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Monoglyceride lipase

Converts monoacylglycerides to free fatty acids and glycerol. Hydrolyzes the endocannabinoid 2-arachidonoylglycerol, and thereby contributes to the regulation of endocannabinoid signaling, nociperception and perception of pain. Regulates the levels of fatty acids that serve as signaling molecules and promote cancer cell migration, invasion and tumor growth.

AlphaFold DB (A0A2K5MBP5), UniProt , Accession A0A096NQ64, Species PAPAN (Papio anubis, Olive baboon), Gene MGLL, Length 313 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	45.3	Very low	45.8	Very low	242 Å²	242	151.7 Å²	151.7	100%	1.192	83%	0.826	S	S	*	*				0	106	0	-77.7	177.6	-172.7	0	0	106.4
2	E	39.3	Very low	45.9	Very low	199 Å²	199	149 Å²	149	93%	0.93	82%	0.822	S	S	*	*			trans	-162.3	91.1	155.5	-111.9	171.7	-167.3	0	0	105	G4	E2-G4 PolarHBondContact O-N 3.44Å
3	T	41.5	Very low	46.5	Very low	137 Å²	137	151.2 Å²	151.2	84%	0.84	82%	0.823	S	S	*	*			trans	-78.6	107.8	174.4	44.3	0	0	0	0	107.2	S5	T3-S5 PolarHBondContact O-N 3.23Å
4	G	42.8	Very low	47.1	Very low	75 Å²	75	154.1 Å²	154.1	77%	0.773	83%	0.828	S	S	*	*			trans	-61.1	114.6	168.6	0	0	0	0	0	109.4	E2 E6	E2-G4 PolarHBondContact O-N 3.44Å; G4-E6 PolarHBondContact O-N 3.08Å
5	S	43.6	Very low	48.7	Very low	114 Å²	114	151.1 Å²	151.1	80%	0.797	82%	0.824	S	S	*	*			trans	-69.5	109.4	170.8	51.6	0	0	0	0	109	T3 D7	T3-S5 PolarHBondContact O-N 3.23Å; S5-D7 PolarHBondContact O-N 3.49Å
6	E	50.8	Low	50.8	Low	188 Å²	188	147.9 Å²	147.9	88%	0.879	82%	0.816	S	S	*	*			trans	-64.5	121.3	162.4	-72.6	-177	155	0	0	108.3	G4 P8	G4-E6 PolarHBondContact O-N 3.08Å; E6-P8 VanDerWaalsContact O-CD 3.31Å; E6-P8 WeakPolarHBondContact O-CD 3.34Å
7	D	50.1	Low	53.3	Low	115 Å²	115	142.5 Å²	142.5	62%	0.615	79%	0.789	S	S	*	*			trans	-67.7	114.7	177.1	-176.6	-6.6	0	0	0	109.7	S5 S9	S5-D7 PolarHBondContact O-N 3.49Å; D7-S9 VanDerWaalsContact CG-OG 3.23Å; D7-S9 PolarHBondContact O-N 3.37Å; D7-S9 VanDerWaalsContact OD1-CB 3.29Å; D7-S9 WeakPolarHBondContact OD1-CB 3.44Å; D7-S9 PolarHBondContact OD1-N 3.27Å; D7-S9 PolarHBondContact OD1-OG 3.32Å; D7-S9 PolarHBondContact OD2-OG 3.43Å
8	P	47.1	Very low	55.7	Low	133 Å²	133	140.6 Å²	140.6	86%	0.864	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	9	-177.4	32.7	-32.8	0	0	0	113.1	E6	E6-P8 VanDerWaalsContact O-CD 3.31Å; E6-P8 WeakPolarHBondContact O-CD 3.34Å
9	S	46.7	Very low	58	Low	79 Å²	79	139.4 Å²	139.4	55%	0.552	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	10.9	-173.2	72.7	0	0	0	0	115.8	D7 M11	D7-S9 VanDerWaalsContact CG-OG 3.23Å; D7-S9 PolarHBondContact O-N 3.37Å; D7-S9 VanDerWaalsContact OD1-CB 3.29Å; D7-S9 WeakPolarHBondContact OD1-CB 3.44Å; D7-S9 PolarHBondContact OD1-N 3.27Å; D7-S9 PolarHBondContact OD1-OG 3.32Å; D7-S9 PolarHBondContact OD2-OG 3.43Å; S9-M11 PolarHBondContact O-N 3.32Å
10	R	47	Very low	60	Low	224 Å²	224	132.8 Å²	132.8	85%	0.845	72%	0.715	S	S	*	*			trans	-74.9	80.9	171.8	-152.1	173.8	-171.2	176.8	1.7	109.9
11	M	49.1	Very low	61.8	Low	163 Å²	163	129.6 Å²	129.6	80%	0.803	70%	0.702	S	S	*	*			trans	-47.4	133.9	163.9	-66.1	-119.6	-97	0	0	108	S9 E13	S9-M11 PolarHBondContact O-N 3.32Å; M11-E13 PolarHBondContact O-N 3.42Å; M11-E13 VanDerWaalsContact O-N 3.11Å
12	P	47.7	Very low	64.3	Low	119 Å²	119	121.4 Å²	121.4	77%	0.773	66%	0.661	S	S	*	*			trans	-54.9	125.1	173.3	23.4	-31.4	0	0	0	107.3	E14	P12-E14 PolarHBondContact O-N 2.73Å
13	E	53.3	Low	67.1	Low	178 Å²	178	115.8 Å²	115.8	83%	0.832	64%	0.644	S	S	*	*			trans	-49.1	111.9	171.9	-79.9	177	164.3	0	0	107.1	M11 S15	M11-E13 PolarHBondContact O-N 3.42Å; M11-E13 VanDerWaalsContact O-N 3.11Å; E13-S15 PolarHBondContact O-N 2.65Å
14	E	55	Low	69.8	Low	191 Å²	191	112.5 Å²	112.5	89%	0.893	62%	0.62	S	S	*	*			trans	-54.8	108.6	168	-86.7	-177.3	155.6	0	0	105.8	P12 S16	P12-E14 PolarHBondContact O-N 2.73Å; E14-S16 PolarHBondContact O-N 3.46Å
15	S	71.6	Confident	72.5	Confident	110 Å²	110	109.7 Å²	109.7	77%	0.769	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-53.6	119.9	-178.7	59.4	0	0	0	0	107.6	E13	E13-S15 PolarHBondContact O-N 2.65Å
16	S	81.9	Confident	75.1	Confident	100 Å²	100	104.3 Å²	104.3	70%	0.699	55%	0.55	S	S	*	*	P	Polyproline II helix	trans	-46.9	137.1	-179.8	57.6	0	0	0	0	110.4	E14 R18	E14-S16 PolarHBondContact O-N 3.46Å; S16-R18 PolarHBondContact O-N 2.75Å
17	P	92.6	Very high	77.3	Confident	56 Å²	56	102.2 Å²	102.2	36%	0.364	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-57.6	138	-173.5	23.3	-33.8	0	0	0	110.6	R19	P17-R19 WeakPolarHBondContact O-CG 3.31Å
18	R	97.3	Very high	79.6	Confident	107 Å²	107	101.6 Å²	101.6	40%	0.404	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-61.1	136	176.2	-65.2	-76.7	-75.9	-86.7	2.2	109.2	S16 Y26 G37 Y39 E94	S16-R18 PolarHBondContact O-N 2.75Å; R18-Y26 HydrophobicContact CB-CD2 4.16Å; R18-Y26 PolarHBondContact O-N 3.31Å; R18-G37 PolarHBondContact NH2-O 3.08Å; R18-Y39 HydrophobicContact CB-CD2 4.15Å; R18-Y39 HydrophobicContact CB-CE1 4.45Å; R18-Y39 HydrophobicContact CB-CE2 3.92Å; R18-Y39 HydrophobicContact CG-CD2 4.22Å; R18-Y39 HydrophobicContact CG-CE2 3.67Å; R18-E94 IonicContact CZ-OE1 3.72Å; R18-E94 VanDerWaalsContact CZ-OE1 3.32Å; R18-E94 IonicContact CZ-OE2 3.06Å; R18-E94 IonicContact NE-OE1 3.3Å; R18-E94 PolarHBondContact NE-OE1 3.3Å; R18-E94 IonicContact NE-OE2 3.67Å; R18-E94 VanDerWaalsContact NH2-CD 3.25Å; R18-E94 IonicContact NH2-OE1 2.85Å; R18-E94 PolarHBondContact NH2-OE1 3.49Å; R18-E94 VanDerWaalsContact NH2-OE1 3.11Å; R18-E94 IonicContact NH2-OE2 3.74Å; R18-E94 PolarHBondContact NH2-OE2 3.39Å
19	R	98.4	Very high	82.1	Confident	119 Å²	119	96.9 Å²	96.9	45%	0.449	51%	0.505	S	S	.	.	B	Isolated β-bridge	trans	-127.5	151.7	-173.3	-72.9	169.4	-175	-89	-2.6	111.1	P17 S23 I24 P25 Y26	P17-R19 WeakPolarHBondContact O-CG 3.31Å; R19-S23 PolarHBondContact NH1-O 3.04Å; R19-I24 CarbonylContact C-O 3.54Å; R19-I24 WeakPolarHBondContact CA-O 3.43Å; R19-P25 HydrophobicContact CG-CG 4.46Å; R19-Y26 WeakPolarHBondContact O-CE2 3.5Å
20	T	98.6	Very high	84.5	Confident	6 Å²	6	96.3 Å²	96.3	4%	0.037	50%	0.499	C	S	.	.			trans	-60.6	163.3	167.4	70.7	0	0	0	0	110.4	Q22 S23 I24 Y26 L29 Q92	T20-Q22 PolarHBondContact O-N 2.94Å; T20-Q22 PolarHBondContact OG1-N 3.13Å; T20-Q22 PolarHBondContact OG1-OE1 3.41Å; T20-S23 WeakPolarHBondContact O-CA 3.27Å; T20-S23 PolarHBondContact O-N 3.3Å; T20-S23 PolarHBondContact OG1-N 3.46Å; T20-I24 HydrophobicContact CG2-CB 4.26Å; T20-I24 WeakPolarHBondContact CG2-O 3.46Å; T20-I24 PolarHBondContact N-O 3.09Å; T20-I24 PolarHBondContact OG1-N 3.24Å; T20-I24 VanDerWaalsContact OG1-N 3.15Å; T20-Y26 HydrophobicContact CG2-CD1 4.24Å; T20-Y26 HydrophobicContact CG2-CE1 3.85Å; T20-Y26 HydrophobicContact CG2-CE2 4.37Å; T20-L29 HydrophobicContact CG2-CD1 3.48Å; T20-L29 VanDerWaalsContact CG2-CD1 3.48Å; T20-Q92 VanDerWaalsContact CB-O 3.31Å; T20-Q92 WeakPolarHBondContact CB-O 3.33Å; T20-Q92 HydrophobicContact CG2-CB 4.06Å; T20-Q92 WeakPolarHBondContact CG2-O 3.5Å
21	P	98.3	Very high	87	Confident	66 Å²	66	89 Å²	89	43%	0.429	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-18	171.2	-23.8	34.5	0	0	0	114	S23 Q92 S93	P21-S23 VanDerWaalsContact C-N 3.31Å; P21-Q92 VanDerWaalsContact CD-O 3.24Å; P21-Q92 WeakPolarHBondContact CD-O 3.48Å; P21-S93 WeakPolarHBondContact CD-O 3.33Å; P21-S93 VanDerWaalsContact CG-O 3.27Å; P21-S93 WeakPolarHBondContact CG-O 3.36Å
