.82Å; E84-R299 IonicContact OE2-NH2 3Å
85	R	98.8	Very high	98.5	Very high	20 Å²	20	44.8 Å²	44.8	8%	0.075	22%	0.22	C	C	.	.	H	α-helix	trans	-59.3	-52.9	176.3	-77.2	-178.3	72.9	179	4.4	110.5	Q71 L80 T81 E82 E83 E87 V88 V89 G105 G107 M121	Q71-R85 PolarHBondContact NE2-O 3.15Å; Q71-R85 VanDerWaalsContact OE1-NE 3.12Å; L80-R85 HydrophobicContact CB-CG 3.59Å; L80-R85 HydrophobicContact CD2-CG 4.26Å; T81-R85 WeakPolarHBondContact O-CB 3.46Å; T81-R85 VanDerWaalsContact O-CG 3.28Å; T81-R85 WeakPolarHBondContact O-CG 3.28Å; T81-R85 PolarHBondContact O-N 3.48Å; E82-R85 WeakPolarHBondContact O-CB 3.47Å; E82-R85 PolarHBondContact O-N 3.37Å; E83-R85 PolarHBondContact O-N 3Å; R85-E87 VanDerWaalsContact C-N 3.31Å; R85-E87 PolarHBondContact O-N 3.13Å; R85-V88 PolarHBondContact O-N 2.99Å; R85-V89 PolarHBondContact O-N 2.98Å; R85-G105 PolarHBondContact NH2-O 2.85Å; R85-G107 PolarHBondContact NH2-O 3.37Å; R85-M121 HydrophobicContact CB-CE 3.71Å
86	V	98.9	Very high	98.3	Very high	34 Å²	34	45.6 Å²	45.6	21%	0.206	22%	0.224	C	C	.	.	H	α-helix	trans	-63.1	-40.8	-179.8	177.6	0	0	0	0	111.3	E82 E83 V89 A90 L117 K120 M121 A124	E82-V86 WeakPolarHBondContact O-CG2 3.47Å; E82-V86 PolarHBondContact O-N 2.87Å; E83-V86 PolarHBondContact O-N 3.31Å; V86-V89 PolarHBondContact O-N 2.77Å; V86-A90 PolarHBondContact O-N 2.56Å; V86-L117 HydrophobicContact CG2-CD1 3.86Å; V86-K120 HydrophobicContact CG1-CB 4.46Å; V86-K120 HydrophobicContact CG2-CB 3.73Å; V86-K120 HydrophobicContact CG2-CD 4.17Å; V86-M121 HydrophobicContact CG2-CE 4.28Å; V86-M121 HydrophobicContact CG2-SD 4.37Å; V86-A124 HydrophobicContact CG1-CB 4.05Å
87	E	98.8	Very high	98	Very high	73 Å²	73	47.7 Å²	47.7	34%	0.341	24%	0.239	S	C	.	.	H	α-helix	trans	-68.8	-36.8	-178.7	-176.2	53.5	-142.1	0	0	113.1	Y50 E83 E84 R85 V89 A90 A91 R94	Y50-E87 HydrophobicContact CE1-CG 3.79Å; Y50-E87 WeakPolarHBondContact OH-CG 3.4Å; E83-E87 WeakPolarHBondContact O-CB 3.45Å; E83-E87 PolarHBondContact O-N 3.42Å; E84-E87 PolarHBondContact O-N 3.25Å; R85-E87 VanDerWaalsContact C-N 3.31Å; R85-E87 PolarHBondContact O-N 3.13Å; E87-V89 VanDerWaalsContact C-N 3.29Å; E87-V89 PolarHBondContact O-N 3.29Å; E87-A90 PolarHBondContact O-N 3.37Å; E87-A91 VanDerWaalsContact O-CB 3.31Å; E87-A91 WeakPolarHBondContact O-CB 3.38Å; E87-A91 PolarHBondContact O-N 2.93Å; E87-R94 IonicContact OE1-CZ 3.31Å; E87-R94 IonicContact OE1-NH1 2.72Å; E87-R94 PolarHBondContact OE1-NH1 2.78Å; E87-R94 IonicContact OE1-NH2 3.1Å; E87-R94 PolarHBondContact OE1-NH2 2.91Å
88	V	98.9	Very high	97.5	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.006	27%	0.272	C	S	.	.	H	α-helix	trans	-61.1	-40.6	174.4	168.3	0	0	0	0	110.8	T40 V48 Y50 L53 V70 L80 E84 R85 A91 V92	T40-V88 HydrophobicContact CG2-CG2 4.42Å; V48-V88 HydrophobicContact CG1-CG2 3.85Å; V48-V88 HydrophobicContact CG2-CG2 4.35Å; Y50-V88 HydrophobicContact CE1-CG2 4Å; L53-V88 HydrophobicContact CD2-CG1 4.21Å; V70-V88 HydrophobicContact CG1-CG1 3.67Å; L80-V88 HydrophobicContact CD2-CG2 4.08Å; E84-V88 WeakPolarHBondContact O-CB 3.36Å; E84-V88 VanDerWaalsContact O-CG2 3.23Å; E84-V88 WeakPolarHBondContact O-CG2 3.09Å; E84-V88 PolarHBondContact O-N 2.82Å; R85-V88 PolarHBondContact O-N 2.99Å; V88-A91 PolarHBondContact O-N 2.84Å; V88-V92 VanDerWaalsContact O-CG2 3.26Å; V88-V92 WeakPolarHBondContact O-CG2 3.18Å; V88-V92 PolarHBondContact O-N 2.96Å
89	V	98.9	Very high	97.1	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.3	-44.8	175.2	168.5	0	0	0	0	111.3	V70 R85 V86 E87 A91 V92 R93 L102 A104 M121 A124 A126	V70-V89 HydrophobicContact CB-CG2 4.18Å; V70-V89 HydrophobicContact CG1-CG2 3.77Å; R85-V89 PolarHBondContact O-N 2.98Å; V86-V89 PolarHBondContact O-N 2.77Å; E87-V89 VanDerWaalsContact C-N 3.29Å; E87-V89 PolarHBondContact O-N 3.29Å; V89-A91 VanDerWaalsContact C-N 3.33Å; V89-A91 PolarHBondContact O-N 2.72Å; V89-V92 PolarHBondContact O-N 3.43Å; V89-R93 WeakPolarHBondContact O-CB 3.47Å; V89-R93 PolarHBondContact O-N 2.77Å; V89-L102 HydrophobicContact CG1-CD2 3.8Å; V89-A104 HydrophobicContact CG1-CB 4.22Å; V89-A104 HydrophobicContact CG2-CB 3.84Å; V89-M121 HydrophobicContact CB-SD 3.79Å; V89-M121 HydrophobicContact CG1-SD 4.18Å; V89-M121 HydrophobicContact CG2-CE 4.22Å; V89-M121 HydrophobicContact CG2-SD 3.44Å; V89-M121 WeakPolarHBondContact CG2-SD 3.39Å; V89-A124 HydrophobicContact CB-CB 4.31Å; V89-A124 HydrophobicContact CG1-CB 3.84Å; V89-A126 HydrophobicContact CG1-CB 4.43Å
90	A	98.8	Very high	97.1	Very high	16 Å²	16	50.6 Å²	50.6	13%	0.132	27%	0.273	C	S	.	.	H	α-helix	trans	-60.5	-42.6	176.8	0	0	0	0	0	111.9	V86 E87 R93 R94 A124	V86-A90 PolarHBondContact O-N 2.56Å; E87-A90 PolarHBondContact O-N 3.37Å; A90-R93 PolarHBondContact O-N 3.33Å; A90-R94 WeakPolarHBondContact O-CG 3.25Å; A90-R94 PolarHBondContact O-N 2.94Å; A90-R94 VanDerWaalsContact O-N 3.1Å; A90-A124 HydrophobicContact CB-CB 4.11Å
91	A	98.6	Very high	97	Very high	11 Å²	11	51 Å²	51	9%	0.091	28%	0.275	C	S	.	.	H	α-helix	trans	-61.8	-48.4	176.8	0	0	0	0	0	112.1	Y50 L53 E87 V88 V89 R93 R94 S95	Y50-A91 HydrophobicContact CD1-CB 3.78Å; Y50-A91 HydrophobicContact CE1-CB 4.1Å; L53-A91 HydrophobicContact CD2-CB 4.49Å; E87-A91 VanDerWaalsContact O-CB 3.31Å; E87-A91 WeakPolarHBondContact O-CB 3.38Å; E87-A91 PolarHBondContact O-N 2.93Å; V88-A91 PolarHBondContact O-N 2.84Å; V89-A91 VanDerWaalsContact C-N 3.33Å; V89-A91 PolarHBondContact O-N 2.72Å; A91-R93 VanDerWaalsContact C-N 3.32Å; A91-R93 PolarHBondContact O-N 3.43Å; A91-R94 VanDerWaalsContact CA-NH2 3.33Å; A91-R94 PolarHBondContact O-N 2.83Å; A91-S95 PolarHBondContact O-N 3.29Å
92	V	98.6	Very high	97	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.1	-41.9	177.2	177.2	0	0	0	0	110.7	I38 L53 L57 L68 V70 V88 V89 R94 S95 L96 L102	I38-V92 HydrophobicContact CD1-CG1 4.47Å; I38-V92 HydrophobicContact CD1-CG2 3.78Å; L53-V92 HydrophobicContact CD1-CG2 4.38Å; L53-V92 HydrophobicContact CD2-CG2 4.08Å; L53-V92 HydrophobicContact CG-CG2 4.48Å; L57-V92 HydrophobicContact CD1-CB 4.28Å; L57-V92 HydrophobicContact CD1-CG1 4.27Å; L57-V92 HydrophobicContact CD1-CG2 4.07Å; L57-V92 HydrophobicContact CD2-CG1 4.02Å; L57-V92 HydrophobicContact CD2-CG2 4.39Å; L68-V92 HydrophobicContact CD1-CG1 3.95Å; V70-V92 HydrophobicContact CG1-CG2 4.26Å; V70-V92 HydrophobicContact CG2-CB 4.02Å; V70-V92 HydrophobicContact CG2-CG1 3.77Å; V70-V92 HydrophobicContact CG2-CG2 3.92Å; V88-V92 VanDerWaalsContact O-CG2 3.26Å; V88-V92 WeakPolarHBondContact O-CG2 3.18Å; V88-V92 PolarHBondContact O-N 2.96Å; V89-V92 PolarHBondContact O-N 3.43Å; V92-R94 VanDerWaalsContact C-N 3.31Å; V92-R94 PolarHBondContact O-N 3.07Å; V92-S95 PolarHBondContact O-N 3.43Å; V92-L96 HydrophobicContact CG1-CB 4.5Å; V92-L96 WeakPolarHBondContact O-CB 3.4Å; V92-L96 PolarHBondContact O-N 2.94Å; V92-L102 HydrophobicContact CB-CD1 4Å; V92-L102 HydrophobicContact CG1-CD1 3.71Å; V92-L102 HydrophobicContact CG1-CG 4.47Å
93	R	98	Very high	97	Very high	37 Å²	37	44.5 Å²	44.5	14%	0.14	24%	0.24	C	C	.	.	H	α-helix	trans	-60.4	-40.2	179.2	-176.1	66.2	-85	174.9	0.1	112.5	V89 A90 A91 S95 L96 P97 L102 G125 D127	V89-R93 WeakPolarHBondContact O-CB 3.47Å; V89-R93 PolarHBondContact O-N 2.77Å; A90-R93 PolarHBondContact O-N 3.33Å; A91-R93 VanDerWaalsContact C-N 3.32Å; A91-R93 PolarHBondContact O-N 3.43Å; R93-S95 VanDerWaalsContact C-N 3.27Å; R93-S95 PolarHBondContact O-N 2.9Å; R93-L96 PolarHBondContact NH2-O 2.69Å; R93-L96 PolarHBondContact O-N 3Å; R93-P97 PolarHBondContact NH2-O 3.22Å; R93-L102 HydrophobicContact CB-CD1 3.89Å; R93-G125 WeakPolarHBondContact CD-O 3.43Å; R93-D127 IonicContact NH1-OD1 2.74Å; R93-D127 IonicContact NH1-OD2 2.94Å; R93-D127 PolarHBondContact NH1-OD2 3.06Å
94	R	97.6	Very high	97.1	Very high	165 Å²	165	38.2 Å²	38.2	62%	0.623	21%	0.211	S	C	*	.	H	α-helix	trans	-61.1	-35.1	178.9	-72.9	-176.4	-58.4	-103.5	10.9	112.3	E87 A90 A91 V92	E87-R94 IonicContact OE1-CZ 3.31Å; E87-R94 IonicContact OE1-NH1 2.72Å; E87-R94 PolarHBondContact OE1-NH1 2.78Å; E87-R94 IonicContact OE1-NH2 3.1Å; E87-R94 PolarHBondContact OE1-NH2 2.91Å; A90-R94 WeakPolarHBondContact O-CG 3.25Å; A90-R94 PolarHBondContact O-N 2.94Å; A90-R94 VanDerWaalsContact O-N 3.1Å; A91-R94 VanDerWaalsContact CA-NH2 3.33Å; A91-R94 PolarHBondContact O-N 2.83Å; V92-R94 VanDerWaalsContact C-N 3.31Å; V92-R94 PolarHBondContact O-N 3.07Å
95	S	95.5	Very high	97.1	Very high	48 Å²	48	36.8 Å²	36.8	34%	0.336	21%	0.205	S	C	.	.	H	α-helix	trans	-95.2	-19.7	-177.9	-52.8	0	0	0	0	113.9	A91 V92 R93	A91-S95 PolarHBondContact O-N 3.29Å; V92-S95 PolarHBondContact O-N 3.43Å; R93-S95 VanDerWaalsContact C-N 3.27Å; R93-S95 PolarHBondContact O-N 2.9Å
96	L	94.9	Very high	97.1	Very high	17 Å²	17	35.8 Å²	35.8	9%	0.089	20%	0.202	C	C	.	.	S	Bend	trans	-81.5	131.4	-177.1	-171.6	69.3	0	0	0	111.2	L68 V92 R93 K100 L102	L68-L96 HydrophobicContact CD1-CD1 3.74Å; L68-L96 HydrophobicContact CG-CD1 3.98Å; V92-L96 HydrophobicContact CG1-CB 4.5Å; V92-L96 WeakPolarHBondContact O-CB 3.4Å; V92-L96 PolarHBondContact O-N 2.94Å; R93-L96 PolarHBondContact NH2-O 2.69Å; R93-L96 PolarHBondContact O-N 3Å; L96-K100 HydrophobicContact CD1-CB 3.73Å; L96-K100 HydrophobicContact CD1-CD 4.04Å; L96-K100 HydrophobicContact CD1-CG 4.45Å; L96-K100 HydrophobicContact CD2-CB 4.17Å; L96-K100 WeakPolarHBondContact CD2-O 3.37Å; L96-K100 HydrophobicContact CG-CB 3.89Å; L96-L102 HydrophobicContact CD2-CB 3.94Å; L96-L102 HydrophobicContact CD2-CD1 4.29Å; L96-L102 HydrophobicContact CD2-CG 4.43Å
97	P	93.3	Very high	97	Very high	49 Å²	49	34.3 Å²	34.3	32%	0.318	19%	0.193	S	C	.	.			trans	-61.3	148.5	175.2	-25.1	35.4	0	0	0	113.1	D61 R93 G99 K100	D61-P97 VanDerWaalsContact OD1-CG 3.26Å; D61-P97 WeakPolarHBondContact OD1-CG 3.45Å; R93-P97 PolarHBondContact NH2-O 3.22Å; P97-G99 PolarHBondContact O-N 3.25Å; P97-K100 PolarHBondContact O-N 3.08Å
98	L	87.6	Confident	97	Very high	170 Å²	170	32.1 Å²	32.1	89%	0.89	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-21.7	-179.6	-68.4	175.5	0	0	0	114
99	G	90.4	Very high	97	Very high	74 Å²	74	36.3 Å²	36.3	76%	0.763	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-13.6	176.9	0	0	0	0	0	114.8	P97	P97-G99 PolarHBondContact O-N 3.25Å
100	K	97	Very high	97	Very high	27 Å²	27	38.9 Å²	38.9	12%	0.117	22%	0.223	C	C	.	.	S	Bend	trans	-103	133.5	178.8	-66.4	-164.2	-171.2	-168	0	110	Y60 D61 I63 L96 P97	Y60-K100 PolarHBondContact O-NZ 3.03Å; D61-K100 VanDerWaalsContact C-NZ 3.35Å; D61-K100 VanDerWaalsContact CA-NZ 3.33Å; D61-K100 PolarHBondContact O-NZ 2.88Å; D61-K100 VanDerWaalsContact OD1-CE 3.27Å; D61-K100 WeakPolarHBondContact OD1-CE 3.32Å; D61-K100 IonicContact OD1-NZ 3.43Å; D61-K100 PolarHBondContact OD1-NZ 3Å; I63-K100 PolarHBondContact O-NZ 3.12Å; L96-K100 HydrophobicContact CD1-CB 3.73Å; L96-K100 HydrophobicContact CD1-CD 4.04Å; L96-K100 HydrophobicContact CD1-CG 4.45Å; L96-K100 HydrophobicContact CD2-CB 4.17Å; L96-K100 WeakPolarHBondContact CD2-O 3.37Å; L96-K100 HydrophobicContact CG-CB 3.89Å; P97-K100 PolarHBondContact O-N 3.08Å
101	L	98.3	Very high	97	Very high	25 Å²	25	40.1 Å²	40.1	13%	0.131	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	143.5	-178.9	-64.4	-177.9	0	0	0	112.1	L29 D30 Y35 K66 G67 L68 L103 D127	L29-L101 HydrophobicContact CD1-CD1 4.31Å; L29-L101 HydrophobicContact CD1-CD2 3.66Å; L29-L101 HydrophobicContact CD2-CD1 3.7Å; L29-L101 HydrophobicContact CG-CD1 3.9Å; L29-L101 HydrophobicContact CG-CD2 3.92Å; D30-L101 WeakPolarHBondContact O-CD1 3.42Å; Y35-L101 HydrophobicContact CE1-CB 4.21Å; K66-L101 HydrophobicContact CD-CD1 4.45Å; K66-L101 HydrophobicContact CG-CD1 4.23Å; K66-L101 PolarHBondContact O-N 2.82Å; G67-L101 CarbonylContact C-O 3.59Å; G67-L101 WeakPolarHBondContact CA-O 3.5Å; L68-L101 PolarHBondContact N-O 2.97Å; L101-L103 HydrophobicContact CB-CD1 3.84Å; L101-D127 WeakPolarHBondContact CA-OD2 3.27Å; L101-D127 HydrophobicContact CD2-CB 4.11Å
102	L	98.7	Very high	97.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	109	171.1	-164.4	154.4	0	0	0	109.9	V70 V89 V92 R93 L96 A104 A126 D127 A128	V70-L102 HydrophobicContact CG2-CD1 4.47Å; V70-L102 HydrophobicContact CG2-CD2 4.2Å; V70-L102 HydrophobicContact CG2-CG 4.13Å; V89-L102 HydrophobicContact CG1-CD2 3.8Å; V92-L102 HydrophobicContact CB-CD1 4Å; V92-L102 HydrophobicContact CG1-CD1 3.71Å; V92-L102 HydrophobicContact CG1-CG 4.47Å; R93-L102 HydrophobicContact CB-CD1 3.89Å; L96-L102 HydrophobicContact CD2-CB 3.94Å; L96-L102 HydrophobicContact CD2-CD1 4.29Å; L96-L102 HydrophobicContact CD2-CG 4.43Å; L102-A104 HydrophobicContact CD2-CB 4.03Å; L102-A126 HydrophobicContact CD2-CB 3.99Å; L102-D127 PolarHBondContact N-OD2 3.37Å; L102-D127 PolarHBondContact O-N 2.9Å; L102-A128 PolarHBondContact O-N 2.96Å
103	L	98.9	Very high	97.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	111.1	174.9	-81.6	61.9	0	0	0	109	L31 Y35 L68 V69 V70 L101 A128	L31-L103 HydrophobicContact CD2-CD2 4.32Å; Y35-L103 HydrophobicContact CD1-CD1 4.27Å; Y35-L103 HydrophobicContact CD1-CD2 4.39Å; Y35-L103 HydrophobicContact CE1-CD1 3.71Å; Y35-L103 HydrophobicContact CE1-CD2 4.18Å; L68-L103 PolarHBondContact O-N 3.49Å; V69-L103 CarbonylContact C-O 3.46Å; V69-L103 WeakPolarHBondContact CA-O 3.27Å; V69-L103 HydrophobicContact CB-CB 4.49Å; V69-L103 HydrophobicContact CG2-CB 3.73Å; V69-L103 HydrophobicContact CG2-CD2 3.94Å; V69-L103 HydrophobicContact CG2-CG 4.47Å; V70-L103 PolarHBondContact N-O 2.95Å; L101-L103 HydrophobicContact CB-CD1 3.84Å; L103-A128 WeakPolarHBondContact CA-O 3.33Å; L103-A128 HydrophobicContact CG-CB 4.33Å
104	A	98.9	Very high	97.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	127.8	-176.1	0	0	0	0	0	112.8	V70 V89 L102 S106 M121 A126 A128 V129 L130	V70-A104 CarbonylContact O-C 3.52Å; V89-A104 HydrophobicContact CG1-CB 4.22Å; V89-A104 HydrophobicContact CG2-CB 3.84Å; L102-A104 HydrophobicContact CD2-CB 4.03Å; A104-S106 PolarHBondContact O-N 2.94Å; A104-S106 VanDerWaalsContact O-N 3.14Å; A104-M121 HydrophobicContact CB-CB 3.99Å; A104-M121 HydrophobicContact CB-CG 4.21Å; A104-M121 HydrophobicContact CB-SD 4.4Å; A104-A126 HydrophobicContact CB-CB 3.54Å; A104-A128 PolarHBondContact N-O 3.42Å; A104-V129 CarbonylContact O-C 3.49Å; A104-V129 VanDerWaalsContact O-CA 3.23Å; A104-V129 WeakPolarHBondContact O-CA 3.5Å; A104-L130 PolarHBondContact O-N 2.95Å
105	G	98.8	Very high	97.2	Very high	5 Å²	5	41.8 Å²	41.8	5%	0.052	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	101	174	0	0	0	0	0	112.2	V70 Q71 R85 L130	V70-G105 PolarHBondContact O-N 2.87Å; Q71-G105 WeakPolarHBondContact O-CA 3.49Å; R85-G105 PolarHBondContact NH2-O 2.85Å; G105-L130 WeakPolarHBondContact CA-O 3.39Å
106	S	98.9	Very high	97.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.248	C	C	.	.			trans	-107.5	0.1	-177.6	68.5	0	0	0	0	114.2	A104 T118 V129 L130	A104-S106 PolarHBondContact O-N 2.94Å; A104-S106 VanDerWaalsContact O-N 3.14Å; S106-T118 WeakPolarHBondContact CB-OG1 3.29Å; S106-T118 PolarHBondContact OG-OG1 2.8Å; S106-V129 WeakPolarHBondContact OG-CB 3.45Å; S106-L130 PolarHBondContact N-O 3.18Å
107	G	98.7	Very high	97.5	Very high	2 Å²	2	43.6 Å²	43.6	2%	0.021	24%	0.244	C	C	.	.			trans	-60.4	137.3	-179.4	0	0	0	0	0	113.2	R85	R85-G107 PolarHBondContact NH2-O 3.37Å
108	C	98.8	Very high	97.8	Very high	27 Å²	27	41.3 Å²	41.3	18%	0.182	23%	0.229	C	C	.	.			trans	-137.8	164.4	173	-65.3	0	0	0	0	108.8	S110 A113 T114	C108-S110 VanDerWaalsContact C-N 3.33Å; C108-S110 PolarHBondContact O-N 2.97Å; C108-A113 HydrophobicContact CB-CB 3.77Å; C108-T114 PolarHBondContact N-OG1 2.63Å; C108-T114 VanDerWaalsContact N-OG1 3.1Å; C108-T114 PolarHBondContact O-OG1 3.33Å
109	E	98.8	Very high	98.3	Very high	89 Å²	89	35.3 Å²	35.3	42%	0.416	21%	0.205	S	C	.	.	S	Bend	trans	-66.4	-32.2	179.9	-74.6	-65.6	146.7	0	0	113.3	C135 F136	E109-C135 PolarHBondContact OE1-N 3.34Å; E109-C135 VanDerWaalsContact OE1-N 3.13Å; E109-C135 PolarHBondContact OE1-SG 2.91Å; E109-C135 PolarHBondContact OE2-N 3.38Å; E109-F136 HydrophobicContact CG-CB 4.33Å; E109-F136 PolarHBondContact OE1-N 3.39Å; E109-F136 WeakPolarHBondContact OE2-CB 3.43Å; E109-F136 PolarHBondContact OE2-N 3.25Å
110	S	98.8	Very high	98.7	Very high	55 Å²	55	36.2 Å²	36.2	39%	0.385	19%	0.188	S	C	.	.	S	Bend	trans	-99.5	137.3	177.4	84.3	0	0	0	0	111.7	C108 R112 A113 T114	C108-S110 VanDerWaalsContact C-N 3.33Å; C108-S110 PolarHBondContact O-N 2.97Å; S110-R112 PolarHBondContact O-N 3.39Å; S110-A113 PolarHBondContact O-N 3.35Å; S110-A113 VanDerWaalsContact O-N 3.13Å; S110-A113 WeakPolarHBondContact OG-CB 3.44Å; S110-A113 PolarHBondContact OG-N 3.36Å; S110-A113 VanDerWaalsContact OG-N 3.13Å; S110-T114 PolarHBondContact O-N 2.78Å; S110-T114 PolarHBondContact O-OG1 3.03Å; S110-T114 VanDerWaalsContact O-OG1 3.12Å
111	T	98.9	Very high	98.8	Very high	41 Å²	41	35 Å²	35	25%	0.252	18%	0.182	S	C	.	.	H	α-helix	trans	-54.3	-40.7	175.7	-48.1	0	0	0	0	112.4	T114 V115 H149 K152 V153	T111-T114 PolarHBondContact O-N 3.31Å; T111-V115 WeakPolarHBondContact O-CG2 3.42Å; T111-V115 PolarHBondContact O-N 3.01Å; T111-H149 WeakPolarHBondContact CA-ND1 3.41Å; T111-H149 PolarHBondContact OG1-ND1 3.29Å; T111-K152 HydrophobicContact CG2-CB 3.67Å; T111-K152 HydrophobicContact CG2-CG 4.46Å; T111-V153 HydrophobicContact CG2-CG2 4.32Å
112	R	98.8	Very high	98.8	Very high	189 Å²	189	34.6 Å²	34.6	71%	0.713	18%	0.183	S	C	*	.	H	α-helix	trans	-62.5	-46.7	178.5	-177.4	177.1	65.9	-149.5	-0.5	111.8	S110 V115 Q116	S110-R112 PolarHBondContact O-N 3.39Å; R112-V115 PolarHBondContact O-N 2.93Å; R112-Q116 WeakPolarHBondContact O-CG 3.49Å; R112-Q116 PolarHBondContact O-N 3.25Å
113	A	98.9	Very high	98.8	Very high	23 Å²	23	38.9 Å²	38.9	19%	0.19	22%	0.218	C	C	.	.	H	α-helix	trans	-65.3	-40.6	177.8	0	0	0	0	0	111.2	C108 S110 V115 Q116 L117	C108-A113 HydrophobicContact CB-CB 3.77Å; S110-A113 PolarHBondContact O-N 3.35Å; S110-A113 VanDerWaalsContact O-N 3.13Å; S110-A113 WeakPolarHBondContact OG-CB 3.44Å; S110-A113 PolarHBondContact OG-N 3.36Å; S110-A113 VanDerWaalsContact OG-N 3.13Å; A113-V115 PolarHBondContact O-N 3.28Å; A113-Q116 PolarHBondContact O-N 3.39Å; A113-L117 WeakPolarHBondContact O-CB 3.42Å; A113-L117 PolarHBondContact O-N 3.14Å
114	T	98.9	Very high	98.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.6	-44.4	175.7	-55.5	0	0	0	0	111.6	C108 S110 T111 T118 V131 V153	C108-T114 PolarHBondContact N-OG1 2.63Å; C108-T114 VanDerWaalsContact N-OG1 3.1Å; C108-T114 PolarHBondContact O-OG1 3.33Å; S110-T114 PolarHBondContact O-N 2.78Å; S110-T114 PolarHBondContact O-OG1 3.03Å; S110-T114 VanDerWaalsContact O-OG1 3.12Å; T111-T114 PolarHBondContact O-N 3.31Å; T114-T118 WeakPolarHBondContact O-CB 3.41Å; T114-T118 PolarHBondContact O-N 2.78Å; T114-T118 PolarHBondContact O-OG1 2.93Å; T114-V131 HydrophobicContact CG2-CG1 3.71Å; T114-V131 HydrophobicContact CG2-CG2 4.4Å; T114-V153 HydrophobicContact CG2-CB 4.46Å; T114-V153 HydrophobicContact CG2-CG1 4.01Å; T114-V153 HydrophobicContact CG2-CG2 3.53Å
115	V	98.9	Very high	98.8	Very high	36 Å²	36	41 Å²	41	22%	0.218	24%	0.238	C	C	.	.	H	α-helix	trans	-59.8	-48.5	175.1	167.6	0	0	0	0	111.4	T111 R112 A113 T118 A119 V153	T111-V115 WeakPolarHBondContact O-CG2 3.42Å; T111-V115 PolarHBondContact O-N 3.01Å; R112-V115 PolarHBondContact O-N 2.93Å; A113-V115 PolarHBondContact O-N 3.28Å; V115-T118 PolarHBondContact O-N 2.85Å; V115-A119 PolarHBondContact O-N 2.94Å; V115-A119 VanDerWaalsContact O-N 3.1Å; V115-V153 HydrophobicContact CG2-CG2 4.12Å
116	Q	98.9	Very high	98.8	Very high	102 Å²	102	41 Å²	41	48%	0.477	24%	0.237	S	C	.	.	H	α-helix	trans	-62.3	-47.7	-179.5	-73.3	172.1	-24.8	0	0	111.8	R112 A113 T118 A119 K120	R112-Q116 WeakPolarHBondContact O-CG 3.49Å; R112-Q116 PolarHBondContact O-N 3.25Å; A113-Q116 PolarHBondContact O-N 3.39Å; Q116-T118 VanDerWaalsContact C-N 3.34Å; Q116-T118 PolarHBondContact O-N 3.27Å; Q116-A119 PolarHBondContact O-N 2.89Å; Q116-K120 WeakPolarHBondContact O-CG 3.35Å; Q116-K120 PolarHBondContact O-N 3.22Å; Q116-K120 VanDerWaalsContact O-N 3.15Å