22	Q	98.2	Very high	89.4	Confident	71 Å²	71	82.4 Å²	82.4	33%	0.332	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	13.5	174.9	-53.5	75.1	27.3	0	0	112.4	T20 I24 G91 L209	T20-Q22 PolarHBondContact O-N 2.94Å; T20-Q22 PolarHBondContact OG1-N 3.13Å; T20-Q22 PolarHBondContact OG1-OE1 3.41Å; Q22-I24 VanDerWaalsContact C-N 3.32Å; Q22-I24 PolarHBondContact O-N 3.34Å; Q22-G91 PolarHBondContact NE2-O 2.85Å; Q22-L209 HydrophobicContact CG-CD2 3.81Å
23	S	97.9	Very high	91.8	Very high	81 Å²	81	79.5 Å²	79.5	57%	0.566	42%	0.422	S	S	*	.	S	Bend	trans	69.3	15.1	176.4	-53.8	0	0	0	0	116.3	R19 T20 P21	R19-S23 PolarHBondContact NH1-O 3.04Å; T20-S23 WeakPolarHBondContact O-CA 3.27Å; T20-S23 PolarHBondContact O-N 3.3Å; T20-S23 PolarHBondContact OG1-N 3.46Å; P21-S23 VanDerWaalsContact C-N 3.31Å
24	I	98.1	Very high	93.9	Very high	68 Å²	68	71.3 Å²	71.3	35%	0.349	38%	0.384	S	S	.	.			trans	-84.7	130.7	175.9	-53.9	175.9	0	0	0	109.2	R19 T20 Q22 L29	R19-I24 CarbonylContact C-O 3.54Å; R19-I24 WeakPolarHBondContact CA-O 3.43Å; T20-I24 HydrophobicContact CG2-CB 4.26Å; T20-I24 WeakPolarHBondContact CG2-O 3.46Å; T20-I24 PolarHBondContact N-O 3.09Å; T20-I24 PolarHBondContact OG1-N 3.24Å; T20-I24 VanDerWaalsContact OG1-N 3.15Å; Q22-I24 VanDerWaalsContact C-N 3.32Å; Q22-I24 PolarHBondContact O-N 3.34Å; I24-L29 HydrophobicContact CB-CD1 4.13Å; I24-L29 HydrophobicContact CG2-CD1 3.74Å; I24-L29 HydrophobicContact CG2-CD2 4.25Å; I24-L29 HydrophobicContact CG2-CG 3.98Å
25	P	98.3	Very high	96	Very high	16 Å²	16	65.7 Å²	65.7	10%	0.104	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-62.5	134.9	176.6	-20.3	32.5	0	0	0	112.5	R19 Q27 D28	R19-P25 HydrophobicContact CG-CG 4.46Å; P25-Q27 HydrophobicContact CB-CG 3.64Å; P25-Q27 PolarHBondContact O-N 3.12Å; P25-D28 WeakPolarHBondContact CB-OD2 3.37Å; P25-D28 WeakPolarHBondContact CG-OD2 3.31Å; P25-D28 PolarHBondContact O-N 3.35Å; P25-D28 VanDerWaalsContact O-N 3.13Å
26	Y	98.4	Very high	97.3	Very high	1 Å²	1	64.3 Å²	64.3	0%	0.004	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-65.8	-26.7	176.7	-81.3	-72	0	0	0	113.3	R18 R19 T20 D28 L29 H31 Y39 F41 Q92 S93 E94	R18-Y26 HydrophobicContact CB-CD2 4.16Å; R18-Y26 PolarHBondContact O-N 3.31Å; R19-Y26 WeakPolarHBondContact O-CE2 3.5Å; T20-Y26 HydrophobicContact CG2-CD1 4.24Å; T20-Y26 HydrophobicContact CG2-CE1 3.85Å; T20-Y26 HydrophobicContact CG2-CE2 4.37Å; Y26-D28 PolarHBondContact O-N 3.45Å; Y26-D28 VanDerWaalsContact O-N 3.11Å; Y26-L29 CarbonylContact O-C 3.32Å; Y26-L29 PolarHBondContact O-N 3.47Å; Y26-H31 HydrophobicContact CD1-CB 3.79Å; Y26-H31 HydrophobicContact CE1-CB 4.46Å; Y26-H31 PolarHBondContact O-CE1 3.06Å; Y26-H31 VanDerWaalsContact O-CE1 3.28Å; Y26-H31 PolarHBondContact O-ND1 3.29Å; Y26-Y39 HydrophobicContact CD1-CD1 4.13Å; Y26-Y39 AromaticContact CD2-CD1 3.68Å; Y26-Y39 HydrophobicContact CD2-CD1 3.68Å; Y26-Y39 AromaticContact CD2-CG 3.7Å; Y26-Y39 HydrophobicContact CD2-CG 3.7Å; Y26-Y39 HydrophobicContact CE2-CD1 4.35Å; Y26-Y39 AromaticContact CE2-CG 3.95Å; Y26-Y39 HydrophobicContact CE2-CG 3.95Å; Y26-Y39 AromaticContact CG-CD1 3.54Å; Y26-Y39 HydrophobicContact CG-CD1 3.54Å; Y26-Y39 HydrophobicContact CG-CE1 4.41Å; Y26-Y39 AromaticContact CG-CG 4Å; Y26-Y39 HydrophobicContact CG-CG 4Å; Y26-Y39 VanDerWaalsContact CZ-CB 3.41Å; Y26-Y39 PolarHBondContact OH-O 3.5Å; Y26-F41 HydrophobicContact CE1-CB 4.41Å; Y26-Q92 PolarHBondContact OH-O 3.02Å; Y26-S93 VanDerWaalsContact OH-CA 3.24Å; Y26-S93 WeakPolarHBondContact OH-CA 3.12Å; Y26-E94 HydrophobicContact CE2-CG 3.8Å; Y26-E94 PolarHBondContact OH-N 3.08Å
27	Q	97.8	Very high	98.1	Very high	143 Å²	143	61.2 Å²	61.2	67%	0.668	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-57.9	-22.8	173.8	58.5	172.2	54.5	0	0	113.4	P25	P25-Q27 HydrophobicContact CB-CG 3.64Å; P25-Q27 PolarHBondContact O-N 3.12Å
28	D	98.2	Very high	98.4	Very high	103 Å²	103	60.8 Å²	60.8	55%	0.551	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-95.4	0	179.9	-53.7	-34.3	0	0	0	112	P25 Y26	P25-D28 WeakPolarHBondContact CB-OD2 3.37Å; P25-D28 WeakPolarHBondContact CG-OD2 3.31Å; P25-D28 PolarHBondContact O-N 3.35Å; P25-D28 VanDerWaalsContact O-N 3.13Å; Y26-D28 PolarHBondContact O-N 3.45Å; Y26-D28 VanDerWaalsContact O-N 3.11Å
29	L	98.6	Very high	98.4	Very high	34 Å²	34	58.3 Å²	58.3	18%	0.178	32%	0.322	C	S	.	.	S	Bend	trans	-127.9	148.1	-174.7	-61.5	176.4	0	0	0	111.2	T20 I24 Y26 H31 F41	T20-L29 HydrophobicContact CG2-CD1 3.48Å; T20-L29 VanDerWaalsContact CG2-CD1 3.48Å; I24-L29 HydrophobicContact CB-CD1 4.13Å; I24-L29 HydrophobicContact CG2-CD1 3.74Å; I24-L29 HydrophobicContact CG2-CD2 4.25Å; I24-L29 HydrophobicContact CG2-CG 3.98Å; Y26-L29 CarbonylContact O-C 3.32Å; Y26-L29 PolarHBondContact O-N 3.47Å; L29-H31 PolarHBondContact O-N 3.18Å; L29-H31 PolarHBondContact O-ND1 2.72Å; L29-F41 HydrophobicContact CB-CD2 4.22Å; L29-F41 HydrophobicContact CB-CE2 4.3Å; L29-F41 HydrophobicContact CD1-CD2 4.07Å; L29-F41 HydrophobicContact CD1-CE2 4.33Å; L29-F41 HydrophobicContact CD2-CE2 4.28Å
30	P	98.7	Very high	98.5	Very high	66 Å²	66	52.6 Å²	52.6	43%	0.429	30%	0.301	S	S	.	.			trans	-62.2	129	166.5	-13.7	27.4	0	0	0	109.4	C42 Y44	P30-C42 HydrophobicContact CB-CB 4.22Å; P30-C42 PolarHBondContact O-N 2.99Å; P30-Y44 HydrophobicContact CB-CD2 4.08Å; P30-Y44 HydrophobicContact CB-CE2 3.76Å
31	H	98.8	Very high	98.5	Very high	71 Å²	71	52.9 Å²	52.9	33%	0.329	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	163.9	-177	66.1	-85.4	0	0	0	111.8	Y26 L29 Y39 L40	Y26-H31 HydrophobicContact CD1-CB 3.79Å; Y26-H31 HydrophobicContact CE1-CB 4.46Å; Y26-H31 PolarHBondContact O-CE1 3.06Å; Y26-H31 VanDerWaalsContact O-CE1 3.28Å; Y26-H31 PolarHBondContact O-ND1 3.29Å; L29-H31 PolarHBondContact O-N 3.18Å; L29-H31 PolarHBondContact O-ND1 2.72Å; H31-Y39 AromaticContact CD2-CD1 3.41Å; H31-Y39 VanDerWaalsContact CD2-CD1 3.41Å; H31-Y39 WeakPolarHBondContact CD2-CD1 3.48Å; H31-Y39 AromaticContact CD2-CE1 3.53Å; H31-Y39 AromaticContact NE2-CD1 3.93Å; H31-Y39 AromaticContact NE2-CE1 3.56Å; H31-L40 CarbonylContact C-O 3.54Å; H31-L40 WeakPolarHBondContact CA-O 3.29Å; H31-L40 WeakPolarHBondContact CB-O 3.46Å
32	L	98.8	Very high	98.5	Very high	25 Å²	25	49.7 Å²	49.7	13%	0.131	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	159.9	164.3	69.3	81.7	0	0	0	109.4	N34 Y39 L40 H113	L32-N34 HydrophobicContact CD1-CB 4.46Å; L32-Y39 WeakPolarHBondContact O-CA 3.35Å; L32-L40 HydrophobicContact CD1-CB 4.03Å; L32-L40 HydrophobicContact CD1-CD1 3.85Å; L32-L40 HydrophobicContact CD1-CG 3.99Å; L32-L40 HydrophobicContact CG-CB 4.13Å; L32-L40 PolarHBondContact N-O 2.85Å; L32-L40 PolarHBondContact O-N 2.97Å; L32-H113 HydrophobicContact CD2-CB 3.73Å
33	V	98.8	Very high	98.5	Very high	57 Å²	57	49.9 Å²	49.9	35%	0.345	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	121.1	172.5	-177.3	0	0	0	0	108.1	Q38 Y39 Q112	V33-Q38 CarbonylContact C-O 3.26Å; V33-Q38 WeakPolarHBondContact CA-O 3.39Å; V33-Y39 HydrophobicContact CG2-CD1 4Å; V33-Y39 HydrophobicContact CG2-CD2 4.08Å; V33-Y39 HydrophobicContact CG2-CE1 3.79Å; V33-Y39 HydrophobicContact CG2-CE2 3.86Å; V33-Y39 HydrophobicContact CG2-CG 4.14Å; V33-Q112 PolarHBondContact O-NE2 3.04Å
34	N	98.7	Very high	98.6	Very high	6 Å²	6	50.6 Å²	50.6	3%	0.032	27%	0.269	C	S	.	.			trans	-73.5	174	-179.5	78.8	-0.9	0	0	0	112	L32 D36 G37 Q38 L40 D109	L32-N34 HydrophobicContact CD1-CB 4.46Å; N34-D36 PolarHBondContact O-N 3.08Å; N34-D36 VanDerWaalsContact O-N 3.08Å; N34-D36 WeakPolarHBondContact OD1-CA 3.07Å; N34-D36 PolarHBondContact OD1-N 3.02Å; N34-G37 PolarHBondContact O-N 3.21Å; N34-G37 PolarHBondContact OD1-N 3.4Å; N34-Q38 PolarHBondContact N-O 3.04Å; N34-Q38 PolarHBondContact ND2-OE1 3.2Å; N34-Q38 WeakPolarHBondContact OD1-CB 3.42Å; N34-Q38 PolarHBondContact OD1-N 3.42Å; N34-Q38 PolarHBondContact OD1-O 3.49Å; N34-L40 HydrophobicContact CB-CD1 4.23Å; N34-L40 HydrophobicContact CB-CG 4.37Å; N34-D109 WeakPolarHBondContact CB-OD2 3.42Å; N34-D109 PolarHBondContact ND2-OD2 3.25Å
35	A	98.5	Very high	98.6	Very high	74 Å²	74	48.2 Å²	48.2	61%	0.612	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-15.1	-178.7	0	0	0	0	0	114.4
36	D	98.3	Very high	98.6	Very high	81 Å²	81	53.6 Å²	53.6	43%	0.433	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	7.2	175.6	-55.9	-35.1	0	0	0	112.5	N34 Q38 R108	N34-D36 PolarHBondContact O-N 3.08Å; N34-D36 VanDerWaalsContact O-N 3.08Å; N34-D36 WeakPolarHBondContact OD1-CA 3.07Å; N34-D36 PolarHBondContact OD1-N 3.02Å; D36-Q38 VanDerWaalsContact C-N 3.33Å; D36-Q38 HydrophobicContact CB-CG 4.4Å; D36-R108 VanDerWaalsContact CG-NH2 3.32Å; D36-R108 IonicContact OD1-CZ 2.7Å; D36-R108 IonicContact OD1-NH1 3.74Å; D36-R108 PolarHBondContact OD1-NH1 2.81Å; D36-R108 IonicContact OD1-NH2 2.57Å; D36-R108 IonicContact OD2-CZ 2.77Å; D36-R108 IonicContact OD2-NH1 2.74Å; D36-R108 PolarHBondContact OD2-NH1 3.06Å; D36-R108 IonicContact OD2-NH2 3.8Å; D36-R108 PolarHBondContact OD2-NH2 3.45Å
37	G	98.5	Very high	98.6	Very high	34 Å²	34	54 Å²	54	35%	0.351	28%	0.281	S	S	.	.	S	Bend	trans	76.7	18	179.6	0	0	0	0	0	114.3	R18 N34	R18-G37 PolarHBondContact NH2-O 3.08Å; N34-G37 PolarHBondContact O-N 3.21Å; N34-G37 PolarHBondContact OD1-N 3.4Å
38	Q	98.7	Very high	98.4	Very high	48 Å²	48	54.7 Å²	54.7	22%	0.224	30%	0.295	C	S	.	.			trans	-96.5	137.5	178.5	-56.2	174.5	-66.8	0	0	110.6	V33 N34 D36 V88 E94	V33-Q38 CarbonylContact C-O 3.26Å; V33-Q38 WeakPolarHBondContact CA-O 3.39Å; N34-Q38 PolarHBondContact N-O 3.04Å; N34-Q38 PolarHBondContact ND2-OE1 3.2Å; N34-Q38 WeakPolarHBondContact OD1-CB 3.42Å; N34-Q38 PolarHBondContact OD1-N 3.42Å; N34-Q38 PolarHBondContact OD1-O 3.49Å; D36-Q38 VanDerWaalsContact C-N 3.33Å; D36-Q38 HydrophobicContact CB-CG 4.4Å; Q38-V88 VanDerWaalsContact OE1-CG2 3.31Å; Q38-E94 WeakPolarHBondContact CA-OE2 3.32Å; Q38-E94 HydrophobicContact CB-CB 4.32Å
39	Y	98.9	Very high	98.2	Very high	54 Å²	54	51.6 Å²	51.6	21%	0.212	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	126.6	176.5	-76	-111.1	0	0	0	109.9	R18 Y26 H31 L32 V33 E94	R18-Y39 HydrophobicContact CB-CD2 4.15Å; R18-Y39 HydrophobicContact CB-CE1 4.45Å; R18-Y39 HydrophobicContact CB-CE2 3.92Å; R18-Y39 HydrophobicContact CG-CD2 4.22Å; R18-Y39 HydrophobicContact CG-CE2 3.67Å; Y26-Y39 HydrophobicContact CD1-CD1 4.13Å; Y26-Y39 AromaticContact CD2-CD1 3.68Å; Y26-Y39 HydrophobicContact CD2-CD1 3.68Å; Y26-Y39 AromaticContact CD2-CG 3.7Å; Y26-Y39 HydrophobicContact CD2-CG 3.7Å; Y26-Y39 HydrophobicContact CE2-CD1 4.35Å; Y26-Y39 AromaticContact CE2-CG 3.95Å; Y26-Y39 HydrophobicContact CE2-CG 3.95Å; Y26-Y39 AromaticContact CG-CD1 3.54Å; Y26-Y39 HydrophobicContact CG-CD1 3.54Å; Y26-Y39 HydrophobicContact CG-CE1 4.41Å; Y26-Y39 AromaticContact CG-CG 4Å; Y26-Y39 HydrophobicContact CG-CG 4Å; Y26-Y39 VanDerWaalsContact CZ-CB 3.41Å; Y26-Y39 PolarHBondContact OH-O 3.5Å; H31-Y39 AromaticContact CD2-CD1 3.41Å; H31-Y39 VanDerWaalsContact CD2-CD1 3.41Å; H31-Y39 WeakPolarHBondContact CD2-CD1 3.48Å; H31-Y39 AromaticContact CD2-CE1 3.53Å; H31-Y39 AromaticContact NE2-CD1 3.93Å; H31-Y39 AromaticContact NE2-CE1 3.56Å; L32-Y39 WeakPolarHBondContact O-CA 3.35Å; V33-Y39 HydrophobicContact CG2-CD1 4Å; V33-Y39 HydrophobicContact CG2-CD2 4.08Å; V33-Y39 HydrophobicContact CG2-CE1 3.79Å; V33-Y39 HydrophobicContact CG2-CE2 3.86Å; V33-Y39 HydrophobicContact CG2-CG 4.14Å; Y39-E94 PolarHBondContact N-OE2 2.95Å; Y39-E94 PolarHBondContact O-N 3.08Å
40	L	98.9	Very high	98.1	Very high	0 Å²	0	56 Å²	56	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	126.8	171	-52.5	-172.5	0	0	0	109.4	H31 L32 N34 H85 V88 S93 D109	H31-L40 CarbonylContact C-O 3.54Å; H31-L40 WeakPolarHBondContact CA-O 3.29Å; H31-L40 WeakPolarHBondContact CB-O 3.46Å; L32-L40 HydrophobicContact CD1-CB 4.03Å; L32-L40 HydrophobicContact CD1-CD1 3.85Å; L32-L40 HydrophobicContact CD1-CG 3.99Å; L32-L40 HydrophobicContact CG-CB 4.13Å; L32-L40 PolarHBondContact N-O 2.85Å; L32-L40 PolarHBondContact O-N 2.97Å; N34-L40 HydrophobicContact CB-CD1 4.23Å; N34-L40 HydrophobicContact CB-CG 4.37Å; L40-H85 HydrophobicContact CB-CB 4.35Å; L40-V88 HydrophobicContact CD2-CB 4.09Å; L40-S93 WeakPolarHBondContact CA-OG 3.4Å; L40-D109 HydrophobicContact CD1-CB 3.89Å
41	F	98.9	Very high	98	Very high	11 Å²	11	53.3 Å²	53.3	5%	0.048	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	131.9	171.5	170.5	-97.6	0	0	0	109.7	Y26 L29 R43 H85 D86 Q92 S93	Y26-F41 HydrophobicContact CE1-CB 4.41Å; L29-F41 HydrophobicContact CB-CD2 4.22Å; L29-F41 HydrophobicContact CB-CE2 4.3Å; L29-F41 HydrophobicContact CD1-CD2 4.07Å; L29-F41 HydrophobicContact CD1-CE2 4.33Å; L29-F41 HydrophobicContact CD2-CE2 4.28Å; F41-R43 HydrophobicContact CE1-CB 4.17Å; F41-H85 CarbonylContact O-C 3.58Å; F41-H85 WeakPolarHBondContact O-CA 3.41Å; F41-H85 WeakPolarHBondContact O-CB 3.38Å; F41-D86 HydrophobicContact CB-CB 4.41Å; F41-D86 WeakPolarHBondContact CD1-OD2 3.42Å; F41-D86 PolarHBondContact O-N 2.61Å; F41-Q92 HydrophobicContact CB-CB 3.65Å; F41-Q92 HydrophobicContact CD1-CB 4.21Å; F41-Q92 HydrophobicContact CD2-CB 4.11Å; F41-Q92 VanDerWaalsContact CE2-NE2 3.33Å; F41-Q92 HydrophobicContact CG-CB 3.71Å; F41-S93 PolarHBondContact N-OG 2.65Å
42	C	98.9	Very high	98	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	151.5	179.2	-59.2	0	0	0	0	111.4	P30 Y44 A84	P30-C42 HydrophobicContact CB-CB 4.22Å; P30-C42 PolarHBondContact O-N 2.99Å; C42-Y44 HydrophobicContact CB-CE2 3.67Å; C42-A84 CarbonylContact C-O 3.59Å; C42-A84 WeakPolarHBondContact CA-O 3.29Å
43	R	98.8	Very high	98	Very high	75 Å²	75	53.7 Å²	53.7	28%	0.283	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	140.7	173	-167.9	176.2	-81	-130.1	-0.1	110.1	F41 W45 E69 F83 A84	F41-R43 HydrophobicContact CE1-CB 4.17Å; R43-W45 HydrophobicContact CB-CH2 3.96Å; R43-W45 HydrophobicContact CB-CZ3 3.99Å; R43-W45 HydrophobicContact CG-CD2 4.35Å; R43-W45 HydrophobicContact CG-CE3 4.19Å; R43-W45 HydrophobicContact CG-CH2 3.52Å; R43-W45 HydrophobicContact CG-CZ2 3.66Å; R43-W45 HydrophobicContact CG-CZ3 3.77Å; R43-E69 IonicContact NH1-OE2 3.62Å; R43-E69 PolarHBondContact NH1-OE2 2.86Å; R43-F83 CarbonylContact O-C 3.5Å; R43-F83 WeakPolarHBondContact O-CA 3.47Å; R43-A84 PolarHBondContact N-O 2.75Å; R43-A84 PolarHBondContact O-N 2.71Å