117	L	98.9	Very high	98.8	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-67.5	-37.7	179.8	-170.6	57.2	0	0	0	111.5	E82 V86 A113 A119 K120 M121	E82-L117 HydrophobicContact CG-CD1 3.73Å; V86-L117 HydrophobicContact CG2-CD1 3.86Å; A113-L117 WeakPolarHBondContact O-CB 3.42Å; A113-L117 PolarHBondContact O-N 3.14Å; L117-A119 VanDerWaalsContact C-N 3.33Å; L117-A119 PolarHBondContact O-N 3.33Å; L117-K120 PolarHBondContact O-N 2.89Å; L117-K120 VanDerWaalsContact O-N 3.15Å; L117-M121 HydrophobicContact CD1-CE 3.77Å; L117-M121 HydrophobicContact CD1-CG 4.42Å; L117-M121 HydrophobicContact CD2-CE 4.27Å; L117-M121 HydrophobicContact CG-CE 4.03Å; L117-M121 HydrophobicContact CG-CG 4.25Å; L117-M121 VanDerWaalsContact O-CG 3.26Å; L117-M121 WeakPolarHBondContact O-CG 3.36Å; L117-M121 PolarHBondContact O-N 2.83Å
118	T	98.9	Very high	98.8	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-57.4	-45.4	174.9	-68.7	0	0	0	0	111.7	S106 T114 V115 Q116 K120 M121 A122 V129 S157	S106-T118 WeakPolarHBondContact CB-OG1 3.29Å; S106-T118 PolarHBondContact OG-OG1 2.8Å; T114-T118 WeakPolarHBondContact O-CB 3.41Å; T114-T118 PolarHBondContact O-N 2.78Å; T114-T118 PolarHBondContact O-OG1 2.93Å; V115-T118 PolarHBondContact O-N 2.85Å; Q116-T118 VanDerWaalsContact C-N 3.34Å; Q116-T118 PolarHBondContact O-N 3.27Å; T118-K120 PolarHBondContact O-N 3.26Å; T118-M121 PolarHBondContact O-N 3.23Å; T118-A122 WeakPolarHBondContact O-CB 3.37Å; T118-A122 PolarHBondContact O-N 2.77Å; T118-V129 HydrophobicContact CG2-CB 4.47Å; T118-V129 HydrophobicContact CG2-CG1 4.1Å; T118-V129 HydrophobicContact CG2-CG2 3.79Å; T118-S157 WeakPolarHBondContact CG2-OG 3.28Å
119	A	98.8	Very high	98.8	Very high	45 Å²	45	42 Å²	42	37%	0.372	24%	0.241	S	C	.	.	H	α-helix	trans	-62.7	-40.8	175.7	0	0	0	0	0	112.2	V115 Q116 L117 A123	V115-A119 PolarHBondContact O-N 2.94Å; V115-A119 VanDerWaalsContact O-N 3.1Å; Q116-A119 PolarHBondContact O-N 2.89Å; L117-A119 VanDerWaalsContact C-N 3.33Å; L117-A119 PolarHBondContact O-N 3.33Å; A119-A123 WeakPolarHBondContact O-CB 3.27Å; A119-A123 PolarHBondContact O-N 2.96Å
120	K	98.9	Very high	98.8	Very high	93 Å²	93	38 Å²	38	40%	0.404	22%	0.222	S	C	.	.	H	α-helix	trans	-65.5	-42.2	176.2	-68.1	-179.3	176.8	-172.9	0	112.5	E82 V86 Q116 L117 T118 A123 A124	E82-K120 WeakPolarHBondContact OE1-CE 3.46Å; E82-K120 IonicContact OE1-NZ 3.15Å; E82-K120 PolarHBondContact OE1-NZ 2.81Å; V86-K120 HydrophobicContact CG1-CB 4.46Å; V86-K120 HydrophobicContact CG2-CB 3.73Å; V86-K120 HydrophobicContact CG2-CD 4.17Å; Q116-K120 WeakPolarHBondContact O-CG 3.35Å; Q116-K120 PolarHBondContact O-N 3.22Å; Q116-K120 VanDerWaalsContact O-N 3.15Å; L117-K120 PolarHBondContact O-N 2.89Å; L117-K120 VanDerWaalsContact O-N 3.15Å; T118-K120 PolarHBondContact O-N 3.26Å; K120-A123 PolarHBondContact O-N 3.29Å; K120-A124 WeakPolarHBondContact O-CB 3.15Å; K120-A124 PolarHBondContact O-N 3.01Å
121	M	98.8	Very high	98.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.1	-39.9	177.5	-68.6	-55	-178.1	0	0	112.2	R85 V86 V89 A104 L117 T118 A124 G125 A126 V129	R85-M121 HydrophobicContact CB-CE 3.71Å; V86-M121 HydrophobicContact CG2-CE 4.28Å; V86-M121 HydrophobicContact CG2-SD 4.37Å; V89-M121 HydrophobicContact CB-SD 3.79Å; V89-M121 HydrophobicContact CG1-SD 4.18Å; V89-M121 HydrophobicContact CG2-CE 4.22Å; V89-M121 HydrophobicContact CG2-SD 3.44Å; V89-M121 WeakPolarHBondContact CG2-SD 3.39Å; A104-M121 HydrophobicContact CB-CB 3.99Å; A104-M121 HydrophobicContact CB-CG 4.21Å; A104-M121 HydrophobicContact CB-SD 4.4Å; L117-M121 HydrophobicContact CD1-CE 3.77Å; L117-M121 HydrophobicContact CD1-CG 4.42Å; L117-M121 HydrophobicContact CD2-CE 4.27Å; L117-M121 HydrophobicContact CG-CE 4.03Å; L117-M121 HydrophobicContact CG-CG 4.25Å; L117-M121 VanDerWaalsContact O-CG 3.26Å; L117-M121 WeakPolarHBondContact O-CG 3.36Å; L117-M121 PolarHBondContact O-N 2.83Å; T118-M121 PolarHBondContact O-N 3.23Å; M121-A124 PolarHBondContact O-N 3.07Å; M121-G125 PolarHBondContact O-N 3.02Å; M121-A126 HydrophobicContact CB-CB 4.39Å; M121-A126 VanDerWaalsContact O-CB 3.27Å; M121-A126 WeakPolarHBondContact O-CB 3.44Å; M121-A126 PolarHBondContact O-N 2.8Å; M121-V129 HydrophobicContact CB-CG1 4.25Å
122	A	98.8	Very high	98.8	Very high	17 Å²	17	34 Å²	34	14%	0.14	20%	0.195	C	C	.	.	H	α-helix	trans	-63.2	-44.4	173	0	0	0	0	0	111.9	T118 A124 G125 P158 V159	T118-A122 WeakPolarHBondContact O-CB 3.37Å; T118-A122 PolarHBondContact O-N 2.77Å; A122-A124 PolarHBondContact O-N 2.89Å; A122-G125 WeakPolarHBondContact O-CA 3.28Å; A122-G125 PolarHBondContact O-N 3.02Å; A122-P158 HydrophobicContact CB-CB 4.48Å; A122-P158 HydrophobicContact CB-CG 3.38Å; A122-V159 HydrophobicContact CB-CB 4.42Å; A122-V159 HydrophobicContact CB-CG1 3.76Å; A122-V159 HydrophobicContact CB-CG2 3.84Å
123	A	98.8	Very high	98.7	Very high	91 Å²	91	25 Å²	25	75%	0.752	16%	0.161	S	C	*	.	H	α-helix	trans	-63.5	-29.9	175.3	0	0	0	0	0	112.9	A119 K120 G125	A119-A123 WeakPolarHBondContact O-CB 3.27Å; A119-A123 PolarHBondContact O-N 2.96Å; K120-A123 PolarHBondContact O-N 3.29Å; A123-G125 PolarHBondContact O-N 2.93Å
124	A	98.7	Very high	98.7	Very high	18 Å²	18	24.1 Å²	24.1	15%	0.149	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-4.1	171.6	0	0	0	0	0	113.7	V86 V89 A90 K120 M121 A122	V86-A124 HydrophobicContact CG1-CB 4.05Å; V89-A124 HydrophobicContact CB-CB 4.31Å; V89-A124 HydrophobicContact CG1-CB 3.84Å; A90-A124 HydrophobicContact CB-CB 4.11Å; K120-A124 WeakPolarHBondContact O-CB 3.15Å; K120-A124 PolarHBondContact O-N 3.01Å; M121-A124 PolarHBondContact O-N 3.07Å; A122-A124 PolarHBondContact O-N 2.89Å
125	G	98.1	Very high	98.7	Very high	25 Å²	25	25.5 Å²	25.5	26%	0.258	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.7	23.4	172.2	0	0	0	0	0	115.4	R93 M121 A122 A123	R93-G125 WeakPolarHBondContact CD-O 3.43Å; M121-G125 PolarHBondContact O-N 3.02Å; A122-G125 WeakPolarHBondContact O-CA 3.28Å; A122-G125 PolarHBondContact O-N 3.02Å; A123-G125 PolarHBondContact O-N 2.93Å
126	A	98.6	Very high	98.6	Very high	5 Å²	5	31 Å²	31	4%	0.041	18%	0.184	C	C	.	.			trans	-62.8	135	166.5	0	0	0	0	0	111.4	V89 L102 A104 M121 V159	V89-A126 HydrophobicContact CG1-CB 4.43Å; L102-A126 HydrophobicContact CD2-CB 3.99Å; A104-A126 HydrophobicContact CB-CB 3.54Å; M121-A126 HydrophobicContact CB-CB 4.39Å; M121-A126 VanDerWaalsContact O-CB 3.27Å; M121-A126 WeakPolarHBondContact O-CB 3.44Å; M121-A126 PolarHBondContact O-N 2.8Å; A126-V159 WeakPolarHBondContact O-CG1 3.43Å
127	D	98.6	Very high	98.6	Very high	52 Å²	52	33.9 Å²	33.9	28%	0.278	19%	0.192	S	C	.	.	S	Bend	trans	-82.5	-28.3	175.2	-61.4	-61.9	0	0	0	111.4	L29 R93 L101 L102 P160	L29-D127 HydrophobicContact CD1-CB 3.75Å; R93-D127 IonicContact NH1-OD1 2.74Å; R93-D127 IonicContact NH1-OD2 2.94Å; R93-D127 PolarHBondContact NH1-OD2 3.06Å; L101-D127 WeakPolarHBondContact CA-OD2 3.27Å; L101-D127 HydrophobicContact CD2-CB 4.11Å; L102-D127 PolarHBondContact N-OD2 3.37Å; L102-D127 PolarHBondContact O-N 2.9Å; D127-P160 VanDerWaalsContact O-CD 3.28Å; D127-P160 WeakPolarHBondContact O-CD 3.08Å
128	A	98.8	Very high	98.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	161.8	172	0	0	0	0	0	109.9	L102 L103 A104 P160 V162	L102-A128 PolarHBondContact O-N 2.96Å; L103-A128 WeakPolarHBondContact CA-O 3.33Å; L103-A128 HydrophobicContact CG-CB 4.33Å; A104-A128 PolarHBondContact N-O 3.42Å; A128-P160 CarbonylContact C-O 3.51Å; A128-P160 VanDerWaalsContact CA-O 3.29Å; A128-P160 WeakPolarHBondContact CA-O 3.43Å; A128-P160 WeakPolarHBondContact CB-O 3.41Å; A128-V162 HydrophobicContact CB-CG2 4.41Å
129	V	98.9	Very high	98.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	136.5	175.7	-69.5	0	0	0	0	112.4	A104 S106 T118 M121 V131 V159 P160 V161 V162	A104-V129 CarbonylContact O-C 3.49Å; A104-V129 VanDerWaalsContact O-CA 3.23Å; A104-V129 WeakPolarHBondContact O-CA 3.5Å; S106-V129 WeakPolarHBondContact OG-CB 3.45Å; T118-V129 HydrophobicContact CG2-CB 4.47Å; T118-V129 HydrophobicContact CG2-CG1 4.1Å; T118-V129 HydrophobicContact CG2-CG2 3.79Å; M121-V129 HydrophobicContact CB-CG1 4.25Å; V129-V131 HydrophobicContact CB-CG2 4.46Å; V129-V131 HydrophobicContact CG2-CG2 4.12Å; V129-V159 HydrophobicContact CG1-CG2 3.92Å; V129-V159 HydrophobicContact CG2-CG2 4.41Å; V129-P160 PolarHBondContact N-O 3.37Å; V129-V161 HydrophobicContact CG2-CB 4.43Å; V129-V161 HydrophobicContact CG2-CG2 3.91Å; V129-V162 PolarHBondContact O-N 2.74Å
130	L	98.9	Very high	98.4	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.016	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	113.7	175.7	-174	70.3	0	0	0	109.2	V69 A104 G105 S106 V162 Y164 K192	V69-L130 HydrophobicContact CG1-CD2 3.79Å; A104-L130 PolarHBondContact O-N 2.95Å; G105-L130 WeakPolarHBondContact CA-O 3.39Å; S106-L130 PolarHBondContact N-O 3.18Å; L130-V162 WeakPolarHBondContact CA-O 2.83Å; L130-V162 HydrophobicContact CD1-CB 3.95Å; L130-V162 HydrophobicContact CD1-CG1 3.74Å; L130-Y164 HydrophobicContact CD1-CG 4.21Å; L130-Y164 HydrophobicContact CD2-CD1 4.02Å; L130-Y164 HydrophobicContact CD2-CE1 4.47Å; L130-Y164 HydrophobicContact CD2-CG 4.23Å; L130-Y164 HydrophobicContact CG-CD1 4.11Å; L130-Y164 HydrophobicContact CG-CG 4.11Å; L130-K192 HydrophobicContact CD1-CB 3.96Å; L130-K192 HydrophobicContact CD1-CD 4.26Å; L130-K192 HydrophobicContact CD2-CD 3.97Å
131	V	98.9	Very high	98.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	108.8	-171.1	-177.4	0	0	0	0	110	T114 V129 F150 V153 V161 V162 Y164	T114-V131 HydrophobicContact CG2-CG1 3.71Å; T114-V131 HydrophobicContact CG2-CG2 4.4Å; V129-V131 HydrophobicContact CB-CG2 4.46Å; V129-V131 HydrophobicContact CG2-CG2 4.12Å; V131-F150 HydrophobicContact CB-CD1 4.36Å; V131-F150 HydrophobicContact CB-CE1 3.77Å; V131-F150 HydrophobicContact CG1-CD1 4.08Å; V131-F150 HydrophobicContact CG1-CE1 3.53Å; V131-F150 HydrophobicContact CG1-CZ 4.42Å; V131-F150 WeakPolarHBondContact O-CE1 3.27Å; V131-V153 HydrophobicContact CG2-CG1 4.19Å; V131-V161 HydrophobicContact CB-CG1 4.34Å; V131-V161 HydrophobicContact CG2-CG1 3.95Å; V131-V162 PolarHBondContact N-O 3Å; V131-Y164 WeakPolarHBondContact O-CB 3.34Å; V131-Y164 PolarHBondContact O-N 2.77Å
132	V	98.8	Very high	98.3	Very high	12 Å²	12	50.1 Å²	50.1	7%	0.073	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	146.9	174.1	68.7	0	0	0	0	110.8	Y164 V166 T170	V132-Y164 HydrophobicContact CB-CD1 3.75Å; V132-Y164 HydrophobicContact CB-CE1 4.4Å; V132-Y164 HydrophobicContact CB-CG 4.44Å; V132-Y164 HydrophobicContact CG2-CD1 4Å; V132-Y164 HydrophobicContact CG2-CE1 4.35Å; V132-V166 HydrophobicContact CG2-CG1 3.86Å; V132-T170 HydrophobicContact CG2-CG2 3.79Å
133	N	97.1	Very high	98.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-62	134.1	172.6	64.7	-86.1	0	0	0	111	L146 Y164 T170 L172	N133-L146 HydrophobicContact CB-CD2 4.07Å; N133-Y164 PolarHBondContact N-O 2.91Å; N133-T170 WeakPolarHBondContact ND2-CB 3.37Å; N133-L172 WeakPolarHBondContact ND2-CD1 3.38Å; N133-L172 WeakPolarHBondContact ND2-CD2 3.29Å; N133-L172 WeakPolarHBondContact ND2-CG 3.23Å
134	P	98.5	Very high	98.3	Very high	5 Å²	5	55.2 Å²	55.2	3%	0.032	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-54.8	141.8	164.3	-23.9	34.1	0	0	0	109.9	M141	P134-M141 HydrophobicContact CB-SD 3.92Å
135	C	98.4	Very high	98.3	Very high	29 Å²	29	55.7 Å²	55.7	20%	0.196	28%	0.283	C	S	.	.			trans	-144.9	-16.2	-166.6	71.6	0	0	0	0	115.3	E109 Y137 K138 T170 L172	E109-C135 PolarHBondContact OE1-N 3.34Å; E109-C135 VanDerWaalsContact OE1-N 3.13Å; E109-C135 PolarHBondContact OE1-SG 2.91Å; E109-C135 PolarHBondContact OE2-N 3.38Å; C135-Y137 VanDerWaalsContact C-N 3.26Å; C135-Y137 PolarHBondContact O-N 3.19Å; C135-K138 WeakPolarHBondContact O-CB 3.42Å; C135-K138 PolarHBondContact O-N 2.92Å; C135-K138 VanDerWaalsContact O-N 3.07Å; C135-T170 HydrophobicContact CB-CG2 3.92Å; C135-L172 HydrophobicContact CB-CD2 3.81Å
136	F	98.4	Very high	98.3	Very high	153 Å²	153	54.5 Å²	54.5	67%	0.671	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-40.9	-179.2	-170	-92.4	0	0	0	111.7	E109	E109-F136 HydrophobicContact CG-CB 4.33Å; E109-F136 PolarHBondContact OE1-N 3.39Å; E109-F136 WeakPolarHBondContact OE2-CB 3.43Å; E109-F136 PolarHBondContact OE2-N 3.25Å
137	Y	98.1	Very high	98.4	Very high	161 Å²	161	56.1 Å²	56.1	63%	0.631	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	42.4	175.4	-56.9	-72.7	0	0	0	112.8	C135 G139 K140	C135-Y137 VanDerWaalsContact C-N 3.26Å; C135-Y137 PolarHBondContact O-N 3.19Å; Y137-G139 PolarHBondContact O-N 3.49Å; Y137-K140 PolarHBondContact O-N 2.9Å
138	K	96.4	Very high	98.4	Very high	124 Å²	124	59 Å²	59	54%	0.539	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-47.4	-34.1	-172.9	61.7	-176	179.6	-175.1	0	115.8	C135 K140 M141 L172	C135-K138 WeakPolarHBondContact O-CB 3.42Å; C135-K138 PolarHBondContact O-N 2.92Å; C135-K138 VanDerWaalsContact O-N 3.07Å; K138-K140 PolarHBondContact O-N 3.01Å; K138-M141 PolarHBondContact O-N 3.46Å; K138-M141 VanDerWaalsContact O-N 3.09Å; K138-L172 HydrophobicContact CB-CD2 3.48Å; K138-L172 VanDerWaalsContact CB-CD2 3.48Å
139	G	97.4	Very high	98.4	Very high	74 Å²	74	59.2 Å²	59.2	76%	0.763	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-64.2	-10.1	177	0	0	0	0	0	115.1	Y137	Y137-G139 PolarHBondContact O-N 3.49Å
140	K	97.9	Very high	98.4	Very high	164 Å²	164	59.2 Å²	59.2	71%	0.713	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-120.6	5.3	174.9	-63.8	-61.2	-178	-173.1	0	113.4	Y137 K138 D142	Y137-K140 PolarHBondContact O-N 2.9Å; K138-K140 PolarHBondContact O-N 3.01Å; K140-D142 PolarHBondContact O-N 3.22Å; K140-D142 VanDerWaalsContact O-N 3.13Å
141	M	98.5	Very high	98.4	Very high	45 Å²	45	61.2 Å²	61.2	22%	0.222	30%	0.303	C	S	.	.			trans	-88.5	59.1	175.8	-62.1	-61.7	101.2	0	0	110.2	P134 K138 A145 L146 L172	P134-M141 HydrophobicContact CB-SD 3.92Å; K138-M141 PolarHBondContact O-N 3.46Å; K138-M141 VanDerWaalsContact O-N 3.09Å; M141-A145 HydrophobicContact CE-CB 4.45Å; M141-L146 HydrophobicContact CB-CD1 4.42Å; M141-L146 HydrophobicContact CB-CD2 4.24Å; M141-L146 HydrophobicContact CB-CG 4.28Å; M141-L146 WeakPolarHBondContact O-CD1 3.38Å; M141-L146 HydrophobicContact SD-CD2 4.44Å; M141-L172 HydrophobicContact CB-CD1 4.41Å
142	D	98.1	Very high	98.4	Very high	75 Å²	75	65.8 Å²	65.8	40%	0.401	32%	0.323	S	S	.	.			trans	-72	172.2	173	65.9	23.6	0	0	0	111.6	K140 R144 A145 L146	K140-D142 PolarHBondContact O-N 3.22Å; K140-D142 VanDerWaalsContact O-N 3.13Å; D142-R144 PolarHBondContact O-N 2.95Å; D142-R144 WeakPolarHBondContact OD1-CB 3.49Å; D142-R144 PolarHBondContact OD1-N 3.48Å; D142-R144 VanDerWaalsContact OD1-N 3.15Å; D142-A145 PolarHBondContact O-N 2.92Å; D142-A145 VanDerWaalsContact O-N 3.16Å; D142-A145 WeakPolarHBondContact OD1-CB 3.44Å; D142-A145 PolarHBondContact OD1-N 2.93Å; D142-L146 PolarHBondContact O-N 2.69Å
143	S	98.7	Very high	98.4	Very high	25 Å²	25	65.2 Å²	65.2	18%	0.175	32%	0.32	C	S	.	.	H	α-helix	trans	-53.5	-41.1	179	-58.2	0	0	0	0	112.2	A145 L146 I147 P175 D177	S143-A145 PolarHBondContact O-N 3.41Å; S143-L146 PolarHBondContact O-N 2.67Å; S143-I147 VanDerWaalsContact O-CB 3.28Å; S143-I147 WeakPolarHBondContact O-CB 3.41Å; S143-I147 VanDerWaalsContact O-CD1 3.29Å; S143-I147 WeakPolarHBondContact O-CD1 3.42Å; S143-I147 WeakPolarHBondContact O-CG1 3.34Å; S143-I147 PolarHBondContact O-N 3.22Å; S143-P175 WeakPolarHBondContact OG-CB 3.36Å; S143-D177 WeakPolarHBondContact CB-OD2 2.94Å; S143-D177 PolarHBondContact OG-OD1 3.47Å; S143-D177 PolarHBondContact OG-OD2 3.36Å
144	R	98.7	Very high	98.5	Very high	190 Å²	190	65.3 Å²	65.3	72%	0.717	32%	0.321	S	S	*	.	H	α-helix	trans	-63.6	-44.6	-179.4	179.4	-173.9	62.9	102.8	6	111.5	D142 H148	D142-R144 PolarHBondContact O-N 2.95Å; D142-R144 WeakPolarHBondContact OD1-CB 3.49Å; D142-R144 PolarHBondContact OD1-N 3.48Å; D142-R144 VanDerWaalsContact OD1-N 3.15Å; R144-H148 WeakPolarHBondContact O-CB 3.33Å; R144-H148 PolarHBondContact O-N 3.44Å
145	A	98.8	Very high	98.5	Very high	27 Å²	27	69.7 Å²	69.7	22%	0.223	34%	0.344	C	S	.	.	H	α-helix	trans	-64.3	-45.8	178	0	0	0	0	0	111.5	M141 D142 S143 H148 H149	M141-A145 HydrophobicContact CE-CB 4.45Å; D142-A145 PolarHBondContact O-N 2.92Å; D142-A145 VanDerWaalsContact O-N 3.16Å; D142-A145 WeakPolarHBondContact OD1-CB 3.44Å; D142-A145 PolarHBondContact OD1-N 2.93Å; S143-A145 PolarHBondContact O-N 3.41Å; A145-H148 PolarHBondContact O-N 2.73Å; A145-H149 WeakPolarHBondContact O-CB 3.31Å; A145-H149 PolarHBondContact O-N 3.06Å
146	L	98.8	Very high	98.5	Very high	1 Å²	1	71.5 Å²	71.5	1%	0.005	36%	0.357	C	S	.	.	H	α-helix	trans	-69	-42.9	-179.2	-68	171.6	0	0	0	112	N133 M141 D142 S143 H148 H149 F150 L172 L174	N133-L146 HydrophobicContact CB-CD2 4.07Å; M141-L146 HydrophobicContact CB-CD1 4.42Å; M141-L146 HydrophobicContact CB-CD2 4.24Å; M141-L146 HydrophobicContact CB-CG 4.28Å; M141-L146 WeakPolarHBondContact O-CD1 3.38Å; M141-L146 HydrophobicContact SD-CD2 4.44Å; D142-L146 PolarHBondContact O-N 2.69Å; S143-L146 PolarHBondContact O-N 2.67Å; L146-H148 VanDerWaalsContact C-N 3.35Å; L146-H148 PolarHBondContact O-N 3.4Å; L146-H149 WeakPolarHBondContact O-CB 3.23Å; L146-H149 PolarHBondContact O-N 2.8Å; L146-F150 WeakPolarHBondContact O-CD2 3.33Å; L146-F150 PolarHBondContact O-N 3.44Å; L146-L172 HydrophobicContact CD1-CD1 4.06Å; L146-L174 HydrophobicContact CB-CD1 3.89Å; L146-L174 HydrophobicContact CD1-CD1 3.72Å; L146-L174 HydrophobicContact CG-CD1 4.31Å
147	I	98.9	Very high	98.5	Very high	38 Å²	38	64.7 Å²	64.7	20%	0.195	33%	0.329	C	S	.	.	H	α-helix	trans	-56.3	-51.7	173.2	-69.1	160.9	0	0	0	109.5	S143 H149 F150 T151 A178 E181 L182	S143-I147 VanDerWaalsContact O-CB 3.28Å; S143-I147 WeakPolarHBondContact O-CB 3.41Å; S143-I147 VanDerWaalsContact O-CD1 3.29Å; S143-I147 WeakPolarHBondContact O-CD1 3.42Å; S143-I147 WeakPolarHBondContact O-CG1 3.34Å; S143-I147 PolarHBondContact O-N 3.22Å; I147-H149 VanDerWaalsContact C-N 3.31Å; I147-H149 PolarHBondContact O-N 3.24Å; I147-F150 PolarHBondContact O-N 3.45Å; I147-T151 WeakPolarHBondContact O-CB 3.41Å; I147-T151 PolarHBondContact O-N 3.36Å; I147-T151 PolarHBondContact O-OG1 2.86Å; I147-A178 HydrophobicContact CD1-CB 4.14Å; I147-A178 HydrophobicContact CG1-CB 3.76Å; I147-E181 HydrophobicContact CD1-CB 4.11Å; I147-E181 HydrophobicContact CD1-CG 4.14Å; I147-E181 HydrophobicContact CG1-CB 4.4Å; I147-E181 HydrophobicContact CG1-CG 4.45Å; I147-E181 HydrophobicContact CG2-CG 4.19Å; I147-L182 HydrophobicContact CG1-CG 4.39Å; I147-L182 HydrophobicContact CG2-CD2 4.34Å
148	H	98.9	Very high	98.5	Very high	112 Å²	112	61.4 Å²	61.4	52%	0.519	33%	0.327	S	S	.	.	H	α-helix	trans	-58	-43.4	179.6	-179.1	76	0	0	0	112.7	R144 A145 L146 K152	R144-H148 WeakPolarHBondContact O-CB 3.33Å; R144-H148 PolarHBondContact O-N 3.44Å; A145-H148 PolarHBondContact O-N 2.73Å; L146-H148 VanDerWaalsContact C-N 3.35Å; L146-H148 PolarHBondContact O-N 3.4Å; H148-K152 WeakPolarHBondContact O-CB 3.14Å; H148-K152 VanDerWaalsContact O-CG 3.31Å; H148-K152 WeakPolarHBondContact O-CG 3.26Å; H148-K152 PolarHBondContact O-N 2.93Å; H148-K152 VanDerWaalsContact O-N 3.08Å
149	H	98.9	Very high	98.6	Very high	6 Å²	6	56.6 Å²	56.6	3%	0.028	31%	0.308	C	S	.	.	H	α-helix	trans	-58.3	-55.8	176.8	174.8	82.4	0	0	0	111.7	T111 A145 L146 I147 K152 V153	T111-H149 WeakPolarHBondContact CA-ND1 3.41Å; T111-H149 PolarHBondContact OG1-ND1 3.29Å; A145-H149 WeakPolarHBondContact O-CB 3.31Å; A145-H149 PolarHBondContact O-N 3.06Å; L146-H149 WeakPolarHBondContact O-CB 3.23Å; L146-H149 PolarHBondContact O-N 2.8Å; I147-H149 VanDerWaalsContact C-N 3.31Å; I147-H149 PolarHBondContact O-N 3.24Å; H149-K152 PolarHBondContact O-N 3Å; H149-V153 WeakPolarHBondContact O-CG2 3.42Å; H149-V153 PolarHBondContact O-N 3.18Å
150	F	98.9	Very high	98.7	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-68.3	-37.9	-175.9	-76.6	-69	0	0	0	112.7	V131 L146 I147 K152 V153 A154 L163 L174 L182	V131-F150 HydrophobicContact CB-CD1 4.36Å; V131-F150 HydrophobicContact CB-CE1 3.77Å; V131-F150 HydrophobicContact CG1-CD1 4.08Å; V131-F150 HydrophobicContact CG1-CE1 3.53Å; V131-F150 HydrophobicContact CG1-CZ 4.42Å; V131-F150 WeakPolarHBondContact O-CE1 3.27Å; L146-F150 WeakPolarHBondContact O-CD2 3.33Å; L146-F150 PolarHBondContact O-N 3.44Å; I147-F150 PolarHBondContact O-N 3.45Å; F150-K152 PolarHBondContact O-N 3.08Å; F150-V153 PolarHBondContact O-N 3.5Å; F150-A154 VanDerWaalsContact O-CB 3.27Å; F150-A154 WeakPolarHBondContact O-CB 3.5Å; F150-A154 PolarHBondContact O-N 3.1Å; F150-L163 HydrophobicContact CB-CD2 4.12Å; F150-L163 HydrophobicContact CD1-CD2 3.32Å; F150-L163 HydrophobicContact CD2-CD2 4.14Å; F150-L163 HydrophobicContact CE1-CD2 3.62Å; F150-L163 HydrophobicContact CE2-CD2 4.43Å; F150-L163 HydrophobicContact CG-CD2 3.61Å; F150-L163 HydrophobicContact CZ-CD2 4.18Å; F150-L174 HydrophobicContact CD2-CD1 4.45Å; F150-L174 HydrophobicContact CE2-CD1 3.97Å; F150-L174 HydrophobicContact CE2-CD2 4.2Å; F150-L182 HydrophobicContact CB-CD1 3.68Å; F150-L182 HydrophobicContact CB-CD2 3.55Å; F150-L182 HydrophobicContact CB-CG 4.27Å; F150-L182 HydrophobicContact CD2-CD1 3.69Å; F150-L182 HydrophobicContact CG-CD1 3.94Å
151	T	98.9	Very high	98.7	Very high	44 Å²	44	46.5 Å²	46.5	27%	0.27	25%	0.245	S	C	.	.	H	α-helix	trans	-59	-47.5	173.2	-59.3	0	0	0	0	110.6	I147 V153 A154 D155	I147-T151 WeakPolarHBondContact O-CB 3.41Å; I147-T151 PolarHBondContact O-N 3.36Å; I147-T151 PolarHBondContact O-OG1 2.86Å; T151-V153 VanDerWaalsContact C-N 3.33Å; T151-V153 PolarHBondContact O-N 3.22Å; T151-A154 PolarHBondContact O-N 2.73Å; T151-D155 WeakPolarHBondContact O-CB 3.33Å; T151-D155 PolarHBondContact O-N 3.36Å
152	K	98.9	Very high	98.7	Very high	96 Å²	96	44.3 Å²	44.3	42%	0.417	24%	0.235	S	C	.	.	H	α-helix	trans	-62.6	-38.6	178.7	-76.1	-66	-177.5	-169.1	0	113.5	T111 H148 H149 F150 S156	T111-K152 HydrophobicContact CG2-CB 3.67Å; T111-K152 HydrophobicContact CG2-CG 4.46Å; H148-K152 WeakPolarHBondContact O-CB 3.14Å; H148-K152 VanDerWaalsContact O-CG 3.31Å; H148-K152 WeakPolarHBondContact O-CG 3.26Å; H148-K152 PolarHBondContact O-N 2.93Å; H148-K152 VanDerWaalsContact O-N 3.08Å; H149-K152 PolarHBondContact O-N 3Å; F150-K152 PolarHBondContact O-N 3.08Å; K152-S156 PolarHBondContact O-N 3.34Å; K152-S156 PolarHBondContact O-OG 3.28Å
153	V	98.9	Very high	98.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.2	-48.4	174.8	174.6	0	0	0	0	110.2	T111 T114 V115 V131 H149 F150 T151 S156 S157 V161	T111-V153 HydrophobicContact CG2-CG2 4.32Å; T114-V153 HydrophobicContact CG2-CB 4.46Å; T114-V153 HydrophobicContact CG2-CG1 4.01Å; T114-V153 HydrophobicContact CG2-CG2 3.53Å; V115-V153 HydrophobicContact CG2-CG2 4.12Å; V131-V153 HydrophobicContact CG2-CG1 4.19Å; H149-V153 WeakPolarHBondContact O-CG2 3.42Å; H149-V153 PolarHBondContact O-N 3.18Å; F150-V153 PolarHBondContact O-N 3.5Å; T151-V153 VanDerWaalsContact C-N 3.33Å; T151-V153 PolarHBondContact O-N 3.22Å; V153-S156 PolarHBondContact O-N 2.84Å; V153-S157 VanDerWaalsContact O-CB 3.25Å; V153-S157 WeakPolarHBondContact O-CB 3.29Å; V153-S157 PolarHBondContact O-N 2.92Å; V153-V161 HydrophobicContact CG1-CG2 4.2Å
154	A	98.9	Very high	98.8	Very high	2 Å²	2	40 Å²	40	2%	0.017	21%	0.209	C	C	.	.	H	α-helix	trans	-67.9	-36.4	-177.7	0	0	0	0	0	113.4	F150 T151 S156 V161 H185 N187 I188	F150-A154 VanDerWaalsContact O-CB 3.27Å; F150-A154 WeakPolarHBondContact O-CB 3.5Å; F150-A154 PolarHBondContact O-N 3.1Å; T151-A154 PolarHBondContact O-N 2.73Å; A154-S156 PolarHBondContact O-N 3.31Å; A154-V161 HydrophobicContact CB-CG2 4.06Å; A154-H185 VanDerWaalsContact CB-CE1 3.4Å; A154-H185 WeakPolarHBondContact CB-CE1 3.36Å; A154-H185 WeakPolarHBondContact CB-ND1 3.05Å; A154-N187 HydrophobicContact CB-CB 4.39Å; A154-N187 PolarHBondContact O-ND2 2.93Å; A154-I188 HydrophobicContact CB-CD1 3.93Å; A154-I188 HydrophobicContact CB-CG1 3.6Å
155	D	98.8	Very high	98.8	Very high	97 Å²	97	31 Å²	31	52%	0.519	18%	0.175	S	C	.	.	H	α-helix	trans	-59.7	-35.6	173.3	-75.6	-21.9	0	0	0	111.9	T151 H185	T151-D155 WeakPolarHBondContact O-CB 3.33Å; T151-D155 PolarHBondContact O-N 3.36Å; D155-H185 IonicContact OD1-NE2 3.31Å; D155-H185 PolarHBondContact OD1-NE2 2.93Å; D155-H185 VanDerWaalsContact OD1-NE2 3.15Å
156	S	98.6	Very high	98.8	Very high	67 Å²	67	30 Å²	30	47%	0.469	17%	0.166	S	C	.	.	H	α-helix	trans	-99.3	-9.5	-173.2	-49.4	0	0	0	0	113.3	K152 V153 A154	K152-S156 PolarHBondContact O-N 3.34Å; K152-S156 PolarHBondContact O-OG 3.28Å; V153-S156 PolarHBondContact O-N 2.84Å; A154-S156 PolarHBondContact O-N 3.31Å
157	S	98.6	Very high	98.7	Very high	11 Å²	11	31.5 Å²	31.5	8%	0.077	18%	0.176	C	C	.	.			trans	-81.8	125	-172.4	-174.4	0	0	0	0	111.1	T118 V153 V159 N187	T118-S157 WeakPolarHBondContact CG2-OG 3.28Å; V153-S157 VanDerWaalsContact O-CB 3.25Å; V153-S157 WeakPolarHBondContact O-CB 3.29Å; V153-S157 PolarHBondContact O-N 2.92Å; S157-V159 VanDerWaalsContact CB-O 3.3Å; S157-V159 WeakPolarHBondContact CB-O 2.96Å; S157-V159 PolarHBondContact O-N 2.93Å; S157-V159 PolarHBondContact OG-N 2.76Å; S157-V159 PolarHBondContact OG-O 2.85Å; S157-N187 PolarHBondContact O-ND2 2.77Å
158	P	98.3	Very high	98.7	Very high	91 Å²	91	34 Å²	34	59%	0.591	20%	0.203	S	C	*	.	S	Bend	trans	-72.5	-13.6	175	31.5	-37.4	0	0	0	113.1	A122	A122-P158 HydrophobicContact CB-CB 4.48Å; A122-P158 HydrophobicContact CB-CG 3.38Å
159	V	98.5	Very high	98.6	Very high	23 Å²	23	34 Å²	34	14%	0.139	21%	0.207	C	C	.	.	S	Bend	trans	-125.6	160.8	177.9	-62.1	0	0	0	0	110.4	A122 A126 V129 S157 N187	A122-V159 HydrophobicContact CB-CB 4.42Å; A122-V159 HydrophobicContact CB-CG1 3.76Å; A122-V159 HydrophobicContact CB-CG2 3.84Å; A126-V159 WeakPolarHBondContact O-CG1 3.43Å; V129-V159 HydrophobicContact CG1-CG2 3.92Å; V129-V159 HydrophobicContact CG2-CG2 4.41Å; S157-V159 VanDerWaalsContact CB-O 3.3Å; S157-V159 WeakPolarHBondContact CB-O 2.96Å; S157-V159 PolarHBondContact O-N 2.93Å; S157-V159 PolarHBondContact OG-N 2.76Å; S157-V159 PolarHBondContact OG-O 2.85Å; V159-N187 PolarHBondContact O-ND2 2.87Å
160	P	98.6	Very high	98.6	Very high	26 Å²	26	34.3 Å²	34.3	17%	0.169	21%	0.209	C	C	.	.			trans	-67	149.8	-176.8	-16	29.9	0	0	0	113.8	D127 A128 V129 N187 L189	D127-P160 VanDerWaalsContact O-CD 3.28Å; D127-P160 WeakPolarHBondContact O-CD 3.08Å; A128-P160 CarbonylContact C-O 3.51Å; A128-P160 VanDerWaalsContact CA-O 3.29Å; A128-P160 WeakPolarHBondContact CA-O 3.43Å; A128-P160 WeakPolarHBondContact CB-O 3.41Å; V129-P160 PolarHBondContact N-O 3.37Å; P160-N187 WeakPolarHBondContact CA-OD1 3.32Å; P160-L189 HydrophobicContact CB-CD1 3.27Å; P160-L189 HydrophobicContact CB-CD2 4.21Å; P160-L189 HydrophobicContact CB-CG 3.43Å; P160-L189 VanDerWaalsContact CB-CG 3.43Å; P160-L189 HydrophobicContact CG-CD1 3.7Å; P160-L189 HydrophobicContact CG-CG 4.26Å
161	V	98.9	Very high	98.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	134.7	-179.3	178.8	0	0	0	0	110.4	V129 V131 V153 A154 N187 I188 L189	V129-V161 HydrophobicContact CG2-CB 4.43Å; V129-V161 HydrophobicContact CG2-CG2 3.91Å; V131-V161 HydrophobicContact CB-CG1 4.34Å; V131-V161 HydrophobicContact CG2-CG1 3.95Å; V153-V161 HydrophobicContact CG1-CG2 4.2Å; A154-V161 HydrophobicContact CB-CG2 4.06Å; V161-N187 PolarHBondContact N-O 3.14Å; V161-I188 HydrophobicContact CB-CG1 4.3Å; V161-I188 CarbonylContact O-C 3.59Å; V161-I188 WeakPolarHBondContact O-CA 3.36Å; V161-L189 PolarHBondContact O-N 3.13Å
162	V	98.9	Very high	98.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	120.9	169.1	-174.7	0	0	0	0	107.9	L31 A128 V129 L130 V131	L31-V162 HydrophobicContact CD1-CG2 3.8Å; L31-V162 HydrophobicContact CD2-CG2 4.14Å; A128-V162 HydrophobicContact CB-CG2 4.41Å; V129-V162 PolarHBondContact O-N 2.74Å; L130-V162 WeakPolarHBondContact CA-O 2.83Å; L130-V162 HydrophobicContact CD1-CB 3.95Å; L130-V162 HydrophobicContact CD1-CG1 3.74Å; V131-V162 PolarHBondContact N-O 3Å
163	L	98.9	Very high	98.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	146.3	176.2	-51.8	179	0	0	0	109.5	F150 L174 L182 I188 G190 L191 K192 F213	F150-L163 HydrophobicContact CB-CD2 4.12Å; F150-L163 HydrophobicContact CD1-CD2 3.32Å; F150-L163 HydrophobicContact CD2-CD2 4.14Å; F150-L163 HydrophobicContact CE1-CD2 3.62Å; F150-L163 HydrophobicContact CE2-CD2 4.43Å; F150-L163 HydrophobicContact CG-CD2 3.61Å; F150-L163 HydrophobicContact CZ-CD2 4.18Å; L163-L174 HydrophobicContact CB-CD2 4.1Å; L163-L174 HydrophobicContact CD1-CD2 3.94Å; L163-L174 HydrophobicContact CG-CD2 4.5Å; L163-L182 HydrophobicContact CD1-CB 4Å; L163-L182 HydrophobicContact CD1-CD1 4.03Å; L163-L182 HydrophobicContact CD2-CD1 4.18Å; L163-I188 HydrophobicContact CD1-CG2 4.16Å; L163-I188 HydrophobicContact CD2-CD1 4.38Å; L163-I188 HydrophobicContact CD2-CG2 4.04Å; L163-I188 HydrophobicContact CG-CG2 3.88Å; L163-G190 WeakPolarHBondContact CB-O 3.49Å; L163-G190 WeakPolarHBondContact CG-O 3.38Å; L163-G190 PolarHBondContact N-O 3.34Å; L163-L191 HydrophobicContact CB-CB 4.34Å; L163-L191 HydrophobicContact CB-CD1 3.76Å; L163-L191 CarbonylContact O-C 3.58Å; L163-L191 WeakPolarHBondContact O-CA 3.25Å; L163-K192 PolarHBondContact O-N 2.75Å; L163-F213 HydrophobicContact CD1-CE2 4.11Å; L163-F213 HydrophobicContact CD1-CZ 4.01Å
164	Y	98.9	Very high	98.3	Very high	10 Å²	10	34.5 Å²	34.5	4%	0.039	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	113.4	177.1	179.9	-153.2	0	0	0	112	S73 L130 V131 V132 N133 V166 K192	S73-Y164 PolarHBondContact OG-OH 3.05Å; S73-Y164 VanDerWaalsContact OG-OH 3.13Å; L130-Y164 HydrophobicContact CD1-CG 4.21Å; L130-Y164 HydrophobicContact CD2-CD1 4.02Å; L130-Y164 HydrophobicContact CD2-CE1 4.47Å; L130-Y164 HydrophobicContact CD2-CG 4.23Å; L130-Y164 HydrophobicContact CG-CD1 4.11Å; L130-Y164 HydrophobicContact CG-CG 4.11Å; V131-Y164 WeakPolarHBondContact O-CB 3.34Å; V131-Y164 PolarHBondContact O-N 2.77Å; V132-Y164 HydrophobicContact CB-CD1 3.75Å; V132-Y164 HydrophobicContact CB-CE1 4.4Å; V132-Y164 HydrophobicContact CB-CG 4.44Å; V132-Y164 HydrophobicContact CG2-CD1 4Å; V132-Y164 HydrophobicContact CG2-CE1 4.35Å; N133-Y164 PolarHBondContact N-O 2.91Å; Y164-V166 HydrophobicContact CD1-CG1 4.34Å; Y164-V166 HydrophobicContact CD2-CB 4.3Å; Y164-V166 HydrophobicContact CD2-CG1 4.33Å; Y164-V166 HydrophobicContact CE1-CB 4.39Å; Y164-V166 HydrophobicContact CE1-CG1 3.74Å; Y164-V166 HydrophobicContact CE2-CB 3.5Å; Y164-V166 HydrophobicContact CE2-CG1 3.74Å; Y164-V166 HydrophobicContact CE2-CG2 4.29Å; Y164-K192 HydrophobicContact CD2-CB 4.02Å; Y164-K192 HydrophobicContact CD2-CD 3.59Å; Y164-K192 HydrophobicContact CD2-CG 3.88Å; Y164-K192 HydrophobicContact CE2-CD 3.56Å; Y164-K192 VanDerWaalsContact CE2-CE 3.41Å; Y164-K192 HydrophobicContact CE2-CG 4.06Å; Y164-K192 HydrophobicContact CG-CD 4.3Å; Y164-K192 PolarHBondContact OH-NZ 2.91Å
165	S	98.8	Very high	98.3	Very high	0 Å²	0	36 Å²	36	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	119.4	174.5	-167.9	0	0	0	0	109.8	L174 K192 S194	S165-L174 PolarHBondContact OG-N 3.2Å; S165-K192 PolarHBondContact N-O 3.39Å; S165-S194 WeakPolarHBondContact O-CB 3.3Å; S165-S194 PolarHBondContact O-N 3.18Å
166	V	98.5	Very high	98.3	Very high	6 Å²	6	32.9 Å²	32.9	4%	0.036	22%	0.217	C	C	.	.			trans	-141.7	75.1	-179.2	56	0	0	0	0	111.7	V132 Y164 A168 N169 T170	V132-V166 HydrophobicContact CG2-CG1 3.86Å; Y164-V166 HydrophobicContact CD1-CG1 4.34Å; Y164-V166 HydrophobicContact CD2-CB 4.3Å; Y164-V166 HydrophobicContact CD2-CG1 4.33Å; Y164-V166 HydrophobicContact CE1-CB 4.39Å; Y164-V166 HydrophobicContact CE1-CG1 3.74Å; Y164-V166 HydrophobicContact CE2-CB 3.5Å; Y164-V166 HydrophobicContact CE2-CG1 3.74Å; Y164-V166 HydrophobicContact CE2-CG2 4.29Å; V166-A168 PolarHBondContact O-N 2.89Å; V166-A168 VanDerWaalsContact O-N 3.07Å; V166-N169 HydrophobicContact CG1-CB 4.29Å; V166-N169 HydrophobicContact CG2-CB 4.19Å; V166-N169 WeakPolarHBondContact CG2-OD1 3.3Å; V166-N169 PolarHBondContact O-N 3.11Å; V166-T170 HydrophobicContact CG1-CG2 3.98Å; V166-T170 PolarHBondContact O-N 2.78Å; V166-T170 PolarHBondContact O-OG1 2.93Å
167	P	98.1	Very high	98.3	Very high	32 Å²	32	34.2 Å²	34.2	21%	0.208	22%	0.22	C	C	.	.	H	α-helix	trans	-59.5	-26	-174.2	25.4	-37.4	0	0	0	113.7	N169 T170 G171 D173	P167-N169 PolarHBondContact O-N 3.29Å; P167-T170 WeakPolarHBondContact CA-OG1 3.29Å; P167-G171 VanDerWaalsContact O-CA 3.27Å; P167-G171 WeakPolarHBondContact O-CA 3.47Å; P167-G171 PolarHBondContact O-N 3.42Å; P167-D173 WeakPolarHBondContact CG-OD1 3.32Å
168	A	97.3	Very high	98.3	Very high	92 Å²	92	33.7 Å²	33.7	76%	0.76	22%	0.216	S	C	*	.	H	α-helix	trans	-59	-29.3	174.6	0	0	0	0	0	113.3	V166	V166-A168 PolarHBondContact O-N 2.89Å; V166-A168 VanDerWaalsContact O-N 3.07Å
169	N	97.4	Very high	98.3	Very high	112 Å²	112	29.4 Å²	29.4	60%	0.599	19%	0.188	S	C	*	.	H	α-helix	trans	-103.8	-35.1	177.8	-68.7	75	0	0	0	112.3	V166 P167	V166-N169 HydrophobicContact CG1-CB 4.29Å; V166-N169 HydrophobicContact CG2-CB 4.19Å; V166-N169 WeakPolarHBondContact CG2-OD1 3.3Å; V166-N169 PolarHBondContact O-N 3.11Å; P167-N169 PolarHBondContact O-N 3.29Å
170	T	98.1	Very high	98.4	Very high	12 Å²	12	30 Å²	30	7%	0.074	19%	0.191	C	C	.	.	H	α-helix	trans	-96.6	-18.6	-171.7	60.2	0	0	0	0	113.3	V132 N133 C135 V166 P167 L172	V132-T170 HydrophobicContact CG2-CG2 3.79Å; N133-T170 WeakPolarHBondContact ND2-CB 3.37Å; C135-T170 HydrophobicContact CB-CG2 3.92Å; V166-T170 HydrophobicContact CG1-CG2 3.98Å; V166-T170 PolarHBondContact O-N 2.78Å; V166-T170 PolarHBondContact O-OG1 2.93Å; P167-T170 WeakPolarHBondContact CA-OG1 3.29Å; T170-L172 PolarHBondContact O-N 2.9Å; T170-L172 PolarHBondContact OG1-N 2.95Å; T170-L172 PolarHBondContact OG1-O 3.45Å
171	G	97.8	Very high	98.4	Very high	47 Å²	47	33.6 Å²	33.6	49%	0.485	21%	0.206	S	C	.	.	S	Bend	trans	64.9	18	-173.3	0	0	0	0	0	114.2	P167	P167-G171 VanDerWaalsContact O-CA 3.27Å; P167-G171 WeakPolarHBondContact O-CA 3.47Å; P167-G171 PolarHBondContact O-N 3.42Å
172	L	96.5	Very high	98.4	Very high	24 Å²	24	33.8 Å²	33.8	13%	0.126	21%	0.207	C	C	.	.			trans	-149.6	145.5	171.6	72.5	117.4	0	0	0	112.1	N133 C135 K138 M141 L146 T170	N133-L172 WeakPolarHBondContact ND2-CD1 3.38Å; N133-L172 WeakPolarHBondContact ND2-CD2 3.29Å; N133-L172 WeakPolarHBondContact ND2-CG 3.23Å; C135-L172 HydrophobicContact CB-CD2 3.81Å; K138-L172 HydrophobicContact CB-CD2 3.48Å; K138-L172 VanDerWaalsContact CB-CD2 3.48Å; M141-L172 HydrophobicContact CB-CD1 4.41Å; L146-L172 HydrophobicContact CD1-CD1 4.06Å; T170-L172 PolarHBondContact O-N 2.9Å; T170-L172 PolarHBondContact OG1-N 2.95Å; T170-L172 PolarHBondContact OG1-O 3.45Å
173	D	97.9	Very high	98.4	Very high	72 Å²	72	34 Å²	34	39%	0.385	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-87.3	144.3	167.7	-72.4	-69.3	0	0	0	110.6	P167 P175	P167-D173 WeakPolarHBondContact CG-OD1 3.32Å; D173-P175 VanDerWaalsContact O-CD 3.26Å; D173-P175 WeakPolarHBondContact O-CD 3.32Å
174	L	98.5	Very high	98.4	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-65.5	118	165.7	-178.2	59.3	0	0	0	108.9	L146 F150 L163 S165 A178 V179 R200	L146-L174 HydrophobicContact CB-CD1 3.89Å; L146-L174 HydrophobicContact CD1-CD1 3.72Å; L146-L174 HydrophobicContact CG-CD1 4.31Å; F150-L174 HydrophobicContact CD2-CD1 4.45Å; F150-L174 HydrophobicContact CE2-CD1 3.97Å; F150-L174 HydrophobicContact CE2-CD2 4.2Å; L163-L174 HydrophobicContact CB-CD2 4.1Å; L163-L174 HydrophobicContact CD1-CD2 3.94Å; L163-L174 HydrophobicContact CG-CD2 4.5Å; S165-L174 PolarHBondContact OG-N 3.2Å; L174-A178 HydrophobicContact CD1-CB 4.12Å; L174-V179 HydrophobicContact CB-CG2 4.35Å; L174-V179 HydrophobicContact CD2-CG2 3.68Å; L174-V179 HydrophobicContact CG-CG2 3.71Å; L174-R200 PolarHBondContact O-NH1 3.32Å; L174-R200 PolarHBondContact O-NH2 3.24Å
175	P	98.6	Very high	98.3	Very high	35 Å²	35	40.1 Å²	40.1	23%	0.227	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-58.4	144.1	-175.1	-28.2	38.1	0	0	0	113.2	S143 D173 D177 A178 V179	S143-P175 WeakPolarHBondContact OG-CB 3.36Å; D173-P175 VanDerWaalsContact O-CD 3.26Å; D173-P175 WeakPolarHBondContact O-CD 3.32Å; P175-D177 VanDerWaalsContact C-N 3.31Å; P175-D177 WeakPolarHBondContact CB-OD1 3.4Å; P175-D177 PolarHBondContact O-N 3.35Å; P175-A178 HydrophobicContact CB-CB 4.28Å; P175-A178 WeakPolarHBondContact O-CB 3.28Å; P175-A178 PolarHBondContact O-N 3.48Å; P175-A178 VanDerWaalsContact O-N 3.09Å; P175-V179 WeakPolarHBondContact O-CG2 3.49Å; P175-V179 PolarHBondContact O-N 3.5Å
176	V	98.8	Very high	98.3	Very high	30 Å²	30	44.8 Å²	44.8	18%	0.182	27%	0.268	C	S	.	.	H	α-helix	trans	-62.3	-38.9	-175.5	174.8	0	0	0	0	111.6	A178 V179 V180 R200 L203 I204 K207	V176-A178 VanDerWaalsContact C-N 3.31Å; V176-A178 PolarHBondContact O-N 2.93Å; V176-V179 PolarHBondContact O-N 2.81Å; V176-V180 HydrophobicContact CG1-CG2 4.28Å; V176-V180 VanDerWaalsContact O-CG2 3.26Å; V176-V180 WeakPolarHBondContact O-CG2 3.26Å; V176-V180 PolarHBondContact O-N 3.29Å; V176-R200 HydrophobicContact CG2-CG 4.18Å; V176-L203 HydrophobicContact CG1-CD2 4.17Å; V176-L203 HydrophobicContact CG1-CG 4.33Å; V176-I204 HydrophobicContact CG1-CG1 4.18Å; V176-I204 HydrophobicContact CG2-CG1 4.27Å; V176-K207 HydrophobicContact CG1-CD 4.21Å
177	D	98.7	Very high	98.3	Very high	96 Å²	96	46.2 Å²	46.2	51%	0.513	28%	0.275	S	S	.	.	H	α-helix	trans	-59.4	-41.6	173.8	59.1	-51.7	0	0	0	111.7	S143 P175 V180 E181	S143-D177 WeakPolarHBondContact CB-OD2 2.94Å; S143-D177 PolarHBondContact OG-OD1 3.47Å; S143-D177 PolarHBondContact OG-OD2 3.36Å; P175-D177 VanDerWaalsContact C-N 3.31Å; P175-D177 WeakPolarHBondContact CB-OD1 3.4Å; P175-D177 PolarHBondContact O-N 3.35Å; D177-V180 PolarHBondContact O-N 3.3Å; D177-E181 PolarHBondContact O-N 3.4Å
178	A	98.8	Very high	98.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.4	-43.4	173.9	0	0	0	0	0	112.3	I147 L174 P175 V176 V180 E181 L182	I147-A178 HydrophobicContact CD1-CB 4.14Å; I147-A178 HydrophobicContact CG1-CB 3.76Å; L174-A178 HydrophobicContact CD1-CB 4.12Å; P175-A178 HydrophobicContact CB-CB 4.28Å; P175-A178 WeakPolarHBondContact O-CB 3.28Å; P175-A178 PolarHBondContact O-N 3.48Å; P175-A178 VanDerWaalsContact O-N 3.09Å; V176-A178 VanDerWaalsContact C-N 3.31Å; V176-A178 PolarHBondContact O-N 2.93Å; A178-V180 VanDerWaalsContact C-N 3.34Å; A178-V180 PolarHBondContact O-N 3.21Å; A178-E181 PolarHBondContact O-N 3.09Å; A178-L182 VanDerWaalsContact O-CB 3.32Å; A178-L182 WeakPolarHBondContact O-CB 3.22Å; A178-L182 WeakPolarHBondContact O-CD1 3.3Å; A178-L182 WeakPolarHBondContact O-CG 3.48Å; A178-L182 PolarHBondContact O-N 3.24Å
179	V	98.9	Very high	98.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.8	-45.1	176.1	177.6	0	0	0	0	111.2	L174 P175 V176 L182 S183 L191 I204 F213	L174-V179 HydrophobicContact CB-CG2 4.35Å; L174-V179 HydrophobicContact CD2-CG2 3.68Å; L174-V179 HydrophobicContact CG-CG2 3.71Å; P175-V179 WeakPolarHBondContact O-CG2 3.49Å; P175-V179 PolarHBondContact O-N 3.5Å; V176-V179 PolarHBondContact O-N 2.81Å; V179-L182 PolarHBondContact O-N 3.36Å; V179-S183 WeakPolarHBondContact O-CB 3.36Å; V179-S183 PolarHBondContact O-N 3.41Å; V179-L191 HydrophobicContact CG1-CD2 4.15Å; V179-L191 HydrophobicContact CG2-CD2 4.2Å; V179-I204 HydrophobicContact CG1-CD1 4.41Å; V179-I204 HydrophobicContact CG1-CG1 4.39Å; V179-I204 HydrophobicContact CG1-CG2 3.69Å; V179-I204 HydrophobicContact CG2-CD1 4.41Å; V179-F213 HydrophobicContact CG1-CE1 3.97Å; V179-F213 HydrophobicContact CG1-CZ 3.83Å