44	Y	98.8	Very high	98	Very high	96 Å²	96	51 Å²	51	38%	0.376	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	135.7	-176.3	-55.3	-82.1	0	0	0	110.1	P30 C42 V82 F83 H113 M117	P30-Y44 HydrophobicContact CB-CD2 4.08Å; P30-Y44 HydrophobicContact CB-CE2 3.76Å; C42-Y44 HydrophobicContact CB-CE2 3.67Å; Y44-V82 WeakPolarHBondContact CA-O 3.37Å; Y44-F83 HydrophobicContact CD1-CB 3.56Å; Y44-F83 HydrophobicContact CE1-CB 3.83Å; Y44-H113 AromaticContact CE1-NE2 3.56Å; Y44-H113 AromaticContact CZ-NE2 3.64Å; Y44-H113 PolarHBondContact OH-NE2 3.1Å; Y44-H113 VanDerWaalsContact OH-NE2 3.08Å; Y44-M117 HydrophobicContact CD1-CE 4.39Å; Y44-M117 HydrophobicContact CD1-SD 4.41Å; Y44-M117 HydrophobicContact CE1-CE 4.27Å; Y44-M117 HydrophobicContact CE1-SD 3.72Å
45	W	98.8	Very high	98	Very high	17 Å²	17	50.7 Å²	50.7	6%	0.064	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	99.1	169.9	-56.6	-103.2	0	0	0	107.3	R43 E69 A72 M76 V82 A84	R43-W45 HydrophobicContact CB-CH2 3.96Å; R43-W45 HydrophobicContact CB-CZ3 3.99Å; R43-W45 HydrophobicContact CG-CD2 4.35Å; R43-W45 HydrophobicContact CG-CE3 4.19Å; R43-W45 HydrophobicContact CG-CH2 3.52Å; R43-W45 HydrophobicContact CG-CZ2 3.66Å; R43-W45 HydrophobicContact CG-CZ3 3.77Å; W45-E69 WeakPolarHBondContact CZ2-OE2 3.49Å; W45-E69 PolarHBondContact NE1-OE1 3.2Å; W45-E69 PolarHBondContact NE1-OE2 3.23Å; W45-A72 HydrophobicContact CD2-CB 3.45Å; W45-A72 VanDerWaalsContact CD2-CB 3.45Å; W45-A72 VanDerWaalsContact CE2-CB 3.48Å; W45-A72 HydrophobicContact CE3-CB 3.75Å; W45-A72 HydrophobicContact CG-CB 3.83Å; W45-A72 HydrophobicContact CH2-CB 4.01Å; W45-A72 HydrophobicContact CZ2-CB 3.73Å; W45-A72 HydrophobicContact CZ3-CB 4.05Å; W45-M76 HydrophobicContact CB-CB 4.27Å; W45-M76 HydrophobicContact CB-CG 4.45Å; W45-M76 HydrophobicContact CB-SD 3.97Å; W45-V82 HydrophobicContact CB-CB 4.15Å; W45-V82 HydrophobicContact CE3-CB 3.99Å; W45-V82 HydrophobicContact CE3-CG1 3.85Å; W45-V82 HydrophobicContact CZ3-CG1 4.18Å; W45-V82 PolarHBondContact N-O 2.77Å; W45-V82 PolarHBondContact O-N 2.96Å; W45-A84 HydrophobicContact CZ3-CB 4.07Å
46	K	98.3	Very high	98	Very high	129 Å²	129	47.2 Å²	47.2	56%	0.561	25%	0.251	S	S	*	.			trans	-100.2	126.3	-172.6	-176.8	172.8	173	170.7	0	109.5	L81 Y121	K46-L81 HydrophobicContact CG-CD1 4.38Å; K46-Y121 WeakPolarHBondContact CE-OH 3.43Å; K46-Y121 PolarHBondContact NZ-OH 3.32Å; K46-Y121 VanDerWaalsContact NZ-OH 3.07Å
47	P	97.3	Very high	98.1	Very high	10 Å²	10	43.4 Å²	43.4	7%	0.065	23%	0.23	C	C	.	.			trans	-65.9	159.5	174	29.6	-34.6	0	0	0	110.3	G49 P51 M76 L80	P47-G49 VanDerWaalsContact C-N 3.3Å; P47-G49 PolarHBondContact O-N 3.03Å; P47-P51 HydrophobicContact CG-CB 4.25Å; P47-P51 HydrophobicContact CG-CG 4Å; P47-M76 HydrophobicContact CB-CG 4.22Å; P47-L80 WeakPolarHBondContact CD-O 3.38Å
48	T	94.6	Very high	98.1	Very high	158 Å²	158	41.8 Å²	41.8	97%	0.969	21%	0.214	S	C	*	.	S	Bend	trans	-67	-32.2	179.3	50.7	0	0	0	0	112.5
49	G	93.9	Very high	98.1	Very high	38 Å²	38	39.5 Å²	39.5	39%	0.392	20%	0.203	S	C	.	.	S	Bend	trans	-94.6	-171.7	178.2	0	0	0	0	0	114.6	P47 P51	P47-G49 VanDerWaalsContact C-N 3.3Å; P47-G49 PolarHBondContact O-N 3.03Å; G49-P51 WeakPolarHBondContact O-CD 3.42Å
50	T	95.4	Very high	98	Very high	127 Å²	127	37 Å²	37	78%	0.779	19%	0.194	S	C	*	.			trans	-67	123.6	173.1	-56.2	0	0	0	0	109.9
51	P	98	Very high	98	Very high	8 Å²	8	38.3 Å²	38.3	5%	0.052	20%	0.204	C	C	.	.			trans	-63	141.5	178.7	-19.6	30.9	0	0	0	112.2	P47 G49 D79 L81 Y121 L124	P47-P51 HydrophobicContact CG-CB 4.25Å; P47-P51 HydrophobicContact CG-CG 4Å; G49-P51 WeakPolarHBondContact O-CD 3.42Å; P51-D79 CarbonylContact C-O 3.38Å; P51-D79 VanDerWaalsContact CA-O 3.27Å; P51-D79 WeakPolarHBondContact CA-O 3.27Å; P51-L81 HydrophobicContact CB-CB 3.89Å; P51-L81 HydrophobicContact CG-CB 3.79Å; P51-L81 HydrophobicContact CG-CD1 4.22Å; P51-Y121 HydrophobicContact CG-CD1 4.34Å; P51-Y121 HydrophobicContact CG-CE1 3.98Å; P51-L124 HydrophobicContact CB-CD1 3.95Å; P51-L124 WeakPolarHBondContact O-CD1 3.47Å; P51-L124 WeakPolarHBondContact O-CD2 3.5Å
52	K	98.1	Very high	97.8	Very high	105 Å²	105	37.9 Å²	37.9	46%	0.457	20%	0.203	S	C	.	.	S	Bend	trans	-79.6	-29.3	172.7	-68.2	174.3	-179	146.1	0	112.5	D79	K52-D79 HydrophobicContact CD-CB 3.97Å; K52-D79 WeakPolarHBondContact CE-OD2 3.41Å; K52-D79 HydrophobicContact CG-CB 4.02Å; K52-D79 PolarHBondContact N-O 3.42Å; K52-D79 IonicContact NZ-OD2 3.13Å; K52-D79 PolarHBondContact NZ-OD2 2.98Å
53	A	98.7	Very high	97.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	166.8	179.5	0	0	0	0	0	110	L80 L81 P125 F127 T304	A53-L80 HydrophobicContact CB-CD2 4.26Å; A53-L80 HydrophobicContact CB-CG 4.07Å; A53-L80 WeakPolarHBondContact O-CA 3.21Å; A53-L81 PolarHBondContact O-N 3.05Å; A53-P125 WeakPolarHBondContact CA-O 3.35Å; A53-P125 HydrophobicContact CB-CG 3.75Å; A53-P125 WeakPolarHBondContact CB-O 3.36Å; A53-F127 HydrophobicContact CB-CD2 4Å; A53-F127 HydrophobicContact CB-CE2 3.87Å; A53-T304 HydrophobicContact CB-CG2 3.88Å
54	L	98.9	Very high	97.8	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	149.5	167.7	-47.1	179.5	0	0	0	109.3	L81 F83 M117 Q118 Y121 L124 P125 V126 F127	L54-L81 WeakPolarHBondContact CA-O 3.2Å; L54-L81 HydrophobicContact CD2-CB 3.77Å; L54-L81 HydrophobicContact CD2-CD1 4.24Å; L54-L81 HydrophobicContact CD2-CD2 4.44Å; L54-L81 HydrophobicContact CD2-CG 4.37Å; L54-F83 HydrophobicContact CB-CD1 4.42Å; L54-F83 HydrophobicContact CB-CE1 3.81Å; L54-M117 HydrophobicContact CD1-CB 4.05Å; L54-Q118 HydrophobicContact CD1-CG 4.23Å; L54-Y121 HydrophobicContact CD2-CD2 4.28Å; L54-Y121 HydrophobicContact CD2-CG 4.01Å; L54-L124 HydrophobicContact CD2-CD1 4.03Å; L54-L124 HydrophobicContact CG-CB 4.29Å; L54-L124 HydrophobicContact CG-CD1 4.44Å; L54-P125 PolarHBondContact N-O 2.88Å; L54-V126 HydrophobicContact CB-CG1 4.3Å; L54-V126 HydrophobicContact CB-CG2 4.1Å; L54-V126 HydrophobicContact CD1-CG2 3.96Å; L54-V126 HydrophobicContact CG-CG2 4.32Å; L54-V126 WeakPolarHBondContact O-CA 3.5Å; L54-F127 PolarHBondContact O-N 2.87Å
55	I	98.9	Very high	97.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	121.6	169.9	-174	161.8	0	0	0	111.3	L75 L80 L81 V82 F83 F127 L129	I55-L75 HydrophobicContact CD1-CD1 4Å; I55-L75 HydrophobicContact CD1-CD2 4.31Å; I55-L75 HydrophobicContact CG2-CD1 4.13Å; I55-L80 HydrophobicContact CB-CD2 4.03Å; I55-L80 HydrophobicContact CG2-CB 4.12Å; I55-L80 HydrophobicContact CG2-CD2 3.81Å; I55-L81 PolarHBondContact N-O 3.31Å; I55-V82 HydrophobicContact CG2-CB 4.09Å; I55-V82 HydrophobicContact CG2-CG1 4.09Å; I55-V82 HydrophobicContact CG2-CG2 3.7Å; I55-V82 WeakPolarHBondContact O-CA 3.2Å; I55-F83 VanDerWaalsContact O-CD1 3.32Å; I55-F83 WeakPolarHBondContact O-CD1 3.5Å; I55-F83 PolarHBondContact O-N 2.73Å; I55-F127 WeakPolarHBondContact CA-O 3.38Å; I55-F127 HydrophobicContact CB-CB 3.99Å; I55-F127 HydrophobicContact CD1-CB 3.78Å; I55-F127 HydrophobicContact CG1-CB 3.73Å; I55-L129 HydrophobicContact CD1-CB 4.12Å; I55-L129 HydrophobicContact CG1-CB 4.32Å
56	F	98.9	Very high	97.8	Very high	1 Å²	1	30.5 Å²	30.5	0%	0.004	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	128.8	174.5	-179	-98.6	0	0	0	110.4	F83 H85 V110 H113 V114 F127 L128 L129	F56-F83 CarbonylContact C-O 3.45Å; F56-F83 VanDerWaalsContact CA-O 3.27Å; F56-F83 WeakPolarHBondContact CA-O 3.34Å; F56-F83 HydrophobicContact CB-CE1 4.02Å; F56-F83 HydrophobicContact CB-CE2 4Å; F56-F83 HydrophobicContact CB-CZ 3.69Å; F56-F83 AromaticContact CD2-CD2 3.68Å; F56-F83 HydrophobicContact CD2-CD2 3.68Å; F56-F83 AromaticContact CD2-CE2 3.52Å; F56-F83 HydrophobicContact CD2-CE2 3.52Å; F56-F83 HydrophobicContact CD2-CG 4.44Å; F56-F83 HydrophobicContact CD2-CZ 4.14Å; F56-F83 HydrophobicContact CE2-CD2 4.47Å; F56-F83 HydrophobicContact CE2-CE2 4.49Å; F56-F83 HydrophobicContact CG-CE2 4.21Å; F56-F83 HydrophobicContact CG-CZ 4.39Å; F56-H85 AromaticContact CE2-CE1 3.9Å; F56-H85 AromaticContact CE2-ND1 3.9Å; F56-H85 AromaticContact CZ-CE1 3.72Å; F56-H85 AromaticContact CZ-NE2 3.66Å; F56-V110 HydrophobicContact CD1-CG1 3.74Å; F56-V110 HydrophobicContact CD1-CG2 4.29Å; F56-V110 HydrophobicContact CE1-CB 4.19Å; F56-V110 HydrophobicContact CE1-CG1 3.73Å; F56-V110 HydrophobicContact CE1-CG2 3.42Å; F56-V110 VanDerWaalsContact CE1-CG2 3.42Å; F56-V110 HydrophobicContact CG-CG1 4.28Å; F56-V110 HydrophobicContact CZ-CB 4.4Å; F56-V110 HydrophobicContact CZ-CG1 4.25Å; F56-V110 HydrophobicContact CZ-CG2 3.64Å; F56-H113 AromaticContact CE2-ND1 3.83Å; F56-V114 HydrophobicContact CB-CG2 4.38Å; F56-F127 PolarHBondContact N-O 3.3Å; F56-L128 HydrophobicContact CB-CD2 3.89Å; F56-L128 HydrophobicContact CD1-CD2 4.35Å; F56-L129 PolarHBondContact O-N 2.83Å
57	V	98.9	Very high	97.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	117.7	174.7	177.8	0	0	0	0	110.3	Y68 V82 F83 A84 L129	V57-Y68 HydrophobicContact CG1-CD1 3.41Å; V57-Y68 VanDerWaalsContact CG1-CD1 3.41Å; V57-Y68 HydrophobicContact CG1-CD2 4.03Å; V57-Y68 HydrophobicContact CG1-CE1 3.97Å; V57-Y68 HydrophobicContact CG1-CG 3.45Å; V57-Y68 VanDerWaalsContact CG1-CG 3.45Å; V57-V82 HydrophobicContact CG2-CG1 3.56Å; V57-F83 PolarHBondContact N-O 2.79Å; V57-A84 HydrophobicContact CB-CB 4.15Å; V57-A84 WeakPolarHBondContact O-CB 3.43Å; V57-L129 CarbonylContact C-O 3.47Å; V57-L129 WeakPolarHBondContact CA-O 3.17Å; V57-L129 HydrophobicContact CG1-CD2 4.09Å; V57-L129 HydrophobicContact CG2-CB 4.42Å
58	S	98.9	Very high	97.9	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.007	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	108.1	-178.6	-170.2	0	0	0	0	110.6	H87 L129 G130 H131 G134	S58-H87 PolarHBondContact OG-NE2 2.93Å; S58-H87 VanDerWaalsContact OG-NE2 3.15Å; S58-L129 PolarHBondContact N-O 3.49Å; S58-G130 WeakPolarHBondContact O-CA 3.41Å; S58-H131 PolarHBondContact O-N 3.35Å; S58-G134 WeakPolarHBondContact CB-O 3.35Å; S58-G134 WeakPolarHBondContact O-CA 3.23Å; S58-G134 VanDerWaalsContact OG-CA 3.22Å; S58-G134 WeakPolarHBondContact OG-CA 3.44Å; S58-G134 PolarHBondContact OG-O 2.97Å; S58-G134 VanDerWaalsContact OG-O 3.08Å
59	H	98.9	Very high	98.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.12	C	C	.	.			trans	-78	163	-178.6	74.1	78.7	0	0	0	113.1	E63 Y68 H85 D86 H87 H90 G134	H59-E63 HydrophobicContact CB-CG 4.16Å; H59-E63 PolarHBondContact CE1-O 3.38Å; H59-E63 PolarHBondContact ND1-O 3.48Å; H59-Y68 HydrophobicContact CB-CD2 4.26Å; H59-Y68 HydrophobicContact CB-CE2 3.46Å; H59-Y68 VanDerWaalsContact CB-CE2 3.46Å; H59-H85 PolarHBondContact CD2-O 3.35Å; H59-D86 WeakPolarHBondContact NE2-CA 3.39Å; H59-H87 AromaticContact CD2-CD2 3.65Å; H59-H87 AromaticContact CE1-CD2 3.47Å; H59-H87 PolarHBondContact CE1-CD2 2.87Å; H59-H87 VanDerWaalsContact CE1-CD2 3.47Å; H59-H87 AromaticContact CE1-CG 3.97Å; H59-H87 AromaticContact CG-CD2 3.9Å; H59-H87 AromaticContact ND1-CD2 3.78Å; H59-H87 AromaticContact NE2-CD2 3.39Å; H59-H87 PolarHBondContact NE2-CD2 2.8Å; H59-H87 AromaticContact NE2-CG 3.67Å; H59-H87 PolarHBondContact NE2-N 2.81Å; H59-H87 PolarHBondContact O-CD2 2.91Å; H59-H87 PolarHBondContact O-NE2 2.63Å; H59-H90 AromaticContact CE1-CD2 3.83Å; H59-H90 AromaticContact CE1-CG 3.69Å; H59-G134 WeakPolarHBondContact O-CA 3.16Å; H59-G134 PolarHBondContact O-N 3.35Å
60	G	98	Very high	98.3	Very high	2 Å²	2	22.9 Å²	22.9	2%	0.021	12%	0.124	C	C	.	.			trans	-80	178.6	179	0	0	0	0	0	114.7	E63	G60-E63 PolarHBondContact N-OE1 2.95Å; G60-E63 VanDerWaalsContact O-CG 3.3Å; G60-E63 WeakPolarHBondContact O-CG 3.4Å
61	A	97.6	Very high	98.4	Very high	26 Å²	26	17 Å²	17	22%	0.215	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	136.9	179.3	0	0	0	0	0	111.2	E63 M98 M133 F219	A61-E63 PolarHBondContact O-N 3.25Å; A61-E63 VanDerWaalsContact O-N 3.14Å; A61-M98 HydrophobicContact CB-CE 4.13Å; A61-M133 HydrophobicContact CB-CB 4.07Å; A61-M133 HydrophobicContact CB-CE 4.26Å; A61-M133 HydrophobicContact CB-SD 3.76Å; A61-F219 HydrophobicContact CB-CE1 4.12Å; A61-F219 HydrophobicContact CB-CZ 4.48Å
62	G	95.8	Very high	98.5	Very high	2 Å²	2	16.6 Å²	16.6	2%	0.021	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	-16.8	176.7	0	0	0	0	0	115.5	H90 M98 I210 C211	G62-H90 PolarHBondContact N-CD2 2.9Å; G62-H90 PolarHBondContact N-NE2 2.92Å; G62-M98 VanDerWaalsContact CA-SD 3.6Å; G62-I210 CarbonylContact O-C 3.53Å; G62-I210 VanDerWaalsContact O-CA 3.31Å; G62-I210 WeakPolarHBondContact O-CA 3.44Å; G62-I210 WeakPolarHBondContact O-CG2 3.48Å; G62-C211 PolarHBondContact O-N 2.75Å
63	E	98.1	Very high	98.5	Very high	8 Å²	8	16.3 Å²	16.3	4%	0.037	9%	0.085	C	C	.	.			trans	-96.5	-164.3	173.4	63.2	167.1	-160.3	0	0	112.7	H59 G60 A61 Y68 H90 H131	H59-E63 HydrophobicContact CB-CG 4.16Å; H59-E63 PolarHBondContact CE1-O 3.38Å; H59-E63 PolarHBondContact ND1-O 3.48Å; G60-E63 PolarHBondContact N-OE1 2.95Å; G60-E63 VanDerWaalsContact O-CG 3.3Å; G60-E63 WeakPolarHBondContact O-CG 3.4Å; A61-E63 PolarHBondContact O-N 3.25Å; A61-E63 VanDerWaalsContact O-N 3.14Å; E63-Y68 WeakPolarHBondContact OE1-CE2 3.18Å; E63-Y68 PolarHBondContact OE1-OH 3.33Å; E63-H90 PolarHBondContact O-CD2 2.85Å; E63-H131 IonicContact OE1-CD2 3.96Å
64	H	98.9	Very high	98.5	Very high	8 Å²	8	17.8 Å²	17.8	4%	0.037	9%	0.093	C	C	.	.			trans	-155.8	168.3	-175	73.8	98.7	0	0	0	111.2	G66 R67 D86 D207 L209	H64-G66 PolarHBondContact ND1-N 3.43Å; H64-G66 VanDerWaalsContact ND1-N 3.19Å; H64-G66 PolarHBondContact O-N 3.39Å; H64-G66 VanDerWaalsContact O-N 3.15Å; H64-R67 PolarHBondContact O-N 2.98Å; H64-D86 WeakPolarHBondContact CB-OD1 3.44Å; H64-D207 IonicContact CD2-OD2 3.14Å; H64-D207 IonicContact NE2-OD1 2.71Å; H64-D207 IonicContact NE2-OD2 3.2Å; H64-D207 PolarHBondContact NE2-OD2 2.85Å; H64-L209 VanDerWaalsContact CD2-CB 3.47Å; H64-L209 WeakPolarHBondContact CD2-CB 3.47Å; H64-L209 VanDerWaalsContact CE1-CD1 3.44Å; H64-L209 WeakPolarHBondContact CE1-CD1 3.39Å
65	C	98.6	Very high	98.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-66.2	-19.7	-170.5	79.1	0	0	0	0	114.4	R67 Y68 A84 D86	C65-R67 PolarHBondContact O-N 3.37Å; C65-Y68 PolarHBondContact O-N 2.89Å; C65-A84 HydrophobicContact CB-CB 3.7Å; C65-D86 WeakPolarHBondContact CB-OD1 3.45Å; C65-D86 PolarHBondContact N-OD1 3.04Å; C65-D86 PolarHBondContact SG-OD1 3.19Å
66	G	98.6	Very high	98.5	Very high	17 Å²	17	20.5 Å²	20.5	18%	0.175	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-66.6	-21	179.9	0	0	0	0	0	113.7	H64 Y68 E69	H64-G66 PolarHBondContact ND1-N 3.43Å; H64-G66 VanDerWaalsContact ND1-N 3.19Å; H64-G66 PolarHBondContact O-N 3.39Å; H64-G66 VanDerWaalsContact O-N 3.15Å; G66-Y68 PolarHBondContact O-N 2.84Å; G66-E69 PolarHBondContact O-N 2.87Å