180	V	98.9	Very high	98.4	Very high	36 Å²	36	35.1 Å²	35.1	22%	0.218	20%	0.201	C	C	.	.	H	α-helix	trans	-65.4	-41.7	-178.8	171.9	0	0	0	0	111.3	V176 D177 A178 S183 Q184 K207 T208	V176-V180 HydrophobicContact CG1-CG2 4.28Å; V176-V180 VanDerWaalsContact O-CG2 3.26Å; V176-V180 WeakPolarHBondContact O-CG2 3.26Å; V176-V180 PolarHBondContact O-N 3.29Å; D177-V180 PolarHBondContact O-N 3.3Å; A178-V180 VanDerWaalsContact C-N 3.34Å; A178-V180 PolarHBondContact O-N 3.21Å; V180-S183 PolarHBondContact O-OG 3.28Å; V180-Q184 PolarHBondContact O-NE2 3.4Å; V180-K207 HydrophobicContact CG2-CB 3.54Å; V180-K207 HydrophobicContact CG2-CD 3.94Å; V180-K207 HydrophobicContact CG2-CG 4.38Å; V180-T208 HydrophobicContact CG2-CG2 4.32Å
181	E	98.9	Very high	98.5	Very high	102 Å²	102	34.6 Å²	34.6	48%	0.477	20%	0.198	S	C	.	.	H	α-helix	trans	-61.4	-51.1	173.7	-175	68.7	175.9	0	0	111.2	I147 D177 A178 S183 Q184	I147-E181 HydrophobicContact CD1-CB 4.11Å; I147-E181 HydrophobicContact CD1-CG 4.14Å; I147-E181 HydrophobicContact CG1-CB 4.4Å; I147-E181 HydrophobicContact CG1-CG 4.45Å; I147-E181 HydrophobicContact CG2-CG 4.19Å; D177-E181 PolarHBondContact O-N 3.4Å; A178-E181 PolarHBondContact O-N 3.09Å; E181-S183 VanDerWaalsContact C-N 3.27Å; E181-S183 PolarHBondContact O-N 3.05Å; E181-Q184 WeakPolarHBondContact O-CB 3.28Å; E181-Q184 PolarHBondContact O-N 3.32Å; E181-Q184 PolarHBondContact OE2-NE2 2.88Å; E181-Q184 VanDerWaalsContact OE2-NE2 3.15Å
182	L	98.9	Very high	98.5	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.016	18%	0.175	C	C	.	.	H	α-helix	trans	-64.3	-29.6	-178.1	-70.9	168.8	0	0	0	113.2	I147 F150 L163 A178 V179 Q184 H185 I188	I147-L182 HydrophobicContact CG1-CG 4.39Å; I147-L182 HydrophobicContact CG2-CD2 4.34Å; F150-L182 HydrophobicContact CB-CD1 3.68Å; F150-L182 HydrophobicContact CB-CD2 3.55Å; F150-L182 HydrophobicContact CB-CG 4.27Å; F150-L182 HydrophobicContact CD2-CD1 3.69Å; F150-L182 HydrophobicContact CG-CD1 3.94Å; L163-L182 HydrophobicContact CD1-CB 4Å; L163-L182 HydrophobicContact CD1-CD1 4.03Å; L163-L182 HydrophobicContact CD2-CD1 4.18Å; A178-L182 VanDerWaalsContact O-CB 3.32Å; A178-L182 WeakPolarHBondContact O-CB 3.22Å; A178-L182 WeakPolarHBondContact O-CD1 3.3Å; A178-L182 WeakPolarHBondContact O-CG 3.48Å; A178-L182 PolarHBondContact O-N 3.24Å; V179-L182 PolarHBondContact O-N 3.36Å; L182-Q184 PolarHBondContact O-N 3Å; L182-Q184 VanDerWaalsContact O-N 3.11Å; L182-H185 WeakPolarHBondContact O-CB 3.36Å; L182-H185 PolarHBondContact O-N 3.42Å; L182-I188 HydrophobicContact CB-CD1 3.93Å; L182-I188 HydrophobicContact CD2-CD1 3.77Å; L182-I188 HydrophobicContact CG-CD1 4.41Å
183	S	98.8	Very high	98.6	Very high	5 Å²	5	31.3 Å²	31.3	4%	0.035	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.1	177.7	74.5	0	0	0	0	114.1	V179 V180 E181 H185 T208 Q211 F213	V179-S183 WeakPolarHBondContact O-CB 3.36Å; V179-S183 PolarHBondContact O-N 3.41Å; V180-S183 PolarHBondContact O-OG 3.28Å; E181-S183 VanDerWaalsContact C-N 3.27Å; E181-S183 PolarHBondContact O-N 3.05Å; S183-H185 VanDerWaalsContact C-N 3.3Å; S183-T208 WeakPolarHBondContact OG-CG2 3.39Å; S183-Q211 WeakPolarHBondContact O-CB 3.37Å; S183-F213 VanDerWaalsContact CB-CD2 3.49Å
184	Q	98.7	Very high	98.7	Very high	104 Å²	104	29 Å²	29	49%	0.486	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-14.3	177.2	-59.7	171.2	57.7	0	0	112.4	V180 E181 L182 Q211	V180-Q184 PolarHBondContact O-NE2 3.4Å; E181-Q184 WeakPolarHBondContact O-CB 3.28Å; E181-Q184 PolarHBondContact O-N 3.32Å; E181-Q184 PolarHBondContact OE2-NE2 2.88Å; E181-Q184 VanDerWaalsContact OE2-NE2 3.15Å; L182-Q184 PolarHBondContact O-N 3Å; L182-Q184 VanDerWaalsContact O-N 3.11Å; Q184-Q211 HydrophobicContact CG-CG 4.46Å
185	H	98.8	Very high	98.6	Very high	34 Å²	34	30.8 Å²	30.8	16%	0.157	18%	0.177	C	C	.	.	S	Bend	trans	-75.2	129.6	-177.3	-169.9	-83.8	0	0	0	111.3	A154 D155 L182 S183 N187 I188	A154-H185 VanDerWaalsContact CB-CE1 3.4Å; A154-H185 WeakPolarHBondContact CB-CE1 3.36Å; A154-H185 WeakPolarHBondContact CB-ND1 3.05Å; D155-H185 IonicContact OD1-NE2 3.31Å; D155-H185 PolarHBondContact OD1-NE2 2.93Å; D155-H185 VanDerWaalsContact OD1-NE2 3.15Å; L182-H185 WeakPolarHBondContact O-CB 3.36Å; L182-H185 PolarHBondContact O-N 3.42Å; S183-H185 VanDerWaalsContact C-N 3.3Å; H185-N187 PolarHBondContact ND1-N 3.5Å; H185-N187 PolarHBondContact O-N 3.36Å; H185-N187 VanDerWaalsContact O-N 3.11Å; H185-I188 HydrophobicContact CB-CB 4.14Å; H185-I188 HydrophobicContact CB-CD1 3.76Å; H185-I188 HydrophobicContact CB-CG1 3.85Å; H185-I188 PolarHBondContact O-N 2.95Å
186	P	97.9	Very high	98.5	Very high	98 Å²	98	30.5 Å²	30.5	64%	0.636	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-23.6	-173.7	26.2	-35.8	0	0	0	113.7	R28	R28-P186 PolarHBondContact NH2-O 3.21Å
187	N	98.4	Very high	98.5	Very high	36 Å²	36	32.9 Å²	32.9	19%	0.193	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	7.1	178.6	-151.3	27.7	0	0	0	114.2	A154 S157 V159 P160 V161 H185	A154-N187 HydrophobicContact CB-CB 4.39Å; A154-N187 PolarHBondContact O-ND2 2.93Å; S157-N187 PolarHBondContact O-ND2 2.77Å; V159-N187 PolarHBondContact O-ND2 2.87Å; P160-N187 WeakPolarHBondContact CA-OD1 3.32Å; V161-N187 PolarHBondContact N-O 3.14Å; H185-N187 PolarHBondContact ND1-N 3.5Å; H185-N187 PolarHBondContact O-N 3.36Å; H185-N187 VanDerWaalsContact O-N 3.11Å
188	I	98.8	Very high	98.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	114.5	173.2	-61.5	179.3	0	0	0	107.9	A154 V161 L163 L182 H185 F213	A154-I188 HydrophobicContact CB-CD1 3.93Å; A154-I188 HydrophobicContact CB-CG1 3.6Å; V161-I188 HydrophobicContact CB-CG1 4.3Å; V161-I188 CarbonylContact O-C 3.59Å; V161-I188 WeakPolarHBondContact O-CA 3.36Å; L163-I188 HydrophobicContact CD1-CG2 4.16Å; L163-I188 HydrophobicContact CD2-CD1 4.38Å; L163-I188 HydrophobicContact CD2-CG2 4.04Å; L163-I188 HydrophobicContact CG-CG2 3.88Å; L182-I188 HydrophobicContact CB-CD1 3.93Å; L182-I188 HydrophobicContact CD2-CD1 3.77Å; L182-I188 HydrophobicContact CG-CD1 4.41Å; H185-I188 HydrophobicContact CB-CB 4.14Å; H185-I188 HydrophobicContact CB-CD1 3.76Å; H185-I188 HydrophobicContact CB-CG1 3.85Å; H185-I188 PolarHBondContact O-N 2.95Å; I188-F213 HydrophobicContact CG2-CD2 4.3Å; I188-F213 HydrophobicContact CG2-CE2 3.77Å
189	L	98.1	Very high	98.5	Very high	4 Å²	4	36 Å²	36	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-16.3	-173.2	-62.5	-173.6	0	0	0	114.4	R28 L29 L31 P160 V161 F213 Q214	R28-L189 HydrophobicContact CG-CD2 3.95Å; L29-L189 HydrophobicContact CB-CD1 4.04Å; L29-L189 HydrophobicContact CD2-CD1 3.88Å; L31-L189 HydrophobicContact CD1-CB 3.83Å; P160-L189 HydrophobicContact CB-CD1 3.27Å; P160-L189 HydrophobicContact CB-CD2 4.21Å; P160-L189 HydrophobicContact CB-CG 3.43Å; P160-L189 VanDerWaalsContact CB-CG 3.43Å; P160-L189 HydrophobicContact CG-CD1 3.7Å; P160-L189 HydrophobicContact CG-CG 4.26Å; V161-L189 PolarHBondContact O-N 3.13Å; L189-F213 CarbonylContact O-C 3.56Å; L189-F213 WeakPolarHBondContact O-CA 3.49Å; L189-Q214 PolarHBondContact O-N 3Å
190	G	98.7	Very high	98.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.5	-172.7	-171.6	0	0	0	0	0	115.9	L163 F213 Q214	L163-G190 WeakPolarHBondContact CB-O 3.49Å; L163-G190 WeakPolarHBondContact CG-O 3.38Å; L163-G190 PolarHBondContact N-O 3.34Å; G190-F213 VanDerWaalsContact CA-CE2 3.45Å; G190-Q214 CarbonylContact C-O 3.54Å; G190-Q214 WeakPolarHBondContact CA-O 3.48Å
191	L	98.9	Very high	98.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	130.8	179.5	169.8	67.2	0	0	0	109.8	L163 V179 D193 I204 F213 Q214 V215 L216	L163-L191 HydrophobicContact CB-CB 4.34Å; L163-L191 HydrophobicContact CB-CD1 3.76Å; L163-L191 CarbonylContact O-C 3.58Å; L163-L191 WeakPolarHBondContact O-CA 3.25Å; V179-L191 HydrophobicContact CG1-CD2 4.15Å; V179-L191 HydrophobicContact CG2-CD2 4.2Å; L191-D193 HydrophobicContact CD2-CB 4.06Å; L191-D193 HydrophobicContact CG-CB 4.14Å; L191-I204 HydrophobicContact CD2-CD1 3.69Å; L191-I204 HydrophobicContact CD2-CG2 4.37Å; L191-F213 HydrophobicContact CB-CE1 3.84Å; L191-F213 HydrophobicContact CB-CZ 3.69Å; L191-Q214 PolarHBondContact N-O 3.21Å; L191-V215 CarbonylContact O-C 3.56Å; L191-V215 WeakPolarHBondContact O-CA 3.41Å; L191-L216 PolarHBondContact O-N 3.07Å
192	K	98.9	Very high	98.5	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.009	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	114.7	155.9	178	-171.5	169.1	-171.5	0	108.6	L130 L163 Y164 S165 L216 V235	L130-K192 HydrophobicContact CD1-CB 3.96Å; L130-K192 HydrophobicContact CD1-CD 4.26Å; L130-K192 HydrophobicContact CD2-CD 3.97Å; L163-K192 PolarHBondContact O-N 2.75Å; Y164-K192 HydrophobicContact CD2-CB 4.02Å; Y164-K192 HydrophobicContact CD2-CD 3.59Å; Y164-K192 HydrophobicContact CD2-CG 3.88Å; Y164-K192 HydrophobicContact CE2-CD 3.56Å; Y164-K192 VanDerWaalsContact CE2-CE 3.41Å; Y164-K192 HydrophobicContact CE2-CG 4.06Å; Y164-K192 HydrophobicContact CG-CD 4.3Å; Y164-K192 PolarHBondContact OH-NZ 2.91Å; S165-K192 PolarHBondContact N-O 3.39Å; K192-L216 WeakPolarHBondContact CA-O 3.2Å; K192-V235 HydrophobicContact CD-CB 3.74Å; K192-V235 HydrophobicContact CD-CG1 3.9Å; K192-V235 HydrophobicContact CD-CG2 3.98Å; K192-V235 HydrophobicContact CG-CB 4.2Å; K192-V235 HydrophobicContact CG-CG2 4.26Å
193	D	98.8	Very high	98.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	113.1	176.7	-162	-54.9	0	0	0	110.6	L191 G195 R200 I201 L216 G218	L191-D193 HydrophobicContact CD2-CB 4.06Å; L191-D193 HydrophobicContact CG-CB 4.14Å; D193-G195 PolarHBondContact OD1-N 2.84Å; D193-R200 IonicContact OD2-CZ 3.29Å; D193-R200 IonicContact OD2-NE 2.6Å; D193-R200 PolarHBondContact OD2-NE 3.27Å; D193-R200 IonicContact OD2-NH2 2.72Å; D193-R200 PolarHBondContact OD2-NH2 3.01Å; D193-I201 HydrophobicContact CB-CG1 4.3Å; D193-L216 PolarHBondContact N-O 2.65Å; D193-G218 WeakPolarHBondContact O-CA 3.29Å; D193-G218 PolarHBondContact O-N 3.17Å
194	S	98.6	Very high	98.5	Very high	25 Å²	25	34.7 Å²	34.7	18%	0.175	21%	0.209	C	C	.	.			trans	-98.1	5.8	179.4	-74.5	0	0	0	0	113.5	S165 G218	S165-S194 WeakPolarHBondContact O-CB 3.3Å; S165-S194 PolarHBondContact O-N 3.18Å; S194-G218 WeakPolarHBondContact OG-CA 3.29Å; S194-G218 PolarHBondContact OG-O 3.32Å
195	G	97.4	Very high	98.5	Very high	37 Å²	37	31.3 Å²	31.3	38%	0.381	20%	0.196	S	C	.	.	S	Bend	trans	-73.9	-26.5	-177.2	0	0	0	0	0	114.2	D193 D197	D193-G195 PolarHBondContact OD1-N 2.84Å; G195-D197 VanDerWaalsContact C-N 3.27Å; G195-D197 PolarHBondContact O-N 3.02Å
196	G	96.4	Very high	98.5	Very high	28 Å²	28	35.1 Å²	35.1	29%	0.289	21%	0.213	S	C	.	.			trans	77.9	4.7	178.3	0	0	0	0	0	115.2	I198	G196-I198 PolarHBondContact O-N 3Å
197	D	98.6	Very high	98.6	Very high	81 Å²	81	35.9 Å²	35.9	43%	0.433	21%	0.207	S	C	.	.			trans	-78.8	103.7	171.9	-179.1	-15.8	0	0	0	110.3	G195 T199 R200 I201	G195-D197 VanDerWaalsContact C-N 3.27Å; G195-D197 PolarHBondContact O-N 3.02Å; D197-T199 VanDerWaalsContact C-N 3.33Å; D197-T199 PolarHBondContact O-N 3.01Å; D197-T199 WeakPolarHBondContact OD1-CA 3.38Å; D197-T199 WeakPolarHBondContact OD1-CB 3.18Å; D197-T199 PolarHBondContact OD1-N 3.43Å; D197-R200 HydrophobicContact CB-CB 3.83Å; D197-R200 VanDerWaalsContact CG-CB 3.47Å; D197-R200 PolarHBondContact O-N 2.98Å; D197-R200 PolarHBondContact OD1-N 3.02Å; D197-I201 WeakPolarHBondContact O-CG1 3.11Å; D197-I201 PolarHBondContact O-N 3.27Å
198	I	98.8	Very high	98.6	Very high	45 Å²	45	34.3 Å²	34.3	23%	0.231	20%	0.198	C	C	.	.	H	α-helix	trans	-67.8	-32.2	-179.3	-58.8	-54.4	0	0	0	112.3	G196 I201 G202 F222 A225 A226 V229	G196-I198 PolarHBondContact O-N 3Å; I198-I201 HydrophobicContact CD1-CD1 4.31Å; I198-I201 PolarHBondContact O-N 2.96Å; I198-G202 PolarHBondContact O-N 2.98Å; I198-F222 HydrophobicContact CD1-CB 4.17Å; I198-F222 HydrophobicContact CD1-CD2 4.09Å; I198-F222 HydrophobicContact CD1-CG 4.49Å; I198-A225 HydrophobicContact CD1-CB 3.79Å; I198-A225 HydrophobicContact CG1-CB 3.88Å; I198-A225 HydrophobicContact CG2-CB 4.45Å; I198-A226 HydrophobicContact CD1-CB 4.47Å; I198-V229 HydrophobicContact CG2-CB 4.45Å; I198-V229 HydrophobicContact CG2-CG1 3.63Å; I198-V229 HydrophobicContact CG2-CG2 3.96Å
199	T	98.8	Very high	98.5	Very high	117 Å²	117	41.7 Å²	41.7	72%	0.718	23%	0.23	S	C	*	.	H	α-helix	trans	-65.7	-43.9	176.2	-60.4	0	0	0	0	110.3	D197 L203	D197-T199 VanDerWaalsContact C-N 3.33Å; D197-T199 PolarHBondContact O-N 3.01Å; D197-T199 WeakPolarHBondContact OD1-CA 3.38Å; D197-T199 WeakPolarHBondContact OD1-CB 3.18Å; D197-T199 PolarHBondContact OD1-N 3.43Å; T199-L203 WeakPolarHBondContact O-CB 3.48Å; T199-L203 PolarHBondContact O-N 3.17Å
200	R	98.7	Very high	98.5	Very high	26 Å²	26	45.6 Å²	45.6	10%	0.098	26%	0.263	C	S	.	.	H	α-helix	trans	-61.8	-48.2	174	176	-173.5	157.8	82	9.6	112.1	L174 V176 D193 D197 G202 L203 I204	L174-R200 PolarHBondContact O-NH1 3.32Å; L174-R200 PolarHBondContact O-NH2 3.24Å; V176-R200 HydrophobicContact CG2-CG 4.18Å; D193-R200 IonicContact OD2-CZ 3.29Å; D193-R200 IonicContact OD2-NE 2.6Å; D193-R200 PolarHBondContact OD2-NE 3.27Å; D193-R200 IonicContact OD2-NH2 2.72Å; D193-R200 PolarHBondContact OD2-NH2 3.01Å; D197-R200 HydrophobicContact CB-CB 3.83Å; D197-R200 VanDerWaalsContact CG-CB 3.47Å; D197-R200 PolarHBondContact O-N 2.98Å; D197-R200 PolarHBondContact OD1-N 3.02Å; R200-G202 PolarHBondContact O-N 3.32Å; R200-L203 WeakPolarHBondContact O-CB 3.36Å; R200-L203 PolarHBondContact O-N 3.21Å; R200-I204 HydrophobicContact CG-CD1 4.07Å; R200-I204 WeakPolarHBondContact O-CG1 3.46Å; R200-I204 PolarHBondContact O-N 2.61Å
201	I	98.9	Very high	98.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-57.8	-49.4	178	-70.9	171.6	0	0	0	110.3	D193 D197 I198 L203 I204 V205 V215 F222 V229 A231	D193-I201 HydrophobicContact CB-CG1 4.3Å; D197-I201 WeakPolarHBondContact O-CG1 3.11Å; D197-I201 PolarHBondContact O-N 3.27Å; I198-I201 HydrophobicContact CD1-CD1 4.31Å; I198-I201 PolarHBondContact O-N 2.96Å; I201-L203 VanDerWaalsContact C-N 3.3Å; I201-L203 PolarHBondContact O-N 2.79Å; I201-I204 PolarHBondContact O-N 2.88Å; I201-V205 WeakPolarHBondContact O-CG2 3.37Å; I201-V205 PolarHBondContact O-N 3.19Å; I201-V215 HydrophobicContact CG2-CG1 4.06Å; I201-F222 HydrophobicContact CD1-CD2 4.38Å; I201-F222 HydrophobicContact CD1-CE2 3.97Å; I201-V229 HydrophobicContact CB-CG2 4.26Å; I201-V229 HydrophobicContact CG2-CG2 3.69Å; I201-A231 HydrophobicContact CG2-CB 4.43Å
202	G	98.9	Very high	98.4	Very high	18 Å²	18	53.3 Å²	53.3	19%	0.186	30%	0.302	C	S	.	.	H	α-helix	trans	-61.8	-36.7	178.2	0	0	0	0	0	113.1	I198 R200 H206	I198-G202 PolarHBondContact O-N 2.98Å; R200-G202 PolarHBondContact O-N 3.32Å; G202-H206 VanDerWaalsContact O-CB 3.29Å; G202-H206 WeakPolarHBondContact O-CB 3.18Å; G202-H206 PolarHBondContact O-N 3.11Å
203	L	98.9	Very high	98.4	Very high	73 Å²	73	54.1 Å²	54.1	38%	0.382	31%	0.305	S	S	.	.	H	α-helix	trans	-65.3	-42.2	174.9	-177.7	61.8	0	0	0	112.2	V176 T199 R200 I201 H206 K207	V176-L203 HydrophobicContact CG1-CD2 4.17Å; V176-L203 HydrophobicContact CG1-CG 4.33Å; T199-L203 WeakPolarHBondContact O-CB 3.48Å; T199-L203 PolarHBondContact O-N 3.17Å; R200-L203 WeakPolarHBondContact O-CB 3.36Å; R200-L203 PolarHBondContact O-N 3.21Å; I201-L203 VanDerWaalsContact C-N 3.3Å; I201-L203 PolarHBondContact O-N 2.79Å; L203-H206 PolarHBondContact O-N 2.92Å; L203-K207 HydrophobicContact CD1-CD 3.99Å; L203-K207 HydrophobicContact CD1-CG 4.18Å; L203-K207 HydrophobicContact CG-CD 4.15Å; L203-K207 WeakPolarHBondContact O-CB 3.48Å; L203-K207 WeakPolarHBondContact O-CG 3.31Å; L203-K207 PolarHBondContact O-N 3.23Å
204	I	98.9	Very high	98.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-61.6	-53.8	176	-70.2	168.1	0	0	0	109.3	V176 V179 L191 R200 I201 H206 K207 T208 F213 V215	V176-I204 HydrophobicContact CG1-CG1 4.18Å; V176-I204 HydrophobicContact CG2-CG1 4.27Å; V179-I204 HydrophobicContact CG1-CD1 4.41Å; V179-I204 HydrophobicContact CG1-CG1 4.39Å; V179-I204 HydrophobicContact CG1-CG2 3.69Å; V179-I204 HydrophobicContact CG2-CD1 4.41Å; L191-I204 HydrophobicContact CD2-CD1 3.69Å; L191-I204 HydrophobicContact CD2-CG2 4.37Å; R200-I204 HydrophobicContact CG-CD1 4.07Å; R200-I204 WeakPolarHBondContact O-CG1 3.46Å; R200-I204 PolarHBondContact O-N 2.61Å; I201-I204 PolarHBondContact O-N 2.88Å; I204-H206 VanDerWaalsContact C-N 3.26Å; I204-H206 PolarHBondContact O-N 3.12Å; I204-K207 PolarHBondContact O-N 2.89Å; I204-K207 VanDerWaalsContact O-N 3.08Å; I204-T208 HydrophobicContact CG2-CG2 4.25Å; I204-T208 WeakPolarHBondContact O-CG2 3.26Å; I204-T208 PolarHBondContact O-N 2.88Å; I204-T208 PolarHBondContact O-OG1 3.01Å; I204-F213 HydrophobicContact CG2-CE1 4.28Å; I204-V215 HydrophobicContact CG2-CG2 3.83Å
205	V	98.9	Very high	98.4	Very high	33 Å²	33	54.5 Å²	54.5	20%	0.2	31%	0.305	C	S	.	.	H	α-helix	trans	-52.9	-46.1	177.2	172.2	0	0	0	0	111.1	I201 K207 K209 V215	I201-V205 WeakPolarHBondContact O-CG2 3.37Å; I201-V205 PolarHBondContact O-N 3.19Å; V205-K207 PolarHBondContact O-N 3.11Å; V205-K209 PolarHBondContact O-N 3.33Å; V205-K209 VanDerWaalsContact O-N 3.12Å; V205-V215 HydrophobicContact CG2-CB 4.04Å; V205-V215 HydrophobicContact CG2-CG2 3.78Å
206	H	98.9	Very high	98.4	Very high	115 Å²	115	52.8 Å²	52.8	53%	0.532	29%	0.287	S	S	.	.	H	α-helix	trans	-62	-44.3	178.8	179.1	84.6	0	0	0	113	G202 L203 I204 K209	G202-H206 VanDerWaalsContact O-CB 3.29Å; G202-H206 WeakPolarHBondContact O-CB 3.18Å; G202-H206 PolarHBondContact O-N 3.11Å; L203-H206 PolarHBondContact O-N 2.92Å; I204-H206 VanDerWaalsContact C-N 3.26Å; I204-H206 PolarHBondContact O-N 3.12Å; H206-K209 WeakPolarHBondContact O-CD 3.49Å; H206-K209 VanDerWaalsContact O-CG 3.28Å; H206-K209 WeakPolarHBondContact O-CG 3.46Å
207	K	98.8	Very high	98.6	Very high	114 Å²	114	51.4 Å²	51.4	50%	0.496	27%	0.273	S	S	.	.	H	α-helix	trans	-76.9	-26.5	-176.7	-74.8	-177.9	170.2	-80.4	0	113	V176 V180 L203 I204 V205	V176-K207 HydrophobicContact CG1-CD 4.21Å; V180-K207 HydrophobicContact CG2-CB 3.54Å; V180-K207 HydrophobicContact CG2-CD 3.94Å; V180-K207 HydrophobicContact CG2-CG 4.38Å; L203-K207 HydrophobicContact CD1-CD 3.99Å; L203-K207 HydrophobicContact CD1-CG 4.18Å; L203-K207 HydrophobicContact CG-CD 4.15Å; L203-K207 WeakPolarHBondContact O-CB 3.48Å; L203-K207 WeakPolarHBondContact O-CG 3.31Å; L203-K207 PolarHBondContact O-N 3.23Å; I204-K207 PolarHBondContact O-N 2.89Å; I204-K207 VanDerWaalsContact O-N 3.08Å; V205-K207 PolarHBondContact O-N 3.11Å
208	T	98.8	Very high	98.6	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.012	26%	0.258	C	S	.	.	H	α-helix	trans	-96.5	2.3	178.8	66.4	0	0	0	0	113.6	V180 S183 I204 A210 Q211 F213	V180-T208 HydrophobicContact CG2-CG2 4.32Å; S183-T208 WeakPolarHBondContact OG-CG2 3.39Å; I204-T208 HydrophobicContact CG2-CG2 4.25Å; I204-T208 WeakPolarHBondContact O-CG2 3.26Å; I204-T208 PolarHBondContact O-N 2.88Å; I204-T208 PolarHBondContact O-OG1 3.01Å; T208-A210 PolarHBondContact O-N 3.32Å; T208-Q211 WeakPolarHBondContact O-CA 3.23Å; T208-Q211 WeakPolarHBondContact O-CB 3.18Å; T208-Q211 PolarHBondContact O-N 3.49Å; T208-F213 HydrophobicContact CG2-CD1 4.02Å; T208-F213 HydrophobicContact CG2-CE1 4.37Å
209	K	97.9	Very high	98.6	Very high	155 Å²	155	46.7 Å²	46.7	67%	0.674	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-20.6	-176.1	73.2	-176.7	175.9	-177.9	0	116.5	V205 H206	V205-K209 PolarHBondContact O-N 3.33Å; V205-K209 VanDerWaalsContact O-N 3.12Å; H206-K209 WeakPolarHBondContact O-CD 3.49Å; H206-K209 VanDerWaalsContact O-CG 3.28Å; H206-K209 WeakPolarHBondContact O-CG 3.46Å
210	A	97.7	Very high	98.6	Very high	86 Å²	86	41.1 Å²	41.1	71%	0.711	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-7.5	177.5	0	0	0	0	0	112.7	T208	T208-A210 PolarHBondContact O-N 3.32Å
211	Q	97.9	Very high	98.6	Very high	79 Å²	79	41 Å²	41	37%	0.369	22%	0.224	S	C	.	.	S	Bend	trans	-103.4	156.5	177	-49.2	-51.6	-33	0	0	109.6	S183 Q184 T208 F213	S183-Q211 WeakPolarHBondContact O-CB 3.37Å; Q184-Q211 HydrophobicContact CG-CG 4.46Å; T208-Q211 WeakPolarHBondContact O-CA 3.23Å; T208-Q211 WeakPolarHBondContact O-CB 3.18Å; T208-Q211 PolarHBondContact O-N 3.49Å; Q211-F213 HydrophobicContact CB-CB 4.12Å; Q211-F213 PolarHBondContact O-N 3.23Å; Q211-F213 VanDerWaalsContact O-N 3.07Å