67	R	98.6	Very high	98.4	Very high	20 Å²	20	23.3 Å²	23.3	8%	0.075	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-70.3	-11.1	177.6	-62.4	-155.6	68.1	81.4	-0.5	114.3	H64 C65 D207	H64-R67 PolarHBondContact O-N 2.98Å; C65-R67 PolarHBondContact O-N 3.37Å; R67-D207 IonicContact NH1-OD2 2.73Å; R67-D207 PolarHBondContact NH1-OD2 3.3Å
68	Y	98.8	Very high	98.4	Very high	1 Å²	1	24.7 Å²	24.7	0%	0.004	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-98.3	9	-177.1	-65.5	-97.2	0	0	0	113.3	V57 H59 E63 C65 G66 E70 L71 A72 L129 H131	V57-Y68 HydrophobicContact CG1-CD1 3.41Å; V57-Y68 VanDerWaalsContact CG1-CD1 3.41Å; V57-Y68 HydrophobicContact CG1-CD2 4.03Å; V57-Y68 HydrophobicContact CG1-CE1 3.97Å; V57-Y68 HydrophobicContact CG1-CG 3.45Å; V57-Y68 VanDerWaalsContact CG1-CG 3.45Å; H59-Y68 HydrophobicContact CB-CD2 4.26Å; H59-Y68 HydrophobicContact CB-CE2 3.46Å; H59-Y68 VanDerWaalsContact CB-CE2 3.46Å; E63-Y68 WeakPolarHBondContact OE1-CE2 3.18Å; E63-Y68 PolarHBondContact OE1-OH 3.33Å; C65-Y68 PolarHBondContact O-N 2.89Å; G66-Y68 PolarHBondContact O-N 2.84Å; Y68-E70 PolarHBondContact O-N 3.41Å; Y68-L71 PolarHBondContact O-N 2.92Å; Y68-L71 VanDerWaalsContact O-N 3.13Å; Y68-A72 WeakPolarHBondContact O-CB 3.41Å; Y68-A72 PolarHBondContact O-N 3.3Å; Y68-L129 HydrophobicContact CD1-CD2 4.25Å; Y68-L129 HydrophobicContact CE1-CD2 4.16Å; Y68-H131 HydrophobicContact CE1-CB 4.37Å; Y68-H131 WeakPolarHBondContact OH-CB 3.38Å
69	E	98.7	Very high	98.3	Very high	54 Å²	54	27.4 Å²	27.4	25%	0.252	16%	0.157	S	C	.	.	H	α-helix	trans	-49.5	-53.4	-174.4	-173.9	60.9	-139.8	0	0	113.4	R43 W45 G66 L71 A72 Q73	R43-E69 IonicContact NH1-OE2 3.62Å; R43-E69 PolarHBondContact NH1-OE2 2.86Å; W45-E69 WeakPolarHBondContact CZ2-OE2 3.49Å; W45-E69 PolarHBondContact NE1-OE1 3.2Å; W45-E69 PolarHBondContact NE1-OE2 3.23Å; G66-E69 PolarHBondContact O-N 2.87Å; E69-L71 VanDerWaalsContact C-N 3.33Å; E69-L71 PolarHBondContact O-N 2.89Å; E69-A72 PolarHBondContact O-N 3.23Å; E69-Q73 WeakPolarHBondContact O-CB 3.41Å; E69-Q73 VanDerWaalsContact O-CG 3.31Å; E69-Q73 WeakPolarHBondContact O-CG 3.48Å; E69-Q73 PolarHBondContact O-N 2.97Å; E69-Q73 PolarHBondContact OE1-NE2 3.34Å
70	E	98.6	Very high	98.3	Very high	101 Å²	101	27.4 Å²	27.4	47%	0.472	16%	0.157	S	C	.	.	H	α-helix	trans	-64.1	-39	-178.4	-64.1	170.6	136.5	0	0	112.3	Y68 Q73 M74 K283 F293	Y68-E70 PolarHBondContact O-N 3.41Å; E70-Q73 PolarHBondContact O-N 3.44Å; E70-M74 PolarHBondContact O-N 2.97Å; E70-M74 VanDerWaalsContact O-N 3.07Å; E70-K283 IonicContact OE2-NZ 3.81Å; E70-K283 PolarHBondContact OE2-NZ 3.28Å; E70-F293 HydrophobicContact CB-CE1 3.98Å; E70-F293 HydrophobicContact CB-CZ 3.9Å
71	L	98.6	Very high	98.4	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.016	16%	0.157	C	C	.	.	H	α-helix	trans	-71.9	-39	-179.5	-164.2	144.1	0	0	0	110.8	Y68 E69 M74 L75 L129 I155 H282 F293 I296	Y68-L71 PolarHBondContact O-N 2.92Å; Y68-L71 VanDerWaalsContact O-N 3.13Å; E69-L71 VanDerWaalsContact C-N 3.33Å; E69-L71 PolarHBondContact O-N 2.89Å; L71-M74 PolarHBondContact O-N 3.03Å; L71-L75 HydrophobicContact CD2-CD1 3.59Å; L71-L75 HydrophobicContact CD2-CG 4.31Å; L71-L75 WeakPolarHBondContact O-CG 3.35Å; L71-L75 PolarHBondContact O-N 2.99Å; L71-L129 HydrophobicContact CD2-CD1 3.34Å; L71-L129 HydrophobicContact CD2-CD2 4.24Å; L71-L129 HydrophobicContact CD2-CG 4.45Å; L71-I155 HydrophobicContact CD1-CD1 4.2Å; L71-H282 HydrophobicContact CD1-CB 4.15Å; L71-F293 HydrophobicContact CB-CE1 4.27Å; L71-F293 HydrophobicContact CB-CZ 3.99Å; L71-F293 HydrophobicContact CD1-CE2 4.26Å; L71-F293 HydrophobicContact CD1-CZ 4.47Å; L71-F293 HydrophobicContact CG-CZ 4.49Å; L71-I296 HydrophobicContact CD1-CD1 3.88Å
72	A	98.7	Very high	98.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-66.3	-40.4	174.3	0	0	0	0	0	111.9	W45 Y68 E69 M74 L75 M76 V82	W45-A72 HydrophobicContact CD2-CB 3.45Å; W45-A72 VanDerWaalsContact CD2-CB 3.45Å; W45-A72 VanDerWaalsContact CE2-CB 3.48Å; W45-A72 HydrophobicContact CE3-CB 3.75Å; W45-A72 HydrophobicContact CG-CB 3.83Å; W45-A72 HydrophobicContact CH2-CB 4.01Å; W45-A72 HydrophobicContact CZ2-CB 3.73Å; W45-A72 HydrophobicContact CZ3-CB 4.05Å; Y68-A72 WeakPolarHBondContact O-CB 3.41Å; Y68-A72 PolarHBondContact O-N 3.3Å; E69-A72 PolarHBondContact O-N 3.23Å; A72-M74 VanDerWaalsContact C-N 3.34Å; A72-M74 PolarHBondContact O-N 2.87Å; A72-L75 PolarHBondContact O-N 3.48Å; A72-M76 VanDerWaalsContact O-CB 3.29Å; A72-M76 WeakPolarHBondContact O-CB 3.44Å; A72-M76 PolarHBondContact O-N 2.96Å; A72-V82 HydrophobicContact CB-CB 4.3Å; A72-V82 HydrophobicContact CB-CG1 3.82Å; A72-V82 HydrophobicContact CB-CG2 4.48Å; A72-V82 WeakPolarHBondContact O-CG2 3.39Å
73	Q	98.7	Very high	98.6	Very high	98 Å²	98	26.1 Å²	26.1	46%	0.458	15%	0.146	S	C	.	.	H	α-helix	trans	-61.9	-41.6	174.1	-74.7	-179.7	12.9	0	0	112	E69 E70 M76 G77	E69-Q73 WeakPolarHBondContact O-CB 3.41Å; E69-Q73 VanDerWaalsContact O-CG 3.31Å; E69-Q73 WeakPolarHBondContact O-CG 3.48Å; E69-Q73 PolarHBondContact O-N 2.97Å; E69-Q73 PolarHBondContact OE1-NE2 3.34Å; E70-Q73 PolarHBondContact O-N 3.44Å; Q73-M76 PolarHBondContact O-N 3.43Å; Q73-G77 PolarHBondContact O-N 3.44Å
74	M	98.8	Very high	98.6	Very high	32 Å²	32	25.7 Å²	25.7	16%	0.158	14%	0.144	C	C	.	.	H	α-helix	trans	-61.3	-46.8	175.1	-179.1	-80.3	-70.3	0	0	111.7	E70 L71 A72 G77 L78 F293 I296 N297	E70-M74 PolarHBondContact O-N 2.97Å; E70-M74 VanDerWaalsContact O-N 3.07Å; L71-M74 PolarHBondContact O-N 3.03Å; A72-M74 VanDerWaalsContact C-N 3.34Å; A72-M74 PolarHBondContact O-N 2.87Å; M74-G77 PolarHBondContact O-N 3.23Å; M74-G77 VanDerWaalsContact O-N 3.17Å; M74-L78 PolarHBondContact O-N 2.93Å; M74-L78 HydrophobicContact SD-CD1 4.1Å; M74-F293 HydrophobicContact CB-CD1 4.23Å; M74-F293 HydrophobicContact CB-CE1 4.49Å; M74-F293 HydrophobicContact CG-CD1 4.36Å; M74-I296 HydrophobicContact CE-CB 4.16Å; M74-I296 HydrophobicContact CE-CG2 3.89Å; M74-N297 HydrophobicContact CE-CB 4.23Å; M74-N297 HydrophobicContact SD-CB 3.64Å; M74-N297 PolarHBondContact SD-ND2 3.39Å; M74-N297 VanDerWaalsContact SD-ND2 3.4Å
75	L	98.8	Very high	98.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.6	-38.7	177.8	-70.8	168	0	0	0	112.5	I55 L71 A72 G77 L78 L80 V82 L129 I296 V300	I55-L75 HydrophobicContact CD1-CD1 4Å; I55-L75 HydrophobicContact CD1-CD2 4.31Å; I55-L75 HydrophobicContact CG2-CD1 4.13Å; L71-L75 HydrophobicContact CD2-CD1 3.59Å; L71-L75 HydrophobicContact CD2-CG 4.31Å; L71-L75 WeakPolarHBondContact O-CG 3.35Å; L71-L75 PolarHBondContact O-N 2.99Å; A72-L75 PolarHBondContact O-N 3.48Å; L75-G77 PolarHBondContact O-N 3.45Å; L75-L78 WeakPolarHBondContact O-CB 3.46Å; L75-L78 PolarHBondContact O-N 3.43Å; L75-L80 PolarHBondContact O-N 2.85Å; L75-V82 HydrophobicContact CB-CG2 3.59Å; L75-V82 HydrophobicContact CD1-CG2 4.41Å; L75-L129 HydrophobicContact CD1-CD1 4.22Å; L75-I296 HydrophobicContact CD2-CG2 4.09Å; L75-V300 HydrophobicContact CD2-CB 4.47Å; L75-V300 HydrophobicContact CD2-CG1 4.29Å; L75-V300 HydrophobicContact CD2-CG2 4.16Å
76	M	98.5	Very high	98.6	Very high	57 Å²	57	25.3 Å²	25.3	28%	0.281	14%	0.142	S	C	.	.	H	α-helix	trans	-61	-37	172.9	-178.3	-169.8	66.3	0	0	111.2	W45 P47 A72 Q73 L78 D79 L80 V82	W45-M76 HydrophobicContact CB-CB 4.27Å; W45-M76 HydrophobicContact CB-CG 4.45Å; W45-M76 HydrophobicContact CB-SD 3.97Å; P47-M76 HydrophobicContact CB-CG 4.22Å; A72-M76 VanDerWaalsContact O-CB 3.29Å; A72-M76 WeakPolarHBondContact O-CB 3.44Å; A72-M76 PolarHBondContact O-N 2.96Å; Q73-M76 PolarHBondContact O-N 3.43Å; M76-L78 PolarHBondContact O-N 2.88Å; M76-D79 WeakPolarHBondContact O-CA 3.5Å; M76-D79 PolarHBondContact O-N 2.62Å; M76-L80 WeakPolarHBondContact CA-O 3.21Å; M76-V82 HydrophobicContact CB-CG2 4.49Å
77	G	98	Very high	98.7	Very high	60 Å²	60	24.6 Å²	24.6	62%	0.619	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-12.3	173	0	0	0	0	0	114.8	Q73 M74 L75 D79	Q73-G77 PolarHBondContact O-N 3.44Å; M74-G77 PolarHBondContact O-N 3.23Å; M74-G77 VanDerWaalsContact O-N 3.17Å; L75-G77 PolarHBondContact O-N 3.45Å; G77-D79 VanDerWaalsContact C-N 3.33Å
78	L	97.8	Very high	98.7	Very high	28 Å²	28	23.9 Å²	23.9	15%	0.147	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	11.8	170.5	-61.9	178.2	0	0	0	112.9	M74 L75 M76 L80 N297 V300 S301	M74-L78 PolarHBondContact O-N 2.93Å; M74-L78 HydrophobicContact SD-CD1 4.1Å; L75-L78 WeakPolarHBondContact O-CB 3.46Å; L75-L78 PolarHBondContact O-N 3.43Å; M76-L78 PolarHBondContact O-N 2.88Å; L78-L80 VanDerWaalsContact C-N 3.35Å; L78-L80 HydrophobicContact CB-CD1 3.64Å; L78-L80 WeakPolarHBondContact O-CD1 3.23Å; L78-N297 HydrophobicContact CD1-CB 4.42Å; L78-V300 HydrophobicContact CD1-CG1 4.43Å; L78-S301 WeakPolarHBondContact CD1-OG 3.4Å; L78-S301 WeakPolarHBondContact CD2-OG 3.41Å
79	D	98.2	Very high	98.6	Very high	58 Å²	58	23.8 Å²	23.8	31%	0.31	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	31.7	-173.2	-52.2	-55.5	0	0	0	114	P51 K52 M76 G77	P51-D79 CarbonylContact C-O 3.38Å; P51-D79 VanDerWaalsContact CA-O 3.27Å; P51-D79 WeakPolarHBondContact CA-O 3.27Å; K52-D79 HydrophobicContact CD-CB 3.97Å; K52-D79 WeakPolarHBondContact CE-OD2 3.41Å; K52-D79 HydrophobicContact CG-CB 4.02Å; K52-D79 PolarHBondContact N-O 3.42Å; K52-D79 IonicContact NZ-OD2 3.13Å; K52-D79 PolarHBondContact NZ-OD2 2.98Å; M76-D79 WeakPolarHBondContact O-CA 3.5Å; M76-D79 PolarHBondContact O-N 2.62Å; G77-D79 VanDerWaalsContact C-N 3.33Å
80	L	98.7	Very high	98.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	141.6	168.7	-75.1	75	0	0	0	110.2	P47 A53 I55 L75 M76 L78 V82 V300 T304	P47-L80 WeakPolarHBondContact CD-O 3.38Å; A53-L80 HydrophobicContact CB-CD2 4.26Å; A53-L80 HydrophobicContact CB-CG 4.07Å; A53-L80 WeakPolarHBondContact O-CA 3.21Å; I55-L80 HydrophobicContact CB-CD2 4.03Å; I55-L80 HydrophobicContact CG2-CB 4.12Å; I55-L80 HydrophobicContact CG2-CD2 3.81Å; L75-L80 PolarHBondContact O-N 2.85Å; M76-L80 WeakPolarHBondContact CA-O 3.21Å; L78-L80 VanDerWaalsContact C-N 3.35Å; L78-L80 HydrophobicContact CB-CD1 3.64Å; L78-L80 WeakPolarHBondContact O-CD1 3.23Å; L80-V82 PolarHBondContact O-N 2.97Å; L80-V300 HydrophobicContact CD1-CG1 4.1Å; L80-V300 HydrophobicContact CD2-CG1 3.61Å; L80-T304 HydrophobicContact CD1-CG2 4.14Å; L80-T304 HydrophobicContact CD2-CG2 4.4Å; L80-T304 HydrophobicContact CG-CG2 4.47Å
81	L	98.8	Very high	98.7	Very high	3 Å²	3	16.7 Å²	16.7	2%	0.016	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	110.3	163.2	-171.4	166.2	0	0	0	107.7	K46 P51 A53 L54 I55 F83 M117 Y121	K46-L81 HydrophobicContact CG-CD1 4.38Å; P51-L81 HydrophobicContact CB-CB 3.89Å; P51-L81 HydrophobicContact CG-CB 3.79Å; P51-L81 HydrophobicContact CG-CD1 4.22Å; A53-L81 PolarHBondContact O-N 3.05Å; L54-L81 WeakPolarHBondContact CA-O 3.2Å; L54-L81 HydrophobicContact CD2-CB 3.77Å; L54-L81 HydrophobicContact CD2-CD1 4.24Å; L54-L81 HydrophobicContact CD2-CD2 4.44Å; L54-L81 HydrophobicContact CD2-CG 4.37Å; I55-L81 PolarHBondContact N-O 3.31Å; L81-F83 HydrophobicContact CD2-CB 4.01Å; L81-F83 HydrophobicContact CD2-CD1 4.14Å; L81-F83 HydrophobicContact CD2-CG 4.45Å; L81-M117 HydrophobicContact CD1-CE 3.84Å; L81-M117 HydrophobicContact CD2-CE 3.45Å; L81-M117 VanDerWaalsContact CD2-CE 3.45Å; L81-M117 HydrophobicContact CG-CE 4.33Å; L81-Y121 HydrophobicContact CD1-CD2 4.12Å; L81-Y121 HydrophobicContact CD1-CE1 3.87Å; L81-Y121 HydrophobicContact CD1-CE2 3.44Å; L81-Y121 VanDerWaalsContact CD1-CE2 3.44Å; L81-Y121 WeakPolarHBondContact CD1-OH 3.23Å
82	V	98.9	Very high	98.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	132.4	175.7	-169.7	0	0	0	0	108.7	Y44 W45 I55 V57 A72 L75 M76 L80	Y44-V82 WeakPolarHBondContact CA-O 3.37Å; W45-V82 HydrophobicContact CB-CB 4.15Å; W45-V82 HydrophobicContact CE3-CB 3.99Å; W45-V82 HydrophobicContact CE3-CG1 3.85Å; W45-V82 HydrophobicContact CZ3-CG1 4.18Å; W45-V82 PolarHBondContact N-O 2.77Å; W45-V82 PolarHBondContact O-N 2.96Å; I55-V82 HydrophobicContact CG2-CB 4.09Å; I55-V82 HydrophobicContact CG2-CG1 4.09Å; I55-V82 HydrophobicContact CG2-CG2 3.7Å; I55-V82 WeakPolarHBondContact O-CA 3.2Å; V57-V82 HydrophobicContact CG2-CG1 3.56Å; A72-V82 HydrophobicContact CB-CB 4.3Å; A72-V82 HydrophobicContact CB-CG1 3.82Å; A72-V82 HydrophobicContact CB-CG2 4.48Å; A72-V82 WeakPolarHBondContact O-CG2 3.39Å; L75-V82 HydrophobicContact CB-CG2 3.59Å; L75-V82 HydrophobicContact CD1-CG2 4.41Å; M76-V82 HydrophobicContact CB-CG2 4.49Å; L80-V82 PolarHBondContact O-N 2.97Å
83	F	98.9	Very high	98.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	150	176.7	67.5	-72.4	0	0	0	110.6	R43 Y44 L54 I55 F56 V57 L81 H113 V114 M117	R43-F83 CarbonylContact O-C 3.5Å; R43-F83 WeakPolarHBondContact O-CA 3.47Å; Y44-F83 HydrophobicContact CD1-CB 3.56Å; Y44-F83 HydrophobicContact CE1-CB 3.83Å; L54-F83 HydrophobicContact CB-CD1 4.42Å; L54-F83 HydrophobicContact CB-CE1 3.81Å; I55-F83 VanDerWaalsContact O-CD1 3.32Å; I55-F83 WeakPolarHBondContact O-CD1 3.5Å; I55-F83 PolarHBondContact O-N 2.73Å; F56-F83 CarbonylContact C-O 3.45Å; F56-F83 VanDerWaalsContact CA-O 3.27Å; F56-F83 WeakPolarHBondContact CA-O 3.34Å; F56-F83 HydrophobicContact CB-CE1 4.02Å; F56-F83 HydrophobicContact CB-CE2 4Å; F56-F83 HydrophobicContact CB-CZ 3.69Å; F56-F83 AromaticContact CD2-CD2 3.68Å; F56-F83 HydrophobicContact CD2-CD2 3.68Å; F56-F83 AromaticContact CD2-CE2 3.52Å; F56-F83 HydrophobicContact CD2-CE2 3.52Å; F56-F83 HydrophobicContact CD2-CG 4.44Å; F56-F83 HydrophobicContact CD2-CZ 4.14Å; F56-F83 HydrophobicContact CE2-CD2 4.47Å; F56-F83 HydrophobicContact CE2-CE2 4.49Å; F56-F83 HydrophobicContact CG-CE2 4.21Å; F56-F83 HydrophobicContact CG-CZ 4.39Å; V57-F83 PolarHBondContact N-O 2.79Å; L81-F83 HydrophobicContact CD2-CB 4.01Å; L81-F83 HydrophobicContact CD2-CD1 4.14Å; L81-F83 HydrophobicContact CD2-CG 4.45Å; F83-H113 AromaticContact CD2-CD2 3.85Å; F83-H113 AromaticContact CD2-CE1 3.88Å; F83-H113 AromaticContact CD2-NE2 3.76Å; F83-V114 HydrophobicContact CE2-CG2 4.21Å; F83-V114 HydrophobicContact CZ-CG2 3.97Å; F83-M117 HydrophobicContact CD1-CG 4.44Å; F83-M117 HydrophobicContact CD2-CB 4.46Å; F83-M117 HydrophobicContact CD2-CG 3.59Å; F83-M117 HydrophobicContact CE2-CB 4.1Å; F83-M117 HydrophobicContact CE2-CG 3.64Å; F83-M117 HydrophobicContact CG-CG 4.01Å; F83-M117 HydrophobicContact CZ-CB 4.13Å; F83-M117 HydrophobicContact CZ-CG 4.13Å