212	D	96.4	Very high	98.5	Very high	83 Å²	83	42.4 Å²	42.4	44%	0.444	23%	0.231	S	C	.	.	S	Bend	trans	-84.7	76.6	170.1	-176.2	22.4	0	0	0	108.6	R28	R28-D212 WeakPolarHBondContact CD-OD2 3.36Å; R28-D212 IonicContact CZ-OD2 3Å; R28-D212 VanDerWaalsContact CZ-OD2 3.29Å; R28-D212 IonicContact NE-OD2 3.75Å; R28-D212 PolarHBondContact NE-OD2 2.95Å; R28-D212 VanDerWaalsContact NH1-CB 3.27Å; R28-D212 IonicContact NH1-OD2 3.81Å; R28-D212 PolarHBondContact NH1-OD2 3Å
213	F	98.7	Very high	98.5	Very high	19 Å²	19	41.6 Å²	41.6	8%	0.083	22%	0.222	C	C	.	.			trans	-138.2	120.7	-171.2	-171.9	-90.5	0	0	0	110.5	L163 V179 S183 I188 L189 G190 L191 I204 T208 Q211 V215	L163-F213 HydrophobicContact CD1-CE2 4.11Å; L163-F213 HydrophobicContact CD1-CZ 4.01Å; V179-F213 HydrophobicContact CG1-CE1 3.97Å; V179-F213 HydrophobicContact CG1-CZ 3.83Å; S183-F213 VanDerWaalsContact CB-CD2 3.49Å; I188-F213 HydrophobicContact CG2-CD2 4.3Å; I188-F213 HydrophobicContact CG2-CE2 3.77Å; L189-F213 CarbonylContact O-C 3.56Å; L189-F213 WeakPolarHBondContact O-CA 3.49Å; G190-F213 VanDerWaalsContact CA-CE2 3.45Å; L191-F213 HydrophobicContact CB-CE1 3.84Å; L191-F213 HydrophobicContact CB-CZ 3.69Å; I204-F213 HydrophobicContact CG2-CE1 4.28Å; T208-F213 HydrophobicContact CG2-CD1 4.02Å; T208-F213 HydrophobicContact CG2-CE1 4.37Å; Q211-F213 HydrophobicContact CB-CB 4.12Å; Q211-F213 PolarHBondContact O-N 3.23Å; Q211-F213 VanDerWaalsContact O-N 3.07Å; F213-V215 HydrophobicContact CD1-CG2 4.38Å; F213-V215 HydrophobicContact CE1-CG2 4.21Å
214	Q	98.8	Very high	98.5	Very high	30 Å²	30	39.5 Å²	39.5	14%	0.14	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	135.7	-173.2	-67.1	-179.6	-70.4	0	0	111.6	D30 L31 L189 G190 L191 V232	D30-Q214 PolarHBondContact OD1-NE2 3.42Å; L31-Q214 HydrophobicContact CB-CB 4.3Å; L31-Q214 VanDerWaalsContact CB-OE1 3.29Å; L31-Q214 HydrophobicContact CD1-CB 4.29Å; L189-Q214 PolarHBondContact O-N 3Å; G190-Q214 CarbonylContact C-O 3.54Å; G190-Q214 WeakPolarHBondContact CA-O 3.48Å; L191-Q214 PolarHBondContact N-O 3.21Å; Q214-V232 HydrophobicContact CB-CG2 3.73Å; Q214-V232 HydrophobicContact CG-CG2 4.08Å
215	V	98.9	Very high	98.5	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.024	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128	176.8	-175.3	0	0	0	0	109.7	L191 I201 I204 V205 F213 A231 V232	L191-V215 CarbonylContact O-C 3.56Å; L191-V215 WeakPolarHBondContact O-CA 3.41Å; I201-V215 HydrophobicContact CG2-CG1 4.06Å; I204-V215 HydrophobicContact CG2-CG2 3.83Å; V205-V215 HydrophobicContact CG2-CB 4.04Å; V205-V215 HydrophobicContact CG2-CG2 3.78Å; F213-V215 HydrophobicContact CD1-CG2 4.38Å; F213-V215 HydrophobicContact CE1-CG2 4.21Å; V215-A231 CarbonylContact O-C 3.54Å; V215-A231 WeakPolarHBondContact O-CA 3.24Å; V215-A231 WeakPolarHBondContact O-CB 3.29Å; V215-V232 PolarHBondContact O-N 3.43Å
216	L	98.9	Very high	98.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	132.3	175.4	-57.9	177.5	0	0	0	109.6	L31 Y35 L191 K192 D193 V232 G233 V235	L31-L216 HydrophobicContact CB-CD1 4.4Å; L31-L216 HydrophobicContact CB-CD2 4.48Å; Y35-L216 HydrophobicContact CE2-CD1 4.24Å; L191-L216 PolarHBondContact O-N 3.07Å; K192-L216 WeakPolarHBondContact CA-O 3.2Å; D193-L216 PolarHBondContact N-O 2.65Å; L216-V232 HydrophobicContact CD2-CG2 4.07Å; L216-G233 WeakPolarHBondContact CA-O 3.41Å; L216-V235 HydrophobicContact CB-CG2 4.46Å; L216-V235 HydrophobicContact CD1-CG2 3.97Å
217	A	98.9	Very high	98.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	137.9	170.3	0	0	0	0	0	110.2	F222 L223 A226 G233 G234 V235	A217-F222 HydrophobicContact CB-CD2 4.14Å; A217-F222 HydrophobicContact CB-CE2 3.65Å; A217-F222 HydrophobicContact CB-CZ 4.49Å; A217-L223 HydrophobicContact CB-CD1 3.81Å; A217-A226 HydrophobicContact CB-CB 3.79Å; A217-G233 PolarHBondContact N-O 3.01Å; A217-G234 CarbonylContact O-C 3.42Å; A217-G234 VanDerWaalsContact O-CA 3.29Å; A217-G234 WeakPolarHBondContact O-CA 3.1Å; A217-V235 PolarHBondContact O-N 3.11Å
218	G	98.7	Very high	98.5	Very high	11 Å²	11	33.5 Å²	33.5	11%	0.113	20%	0.195	C	C	.	.	S	Bend	trans	-91.3	5.3	-178.1	0	0	0	0	0	115.5	D193 S194 V235	D193-G218 WeakPolarHBondContact O-CA 3.29Å; D193-G218 PolarHBondContact O-N 3.17Å; S194-G218 WeakPolarHBondContact OG-CA 3.29Å; S194-G218 PolarHBondContact OG-O 3.32Å; G218-V235 CarbonylContact C-O 3.39Å; G218-V235 VanDerWaalsContact C-O 3.22Å
219	S	98.7	Very high	98.5	Very high	15 Å²	15	35.6 Å²	35.6	11%	0.105	21%	0.208	C	C	.	.			trans	-160.3	154.5	-179.1	-169.7	0	0	0	0	111.6	G221 F222 N272	S219-G221 VanDerWaalsContact C-N 3.34Å; S219-F222 VanDerWaalsContact CB-CE1 3.41Å; S219-N272 VanDerWaalsContact OG-CG 3.3Å; S219-N272 PolarHBondContact OG-ND2 3.28Å; S219-N272 PolarHBondContact OG-OD1 3.07Å
220	A	98.7	Very high	98.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-73	-25.8	178.8	0	0	0	0	0	113.1	F222 L223 C236 L238 L246 Q265 N272	A220-F222 PolarHBondContact O-N 3.24Å; A220-F222 VanDerWaalsContact O-N 3.11Å; A220-L223 PolarHBondContact O-N 2.99Å; A220-C236 HydrophobicContact CB-CB 4.18Å; A220-L238 HydrophobicContact CB-CB 4.08Å; A220-L238 HydrophobicContact CB-CD2 4.09Å; A220-L246 HydrophobicContact CB-CD1 3.68Å; A220-L246 HydrophobicContact CB-CD2 4.47Å; A220-L246 HydrophobicContact CB-CG 4.35Å; A220-Q265 PolarHBondContact O-NE2 3.1Å; A220-Q265 PolarHBondContact O-OE1 2.81Å; A220-N272 HydrophobicContact CB-CB 4.11Å; A220-N272 WeakPolarHBondContact CB-OD1 3.37Å; A220-N272 PolarHBondContact N-OD1 2.96Å; A220-N272 VanDerWaalsContact N-OD1 3.12Å
221	G	98.6	Very high	98.6	Very high	23 Å²	23	26 Å²	26	24%	0.237	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-66.7	-13.6	-173	0	0	0	0	0	115.2	S219 N272	S219-G221 VanDerWaalsContact C-N 3.34Å; G221-N272 WeakPolarHBondContact CA-ND2 3.4Å; G221-N272 VanDerWaalsContact N-CG 3.32Å; G221-N272 PolarHBondContact N-ND2 2.85Å; G221-N272 VanDerWaalsContact N-ND2 3.17Å
222	F	98.8	Very high	98.7	Very high	31 Å²	31	24.2 Å²	24.2	14%	0.136	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-132.9	15.5	179	62	-101	0	0	0	112.8	I198 I201 A217 S219 A220 M224 A225 A226	I198-F222 HydrophobicContact CD1-CB 4.17Å; I198-F222 HydrophobicContact CD1-CD2 4.09Å; I198-F222 HydrophobicContact CD1-CG 4.49Å; I201-F222 HydrophobicContact CD1-CD2 4.38Å; I201-F222 HydrophobicContact CD1-CE2 3.97Å; A217-F222 HydrophobicContact CB-CD2 4.14Å; A217-F222 HydrophobicContact CB-CE2 3.65Å; A217-F222 HydrophobicContact CB-CZ 4.49Å; S219-F222 VanDerWaalsContact CB-CE1 3.41Å; A220-F222 PolarHBondContact O-N 3.24Å; A220-F222 VanDerWaalsContact O-N 3.11Å; F222-M224 PolarHBondContact O-N 2.94Å; F222-A225 PolarHBondContact O-N 3.28Å; F222-A226 HydrophobicContact CD2-CB 4.26Å; F222-A226 WeakPolarHBondContact O-CB 3.4Å; F222-A226 PolarHBondContact O-N 3.32Å
223	L	98.9	Very high	98.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.7	-46.6	-171.4	-179.6	61.8	0	0	0	112.5	I34 A217 A220 A225 A226 Y227 L246 L249	I34-L223 HydrophobicContact CD1-CD1 4.42Å; I34-L223 HydrophobicContact CD1-CD2 3.8Å; A217-L223 HydrophobicContact CB-CD1 3.81Å; A220-L223 PolarHBondContact O-N 2.99Å; L223-A225 VanDerWaalsContact C-N 3.35Å; L223-A225 PolarHBondContact O-N 3.43Å; L223-A226 WeakPolarHBondContact O-CB 3.17Å; L223-A226 PolarHBondContact O-N 3.23Å; L223-Y227 HydrophobicContact CD1-CD2 3.97Å; L223-Y227 HydrophobicContact CD1-CE2 3.53Å; L223-Y227 HydrophobicContact CD2-CE2 4.19Å; L223-Y227 HydrophobicContact CG-CD2 3.95Å; L223-Y227 HydrophobicContact CG-CE2 3.66Å; L223-Y227 VanDerWaalsContact O-CD2 3.28Å; L223-Y227 WeakPolarHBondContact O-CD2 3.47Å; L223-Y227 PolarHBondContact O-N 3.37Å; L223-L246 HydrophobicContact CD2-CD1 3.71Å; L223-L249 HydrophobicContact CB-CD2 4.26Å; L223-L249 HydrophobicContact CD2-CD2 4.06Å; L223-L249 HydrophobicContact CD2-CG 4.38Å; L223-L249 HydrophobicContact CG-CD2 4.43Å
224	M	98.8	Very high	98.8	Very high	29 Å²	29	19.4 Å²	19.4	14%	0.143	13%	0.131	C	C	.	.	H	α-helix	trans	-57.8	-48	177.4	-178.7	-164.6	175	0	0	111.3	F222 A226 Y227 C228 L249 W258 A261 K262 Q265	F222-M224 PolarHBondContact O-N 2.94Å; M224-A226 VanDerWaalsContact C-N 3.3Å; M224-A226 PolarHBondContact O-N 2.98Å; M224-Y227 PolarHBondContact O-N 2.8Å; M224-C228 PolarHBondContact O-N 3.02Å; M224-C228 PolarHBondContact O-SG 3.24Å; M224-L249 HydrophobicContact CB-CD1 4.39Å; M224-W258 HydrophobicContact CE-CB 4.33Å; M224-W258 HydrophobicContact CE-CE3 3.85Å; M224-W258 VanDerWaalsContact CE-O 3.29Å; M224-W258 WeakPolarHBondContact CE-O 3.4Å; M224-A261 HydrophobicContact CE-CB 4.16Å; M224-A261 HydrophobicContact CG-CB 4.29Å; M224-A261 HydrophobicContact SD-CB 4.25Å; M224-K262 HydrophobicContact CE-CB 3.94Å; M224-K262 VanDerWaalsContact SD-CA 3.58Å; M224-K262 HydrophobicContact SD-CB 4.1Å; M224-Q265 HydrophobicContact CB-CB 4.03Å; M224-Q265 HydrophobicContact CB-CG 3.87Å; M224-Q265 VanDerWaalsContact CB-OE1 3.32Å; M224-Q265 HydrophobicContact SD-CB 4.11Å; M224-Q265 HydrophobicContact SD-CG 4.39Å
225	A	98.8	Very high	98.8	Very high	38 Å²	38	18 Å²	18	31%	0.314	13%	0.125	S	C	.	.	H	α-helix	trans	-65.2	-35.1	180	0	0	0	0	0	112	I198 F222 L223 C228 V229	I198-A225 HydrophobicContact CD1-CB 3.79Å; I198-A225 HydrophobicContact CG1-CB 3.88Å; I198-A225 HydrophobicContact CG2-CB 4.45Å; F222-A225 PolarHBondContact O-N 3.28Å; L223-A225 VanDerWaalsContact C-N 3.35Å; L223-A225 PolarHBondContact O-N 3.43Å; A225-C228 WeakPolarHBondContact O-CB 3.47Å; A225-C228 PolarHBondContact O-N 3.4Å; A225-V229 PolarHBondContact O-N 3.31Å
226	A	98.9	Very high	98.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63.8	-42.7	173.8	0	0	0	0	0	111.9	I198 A217 F222 L223 M224 C228 V229 G230 A231	I198-A226 HydrophobicContact CD1-CB 4.47Å; A217-A226 HydrophobicContact CB-CB 3.79Å; F222-A226 HydrophobicContact CD2-CB 4.26Å; F222-A226 WeakPolarHBondContact O-CB 3.4Å; F222-A226 PolarHBondContact O-N 3.32Å; L223-A226 WeakPolarHBondContact O-CB 3.17Å; L223-A226 PolarHBondContact O-N 3.23Å; M224-A226 VanDerWaalsContact C-N 3.3Å; M224-A226 PolarHBondContact O-N 2.98Å; A226-C228 VanDerWaalsContact C-N 3.32Å; A226-C228 PolarHBondContact O-N 3.46Å; A226-V229 VanDerWaalsContact O-CG2 3.28Å; A226-V229 WeakPolarHBondContact O-CG2 3.38Å; A226-V229 PolarHBondContact O-N 3.05Å; A226-G230 PolarHBondContact O-N 3.12Å; A226-A231 HydrophobicContact CB-CB 3.78Å; A226-A231 VanDerWaalsContact O-CB 3.26Å; A226-A231 WeakPolarHBondContact O-CB 3.39Å; A226-A231 PolarHBondContact O-N 2.88Å
227	Y	98.9	Very high	98.8	Very high	23 Å²	23	18 Å²	18	9%	0.09	13%	0.125	C	C	.	.	H	α-helix	trans	-59.8	-41	172.6	-82.2	-69.1	0	0	0	112	L223 M224 V229 G230 A231 G233 E250 C253 R254	L223-Y227 HydrophobicContact CD1-CD2 3.97Å; L223-Y227 HydrophobicContact CD1-CE2 3.53Å; L223-Y227 HydrophobicContact CD2-CE2 4.19Å; L223-Y227 HydrophobicContact CG-CD2 3.95Å; L223-Y227 HydrophobicContact CG-CE2 3.66Å; L223-Y227 VanDerWaalsContact O-CD2 3.28Å; L223-Y227 WeakPolarHBondContact O-CD2 3.47Å; L223-Y227 PolarHBondContact O-N 3.37Å; M224-Y227 PolarHBondContact O-N 2.8Å; Y227-V229 PolarHBondContact O-N 3.17Å; Y227-V229 VanDerWaalsContact O-N 3.17Å; Y227-G230 PolarHBondContact O-N 2.99Å; Y227-A231 VanDerWaalsContact CD1-O 3.22Å; Y227-A231 WeakPolarHBondContact CD1-O 3.26Å; Y227-G233 WeakPolarHBondContact OH-CA 3.47Å; Y227-E250 HydrophobicContact CE2-CB 4.27Å; Y227-E250 WeakPolarHBondContact OH-CB 3.49Å; Y227-E250 WeakPolarHBondContact OH-CG 3.28Å; Y227-E250 PolarHBondContact OH-OE1 3.14Å; Y227-C253 HydrophobicContact CD1-CB 4.47Å; Y227-C253 HydrophobicContact CD2-CB 3.78Å; Y227-C253 HydrophobicContact CE2-CB 4.41Å; Y227-C253 HydrophobicContact CG-CB 3.82Å; Y227-R254 HydrophobicContact CE1-CG 4.37Å
228	C	98.6	Very high	98.8	Very high	75 Å²	75	18 Å²	18	51%	0.507	13%	0.125	S	C	.	.	H	α-helix	trans	-57.8	-29.7	177.4	-66.4	0	0	0	0	113.4	M224 A225 A226 W258	M224-C228 PolarHBondContact O-N 3.02Å; M224-C228 PolarHBondContact O-SG 3.24Å; A225-C228 WeakPolarHBondContact O-CB 3.47Å; A225-C228 PolarHBondContact O-N 3.4Å; A226-C228 VanDerWaalsContact C-N 3.32Å; A226-C228 PolarHBondContact O-N 3.46Å; C228-W258 WeakPolarHBondContact SG-CZ3 3.45Å
229	V	98.7	Very high	98.8	Very high	47 Å²	47	17.4 Å²	17.4	29%	0.285	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	11.2	178.5	-59.7	0	0	0	0	113.6	I198 I201 A225 A226 Y227	I198-V229 HydrophobicContact CG2-CB 4.45Å; I198-V229 HydrophobicContact CG2-CG1 3.63Å; I198-V229 HydrophobicContact CG2-CG2 3.96Å; I201-V229 HydrophobicContact CB-CG2 4.26Å; I201-V229 HydrophobicContact CG2-CG2 3.69Å; A225-V229 PolarHBondContact O-N 3.31Å; A226-V229 VanDerWaalsContact O-CG2 3.28Å; A226-V229 WeakPolarHBondContact O-CG2 3.38Å; A226-V229 PolarHBondContact O-N 3.05Å; Y227-V229 PolarHBondContact O-N 3.17Å; Y227-V229 VanDerWaalsContact O-N 3.17Å
230	G	98.6	Very high	98.8	Very high	35 Å²	35	16.7 Å²	16.7	36%	0.361	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.2	14.9	169.9	0	0	0	0	0	116.1	A226 Y227	A226-G230 PolarHBondContact O-N 3.12Å; Y227-G230 PolarHBondContact O-N 2.99Å
231	A	98.8	Very high	98.8	Very high	5 Å²	5	17 Å²	17	4%	0.041	12%	0.116	C	C	.	.			trans	-62	150.6	160.2	0	0	0	0	0	109.9	I201 V215 A226 Y227	I201-A231 HydrophobicContact CG2-CB 4.43Å; V215-A231 CarbonylContact O-C 3.54Å; V215-A231 WeakPolarHBondContact O-CA 3.24Å; V215-A231 WeakPolarHBondContact O-CB 3.29Å; A226-A231 HydrophobicContact CB-CB 3.78Å; A226-A231 VanDerWaalsContact O-CB 3.26Å; A226-A231 WeakPolarHBondContact O-CB 3.39Å; A226-A231 PolarHBondContact O-N 2.88Å; Y227-A231 VanDerWaalsContact CD1-O 3.22Å; Y227-A231 WeakPolarHBondContact CD1-O 3.26Å
232	V	98.8	Very high	98.8	Very high	40 Å²	40	16.1 Å²	16.1	24%	0.242	11%	0.106	C	C	.	.			trans	-112.9	4.8	-170.8	-60.1	0	0	0	0	113.7	S32 G33 Q214 V215 L216	S32-V232 VanDerWaalsContact CA-O 3.3Å; S32-V232 WeakPolarHBondContact CA-O 3.34Å; S32-V232 WeakPolarHBondContact CB-O 3.34Å; G33-V232 PolarHBondContact N-O 3.3Å; G33-V232 VanDerWaalsContact N-O 3.11Å; Q214-V232 HydrophobicContact CB-CG2 3.73Å; Q214-V232 HydrophobicContact CG-CG2 4.08Å; V215-V232 PolarHBondContact O-N 3.43Å; L216-V232 HydrophobicContact CD2-CG2 4.07Å
233	G	98.8	Very high	98.8	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.01	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.5	-176.1	-171.8	0	0	0	0	0	112.9	G33 L216 A217 Y227	G33-G233 CarbonylContact O-C 3.59Å; G33-G233 WeakPolarHBondContact O-CA 3.31Å; L216-G233 WeakPolarHBondContact CA-O 3.41Å; A217-G233 PolarHBondContact N-O 3.01Å; Y227-G233 WeakPolarHBondContact OH-CA 3.47Å
234	G	98.8	Very high	98.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	135	-177.8	0	0	0	0	0	113	G33 I34 Y35 A217	G33-G234 PolarHBondContact O-N 3.08Å; I34-G234 WeakPolarHBondContact CA-O 3.4Å; Y35-G234 PolarHBondContact N-O 3.16Å; A217-G234 CarbonylContact O-C 3.42Å; A217-G234 VanDerWaalsContact O-CA 3.29Å; A217-G234 WeakPolarHBondContact O-CA 3.1Å
235	V	98.9	Very high	98.8	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	94	166.1	-179.4	0	0	0	0	107.7	Y35 P37 V69 K192 L216 A217 G218	Y35-V235 HydrophobicContact CD2-CG2 4.24Å; Y35-V235 HydrophobicContact CG-CG2 4.46Å; Y35-V235 CarbonylContact O-C 3.59Å; Y35-V235 VanDerWaalsContact O-CA 3.29Å; Y35-V235 WeakPolarHBondContact O-CA 3.5Å; P37-V235 HydrophobicContact CB-CG1 3.93Å; P37-V235 HydrophobicContact CG-CG1 3.95Å; V69-V235 HydrophobicContact CB-CG1 4.02Å; V69-V235 HydrophobicContact CG1-CG1 4.28Å; V69-V235 HydrophobicContact CG2-CB 4.49Å; V69-V235 HydrophobicContact CG2-CG1 3.69Å; V69-V235 HydrophobicContact CG2-CG2 3.95Å; K192-V235 HydrophobicContact CD-CB 3.74Å; K192-V235 HydrophobicContact CD-CG1 3.9Å; K192-V235 HydrophobicContact CD-CG2 3.98Å; K192-V235 HydrophobicContact CG-CB 4.2Å; K192-V235 HydrophobicContact CG-CG2 4.26Å; L216-V235 HydrophobicContact CB-CG2 4.46Å; L216-V235 HydrophobicContact CD1-CG2 3.97Å; A217-V235 PolarHBondContact O-N 3.11Å; G218-V235 CarbonylContact C-O 3.39Å; G218-V235 VanDerWaalsContact C-O 3.22Å
236	C	98.8	Very high	98.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.112	C	C	.	.			trans	-115.9	117.1	-163	-60.6	0	0	0	0	111.5	Y35 P37 A220 L238 A239	Y35-C236 PolarHBondContact O-N 3.05Å; P37-C236 WeakPolarHBondContact CD-O 3.38Å; A220-C236 HydrophobicContact CB-CB 4.18Å; C236-L238 PolarHBondContact O-N 2.85Å; C236-A239 HydrophobicContact CB-CB 4.2Å; C236-A239 VanDerWaalsContact O-CB 3.24Å; C236-A239 WeakPolarHBondContact O-CB 3.44Å; C236-A239 PolarHBondContact O-N 2.8Å
237	A	98.8	Very high	98.8	Very high	3 Å²	3	19.3 Å²	19.3	3%	0.025	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-54.8	-41.7	176.4	0	0	0	0	0	112.4	P37 A239 N240 T276 L284	P37-A237 HydrophobicContact CG-CB 4.4Å; A237-A239 PolarHBondContact O-N 3.47Å; A237-A239 VanDerWaalsContact O-N 3.12Å; A237-N240 WeakPolarHBondContact O-CB 3.27Å; A237-N240 PolarHBondContact O-N 2.87Å; A237-N240 VanDerWaalsContact O-N 3.07Å; A237-N240 PolarHBondContact O-ND2 3.2Å; A237-T276 HydrophobicContact CB-CG2 3.86Å; A237-L284 HydrophobicContact CB-CD2 4.35Å; A237-L284 WeakPolarHBondContact O-CD1 3.42Å
238	L	98.9	Very high	98.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-59.2	-23.1	178.2	-170.7	63	0	0	0	113.6	A220 C236 N240 V241 L242 L246 L268 P271 N272 V275 F317	A220-L238 HydrophobicContact CB-CB 4.08Å; A220-L238 HydrophobicContact CB-CD2 4.09Å; C236-L238 PolarHBondContact O-N 2.85Å; L238-N240 PolarHBondContact O-N 3.32Å; L238-V241 HydrophobicContact CD1-CG2 3.88Å; L238-V241 WeakPolarHBondContact O-CG2 3.48Å; L238-V241 PolarHBondContact O-N 2.92Å; L238-V241 VanDerWaalsContact O-N 3.09Å; L238-L242 HydrophobicContact CD1-CD1 4.03Å; L238-L242 HydrophobicContact CD1-CG 4.37Å; L238-L242 HydrophobicContact CD2-CD1 4.14Å; L238-L242 HydrophobicContact CG-CB 4.26Å; L238-L242 HydrophobicContact CG-CD1 4.13Å; L238-L242 HydrophobicContact CG-CG 4.45Å; L238-L242 PolarHBondContact O-N 3.36Å; L238-L246 HydrophobicContact CB-CD2 4.48Å; L238-L246 HydrophobicContact CD2-CD2 4.13Å; L238-L246 HydrophobicContact CG-CD2 4.21Å; L238-L268 HydrophobicContact CD2-CB 4.21Å; L238-L268 HydrophobicContact CD2-CD2 3.85Å; L238-P271 HydrophobicContact CD1-CB 3.95Å; L238-P271 HydrophobicContact CD2-CB 4.22Å; L238-N272 HydrophobicContact CD2-CB 3.85Å; L238-V275 HydrophobicContact CB-CG2 4.33Å; L238-V275 HydrophobicContact CD1-CG2 4.05Å; L238-F317 HydrophobicContact CD1-CE1 4.21Å; L238-F317 HydrophobicContact CD1-CZ 3.88Å
239	A	98.8	Very high	98.8	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-67	-14.2	177.1	0	0	0	0	0	113.4	I34 P36 F65 C236 A237 V241 G243 L246	I34-A239 HydrophobicContact CG2-CB 4.15Å; P36-A239 HydrophobicContact CB-CB 4.04Å; F65-A239 HydrophobicContact CE1-CB 3.97Å; F65-A239 HydrophobicContact CZ-CB 4.13Å; F65-A239 WeakPolarHBondContact CZ-O 3.3Å; C236-A239 HydrophobicContact CB-CB 4.2Å; C236-A239 VanDerWaalsContact O-CB 3.24Å; C236-A239 WeakPolarHBondContact O-CB 3.44Å; C236-A239 PolarHBondContact O-N 2.8Å; A237-A239 PolarHBondContact O-N 3.47Å; A237-A239 VanDerWaalsContact O-N 3.12Å; A239-V241 PolarHBondContact O-N 2.79Å; A239-G243 WeakPolarHBondContact O-CA 3.26Å; A239-G243 PolarHBondContact O-N 3.39Å; A239-L246 HydrophobicContact CB-CB 4.4Å; A239-L246 HydrophobicContact CB-CG 4.42Å
240	N	98.9	Very high	98.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-65.4	-19.3	171	-72.5	-82.9	0	0	0	113	P37 I38 Y60 A237 L238 L284 M288	P37-N240 PolarHBondContact O-ND2 2.81Å; I38-N240 WeakPolarHBondContact CA-OD1 3.18Å; Y60-N240 WeakPolarHBondContact CE1-O 3.42Å; Y60-N240 WeakPolarHBondContact OH-CB 3.45Å; Y60-N240 PolarHBondContact OH-O 3.41Å; Y60-N240 PolarHBondContact OH-OD1 2.88Å; Y60-N240 VanDerWaalsContact OH-OD1 3.11Å; A237-N240 WeakPolarHBondContact O-CB 3.27Å; A237-N240 PolarHBondContact O-N 2.87Å; A237-N240 VanDerWaalsContact O-N 3.07Å; A237-N240 PolarHBondContact O-ND2 3.2Å; L238-N240 PolarHBondContact O-N 3.32Å; N240-L284 HydrophobicContact CB-CD1 4.09Å; N240-M288 HydrophobicContact CB-CG 4.36Å; N240-M288 HydrophobicContact CB-SD 4.31Å
241	V	98.8	Very high	98.8	Very high	7 Å²	7	20.7 Å²	20.7	4%	0.042	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.2	-36.5	-179.1	-66	0	0	0	0	113.4	L238 A239 A287 M288 F291 F317	L238-V241 HydrophobicContact CD1-CG2 3.88Å; L238-V241 WeakPolarHBondContact O-CG2 3.48Å; L238-V241 PolarHBondContact O-N 2.92Å; L238-V241 VanDerWaalsContact O-N 3.09Å; A239-V241 PolarHBondContact O-N 2.79Å; V241-A287 HydrophobicContact CG1-CB 4.2Å; V241-M288 HydrophobicContact CG1-CB 4.26Å; V241-M288 HydrophobicContact CG1-CG 3.69Å; V241-F291 HydrophobicContact CB-CB 4.28Å; V241-F291 HydrophobicContact CB-CD1 4.35Å; V241-F291 HydrophobicContact CB-CD2 4.28Å; V241-F291 HydrophobicContact CB-CG 4.04Å; V241-F291 HydrophobicContact CG1-CB 4.27Å; V241-F291 HydrophobicContact CG1-CG 4.41Å; V241-F317 HydrophobicContact CG2-CE1 4.1Å; V241-F317 HydrophobicContact CG2-CZ 4.21Å
242	L	98.8	Very high	98.8	Very high	3 Å²	3	21 Å²	21	2%	0.016	10%	0.099	C	C	.	.	S	Bend	trans	-112.8	46.2	178.8	-62.3	-179.5	0	0	0	111.5	L238 Q244 E245 L246 L268 F291 F317 W322	L238-L242 HydrophobicContact CD1-CD1 4.03Å; L238-L242 HydrophobicContact CD1-CG 4.37Å; L238-L242 HydrophobicContact CD2-CD1 4.14Å; L238-L242 HydrophobicContact CG-CB 4.26Å; L238-L242 HydrophobicContact CG-CD1 4.13Å; L238-L242 HydrophobicContact CG-CG 4.45Å; L238-L242 PolarHBondContact O-N 3.36Å; L242-Q244 PolarHBondContact O-N 3.49Å; L242-E245 WeakPolarHBondContact CA-OE2 3.15Å; L242-E245 HydrophobicContact CB-CB 4.24Å; L242-E245 HydrophobicContact CB-CG 4.41Å; L242-E245 PolarHBondContact O-N 2.9Å; L242-L246 HydrophobicContact CB-CD2 4.08Å; L242-L246 WeakPolarHBondContact O-CD2 3.41Å; L242-L246 PolarHBondContact O-N 2.9Å; L242-L246 VanDerWaalsContact O-N 3.1Å; L242-L268 HydrophobicContact CD1-CD2 3.76Å; L242-F291 HydrophobicContact CD2-CD1 4.36Å; L242-F291 HydrophobicContact CD2-CE1 3.51Å; L242-F291 HydrophobicContact CD2-CZ 3.96Å; L242-F317 HydrophobicContact CD1-CE1 4.33Å; L242-W322 HydrophobicContact CD1-CB 4.36Å; L242-W322 HydrophobicContact CD1-CD2 3.91Å; L242-W322 HydrophobicContact CD1-CE3 4.45Å; L242-W322 HydrophobicContact CD1-CG 3.85Å; L242-W322 HydrophobicContact CD2-CB 4.36Å; L242-W322 HydrophobicContact CD2-CD2 4.33Å; L242-W322 HydrophobicContact CD2-CE3 4.18Å; L242-W322 HydrophobicContact CD2-CG 4.43Å
243	G	98.6	Very high	98.8	Very high	2 Å²	2	19.3 Å²	19.3	2%	0.021	9%	0.089	C	C	.	.	H	α-helix	trans	-60.8	-43.8	-174	0	0	0	0	0	114	A239 L246 C247	A239-G243 WeakPolarHBondContact O-CA 3.26Å; A239-G243 PolarHBondContact O-N 3.39Å; G243-L246 PolarHBondContact O-N 3.29Å; G243-C247 PolarHBondContact O-N 3.19Å; G243-C247 PolarHBondContact O-SG 3.41Å
244	Q	98.6	Very high	98.8	Very high	93 Å²	93	26.4 Å²	26.4	44%	0.435	12%	0.116	S	C	.	.	H	α-helix	trans	-64	-43.1	-179.9	-67.4	-69.5	-4.7	0	0	111.1	E62 L242 L246 C247 E248	E62-Q244 PolarHBondContact O-NE2 2.85Å; L242-Q244 PolarHBondContact O-N 3.49Å; Q244-L246 VanDerWaalsContact C-N 3.31Å; Q244-L246 PolarHBondContact O-N 3.05Å; Q244-C247 PolarHBondContact O-N 3.07Å; Q244-E248 WeakPolarHBondContact O-CB 3.46Å; Q244-E248 PolarHBondContact O-N 3.12Å
245	E	98.8	Very high	98.7	Very high	57 Å²	57	29.9 Å²	29.9	27%	0.266	14%	0.14	S	C	.	.	H	α-helix	trans	-63.6	-38	178.3	-64.9	67.6	-154.8	0	0	111.4	L242 E248 L249 L264 L268 W322	L242-E245 WeakPolarHBondContact CA-OE2 3.15Å; L242-E245 HydrophobicContact CB-CB 4.24Å; L242-E245 HydrophobicContact CB-CG 4.41Å; L242-E245 PolarHBondContact O-N 2.9Å; E245-E248 PolarHBondContact O-N 3.29Å; E245-L249 PolarHBondContact O-N 2.76Å; E245-L264 HydrophobicContact CB-CD1 4.45Å; E245-L264 WeakPolarHBondContact O-CD2 3.4Å; E245-L268 HydrophobicContact CB-CD2 4.38Å; E245-W322 HydrophobicContact CB-CH2 4.42Å; E245-W322 HydrophobicContact CG-CE3 4.26Å; E245-W322 HydrophobicContact CG-CH2 3.68Å; E245-W322 HydrophobicContact CG-CZ3 3.47Å; E245-W322 VanDerWaalsContact CG-CZ3 3.47Å
246	L	98.8	Very high	98.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-72.1	-38.4	178	-90.4	-55.3	0	0	0	112.5	I34 A220 L223 L238 A239 L242 G243 Q244 E248 L249 E250 L268	I34-L246 HydrophobicContact CG2-CB 4.22Å; A220-L246 HydrophobicContact CB-CD1 3.68Å; A220-L246 HydrophobicContact CB-CD2 4.47Å; A220-L246 HydrophobicContact CB-CG 4.35Å; L223-L246 HydrophobicContact CD2-CD1 3.71Å; L238-L246 HydrophobicContact CB-CD2 4.48Å; L238-L246 HydrophobicContact CD2-CD2 4.13Å; L238-L246 HydrophobicContact CG-CD2 4.21Å; A239-L246 HydrophobicContact CB-CB 4.4Å; A239-L246 HydrophobicContact CB-CG 4.42Å; L242-L246 HydrophobicContact CB-CD2 4.08Å; L242-L246 WeakPolarHBondContact O-CD2 3.41Å; L242-L246 PolarHBondContact O-N 2.9Å; L242-L246 VanDerWaalsContact O-N 3.1Å; G243-L246 PolarHBondContact O-N 3.29Å; Q244-L246 VanDerWaalsContact C-N 3.31Å; Q244-L246 PolarHBondContact O-N 3.05Å; L246-E248 VanDerWaalsContact C-N 3.31Å; L246-L249 HydrophobicContact CD1-CD2 4.42Å; L246-L249 PolarHBondContact O-N 2.87Å; L246-E250 PolarHBondContact O-N 3.12Å; L246-L268 HydrophobicContact CD1-CD1 4.17Å; L246-L268 HydrophobicContact CD2-CD1 4.13Å; L246-L268 HydrophobicContact CD2-CD2 4.06Å
247	C	98.9	Very high	98.6	Very high	13 Å²	13	33.4 Å²	33.4	9%	0.088	17%	0.17	C	C	.	.	H	α-helix	trans	-64.8	-35.8	170.6	-72.9	0	0	0	0	111.9	P64 G243 Q244 E250 R251	P64-C247 HydrophobicContact CG-CB 3.89Å; G243-C247 PolarHBondContact O-N 3.19Å; G243-C247 PolarHBondContact O-SG 3.41Å; Q244-C247 PolarHBondContact O-N 3.07Å; C247-E250 WeakPolarHBondContact O-CB 3.47Å; C247-E250 PolarHBondContact O-N 2.89Å; C247-R251 PolarHBondContact O-N 3.08Å
248	E	98.9	Very high	98.6	Very high	70 Å²	70	38.2 Å²	38.2	33%	0.327	19%	0.188	S	C	.	.	H	α-helix	trans	-66.6	-41.2	173.7	177.1	59.1	-171.9	0	0	111.6	Q244 E245 L246 E250 R251 L252 L264	Q244-E248 WeakPolarHBondContact O-CB 3.46Å; Q244-E248 PolarHBondContact O-N 3.12Å; E245-E248 PolarHBondContact O-N 3.29Å; L246-E248 VanDerWaalsContact C-N 3.31Å; E248-E250 VanDerWaalsContact C-N 3.33Å; E248-E250 PolarHBondContact O-N 3.48Å; E248-R251 WeakPolarHBondContact O-CB 3.4Å; E248-R251 PolarHBondContact O-N 2.93Å; E248-R251 VanDerWaalsContact O-N 3.12Å; E248-R251 IonicContact OE1-CZ 3.22Å; E248-R251 IonicContact OE1-NE 3Å; E248-R251 PolarHBondContact OE1-NE 2.99Å; E248-R251 IonicContact OE1-NH2 3.19Å; E248-R251 PolarHBondContact OE1-NH2 3.05Å; E248-R251 IonicContact OE2-CZ 3.42Å; E248-R251 IonicContact OE2-NE 3.92Å; E248-R251 PolarHBondContact OE2-NE 3.17Å; E248-R251 IonicContact OE2-NH2 2.68Å; E248-L252 HydrophobicContact CG-CD1 4.11Å; E248-L252 HydrophobicContact CG-CG 4.42Å; E248-L252 VanDerWaalsContact O-CG 3.3Å; E248-L252 WeakPolarHBondContact O-CG 3.32Å; E248-L252 PolarHBondContact O-N 2.76Å; E248-L264 HydrophobicContact CB-CD2 4.23Å; E248-L264 HydrophobicContact CG-CD2 3.95Å
249	L	98.9	Very high	98.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.2	-43.3	174.3	-177.9	55.9	0	0	0	111.5	L223 M224 E245 L246 L252 C253 A261 L264 Q265 L268	L223-L249 HydrophobicContact CB-CD2 4.26Å; L223-L249 HydrophobicContact CD2-CD2 4.06Å; L223-L249 HydrophobicContact CD2-CG 4.38Å; L223-L249 HydrophobicContact CG-CD2 4.43Å; M224-L249 HydrophobicContact CB-CD1 4.39Å; E245-L249 PolarHBondContact O-N 2.76Å; L246-L249 HydrophobicContact CD1-CD2 4.42Å; L246-L249 PolarHBondContact O-N 2.87Å; L249-L252 PolarHBondContact O-N 3.04Å; L249-C253 WeakPolarHBondContact O-CB 3.47Å; L249-C253 PolarHBondContact O-N 3.2Å; L249-C253 PolarHBondContact O-SG 3.12Å; L249-C253 VanDerWaalsContact O-SG 3.32Å; L249-A261 HydrophobicContact CD1-CB 3.91Å; L249-A261 WeakPolarHBondContact CD1-O 3.46Å; L249-L264 HydrophobicContact CB-CD2 3.87Å; L249-L264 HydrophobicContact CB-CG 4.37Å; L249-Q265 HydrophobicContact CD1-CB 4.3Å; L249-Q265 HydrophobicContact CD2-CB 4.32Å; L249-L268 HydrophobicContact CD2-CD1 3.9Å
250	E	98.8	Very high	98.6	Very high	22 Å²	22	49.1 Å²	49.1	10%	0.103	24%	0.239	C	C	.	.	H	α-helix	trans	-55.9	-50.8	170.9	165.7	167.6	-136	0	0	111.4	G33 I34 Y227 L246 C247 E248 L252 C253 R254	G33-E250 VanDerWaalsContact CA-OE1 3.29Å; G33-E250 WeakPolarHBondContact CA-OE1 3.49Å; I34-E250 HydrophobicContact CD1-CB 4.14Å; I34-E250 HydrophobicContact CG1-CB 3.96Å; Y227-E250 HydrophobicContact CE2-CB 4.27Å; Y227-E250 WeakPolarHBondContact OH-CB 3.49Å; Y227-E250 WeakPolarHBondContact OH-CG 3.28Å; Y227-E250 PolarHBondContact OH-OE1 3.14Å; L246-E250 PolarHBondContact O-N 3.12Å; C247-E250 WeakPolarHBondContact O-CB 3.47Å; C247-E250 PolarHBondContact O-N 2.89Å; E248-E250 VanDerWaalsContact C-N 3.33Å; E248-E250 PolarHBondContact O-N 3.48Å; E250-L252 VanDerWaalsContact C-N 3.31Å; E250-L252 PolarHBondContact O-N 3.46Å; E250-C253 PolarHBondContact O-N 3.33Å; E250-R254 HydrophobicContact CG-CG 4.15Å; E250-R254 WeakPolarHBondContact O-CB 3.44Å; E250-R254 WeakPolarHBondContact O-CG 3.29Å; E250-R254 PolarHBondContact O-N 2.88Å; E250-R254 WeakPolarHBondContact OE1-CD 3.35Å; E250-R254 IonicContact OE1-NH1 3.82Å; E250-R254 PolarHBondContact OE1-NH1 3.36Å
251	R	98.8	Very high	98.6	Very high	118 Å²	118	49.1 Å²	49.1	45%	0.445	24%	0.239	S	C	.	.	H	α-helix	trans	-58.5	-43.4	-177.9	-170	-162.8	67.7	75.6	0.8	111.6	C247 E248 S255	C247-R251 PolarHBondContact O-N 3.08Å; E248-R251 WeakPolarHBondContact O-CB 3.4Å; E248-R251 PolarHBondContact O-N 2.93Å; E248-R251 VanDerWaalsContact O-N 3.12Å; E248-R251 IonicContact OE1-CZ 3.22Å; E248-R251 IonicContact OE1-NE 3Å; E248-R251 PolarHBondContact OE1-NE 2.99Å; E248-R251 IonicContact OE1-NH2 3.19Å; E248-R251 PolarHBondContact OE1-NH2 3.05Å; E248-R251 IonicContact OE2-CZ 3.42Å; E248-R251 IonicContact OE2-NE 3.92Å; E248-R251 PolarHBondContact OE2-NE 3.17Å; E248-R251 IonicContact OE2-NH2 2.68Å; R251-S255 VanDerWaalsContact O-CB 3.25Å; R251-S255 WeakPolarHBondContact O-CB 3.43Å; R251-S255 PolarHBondContact O-N 3.3Å; R251-S255 PolarHBondContact O-OG 3.49Å
252	L	98.9	Very high	98.6	Very high	10 Å²	10	52.4 Å²	52.4	5%	0.052	25%	0.252	C	S	.	.	H	α-helix	trans	-64.3	-46.9	178	-68.6	170.1	0	0	0	111.2	E248 L249 E250 R254 S255 G256 C257 E260 A261 L264	E248-L252 HydrophobicContact CG-CD1 4.11Å; E248-L252 HydrophobicContact CG-CG 4.42Å; E248-L252 VanDerWaalsContact O-CG 3.3Å; E248-L252 WeakPolarHBondContact O-CG 3.32Å; E248-L252 PolarHBondContact O-N 2.76Å; L249-L252 PolarHBondContact O-N 3.04Å; E250-L252 VanDerWaalsContact C-N 3.31Å; E250-L252 PolarHBondContact O-N 3.46Å; L252-R254 PolarHBondContact O-N 2.97Å; L252-S255 PolarHBondContact O-N 2.88Å; L252-G256 PolarHBondContact O-N 3Å; L252-G256 VanDerWaalsContact O-N 3.14Å; L252-C257 HydrophobicContact CB-CB 4.2Å; L252-C257 HydrophobicContact CD2-CB 3.62Å; L252-C257 PolarHBondContact O-N 3.43Å; L252-E260 HydrophobicContact CD1-CB 4.06Å; L252-E260 HydrophobicContact CD2-CB 3.89Å; L252-A261 HydrophobicContact CB-CB 3.85Å; L252-L264 HydrophobicContact CD1-CD2 4.04Å
253	C	98.7	Very high	98.6	Very high	6 Å²	6	56.1 Å²	56.1	4%	0.041	28%	0.275	C	S	.	.	H	α-helix	trans	-60.5	-46	176.3	-71.9	0	0	0	0	112.1	Y227 L249 E250 S255 G256 W258	Y227-C253 HydrophobicContact CD1-CB 4.47Å; Y227-C253 HydrophobicContact CD2-CB 3.78Å; Y227-C253 HydrophobicContact CE2-CB 4.41Å; Y227-C253 HydrophobicContact CG-CB 3.82Å; L249-C253 WeakPolarHBondContact O-CB 3.47Å; L249-C253 PolarHBondContact O-N 3.2Å; L249-C253 PolarHBondContact O-SG 3.12Å; L249-C253 VanDerWaalsContact O-SG 3.32Å; E250-C253 PolarHBondContact O-N 3.33Å; C253-S255 VanDerWaalsContact C-N 3.3Å; C253-S255 PolarHBondContact O-N 3.4Å; C253-G256 PolarHBondContact O-N 3.35Å; C253-W258 HydrophobicContact CB-CH2 4.42Å; C253-W258 HydrophobicContact CB-CZ3 4.04Å
254	R	97.8	Very high	98.6	Very high	150 Å²	150	57 Å²	57	57%	0.566	28%	0.279	S	S	*	.	H	α-helix	trans	-68.9	-28.7	-179.2	-68.5	179	72.6	135	3.9	113.1	Y227 E250 L252 G256	Y227-R254 HydrophobicContact CE1-CG 4.37Å; E250-R254 HydrophobicContact CG-CG 4.15Å; E250-R254 WeakPolarHBondContact O-CB 3.44Å; E250-R254 WeakPolarHBondContact O-CG 3.29Å; E250-R254 PolarHBondContact O-N 2.88Å; E250-R254 WeakPolarHBondContact OE1-CD 3.35Å; E250-R254 IonicContact OE1-NH1 3.82Å; E250-R254 PolarHBondContact OE1-NH1 3.36Å; L252-R254 PolarHBondContact O-N 2.97Å; R254-G256 VanDerWaalsContact C-N 3.34Å
255	S	98.1	Very high	98.6	Very high	73 Å²	73	53.3 Å²	53.3	51%	0.51	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-4.8	176.4	-54.4	0	0	0	0	113.5	R251 L252 C253 C257	R251-S255 VanDerWaalsContact O-CB 3.25Å; R251-S255 WeakPolarHBondContact O-CB 3.43Å; R251-S255 PolarHBondContact O-N 3.3Å; R251-S255 PolarHBondContact O-OG 3.49Å; L252-S255 PolarHBondContact O-N 2.88Å; C253-S255 VanDerWaalsContact C-N 3.3Å; C253-S255 PolarHBondContact O-N 3.4Å; S255-C257 VanDerWaalsContact C-N 3.3Å; S255-C257 PolarHBondContact O-N 3.26Å
256	G	97.4	Very high	98.6	Very high	37 Å²	37	55.9 Å²	55.9	38%	0.381	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	17.4	-176.6	0	0	0	0	0	114.7	L252 C253 R254 W258	L252-G256 PolarHBondContact O-N 3Å; L252-G256 VanDerWaalsContact O-N 3.14Å; C253-G256 PolarHBondContact O-N 3.35Å; R254-G256 VanDerWaalsContact C-N 3.34Å; G256-W258 PolarHBondContact O-N 3.38Å
257	C	98.5	Very high	98.6	Very high	38 Å²	38	60.2 Å²	60.2	26%	0.257	29%	0.29	S	S	.	.			trans	-80.2	64.5	176.1	-60.4	0	0	0	0	110.3	L252 S255 E259 A261	L252-C257 HydrophobicContact CB-CB 4.2Å; L252-C257 HydrophobicContact CD2-CB 3.62Å; L252-C257 PolarHBondContact O-N 3.43Å; S255-C257 VanDerWaalsContact C-N 3.3Å; S255-C257 PolarHBondContact O-N 3.26Å; C257-E259 VanDerWaalsContact C-N 3.35Å; C257-E259 PolarHBondContact O-N 2.89Å; C257-A261 VanDerWaalsContact O-CB 3.25Å; C257-A261 WeakPolarHBondContact O-CB 3.38Å; C257-A261 PolarHBondContact O-N 3Å
258	W	98.1	Very high	98.6	Very high	104 Å²	104	59.6 Å²	59.6	39%	0.394	29%	0.286	S	S	.	.	H	α-helix	trans	-69	-29	-167.8	-61	113	0	0	0	114.2	M224 C228 C253 G256 K262	M224-W258 HydrophobicContact CE-CB 4.33Å; M224-W258 HydrophobicContact CE-CE3 3.85Å; M224-W258 VanDerWaalsContact CE-O 3.29Å; M224-W258 WeakPolarHBondContact CE-O 3.4Å; C228-W258 WeakPolarHBondContact SG-CZ3 3.45Å; C253-W258 HydrophobicContact CB-CH2 4.42Å; C253-W258 HydrophobicContact CB-CZ3 4.04Å; G256-W258 PolarHBondContact O-N 3.38Å; W258-K262 VanDerWaalsContact O-CB 3.24Å; W258-K262 WeakPolarHBondContact O-CB 3.46Å; W258-K262 PolarHBondContact O-N 3.49Å
259	E	98.6	Very high	98.6	Very high	119 Å²	119	59.9 Å²	59.9	56%	0.556	29%	0.289	S	S	*	.	H	α-helix	trans	-71.9	-45.8	179.7	-74	-60.5	130.3	0	0	111.3	C257 K262 V263	C257-E259 VanDerWaalsContact C-N 3.35Å; C257-E259 PolarHBondContact O-N 2.89Å; E259-K262 WeakPolarHBondContact O-CB 3.38Å; E259-K262 PolarHBondContact O-N 3.21Å; E259-K262 IonicContact OE1-NZ 3.17Å; E259-K262 PolarHBondContact OE1-NZ 3.41Å; E259-K262 WeakPolarHBondContact OE2-CE 3.35Å; E259-K262 IonicContact OE2-NZ 2.65Å; E259-K262 PolarHBondContact OE2-NZ 3.14Å; E259-V263 PolarHBondContact O-N 3.35Å; E259-V263 VanDerWaalsContact O-N 3.16Å
260	E	98.7	Very high	98.6	Very high	109 Å²	109	63.9 Å²	63.9	51%	0.509	31%	0.308	S	S	.	.	H	α-helix	trans	-66.6	-42.3	174	-61	87.9	163.7	0	0	111.2	L252 K262 V263 L264	L252-E260 HydrophobicContact CD1-CB 4.06Å; L252-E260 HydrophobicContact CD2-CB 3.89Å; E260-K262 VanDerWaalsContact C-N 3.25Å; E260-K262 PolarHBondContact O-N 3.32Å; E260-V263 PolarHBondContact O-N 3.43Å; E260-L264 PolarHBondContact O-N 3Å
261	A	98.8	Very high	98.6	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-58	-40.1	174.8	0	0	0	0	0	111.5	M224 L249 L252 C257 L264 Q265	M224-A261 HydrophobicContact CE-CB 4.16Å; M224-A261 HydrophobicContact CG-CB 4.29Å; M224-A261 HydrophobicContact SD-CB 4.25Å; L249-A261 HydrophobicContact CD1-CB 3.91Å; L249-A261 WeakPolarHBondContact CD1-O 3.46Å; L252-A261 HydrophobicContact CB-CB 3.85Å; C257-A261 VanDerWaalsContact O-CB 3.25Å; C257-A261 WeakPolarHBondContact O-CB 3.38Å; C257-A261 PolarHBondContact O-N 3Å; A261-L264 PolarHBondContact O-N 3.03Å; A261-Q265 WeakPolarHBondContact O-CB 3.4Å; A261-Q265 PolarHBondContact O-N 2.65Å
262	K	98.8	Very high	98.6	Very high	77 Å²	77	57.7 Å²	57.7	34%	0.335	28%	0.284	S	S	.	.	H	α-helix	trans	-63.1	-47.3	177.4	-179.3	-179.9	67.4	-163.6	0	111.7	M224 W258 E259 E260 L264 Q265 Q266	M224-K262 HydrophobicContact CE-CB 3.94Å; M224-K262 VanDerWaalsContact SD-CA 3.58Å; M224-K262 HydrophobicContact SD-CB 4.1Å; W258-K262 VanDerWaalsContact O-CB 3.24Å; W258-K262 WeakPolarHBondContact O-CB 3.46Å; W258-K262 PolarHBondContact O-N 3.49Å; E259-K262 WeakPolarHBondContact O-CB 3.38Å; E259-K262 PolarHBondContact O-N 3.21Å; E259-K262 IonicContact OE1-NZ 3.17Å; E259-K262 PolarHBondContact OE1-NZ 3.41Å; E259-K262 WeakPolarHBondContact OE2-CE 3.35Å; E259-K262 IonicContact OE2-NZ 2.65Å; E259-K262 PolarHBondContact OE2-NZ 3.14Å; E260-K262 VanDerWaalsContact C-N 3.25Å; E260-K262 PolarHBondContact O-N 3.32Å; K262-L264 VanDerWaalsContact C-N 3.35Å; K262-L264 PolarHBondContact O-N 3.24Å; K262-Q265 PolarHBondContact O-N 3.31Å; K262-Q266 WeakPolarHBondContact O-CB 3.21Å; K262-Q266 VanDerWaalsContact O-CG 3.25Å; K262-Q266 WeakPolarHBondContact O-CG 3.48Å; K262-Q266 PolarHBondContact O-N 3.13Å
263	V	98.8	Very high	98.6	Very high	80 Å²	80	57.4 Å²	57.4	49%	0.485	28%	0.283	S	S	.	.	H	α-helix	trans	-60.8	-46	178.4	172.6	0	0	0	0	110.6	E259 E260 Q266 R267	E259-V263 PolarHBondContact O-N 3.35Å; E259-V263 VanDerWaalsContact O-N 3.16Å; E260-V263 PolarHBondContact O-N 3.43Å; V263-Q266 PolarHBondContact O-N 3.39Å; V263-R267 PolarHBondContact O-N 3.28Å
264	L	98.9	Very high	98.6	Very high	21 Å²	21	57.1 Å²	57.1	11%	0.11	28%	0.282	C	S	.	.	H	α-helix	trans	-65.5	-46.8	178	-178.6	54.5	0	0	0	111.8	E245 E248 L249 L252 E260 A261 K262 Q266 R267 L268 W322	E245-L264 HydrophobicContact CB-CD1 4.45Å; E245-L264 WeakPolarHBondContact O-CD2 3.4Å; E248-L264 HydrophobicContact CB-CD2 4.23Å; E248-L264 HydrophobicContact CG-CD2 3.95Å; L249-L264 HydrophobicContact CB-CD2 3.87Å; L249-L264 HydrophobicContact CB-CG 4.37Å; L252-L264 HydrophobicContact CD1-CD2 4.04Å; E260-L264 PolarHBondContact O-N 3Å; A261-L264 PolarHBondContact O-N 3.03Å; K262-L264 VanDerWaalsContact C-N 3.35Å; K262-L264 PolarHBondContact O-N 3.24Å; L264-Q266 VanDerWaalsContact C-N 3.3Å; L264-Q266 PolarHBondContact O-N 3.03Å; L264-R267 PolarHBondContact O-N 2.8Å; L264-L268 HydrophobicContact CD1-CD1 4.11Å; L264-L268 HydrophobicContact CD1-CG 4.31Å; L264-L268 HydrophobicContact CG-CD1 3.99Å; L264-L268 WeakPolarHBondContact O-CG 3.36Å; L264-L268 PolarHBondContact O-N 3.4Å; L264-W322 HydrophobicContact CD1-CH2 3.76Å; L264-W322 HydrophobicContact CD1-CZ2 4.08Å
265	Q	98.9	Very high	98.6	Very high	15 Å²	15	50 Å²	50	7%	0.07	26%	0.255	C	S	.	.	H	α-helix	trans	-54.7	-45.9	176.5	175.1	64.9	85.9	0	0	111.4	A220 M224 L249 A261 K262 R267 L268 I269	A220-Q265 PolarHBondContact O-NE2 3.1Å; A220-Q265 PolarHBondContact O-OE1 2.81Å; M224-Q265 HydrophobicContact CB-CB 4.03Å; M224-Q265 HydrophobicContact CB-CG 3.87Å; M224-Q265 VanDerWaalsContact CB-OE1 3.32Å; M224-Q265 HydrophobicContact SD-CB 4.11Å; M224-Q265 HydrophobicContact SD-CG 4.39Å; L249-Q265 HydrophobicContact CD1-CB 4.3Å; L249-Q265 HydrophobicContact CD2-CB 4.32Å; A261-Q265 WeakPolarHBondContact O-CB 3.4Å; A261-Q265 PolarHBondContact O-N 2.65Å; K262-Q265 PolarHBondContact O-N 3.31Å; Q265-R267 PolarHBondContact O-N 3.2Å; Q265-L268 PolarHBondContact O-N 3.16Å; Q265-L268 VanDerWaalsContact O-N 3.11Å; Q265-I269 WeakPolarHBondContact O-CG1 3.34Å; Q265-I269 PolarHBondContact O-N 3.28Å
266	Q	98.8	Very high	98.7	Very high	112 Å²	112	48.5 Å²	48.5	52%	0.523	24%	0.242	S	C	.	.	H	α-helix	trans	-58.1	-45.9	-179.8	-77.3	171.5	-19.4	0	0	112	K262 V263 L264 L268 I269	K262-Q266 WeakPolarHBondContact O-CB 3.21Å; K262-Q266 VanDerWaalsContact O-CG 3.25Å; K262-Q266 WeakPolarHBondContact O-CG 3.48Å; K262-Q266 PolarHBondContact O-N 3.13Å; V263-Q266 PolarHBondContact O-N 3.39Å; L264-Q266 VanDerWaalsContact C-N 3.3Å; L264-Q266 PolarHBondContact O-N 3.03Å; Q266-L268 PolarHBondContact O-N 2.82Å; Q266-I269 PolarHBondContact O-N 3.41Å
267	R	98.8	Very high	98.6	Very high	91 Å²	91	56.7 Å²	56.7	34%	0.343	26%	0.262	S	S	.	.	H	α-helix	trans	-66.2	-20.3	177.9	-67.5	176.4	61.2	-147.3	-5.5	113.8	V263 L264 Q265 P271 N320 G321 W322	V263-R267 PolarHBondContact O-N 3.28Å; L264-R267 PolarHBondContact O-N 2.8Å; Q265-R267 PolarHBondContact O-N 3.2Å; R267-P271 WeakPolarHBondContact O-CD 3.5Å; R267-N320 PolarHBondContact NE-O 2.68Å; R267-N320 PolarHBondContact NH2-O 3.35Å; R267-N320 WeakPolarHBondContact O-CB 3.4Å; R267-N320 PolarHBondContact O-OD1 3.34Å; R267-G321 PolarHBondContact NH2-O 3.18Å; R267-W322 HydrophobicContact CB-CZ2 3.7Å; R267-W322 VanDerWaalsContact CZ-CH2 3.42Å; R267-W322 VanDerWaalsContact NH2-CH2 3.34Å; R267-W322 PolarHBondContact O-NE1 3.17Å
268	L	98.9	Very high	98.5	Very high	0 Å²	0	59 Å²	59	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-90.1	-13.4	-179.6	-66.1	169.2	0	0	0	113.2	L238 L242 E245 L246 L249 L264 Q265 Q266 N272 W322	L238-L268 HydrophobicContact CD2-CB 4.21Å; L238-L268 HydrophobicContact CD2-CD2 3.85Å; L242-L268 HydrophobicContact CD1-CD2 3.76Å; E245-L268 HydrophobicContact CB-CD2 4.38Å; L246-L268 HydrophobicContact CD1-CD1 4.17Å; L246-L268 HydrophobicContact CD2-CD1 4.13Å; L246-L268 HydrophobicContact CD2-CD2 4.06Å; L249-L268 HydrophobicContact CD2-CD1 3.9Å; L264-L268 HydrophobicContact CD1-CD1 4.11Å; L264-L268 HydrophobicContact CD1-CG 4.31Å; L264-L268 HydrophobicContact CG-CD1 3.99Å; L264-L268 WeakPolarHBondContact O-CG 3.36Å; L264-L268 PolarHBondContact O-N 3.4Å; Q265-L268 PolarHBondContact O-N 3.16Å; Q265-L268 VanDerWaalsContact O-N 3.11Å; Q266-L268 PolarHBondContact O-N 2.82Å; L268-N272 WeakPolarHBondContact O-CB 3.4Å; L268-N272 PolarHBondContact O-N 3.5Å; L268-W322 HydrophobicContact CD2-CZ2 3.81Å; L268-W322 HydrophobicContact CG-CZ2 4.27Å
269	I	98.8	Very high	98.5	Very high	75 Å²	75	55.1 Å²	55.1	39%	0.385	25%	0.254	S	S	.	.	H	α-helix	trans	-63.7	-51.8	-172.8	-71.3	167.2	0	0	0	112	Q265 Q266 N272 A273	Q265-I269 WeakPolarHBondContact O-CG1 3.34Å; Q265-I269 PolarHBondContact O-N 3.28Å; Q266-I269 PolarHBondContact O-N 3.41Å; I269-N272 PolarHBondContact O-N 3.34Å; I269-A273 WeakPolarHBondContact O-CB 3.47Å; I269-A273 PolarHBondContact O-N 3.35Å
270	E	98.8	Very high	98.5	Very high	84 Å²	84	50.5 Å²	50.5	39%	0.393	24%	0.238	S	C	.	.	H	α-helix	trans	-68.3	-49.1	-177.6	-70.6	-177.1	153.4	0	0	112.5	N272 A273 A274 D316 N320	E270-N272 VanDerWaalsContact C-N 3.28Å; E270-N272 PolarHBondContact O-N 3.29Å; E270-A273 PolarHBondContact O-N 3.07Å; E270-A273 VanDerWaalsContact O-N 3.08Å; E270-A274 PolarHBondContact O-N 3.12Å; E270-D316 HydrophobicContact CB-CB 4.34Å; E270-N320 PolarHBondContact OE2-ND2 3.25Å
271	P	98.8	Very high	98.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-55.7	-41.8	173	-24.6	31.4	0	0	0	112.8	L238 R267 A274 V275 F317 N320 W322	L238-P271 HydrophobicContact CD1-CB 3.95Å; L238-P271 HydrophobicContact CD2-CB 4.22Å; R267-P271 WeakPolarHBondContact O-CD 3.5Å; P271-A274 WeakPolarHBondContact O-CB 3.11Å; P271-A274 PolarHBondContact O-N 3.09Å; P271-V275 PolarHBondContact O-N 3.5Å; P271-F317 HydrophobicContact CB-CD1 4.24Å; P271-F317 HydrophobicContact CB-CD2 4.13Å; P271-F317 HydrophobicContact CB-CE1 4.05Å; P271-F317 HydrophobicContact CB-CE2 3.93Å; P271-F317 HydrophobicContact CB-CG 4.29Å; P271-F317 HydrophobicContact CB-CZ 3.89Å; P271-N320 HydrophobicContact CG-CB 4.21Å; P271-W322 VanDerWaalsContact CG-CD1 3.45Å
272	N	98.9	Very high	98.5	Very high	10 Å²	10	47 Å²	47	5%	0.053	22%	0.224	C	C	.	.	H	α-helix	trans	-62.8	-45.4	176.5	175.1	78.8	0	0	0	111.3	S219 A220 G221 L238 L268 I269 E270 A274 T276	S219-N272 VanDerWaalsContact OG-CG 3.3Å; S219-N272 PolarHBondContact OG-ND2 3.28Å; S219-N272 PolarHBondContact OG-OD1 3.07Å; A220-N272 HydrophobicContact CB-CB 4.11Å; A220-N272 WeakPolarHBondContact CB-OD1 3.37Å; A220-N272 PolarHBondContact N-OD1 2.96Å; A220-N272 VanDerWaalsContact N-OD1 3.12Å; G221-N272 WeakPolarHBondContact CA-ND2 3.4Å; G221-N272 VanDerWaalsContact N-CG 3.32Å; G221-N272 PolarHBondContact N-ND2 2.85Å; G221-N272 VanDerWaalsContact N-ND2 3.17Å; L238-N272 HydrophobicContact CD2-CB 3.85Å; L268-N272 WeakPolarHBondContact O-CB 3.4Å; L268-N272 PolarHBondContact O-N 3.5Å; I269-N272 PolarHBondContact O-N 3.34Å; E270-N272 VanDerWaalsContact C-N 3.28Å; E270-N272 PolarHBondContact O-N 3.29Å; N272-A274 VanDerWaalsContact C-N 3.29Å; N272-A274 PolarHBondContact O-N 3.27Å; N272-T276 WeakPolarHBondContact O-CB 3.07Å; N272-T276 WeakPolarHBondContact O-CG2 3.32Å; N272-T276 PolarHBondContact O-N 3.41Å; N272-T276 PolarHBondContact O-OG1 2.87Å
273	A	98.7	Very high	98.5	Very high	5 Å²	5	43.3 Å²	43.3	4%	0.041	21%	0.208	C	C	.	.	H	α-helix	trans	-62.7	-38.8	178.4	0	0	0	0	0	111.5	I269 E270 T276 R277 K278	I269-A273 WeakPolarHBondContact O-CB 3.47Å; I269-A273 PolarHBondContact O-N 3.35Å; E270-A273 PolarHBondContact O-N 3.07Å; E270-A273 VanDerWaalsContact O-N 3.08Å; A273-T276 CarbonylContact O-C 3.6Å; A273-T276 PolarHBondContact O-N 2.91Å; A273-R277 HydrophobicContact CB-CG 4.26Å; A273-R277 PolarHBondContact O-N 3.1Å; A273-K278 HydrophobicContact CB-CD 4.41Å; A273-K278 HydrophobicContact CB-CG 4.34Å; A273-K278 WeakPolarHBondContact O-CB 3.45Å; A273-K278 WeakPolarHBondContact O-CG 3.48Å; A273-K278 PolarHBondContact O-N 3.42Å
274	A	98.7	Very high	98.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.185	C	C	.	.	I	π-helix	trans	-55.8	-55.1	177.2	0	0	0	0	0	111.4	E270 P271 N272 T276 L279 L313 D316 F317	E270-A274 PolarHBondContact O-N 3.12Å; P271-A274 WeakPolarHBondContact O-CB 3.11Å; P271-A274 PolarHBondContact O-N 3.09Å; N272-A274 VanDerWaalsContact C-N 3.29Å; N272-A274 PolarHBondContact O-N 3.27Å; A274-T276 PolarHBondContact O-N 3.24Å; A274-L279 WeakPolarHBondContact O-CB 3.41Å; A274-L279 PolarHBondContact O-N 3.32Å; A274-L313 HydrophobicContact CB-CD1 3.6Å; A274-D316 HydrophobicContact CB-CB 3.97Å; A274-D316 WeakPolarHBondContact CB-OD2 3.44Å; A274-F317 HydrophobicContact CB-CE2 4.42Å
275	V	98.7	Very high	98.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.18	C	C	.	.	I	π-helix	trans	-82	5.6	-177.4	-53.8	0	0	0	0	114.5	L238 P271 L284 A287 L313 F317	L238-V275 HydrophobicContact CB-CG2 4.33Å; L238-V275 HydrophobicContact CD1-CG2 4.05Å; P271-V275 PolarHBondContact O-N 3.5Å; V275-L284 HydrophobicContact CB-CB 4.09Å; V275-L284 HydrophobicContact CB-CD1 4.03Å; V275-L284 HydrophobicContact CG1-CD1 4.39Å; V275-L284 HydrophobicContact CG2-CD1 4.19Å; V275-A287 HydrophobicContact CG1-CB 4.21Å; V275-L313 HydrophobicContact CG1-CD1 4.16Å; V275-F317 HydrophobicContact CG1-CE2 3.9Å; V275-F317 HydrophobicContact CG1-CZ 3.9Å
276	T	98.4	Very high	98.5	Very high	41 Å²	41	40.8 Å²	40.8	25%	0.252	19%	0.191	S	C	.	.	I	π-helix	trans	-127.2	-97.6	177.4	60.5	0	0	0	0	111.2	A237 N272 A273 A274 K278 G280	A237-T276 HydrophobicContact CB-CG2 3.86Å; N272-T276 WeakPolarHBondContact O-CB 3.07Å; N272-T276 WeakPolarHBondContact O-CG2 3.32Å; N272-T276 PolarHBondContact O-N 3.41Å; N272-T276 PolarHBondContact O-OG1 2.87Å; A273-T276 CarbonylContact O-C 3.6Å; A273-T276 PolarHBondContact O-N 2.91Å; A274-T276 PolarHBondContact O-N 3.24Å; T276-K278 VanDerWaalsContact C-N 3.33Å; T276-K278 PolarHBondContact O-N 3.35Å; T276-G280 WeakPolarHBondContact O-CA 3.15Å; T276-G280 PolarHBondContact O-N 3.44Å
277	R	95.9	Very high	98.5	Very high	210 Å²	210	35.4 Å²	35.4	79%	0.792	17%	0.166	S	C	*	.	I	π-helix	trans	-70.4	-21.6	-169.5	69.3	-179.6	-177.1	123.2	-0.2	115.1	A273	A273-R277 HydrophobicContact CB-CG 4.26Å; A273-R277 PolarHBondContact O-N 3.1Å
278	K	97.2	Very high	98.5	Very high	87 Å²	87	31.1 Å²	31.1	38%	0.378	15%	0.15	S	C	.	.	I	π-helix	trans	-84	-61.7	179.1	-65.2	-175.7	-176.5	177.3	0	110.8	A273 T276 D316	A273-K278 HydrophobicContact CB-CD 4.41Å; A273-K278 HydrophobicContact CB-CG 4.34Å; A273-K278 WeakPolarHBondContact O-CB 3.45Å; A273-K278 WeakPolarHBondContact O-CG 3.48Å; A273-K278 PolarHBondContact O-N 3.42Å; T276-K278 VanDerWaalsContact C-N 3.33Å; T276-K278 PolarHBondContact O-N 3.35Å; K278-D316 VanDerWaalsContact NZ-CG 3.26Å; K278-D316 IonicContact NZ-OD1 3.82Å; K278-D316 PolarHBondContact NZ-OD1 3.32Å; K278-D316 IonicContact NZ-OD2 2.94Å; K278-D316 PolarHBondContact NZ-OD2 2.83Å
279	L	97.9	Very high	98.4	Very high	22 Å²	22	35 Å²	35	12%	0.115	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-1.8	-167.9	-56.5	174.7	0	0	0	113.8	A274 A283 L305 E309 L313	A274-L279 WeakPolarHBondContact O-CB 3.41Å; A274-L279 PolarHBondContact O-N 3.32Å; L279-A283 HydrophobicContact CB-CB 3.34Å; L279-A283 HydrophobicContact CD1-CB 4.16Å; L279-A283 HydrophobicContact CG-CB 4.39Å; L279-L305 HydrophobicContact CB-CD2 4.09Å; L279-E309 HydrophobicContact CD1-CB 4.24Å; L279-E309 WeakPolarHBondContact CD1-O 3.42Å; L279-E309 HydrophobicContact CD2-CB 3.84Å; L279-E309 HydrophobicContact CD2-CG 3.65Å; L279-L313 HydrophobicContact CD1-CB 3.96Å
280	G	98	Very high	98.4	Very high	21 Å²	21	34.1 Å²	34.1	22%	0.216	16%	0.16	C	C	.	.	H	α-helix	trans	61.5	-151.2	169.3	0	0	0	0	0	116.1	T276 A283 L284	T276-G280 WeakPolarHBondContact O-CA 3.15Å; T276-G280 PolarHBondContact O-N 3.44Å; G280-A283 PolarHBondContact O-N 2.98Å; G280-L284 PolarHBondContact O-N 3.27Å
281	V	98.7	Very high	98.4	Very high	17 Å²	17	32.8 Å²	32.8	10%	0.103	15%	0.153	C	C	.	.	H	α-helix	trans	-61.2	-38.4	-176.6	-174.3	0	0	0	0	113.3	E76 A283 L284 K285 L302	E76-V281 HydrophobicContact CG-CG1 4Å; V281-A283 VanDerWaalsContact C-N 3.28Å; V281-A283 PolarHBondContact O-N 2.72Å; V281-L284 WeakPolarHBondContact O-CB 3.38Å; V281-L284 PolarHBondContact O-N 3.48Å; V281-L284 VanDerWaalsContact O-N 3.12Å; V281-K285 HydrophobicContact CG1-CD 4.27Å; V281-K285 HydrophobicContact CG1-CG 4.34Å; V281-K285 PolarHBondContact O-N 3.33Å; V281-L302 HydrophobicContact CB-CD1 4.18Å
282	P	98.7	Very high	98.4	Very high	18 Å²	18	34.6 Å²	34.6	12%	0.117	17%	0.171	C	C	.	.	H	α-helix	trans	-55.8	-42.3	173.8	-27.2	35.2	0	0	0	112.8	K285 Q286 L302 Q303 L305	P282-K285 PolarHBondContact O-N 3.03Å; P282-Q286 WeakPolarHBondContact O-CB 3.48Å; P282-Q286 PolarHBondContact O-N 2.85Å; P282-L302 HydrophobicContact CG-CB 4.48Å; P282-L302 HydrophobicContact CG-CD2 4.4Å; P282-Q303 WeakPolarHBondContact CB-O 3.4Å; P282-Q303 VanDerWaalsContact CG-O 3.26Å; P282-Q303 WeakPolarHBondContact CG-O 3.32Å; P282-L305 HydrophobicContact CB-CD2 3.82Å; P282-L305 HydrophobicContact CB-CG 4.14Å
283	A	98.8	Very high	98.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-70.5	-36.9	175.1	0	0	0	0	0	113.8	L279 G280 V281 K285 Q286 A287 L305 L313	L279-A283 HydrophobicContact CB-CB 3.34Å; L279-A283 HydrophobicContact CD1-CB 4.16Å; L279-A283 HydrophobicContact CG-CB 4.39Å; G280-A283 PolarHBondContact O-N 2.98Å; V281-A283 VanDerWaalsContact C-N 3.28Å; V281-A283 PolarHBondContact O-N 2.72Å; A283-K285 VanDerWaalsContact C-N 3.34Å; A283-Q286 PolarHBondContact O-N 3.41Å; A283-A287 WeakPolarHBondContact O-CB 3.29Å; A283-A287 PolarHBondContact O-N 3.45Å; A283-L305 HydrophobicContact CB-CD1 4.07Å; A283-L305 HydrophobicContact CB-CD2 4.33Å; A283-L313 HydrophobicContact CB-CD1 3.95Å; A283-L313 HydrophobicContact CB-CD2 3.86Å; A283-L313 HydrophobicContact CB-CG 4.43Å; A283-L313 WeakPolarHBondContact O-CD2 3.16Å
284	L	98.9	Very high	98.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-57.7	-49.9	172.7	-178.6	62.4	0	0	0	110.9	N74 A237 N240 V275 G280 V281 A287 M288	N74-L284 HydrophobicContact CB-CD2 3.99Å; A237-L284 HydrophobicContact CB-CD2 4.35Å; A237-L284 WeakPolarHBondContact O-CD1 3.42Å; N240-L284 HydrophobicContact CB-CD1 4.09Å; V275-L284 HydrophobicContact CB-CB 4.09Å; V275-L284 HydrophobicContact CB-CD1 4.03Å; V275-L284 HydrophobicContact CG1-CD1 4.39Å; V275-L284 HydrophobicContact CG2-CD1 4.19Å; G280-L284 PolarHBondContact O-N 3.27Å; V281-L284 WeakPolarHBondContact O-CB 3.38Å; V281-L284 PolarHBondContact O-N 3.48Å; V281-L284 VanDerWaalsContact O-N 3.12Å; L284-A287 PolarHBondContact O-N 2.96Å; L284-M288 HydrophobicContact CG-SD 4.32Å; L284-M288 VanDerWaalsContact O-CG 3.29Å; L284-M288 WeakPolarHBondContact O-CG 3.26Å; L284-M288 PolarHBondContact O-N 3.24Å
285	K	98.8	Very high	98.1	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	18%	0.183	C	C	.	.	H	α-helix	trans	-65.2	-38.8	179.1	-75.8	-176.9	157.5	-177.3	0	112.2	A39 T40 E76 V281 P282 A283 M288 E289 G295 G296 A297	A39-K285 HydrophobicContact CB-CG 4.3Å; T40-K285 WeakPolarHBondContact O-CE 3.28Å; T40-K285 PolarHBondContact O-NZ 2.86Å; E76-K285 WeakPolarHBondContact OE1-CE 3.26Å; E76-K285 IonicContact OE1-NZ 3.55Å; E76-K285 PolarHBondContact OE1-NZ 3.38Å; V281-K285 HydrophobicContact CG1-CD 4.27Å; V281-K285 HydrophobicContact CG1-CG 4.34Å; V281-K285 PolarHBondContact O-N 3.33Å; P282-K285 PolarHBondContact O-N 3.03Å; A283-K285 VanDerWaalsContact C-N 3.34Å; K285-M288 WeakPolarHBondContact O-CB 3.44Å; K285-M288 PolarHBondContact O-N 2.88Å; K285-E289 PolarHBondContact O-N 3.26Å; K285-G295 WeakPolarHBondContact CD-O 3.46Å; K285-G295 WeakPolarHBondContact CE-O 3.4Å; K285-G295 WeakPolarHBondContact CG-O 3.35Å; K285-G296 WeakPolarHBondContact CB-O 3.18Å; K285-A297 PolarHBondContact NZ-O 2.74Å
286	Q	98.7	Very high	97.7	Very high	62 Å²	62	39.4 Å²	39.4	29%	0.29	20%	0.202	S	C	.	.	H	α-helix	trans	-64.9	-40.9	174.3	-176.9	57.3	77.9	0	0	112.5	P282 A283 M288 E289 W290 L305 L313	P282-Q286 WeakPolarHBondContact O-CB 3.48Å; P282-Q286 PolarHBondContact O-N 2.85Å; A283-Q286 PolarHBondContact O-N 3.41Å; Q286-M288 VanDerWaalsContact C-N 3.33Å; Q286-E289 PolarHBondContact O-N 3.11Å; Q286-W290 HydrophobicContact CG-CH2 4.22Å; Q286-W290 HydrophobicContact CG-CZ2 3.67Å; Q286-W290 PolarHBondContact O-N 3.43Å; Q286-L305 HydrophobicContact CB-CD1 4.14Å; Q286-L305 HydrophobicContact CG-CD1 4.33Å; Q286-L313 HydrophobicContact CB-CD2 3.9Å; Q286-L313 HydrophobicContact CG-CD2 3.95Å
287	A	98.7	Very high	97.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.3	-39.4	174.4	0	0	0	0	0	111.1	V241 V275 A283 L284 E289 W290 F291 F317	V241-A287 HydrophobicContact CG1-CB 4.2Å; V275-A287 HydrophobicContact CG1-CB 4.21Å; A283-A287 WeakPolarHBondContact O-CB 3.29Å; A283-A287 PolarHBondContact O-N 3.45Å; L284-A287 PolarHBondContact O-N 2.96Å; A287-E289 VanDerWaalsContact C-N 3.3Å; A287-E289 PolarHBondContact O-N 3.23Å; A287-W290 PolarHBondContact O-N 2.74Å; A287-W290 VanDerWaalsContact O-N 3.12Å; A287-F291 VanDerWaalsContact O-CD2 3.26Å; A287-F291 WeakPolarHBondContact O-CD2 3.48Å; A287-F291 PolarHBondContact O-N 2.98Å; A287-F317 HydrophobicContact CB-CE2 4.31Å; A287-F317 HydrophobicContact CB-CZ 3.95Å
288	M	98.8	Very high	97.7	Very high	1 Å²	1	31 Å²	31	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-53.7	-46.7	174.4	-74.8	170.4	71.3	0	0	111.7	A39 N240 V241 L284 K285 Q286 W290 F291 G292 Y293 H294	A39-M288 HydrophobicContact CB-CE 4.29Å; A39-M288 HydrophobicContact CB-SD 3.92Å; N240-M288 HydrophobicContact CB-CG 4.36Å; N240-M288 HydrophobicContact CB-SD 4.31Å; V241-M288 HydrophobicContact CG1-CB 4.26Å; V241-M288 HydrophobicContact CG1-CG 3.69Å; L284-M288 HydrophobicContact CG-SD 4.32Å; L284-M288 VanDerWaalsContact O-CG 3.29Å; L284-M288 WeakPolarHBondContact O-CG 3.26Å; L284-M288 PolarHBondContact O-N 3.24Å; K285-M288 WeakPolarHBondContact O-CB 3.44Å; K285-M288 PolarHBondContact O-N 2.88Å; Q286-M288 VanDerWaalsContact C-N 3.33Å; M288-W290 PolarHBondContact O-N 2.9Å; M288-F291 CarbonylContact O-C 3.22Å; M288-F291 PolarHBondContact O-N 2.76Å; M288-G292 PolarHBondContact O-N 3.29Å; M288-G292 VanDerWaalsContact O-N 3.16Å; M288-Y293 CarbonylContact C-O 3.53Å; M288-Y293 CarbonylContact O-C 3.49Å; M288-Y293 WeakPolarHBondContact O-CA 3.37Å; M288-Y293 WeakPolarHBondContact O-CB 3.45Å; M288-Y293 PolarHBondContact O-N 3.37Å; M288-H294 VanDerWaalsContact CE-O 3.32Å; M288-H294 WeakPolarHBondContact CE-O 3.4Å
289	E	98.4	Very high	97.7	Very high	80 Å²	80	28 Å²	28	37%	0.374	17%	0.167	S	C	.	.	H	α-helix	trans	-59.1	-42.2	176.8	-63.8	-63	145.3	0	0	112.7	K285 Q286 A287 F291 G292 Y293 G295 G296	K285-E289 PolarHBondContact O-N 3.26Å; Q286-E289 PolarHBondContact O-N 3.11Å; A287-E289 VanDerWaalsContact C-N 3.3Å; A287-E289 PolarHBondContact O-N 3.23Å; E289-F291 VanDerWaalsContact C-N 3.29Å; E289-F291 PolarHBondContact O-N 3.47Å; E289-G292 PolarHBondContact O-N 3.44Å; E289-G292 VanDerWaalsContact O-N 3.15Å; E289-Y293 WeakPolarHBondContact CA-O 3.42Å; E289-G295 PolarHBondContact OE1-N 3.33Å; E289-G296 PolarHBondContact OE1-N 3.46Å
290	W	98.4	Very high	97.7	Very high	58 Å²	58	30 Å²	30	22%	0.22	18%	0.183	C	C	.	.	H	α-helix	trans	-67.1	-30.4	178.8	-62.3	-18.4	0	0	0	113.3	Q286 A287 M288 G292 T310 L313 R314 L323	Q286-W290 HydrophobicContact CG-CH2 4.22Å; Q286-W290 HydrophobicContact CG-CZ2 3.67Å; Q286-W290 PolarHBondContact O-N 3.43Å; A287-W290 PolarHBondContact O-N 2.74Å; A287-W290 VanDerWaalsContact O-N 3.12Å; M288-W290 PolarHBondContact O-N 2.9Å; W290-G292 VanDerWaalsContact C-N 3.25Å; W290-T310 HydrophobicContact CH2-CG2 4.22Å; W290-T310 HydrophobicContact CZ2-CG2 3.76Å; W290-L313 HydrophobicContact CH2-CB 4.08Å; W290-L313 HydrophobicContact CH2-CD2 3.73Å; W290-L313 HydrophobicContact CH2-CG 3.8Å; W290-L313 HydrophobicContact CZ3-CB 4.31Å; W290-L313 HydrophobicContact CZ3-CD2 3.8Å; W290-L313 HydrophobicContact CZ3-CG 3.65Å; W290-R314 HydrophobicContact CH2-CB 3.75Å; W290-R314 HydrophobicContact CZ3-CB 3.98Å; W290-L323 HydrophobicContact CB-CD1 4.48Å; W290-L323 HydrophobicContact CD2-CD2 4.2Å; W290-L323 HydrophobicContact CE3-CD2 3.61Å; W290-L323 HydrophobicContact CZ3-CD2 4.03Å
291	F	98.5	Very high	97.7	Very high	56 Å²	56	33 Å²	33	25%	0.246	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	10.7	177.1	-76.6	-106.1	0	0	0	112.3	V241 L242 A287 M288 E289 Y293 F317 W322	V241-F291 HydrophobicContact CB-CB 4.28Å; V241-F291 HydrophobicContact CB-CD1 4.35Å; V241-F291 HydrophobicContact CB-CD2 4.28Å; V241-F291 HydrophobicContact CB-CG 4.04Å; V241-F291 HydrophobicContact CG1-CB 4.27Å; V241-F291 HydrophobicContact CG1-CG 4.41Å; L242-F291 HydrophobicContact CD2-CD1 4.36Å; L242-F291 HydrophobicContact CD2-CE1 3.51Å; L242-F291 HydrophobicContact CD2-CZ 3.96Å; A287-F291 VanDerWaalsContact O-CD2 3.26Å; A287-F291 WeakPolarHBondContact O-CD2 3.48Å; A287-F291 PolarHBondContact O-N 2.98Å; M288-F291 CarbonylContact O-C 3.22Å; M288-F291 PolarHBondContact O-N 2.76Å; E289-F291 VanDerWaalsContact C-N 3.29Å; E289-F291 PolarHBondContact O-N 3.47Å; F291-Y293 VanDerWaalsContact C-N 3.3Å; F291-Y293 HydrophobicContact CB-CD2 3.88Å; F291-Y293 HydrophobicContact CB-CE2 4.1Å; F291-Y293 WeakPolarHBondContact O-CD2 3.44Å; F291-Y293 PolarHBondContact O-N 3.33Å; F291-F317 AromaticContact CE2-CD1 3.72Å; F291-F317 HydrophobicContact CE2-CD1 3.72Å; F291-F317 AromaticContact CE2-CE1 3.84Å; F291-F317 HydrophobicContact CE2-CE1 3.84Å; F291-F317 AromaticContact CZ-CD1 3.79Å; F291-F317 HydrophobicContact CZ-CD1 3.79Å; F291-F317 HydrophobicContact CZ-CE1 4.01Å; F291-W322 HydrophobicContact CZ-CB 4.26Å; F291-W322 WeakPolarHBondContact CZ-O 3.35Å
292	G	97.9	Very high	97.6	Very high	38 Å²	38	34.8 Å²	34.8	39%	0.392	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	8.9	175.6	0	0	0	0	0	114.7	K59 M288 E289 W290	K59-G292 PolarHBondContact NZ-O 2.67Å; M288-G292 PolarHBondContact O-N 3.29Å; M288-G292 VanDerWaalsContact O-N 3.16Å; E289-G292 PolarHBondContact O-N 3.44Å; E289-G292 VanDerWaalsContact O-N 3.15Å; W290-G292 VanDerWaalsContact C-N 3.25Å
293	Y	98.5	Very high	97.6	Very high	27 Å²	27	39.9 Å²	39.9	11%	0.106	23%	0.23	C	C	.	.	S	Bend	trans	-85.1	169.8	168.3	-61.6	-91.8	0	0	0	110.3	K59 Y60 M288 E289 F291	K59-Y293 HydrophobicContact CB-CD1 4.18Å; K59-Y293 HydrophobicContact CB-CE1 3.55Å; K59-Y293 HydrophobicContact CD-CD1 3.84Å; K59-Y293 HydrophobicContact CD-CE1 3.85Å; K59-Y293 HydrophobicContact CG-CE1 4.35Å; Y60-Y293 AromaticContact CD1-CE1 3.88Å; Y60-Y293 HydrophobicContact CD1-CE1 3.88Å; Y60-Y293 AromaticContact CE1-CD1 3.89Å; Y60-Y293 HydrophobicContact CE1-CD1 3.89Å; Y60-Y293 AromaticContact CE1-CE1 3.41Å; Y60-Y293 HydrophobicContact CE1-CE1 3.41Å; Y60-Y293 VanDerWaalsContact CE1-CE1 3.41Å; M288-Y293 CarbonylContact C-O 3.53Å; M288-Y293 CarbonylContact O-C 3.49Å; M288-Y293 WeakPolarHBondContact O-CA 3.37Å; M288-Y293 WeakPolarHBondContact O-CB 3.45Å; M288-Y293 PolarHBondContact O-N 3.37Å; E289-Y293 WeakPolarHBondContact CA-O 3.42Å; F291-Y293 VanDerWaalsContact C-N 3.3Å; F291-Y293 HydrophobicContact CB-CD2 3.88Å; F291-Y293 HydrophobicContact CB-CE2 4.1Å; F291-Y293 WeakPolarHBondContact O-CD2 3.44Å; F291-Y293 PolarHBondContact O-N 3.33Å
294	H	97.8	Very high	97.5	Very high	49 Å²	49	44.6 Å²	44.6	23%	0.227	26%	0.26	C	S	.	.			trans	-99.2	99.1	174.4	-68.4	-59	0	0	0	110.6	K52 E55 N56 M288	K52-H294 HydrophobicContact CB-CB 3.95Å; K52-H294 HydrophobicContact CD-CB 4.29Å; K52-H294 HydrophobicContact CG-CB 4.37Å; K52-H294 PolarHBondContact NZ-CE1 2.82Å; K52-H294 PolarHBondContact NZ-NE2 3.28Å; E55-H294 IonicContact OE2-CD2 3.56Å; E55-H294 PolarHBondContact OE2-CD2 3.1Å; E55-H294 VanDerWaalsContact OE2-CD2 3.31Å; E55-H294 IonicContact OE2-NE2 2.61Å; E55-H294 PolarHBondContact OE2-NE2 3.42Å; E55-H294 VanDerWaalsContact OE2-NE2 3.1Å; N56-H294 PolarHBondContact ND2-O 3.5Å; N56-H294 PolarHBondContact OD1-N 3.23Å; M288-H294 VanDerWaalsContact CE-O 3.32Å; M288-H294 WeakPolarHBondContact CE-O 3.4Å
295	G	93.9	Very high	97.4	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.267	C	S	.	.			trans	-86.3	-49.3	171	0	0	0	0	0	111.5	K285 E289	K285-G295 WeakPolarHBondContact CD-O 3.46Å; K285-G295 WeakPolarHBondContact CE-O 3.4Å; K285-G295 WeakPolarHBondContact CG-O 3.35Å; E289-G295 PolarHBondContact OE1-N 3.33Å
296	G	91.6	Very high	97.4	Very high	40 Å²	40	49.6 Å²	49.6	41%	0.412	29%	0.29	S	S	.	.			trans	63.6	-166.4	-174.6	0	0	0	0	0	114	K285 E289	K285-G296 WeakPolarHBondContact CB-O 3.18Å; E289-G296 PolarHBondContact OE1-N 3.46Å
297	A	94.9	Very high	97.4	Very high	58 Å²	58	53.9 Å²	53.9	48%	0.479	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-74.8	154.6	172.4	0	0	0	0	0	111.1	K285	K285-A297 PolarHBondContact NZ-O 2.74Å
298	C	98.3	Very high	97.4	Very high	16 Å²	16	57.1 Å²	57.1	11%	0.108	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-73.4	160	161.7	-62.7	0	0	0	0	109.7	E76 L302	E76-C298 WeakPolarHBondContact OE2-CA 3.41Å; E76-C298 VanDerWaalsContact OE2-CB 3.29Å; E76-C298 WeakPolarHBondContact OE2-CB 3.36Å; C298-L302 HydrophobicContact CB-CB 3.49Å; C298-L302 VanDerWaalsContact CB-CB 3.49Å; C298-L302 HydrophobicContact CB-CD1 4.09Å; C298-L302 HydrophobicContact CB-CG 4.46Å
299	R	98.2	Very high	97.4	Very high	23 Å²	23	60.5 Å²	60.5	9%	0.087	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-78.8	141.4	167.9	-172.4	175.7	-76.1	178.5	-4.9	108.8	F42 E46 E76 Y79 E84 L302	F42-R299 HydrophobicContact CD2-CB 3.99Å; F42-R299 HydrophobicContact CE1-CB 4.44Å; F42-R299 VanDerWaalsContact CE1-CZ 3.42Å; F42-R299 VanDerWaalsContact CE1-NH2 3.31Å; F42-R299 HydrophobicContact CE2-CB 3.71Å; F42-R299 HydrophobicContact CG-CB 4.49Å; F42-R299 HydrophobicContact CZ-CB 3.95Å; E46-R299 HydrophobicContact CB-CG 4.17Å; E46-R299 HydrophobicContact CG-CG 4.45Å; E46-R299 VanDerWaalsContact O-CZ 3.24Å; E46-R299 PolarHBondContact O-NE 2.87Å; E46-R299 PolarHBondContact O-NH2 3.41Å; E76-R299 PolarHBondContact OE2-N 2.94Å; Y79-R299 HydrophobicContact CD2-CB 4.37Å; Y79-R299 VanDerWaalsContact O-CD 3.27Å; Y79-R299 WeakPolarHBondContact O-CD 3.48Å; Y79-R299 PolarHBondContact O-NH1 3.47Å; E84-R299 IonicContact OE1-CZ 3.58Å; E84-R299 IonicContact OE1-NH1 3.47Å; E84-R299 PolarHBondContact OE1-NH1 3.28Å; E84-R299 IonicContact OE1-NH2 3.43Å; E84-R299 PolarHBondContact OE1-NH2 2.8Å; E84-R299 IonicContact OE2-CZ 2.65Å; E84-R299 IonicContact OE2-NH1 3.7Å; E84-R299 PolarHBondContact OE2-NH1 2.82Å; E84-R299 IonicContact OE2-NH2 3Å; R299-L302 PolarHBondContact O-N 3.01Å
300	S	96.5	Very high	97.4	Very high	66 Å²	66	58.4 Å²	58.4	46%	0.462	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	139.9	174.6	-178.1	0	0	0	0	111.1	E46	E46-S300 VanDerWaalsContact OE1-CB 3.27Å; E46-S300 WeakPolarHBondContact OE1-CB 3.48Å; E46-S300 PolarHBondContact OE1-N 3.29Å
301	P	97.8	Very high	97.4	Very high	82 Å²	82	61.2 Å²	61.2	53%	0.532	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	cis	-88.8	-1	15.8	34.9	-39.4	0	0	0	117.1	Y79 Q303	Y79-P301 HydrophobicContact CE1-CG 4.17Å; P301-Q303 PolarHBondContact O-N 3.49Å; P301-Q303 PolarHBondContact O-NE2 3.47Å; P301-Q303 VanDerWaalsContact O-NE2 3.08Å
302	L	98.1	Very high	97.4	Very high	55 Å²	55	61.6 Å²	61.6	29%	0.288	37%	0.365	S	S	.	.	S	Bend	trans	-64	129.7	176.4	-78.5	174.5	0	0	0	110.2	E76 Y79 V281 P282 C298 R299	E76-L302 HydrophobicContact CG-CD1 4.24Å; Y79-L302 HydrophobicContact CE2-CB 4.33Å; Y79-L302 HydrophobicContact CE2-CD1 3.76Å; Y79-L302 HydrophobicContact CE2-CG 3.75Å; V281-L302 HydrophobicContact CB-CD1 4.18Å; P282-L302 HydrophobicContact CG-CB 4.48Å; P282-L302 HydrophobicContact CG-CD2 4.4Å; C298-L302 HydrophobicContact CB-CB 3.49Å; C298-L302 VanDerWaalsContact CB-CB 3.49Å; C298-L302 HydrophobicContact CB-CD1 4.09Å; C298-L302 HydrophobicContact CB-CG 4.46Å; R299-L302 PolarHBondContact O-N 3.01Å
303	Q	97.4	Very high	97.4	Very high	126 Å²	126	59.8 Å²	59.8	59%	0.589	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-95.5	154.9	-178.4	-62.5	-56.7	-62.4	0	0	111.2	P282 P301	P282-Q303 WeakPolarHBondContact CB-O 3.4Å; P282-Q303 VanDerWaalsContact CG-O 3.26Å; P282-Q303 WeakPolarHBondContact CG-O 3.32Å; P301-Q303 PolarHBondContact O-N 3.49Å; P301-Q303 PolarHBondContact O-NE2 3.47Å; P301-Q303 VanDerWaalsContact O-NE2 3.08Å
304	P	96.6	Very high	97.4	Very high	98 Å²	98	64.1 Å²	64.1	64%	0.636	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-55.8	156.1	164.3	-21.8	33.5	0	0	0	111.6
305	L	98.1	Very high	97.4	Very high	30 Å²	30	67 Å²	67	16%	0.157	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-63.5	143.8	171.8	-63.1	-175.9	0	0	0	110.8	L279 P282 A283 Q286 E309 T310 L313	L279-L305 HydrophobicContact CB-CD2 4.09Å; P282-L305 HydrophobicContact CB-CD2 3.82Å; P282-L305 HydrophobicContact CB-CG 4.14Å; A283-L305 HydrophobicContact CB-CD1 4.07Å; A283-L305 HydrophobicContact CB-CD2 4.33Å; Q286-L305 HydrophobicContact CB-CD1 4.14Å; Q286-L305 HydrophobicContact CG-CD1 4.33Å; L305-E309 HydrophobicContact CB-CB 4.11Å; L305-E309 HydrophobicContact CD2-CB 4.1Å; L305-T310 WeakPolarHBondContact CB-OG1 3.47Å; L305-L313 HydrophobicContact CD1-CD2 3.83Å
306	T	98.4	Very high	97.6	Very high	77 Å²	77	67.4 Å²	67.4	47%	0.472	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-67.4	165.7	162.6	62.9	0	0	0	0	110.8	A308 E309 T310	T306-A308 VanDerWaalsContact C-N 3.31Å; T306-A308 PolarHBondContact O-N 2.92Å; T306-E309 WeakPolarHBondContact CB-OE2 3.46Å; T306-E309 WeakPolarHBondContact CG2-OE2 3.25Å; T306-E309 PolarHBondContact N-OE2 2.95Å; T306-E309 PolarHBondContact O-N 3.5Å; T306-E309 WeakPolarHBondContact OG1-CB 3.3Å; T306-E309 VanDerWaalsContact OG1-CD 3.27Å; T306-E309 WeakPolarHBondContact OG1-CG 3.25Å; T306-E309 PolarHBondContact OG1-N 3.16Å; T306-E309 PolarHBondContact OG1-OE2 2.97Å; T306-T310 WeakPolarHBondContact O-CB 3.25Å; T306-T310 PolarHBondContact O-N 3.34Å; T306-T310 PolarHBondContact O-OG1 3.4Å
307	E	98.3	Very high	98	Very high	151 Å²	151	65.5 Å²	65.5	71%	0.706	36%	0.358	S	S	*	.	H	α-helix	trans	-60.1	-41.6	175.8	-173.2	175.6	-178.2	0	0	112	E309 T310 Q311	E307-E309 PolarHBondContact O-N 3.32Å; E307-T310 WeakPolarHBondContact O-CB 3.43Å; E307-T310 PolarHBondContact O-N 2.61Å; E307-Q311 WeakPolarHBondContact O-CG 3.46Å; E307-Q311 PolarHBondContact O-N 3.25Å
308	A	98.4	Very high	98.1	Very high	68 Å²	68	65.1 Å²	65.1	56%	0.562	35%	0.352	S	S	*	.	H	α-helix	trans	-63.5	-42.4	177.8	0	0	0	0	0	112.1	T306 T310 Q311 L312	T306-A308 VanDerWaalsContact C-N 3.31Å; T306-A308 PolarHBondContact O-N 2.92Å; A308-T310 VanDerWaalsContact C-N 3.33Å; A308-Q311 PolarHBondContact O-N 3.15Å; A308-L312 PolarHBondContact O-N 3.36Å
309	E	98.6	Very high	98.1	Very high	73 Å²	73	68.5 Å²	68.5	34%	0.341	37%	0.372	S	S	.	.	H	α-helix	trans	-67.2	-36.1	175.7	-69.6	166.4	139.1	0	0	111.9	L279 L305 T306 E307 L312 L313	L279-E309 HydrophobicContact CD1-CB 4.24Å; L279-E309 WeakPolarHBondContact CD1-O 3.42Å; L279-E309 HydrophobicContact CD2-CB 3.84Å; L279-E309 HydrophobicContact CD2-CG 3.65Å; L305-E309 HydrophobicContact CB-CB 4.11Å; L305-E309 HydrophobicContact CD2-CB 4.1Å; T306-E309 WeakPolarHBondContact CB-OE2 3.46Å; T306-E309 WeakPolarHBondContact CG2-OE2 3.25Å; T306-E309 PolarHBondContact N-OE2 2.95Å; T306-E309 PolarHBondContact O-N 3.5Å; T306-E309 WeakPolarHBondContact OG1-CB 3.3Å; T306-E309 VanDerWaalsContact OG1-CD 3.27Å; T306-E309 WeakPolarHBondContact OG1-CG 3.25Å; T306-E309 PolarHBondContact OG1-N 3.16Å; T306-E309 PolarHBondContact OG1-OE2 2.97Å; E307-E309 PolarHBondContact O-N 3.32Å; E309-L312 PolarHBondContact O-N 2.94Å; E309-L313 WeakPolarHBondContact O-CB 3.34Å; E309-L313 PolarHBondContact O-N 3.41Å
310	T	98.5	Very high	98.1	Very high	35 Å²	35	68.6 Å²	68.6	22%	0.215	37%	0.374	C	S	.	.	H	α-helix	trans	-64.1	-42	174.8	-59.5	0	0	0	0	111.3	W290 L305 T306 E307 A308 L313 R314	W290-T310 HydrophobicContact CH2-CG2 4.22Å; W290-T310 HydrophobicContact CZ2-CG2 3.76Å; L305-T310 WeakPolarHBondContact CB-OG1 3.47Å; T306-T310 WeakPolarHBondContact O-CB 3.25Å; T306-T310 PolarHBondContact O-N 3.34Å; T306-T310 PolarHBondContact O-OG1 3.4Å; E307-T310 WeakPolarHBondContact O-CB 3.43Å; E307-T310 PolarHBondContact O-N 2.61Å; A308-T310 VanDerWaalsContact C-N 3.33Å; T310-L313 PolarHBondContact O-N 2.94Å; T310-R314 WeakPolarHBondContact O-CB 3.24Å; T310-R314 PolarHBondContact O-N 2.6Å
311	Q	98.4	Very high	98.2	Very high	118 Å²	118	67.8 Å²	67.8	55%	0.551	38%	0.376	S	S	*	.	H	α-helix	trans	-64.3	-43	174.5	-70.9	174.5	9.9	0	0	111.6	E307 A308 R314 Q315	E307-Q311 WeakPolarHBondContact O-CG 3.46Å; E307-Q311 PolarHBondContact O-N 3.25Å; A308-Q311 PolarHBondContact O-N 3.15Å; Q311-R314 PolarHBondContact O-N 3.15Å; Q311-Q315 WeakPolarHBondContact O-CB 3.33Å; Q311-Q315 PolarHBondContact O-N 2.92Å
312	L	98.2	Very high	98.2	Very high	64 Å²	64	65.6 Å²	65.6	34%	0.335	36%	0.358	S	S	.	.	H	α-helix	trans	-60.7	-45.5	175.3	179	63.4	0	0	0	111.8	A308 E309 R314 Q315 D316	A308-L312 PolarHBondContact O-N 3.36Å; E309-L312 PolarHBondContact O-N 2.94Å; L312-R314 VanDerWaalsContact C-N 3.35Å; L312-R314 PolarHBondContact O-N 2.98Å; L312-Q315 WeakPolarHBondContact O-CB 3.37Å; L312-Q315 PolarHBondContact O-N 3.44Å; L312-D316 PolarHBondContact O-N 2.98Å
313	L	98.7	Very high	98	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-58.5	-47.1	175.8	178.1	62.5	0	0	0	111.1	A274 V275 L279 A283 Q286 W290 L305 E309 T310 Q315 D316 F317	A274-L313 HydrophobicContact CB-CD1 3.6Å; V275-L313 HydrophobicContact CG1-CD1 4.16Å; L279-L313 HydrophobicContact CD1-CB 3.96Å; A283-L313 HydrophobicContact CB-CD1 3.95Å; A283-L313 HydrophobicContact CB-CD2 3.86Å; A283-L313 HydrophobicContact CB-CG 4.43Å; A283-L313 WeakPolarHBondContact O-CD2 3.16Å; Q286-L313 HydrophobicContact CB-CD2 3.9Å; Q286-L313 HydrophobicContact CG-CD2 3.95Å; W290-L313 HydrophobicContact CH2-CB 4.08Å; W290-L313 HydrophobicContact CH2-CD2 3.73Å; W290-L313 HydrophobicContact CH2-CG 3.8Å; W290-L313 HydrophobicContact CZ3-CB 4.31Å; W290-L313 HydrophobicContact CZ3-CD2 3.8Å; W290-L313 HydrophobicContact CZ3-CG 3.65Å; L305-L313 HydrophobicContact CD1-CD2 3.83Å; E309-L313 WeakPolarHBondContact O-CB 3.34Å; E309-L313 PolarHBondContact O-N 3.41Å; T310-L313 PolarHBondContact O-N 2.94Å; L313-Q315 VanDerWaalsContact C-N 3.32Å; L313-Q315 PolarHBondContact O-N 3.47Å; L313-D316 PolarHBondContact O-N 3.3Å; L313-F317 HydrophobicContact CD1-CD2 3.92Å; L313-F317 HydrophobicContact CD1-CE2 3.59Å; L313-F317 WeakPolarHBondContact O-CD2 3.47Å; L313-F317 PolarHBondContact O-N 2.87Å
314	R	98.6	Very high	98.1	Very high	117 Å²	117	64.6 Å²	64.6	44%	0.442	36%	0.357	S	S	.	.	H	α-helix	trans	-61.7	-41.4	177.5	-179.1	171.6	-70.3	-97.4	-2.5	111.5	W290 T310 Q311 L312 F317 S318 L323	W290-R314 HydrophobicContact CH2-CB 3.75Å; W290-R314 HydrophobicContact CZ3-CB 3.98Å; T310-R314 WeakPolarHBondContact O-CB 3.24Å; T310-R314 PolarHBondContact O-N 2.6Å; Q311-R314 PolarHBondContact O-N 3.15Å; L312-R314 VanDerWaalsContact C-N 3.35Å; L312-R314 PolarHBondContact O-N 2.98Å; R314-F317 PolarHBondContact O-N 2.96Å; R314-S318 WeakPolarHBondContact O-CB 3.47Å; R314-S318 PolarHBondContact O-N 3.11Å; R314-S318 PolarHBondContact O-OG 3.16Å; R314-L323 HydrophobicContact CG-CD2 3.97Å
315	Q	98.5	Very high	98.2	Very high	110 Å²	110	62.8 Å²	62.8	51%	0.514	34%	0.342	S	S	.	.	H	α-helix	trans	-59.8	-53.3	176.7	-173.7	177.4	11	0	0	111.1	Q311 L312 L313 F317 S318 T319	Q311-Q315 WeakPolarHBondContact O-CB 3.33Å; Q311-Q315 PolarHBondContact O-N 2.92Å; L312-Q315 WeakPolarHBondContact O-CB 3.37Å; L312-Q315 PolarHBondContact O-N 3.44Å; L313-Q315 VanDerWaalsContact C-N 3.32Å; L313-Q315 PolarHBondContact O-N 3.47Å; Q315-F317 PolarHBondContact O-N 2.88Å; Q315-F317 VanDerWaalsContact O-N 3.16Å; Q315-S318 PolarHBondContact O-N 2.94Å; Q315-S318 VanDerWaalsContact O-N 3.11Å; Q315-S318 PolarHBondContact O-OG 3.44Å; Q315-T319 HydrophobicContact CG-CG2 3.88Å; Q315-T319 WeakPolarHBondContact O-CG2 3.19Å; Q315-T319 PolarHBondContact O-N 3.39Å; Q315-T319 PolarHBondContact O-OG1 3.02Å
316	D	98.6	Very high	98.2	Very high	8 Å²	8	64.7 Å²	64.7	4%	0.043	35%	0.352	C	S	.	.	H	α-helix	trans	-55.9	-34.3	-178.6	-79.2	-19.7	0	0	0	112.4	E270 A274 K278 L312 L313 N320	E270-D316 HydrophobicContact CB-CB 4.34Å; A274-D316 HydrophobicContact CB-CB 3.97Å; A274-D316 WeakPolarHBondContact CB-OD2 3.44Å; K278-D316 VanDerWaalsContact NZ-CG 3.26Å; K278-D316 IonicContact NZ-OD1 3.82Å; K278-D316 PolarHBondContact NZ-OD1 3.32Å; K278-D316 IonicContact NZ-OD2 2.94Å; K278-D316 PolarHBondContact NZ-OD2 2.83Å; L312-D316 PolarHBondContact O-N 2.98Å; L313-D316 PolarHBondContact O-N 3.3Å; D316-N320 PolarHBondContact O-ND2 3.28Å
317	F	98.7	Very high	98.1	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-77.8	-46	174.4	-83.2	-105.1	0	0	0	113.2	L238 V241 L242 P271 A274 V275 A287 F291 L313 R314 Q315 N320 G321 W322 L323	L238-F317 HydrophobicContact CD1-CE1 4.21Å; L238-F317 HydrophobicContact CD1-CZ 3.88Å; V241-F317 HydrophobicContact CG2-CE1 4.1Å; V241-F317 HydrophobicContact CG2-CZ 4.21Å; L242-F317 HydrophobicContact CD1-CE1 4.33Å; P271-F317 HydrophobicContact CB-CD1 4.24Å; P271-F317 HydrophobicContact CB-CD2 4.13Å; P271-F317 HydrophobicContact CB-CE1 4.05Å; P271-F317 HydrophobicContact CB-CE2 3.93Å; P271-F317 HydrophobicContact CB-CG 4.29Å; P271-F317 HydrophobicContact CB-CZ 3.89Å; A274-F317 HydrophobicContact CB-CE2 4.42Å; V275-F317 HydrophobicContact CG1-CE2 3.9Å; V275-F317 HydrophobicContact CG1-CZ 3.9Å; A287-F317 HydrophobicContact CB-CE2 4.31Å; A287-F317 HydrophobicContact CB-CZ 3.95Å; F291-F317 AromaticContact CE2-CD1 3.72Å; F291-F317 HydrophobicContact CE2-CD1 3.72Å; F291-F317 AromaticContact CE2-CE1 3.84Å; F291-F317 HydrophobicContact CE2-CE1 3.84Å; F291-F317 AromaticContact CZ-CD1 3.79Å; F291-F317 HydrophobicContact CZ-CD1 3.79Å; F291-F317 HydrophobicContact CZ-CE1 4.01Å; L313-F317 HydrophobicContact CD1-CD2 3.92Å; L313-F317 HydrophobicContact CD1-CE2 3.59Å; L313-F317 WeakPolarHBondContact O-CD2 3.47Å; L313-F317 PolarHBondContact O-N 2.87Å; R314-F317 PolarHBondContact O-N 2.96Å; Q315-F317 PolarHBondContact O-N 2.88Å; Q315-F317 VanDerWaalsContact O-N 3.16Å; F317-N320 PolarHBondContact O-N 2.87Å; F317-G321 PolarHBondContact O-N 2.98Å; F317-W322 HydrophobicContact CB-CB 4.46Å; F317-W322 HydrophobicContact CD1-CB 3.96Å; F317-W322 PolarHBondContact O-N 3.22Å; F317-L323 HydrophobicContact CB-CB 3.99Å
318	S	98.3	Very high	98.1	Very high	50 Å²	50	58.5 Å²	58.5	35%	0.35	32%	0.323	S	S	.	.	H	α-helix	trans	-71.5	-40.1	-173.5	59.3	0	0	0	0	114	R314 Q315 N320 G321 L323	R314-S318 WeakPolarHBondContact O-CB 3.47Å; R314-S318 PolarHBondContact O-N 3.11Å; R314-S318 PolarHBondContact O-OG 3.16Å; Q315-S318 PolarHBondContact O-N 2.94Å; Q315-S318 VanDerWaalsContact O-N 3.11Å; Q315-S318 PolarHBondContact O-OG 3.44Å; S318-N320 PolarHBondContact O-N 2.98Å; S318-N320 VanDerWaalsContact O-N 3.17Å; S318-G321 PolarHBondContact O-N 2.99Å; S318-L323 WeakPolarHBondContact CA-OXT 3.19Å; S318-L323 WeakPolarHBondContact CB-OXT 3.18Å
319	T	98.1	Very high	98.1	Very high	88 Å²	88	57.9 Å²	57.9	54%	0.54	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-22.5	177.3	55.4	0	0	0	0	112.5	Q315	Q315-T319 HydrophobicContact CG-CG2 3.88Å; Q315-T319 WeakPolarHBondContact O-CG2 3.19Å; Q315-T319 PolarHBondContact O-N 3.39Å; Q315-T319 PolarHBondContact O-OG1 3.02Å
320	N	98.4	Very high	98.1	Very high	24 Å²	24	56.8 Å²	56.8	13%	0.128	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	1.9	176.6	-69.7	-84.1	0	0	0	113.3	R267 E270 P271 D316 F317 S318	R267-N320 PolarHBondContact NE-O 2.68Å; R267-N320 PolarHBondContact NH2-O 3.35Å; R267-N320 WeakPolarHBondContact O-CB 3.4Å; R267-N320 PolarHBondContact O-OD1 3.34Å; E270-N320 PolarHBondContact OE2-ND2 3.25Å; P271-N320 HydrophobicContact CG-CB 4.21Å; D316-N320 PolarHBondContact O-ND2 3.28Å; F317-N320 PolarHBondContact O-N 2.87Å; S318-N320 PolarHBondContact O-N 2.98Å; S318-N320 VanDerWaalsContact O-N 3.17Å
321	G	97.8	Very high	98	Very high	49 Å²	49	58.5 Å²	58.5	51%	0.505	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	76	36.2	173.6	0	0	0	0	0	114.3	R267 F317 S318	R267-G321 PolarHBondContact NH2-O 3.18Å; F317-G321 PolarHBondContact O-N 2.98Å; S318-G321 PolarHBondContact O-N 2.99Å
322	W	97.9	Very high	98	Very high	37 Å²	37	53.5 Å²	53.5	14%	0.14	29%	0.291	C	S	.	.			trans	-109.6	-14.8	177.5	-55.2	118.8	0	0	0	114	L242 E245 L264 R267 L268 P271 F291 F317	L242-W322 HydrophobicContact CD1-CB 4.36Å; L242-W322 HydrophobicContact CD1-CD2 3.91Å; L242-W322 HydrophobicContact CD1-CE3 4.45Å; L242-W322 HydrophobicContact CD1-CG 3.85Å; L242-W322 HydrophobicContact CD2-CB 4.36Å; L242-W322 HydrophobicContact CD2-CD2 4.33Å; L242-W322 HydrophobicContact CD2-CE3 4.18Å; L242-W322 HydrophobicContact CD2-CG 4.43Å; E245-W322 HydrophobicContact CB-CH2 4.42Å; E245-W322 HydrophobicContact CG-CE3 4.26Å; E245-W322 HydrophobicContact CG-CH2 3.68Å; E245-W322 HydrophobicContact CG-CZ3 3.47Å; E245-W322 VanDerWaalsContact CG-CZ3 3.47Å; L264-W322 HydrophobicContact CD1-CH2 3.76Å; L264-W322 HydrophobicContact CD1-CZ2 4.08Å; R267-W322 HydrophobicContact CB-CZ2 3.7Å; R267-W322 VanDerWaalsContact CZ-CH2 3.42Å; R267-W322 VanDerWaalsContact NH2-CH2 3.34Å; R267-W322 PolarHBondContact O-NE1 3.17Å; L268-W322 HydrophobicContact CD2-CZ2 3.81Å; L268-W322 HydrophobicContact CG-CZ2 4.27Å; P271-W322 VanDerWaalsContact CG-CD1 3.45Å; F291-W322 HydrophobicContact CZ-CB 4.26Å; F291-W322 WeakPolarHBondContact CZ-O 3.35Å; F317-W322 HydrophobicContact CB-CB 4.46Å; F317-W322 HydrophobicContact CD1-CB 3.96Å; F317-W322 PolarHBondContact O-N 3.22Å
323	L	94.6	Very high	98	Very high	95 Å²	95	52.5 Å²	52.5	50%	0.497	29%	0.287	S	S	.	.			trans	-143.3	0	178.9	-176	67.1	0	0	0	109.7	W290 R314 F317 S318	W290-L323 HydrophobicContact CB-CD1 4.48Å; W290-L323 HydrophobicContact CD2-CD2 4.2Å; W290-L323 HydrophobicContact CE3-CD2 3.61Å; W290-L323 HydrophobicContact CZ3-CD2 4.03Å; R314-L323 HydrophobicContact CG-CD2 3.97Å; F317-L323 HydrophobicContact CB-CB 3.99Å; S318-L323 WeakPolarHBondContact CA-OXT 3.19Å; S318-L323 WeakPolarHBondContact CB-OXT 3.18Å

Retrieved 323 of 323 residues in 150 ms (Link to these results)

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