84	A	98.9	Very high	98.7	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	162.2	-178.4	0	0	0	0	0	110	C42 R43 W45 V57 C65 H113	C42-A84 CarbonylContact C-O 3.59Å; C42-A84 WeakPolarHBondContact CA-O 3.29Å; R43-A84 PolarHBondContact N-O 2.75Å; R43-A84 PolarHBondContact O-N 2.71Å; W45-A84 HydrophobicContact CZ3-CB 4.07Å; V57-A84 HydrophobicContact CB-CB 4.15Å; V57-A84 WeakPolarHBondContact O-CB 3.43Å; C65-A84 HydrophobicContact CB-CB 3.7Å; A84-H113 PolarHBondContact O-CE1 3.12Å
85	H	98.9	Very high	98.6	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	159.8	160	55.5	-128.5	0	0	0	110.1	L40 F41 F56 H59 H87 D109 H113	L40-H85 HydrophobicContact CB-CB 4.35Å; F41-H85 CarbonylContact O-C 3.58Å; F41-H85 WeakPolarHBondContact O-CA 3.41Å; F41-H85 WeakPolarHBondContact O-CB 3.38Å; F56-H85 AromaticContact CE2-CE1 3.9Å; F56-H85 AromaticContact CE2-ND1 3.9Å; F56-H85 AromaticContact CZ-CE1 3.72Å; F56-H85 AromaticContact CZ-NE2 3.66Å; H59-H85 PolarHBondContact CD2-O 3.35Å; H85-H87 AromaticContact CD2-ND1 3.8Å; H85-H87 AromaticContact NE2-CE1 3.88Å; H85-H87 AromaticContact NE2-ND1 3.55Å; H85-D109 PolarHBondContact CE1-O 2.99Å; H85-H113 AromaticContact CG-ND1 3.81Å; H85-H113 AromaticContact ND1-CG 3.75Å; H85-H113 AromaticContact ND1-ND1 3.08Å; H85-H113 PolarHBondContact ND1-ND1 3.25Å
86	D	98.9	Very high	98.6	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.117	C	C	.	.	P	Polyproline II helix	trans	-73.3	124	162.3	-69.5	-13.8	0	0	0	107.6	F41 H59 H64 C65 G91 Q92 S93	F41-D86 HydrophobicContact CB-CB 4.41Å; F41-D86 WeakPolarHBondContact CD1-OD2 3.42Å; F41-D86 PolarHBondContact O-N 2.61Å; H59-D86 WeakPolarHBondContact NE2-CA 3.39Å; H64-D86 WeakPolarHBondContact CB-OD1 3.44Å; C65-D86 WeakPolarHBondContact CB-OD1 3.45Å; C65-D86 PolarHBondContact N-OD1 3.04Å; C65-D86 PolarHBondContact SG-OD1 3.19Å; D86-G91 WeakPolarHBondContact OD2-CA 3.37Å; D86-Q92 PolarHBondContact OD2-N 2.8Å; D86-S93 VanDerWaalsContact CB-OG 3.23Å; D86-S93 WeakPolarHBondContact CB-OG 3.29Å; D86-S93 WeakPolarHBondContact O-CB 3.34Å; D86-S93 PolarHBondContact O-OG 3.42Å
87	H	98.9	Very high	98.6	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	12%	0.116	C	C	.	.	P	Polyproline II helix	trans	-56.8	152.1	175.2	-70	-50.3	0	0	0	110.3	S58 H59 H85 G89 H90 F106	S58-H87 PolarHBondContact OG-NE2 2.93Å; S58-H87 VanDerWaalsContact OG-NE2 3.15Å; H59-H87 AromaticContact CD2-CD2 3.65Å; H59-H87 AromaticContact CE1-CD2 3.47Å; H59-H87 PolarHBondContact CE1-CD2 2.87Å; H59-H87 VanDerWaalsContact CE1-CD2 3.47Å; H59-H87 AromaticContact CE1-CG 3.97Å; H59-H87 AromaticContact CG-CD2 3.9Å; H59-H87 AromaticContact ND1-CD2 3.78Å; H59-H87 AromaticContact NE2-CD2 3.39Å; H59-H87 PolarHBondContact NE2-CD2 2.8Å; H59-H87 AromaticContact NE2-CG 3.67Å; H59-H87 PolarHBondContact NE2-N 2.81Å; H59-H87 PolarHBondContact O-CD2 2.91Å; H59-H87 PolarHBondContact O-NE2 2.63Å; H85-H87 AromaticContact CD2-ND1 3.8Å; H85-H87 AromaticContact NE2-CE1 3.88Å; H85-H87 AromaticContact NE2-ND1 3.55Å; H87-G89 PolarHBondContact O-N 3.42Å; H87-H90 VanDerWaalsContact O-CB 3.27Å; H87-H90 WeakPolarHBondContact O-CB 3.39Å; H87-H90 PolarHBondContact O-N 3.11Å; H87-F106 HydrophobicContact CB-CD1 3.74Å; H87-F106 HydrophobicContact CB-CE1 3.76Å
88	V	98.8	Very high	98.5	Very high	5 Å²	5	17.4 Å²	17.4	3%	0.03	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	137.6	176	64.4	0	0	0	0	110.9	Q38 L40 H90 V100 V105 F106	Q38-V88 VanDerWaalsContact OE1-CG2 3.31Å; L40-V88 HydrophobicContact CD2-CB 4.09Å; V88-H90 VanDerWaalsContact C-N 3.28Å; V88-H90 PolarHBondContact O-N 3.11Å; V88-H90 PolarHBondContact O-ND1 3.28Å; V88-V100 HydrophobicContact CG1-CG2 4.09Å; V88-V105 HydrophobicContact CG1-CG1 3.78Å; V88-F106 HydrophobicContact CG1-CD1 3.96Å; V88-F106 HydrophobicContact CG1-CE1 3.48Å; V88-F106 VanDerWaalsContact CG1-CE1 3.48Å; V88-F106 HydrophobicContact CG1-CZ 4.35Å
89	G	98.5	Very high	98.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	9.1	-176.5	0	0	0	0	0	114.8	H87 E94 E96 R97 M98	H87-G89 PolarHBondContact O-N 3.42Å; G89-E94 PolarHBondContact N-O 3.41Å; G89-E96 VanDerWaalsContact CA-O 3.25Å; G89-E96 WeakPolarHBondContact CA-O 3.41Å; G89-R97 VanDerWaalsContact C-CZ 3.44Å; G89-R97 WeakPolarHBondContact O-CA 3.45Å; G89-R97 PolarHBondContact O-NE 3.28Å; G89-M98 PolarHBondContact O-N 3.49Å
90	H	98.8	Very high	98.4	Very high	3 Å²	3	15.2 Å²	15.2	1%	0.014	8%	0.08	C	C	.	.	S	Bend	trans	-125.1	159.1	-179.1	-63.2	74.7	0	0	0	112.5	H59 G62 E63 H87 V88 Q92 S93 R97	H59-H90 AromaticContact CE1-CD2 3.83Å; H59-H90 AromaticContact CE1-CG 3.69Å; G62-H90 PolarHBondContact N-CD2 2.9Å; G62-H90 PolarHBondContact N-NE2 2.92Å; E63-H90 PolarHBondContact O-CD2 2.85Å; H87-H90 VanDerWaalsContact O-CB 3.27Å; H87-H90 WeakPolarHBondContact O-CB 3.39Å; H87-H90 PolarHBondContact O-N 3.11Å; V88-H90 VanDerWaalsContact C-N 3.28Å; V88-H90 PolarHBondContact O-N 3.11Å; V88-H90 PolarHBondContact O-ND1 3.28Å; H90-Q92 PolarHBondContact O-N 3.01Å; H90-S93 WeakPolarHBondContact O-CB 3.38Å; H90-S93 PolarHBondContact O-N 3.41Å; H90-R97 PolarHBondContact O-NH1 2.99Å; H90-R97 VanDerWaalsContact O-NH1 3.13Å
91	G	98.6	Very high	98.2	Very high	2 Å²	2	19.9 Å²	19.9	2%	0.021	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	42.3	-120.1	174.5	0	0	0	0	0	114.4	Q22 D86 R97	Q22-G91 PolarHBondContact NE2-O 2.85Å; D86-G91 WeakPolarHBondContact OD2-CA 3.37Å; G91-R97 PolarHBondContact O-NH1 3.47Å
92	Q	98.8	Very high	98.2	Very high	20 Å²	20	22 Å²	22	9%	0.093	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-6.4	-178.8	-64.3	178.3	99.6	0	0	113.8	T20 P21 Y26 F41 D86 H90 L209	T20-Q92 VanDerWaalsContact CB-O 3.31Å; T20-Q92 WeakPolarHBondContact CB-O 3.33Å; T20-Q92 HydrophobicContact CG2-CB 4.06Å; T20-Q92 WeakPolarHBondContact CG2-O 3.5Å; P21-Q92 VanDerWaalsContact CD-O 3.24Å; P21-Q92 WeakPolarHBondContact CD-O 3.48Å; Y26-Q92 PolarHBondContact OH-O 3.02Å; F41-Q92 HydrophobicContact CB-CB 3.65Å; F41-Q92 HydrophobicContact CD1-CB 4.21Å; F41-Q92 HydrophobicContact CD2-CB 4.11Å; F41-Q92 VanDerWaalsContact CE2-NE2 3.33Å; F41-Q92 HydrophobicContact CG-CB 3.71Å; D86-Q92 PolarHBondContact OD2-N 2.8Å; H90-Q92 PolarHBondContact O-N 3.01Å; Q92-L209 HydrophobicContact CG-CD1 4.08Å; Q92-L209 HydrophobicContact CG-CD2 3.79Å
93	S	98.9	Very high	98.2	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	-71	158.6	175.3	-70.2	0	0	0	0	112.3	P21 Y26 L40 F41 D86 H90 R97	P21-S93 WeakPolarHBondContact CD-O 3.33Å; P21-S93 VanDerWaalsContact CG-O 3.27Å; P21-S93 WeakPolarHBondContact CG-O 3.36Å; Y26-S93 VanDerWaalsContact OH-CA 3.24Å; Y26-S93 WeakPolarHBondContact OH-CA 3.12Å; L40-S93 WeakPolarHBondContact CA-OG 3.4Å; F41-S93 PolarHBondContact N-OG 2.65Å; D86-S93 VanDerWaalsContact CB-OG 3.23Å; D86-S93 WeakPolarHBondContact CB-OG 3.29Å; D86-S93 WeakPolarHBondContact O-CB 3.34Å; D86-S93 PolarHBondContact O-OG 3.42Å; H90-S93 WeakPolarHBondContact O-CB 3.38Å; H90-S93 PolarHBondContact O-N 3.41Å; S93-R97 PolarHBondContact O-NH1 2.97Å; S93-R97 PolarHBondContact O-NH2 2.97Å
94	E	98.8	Very high	98.2	Very high	30 Å²	30	25.7 Å²	25.7	14%	0.14	14%	0.14	C	C	.	.			trans	-71.6	178.6	173.2	-76	-177.9	154.3	0	0	112.8	R18 Y26 Q38 Y39 G89 R97	R18-E94 IonicContact CZ-OE1 3.72Å; R18-E94 VanDerWaalsContact CZ-OE1 3.32Å; R18-E94 IonicContact CZ-OE2 3.06Å; R18-E94 IonicContact NE-OE1 3.3Å; R18-E94 PolarHBondContact NE-OE1 3.3Å; R18-E94 IonicContact NE-OE2 3.67Å; R18-E94 VanDerWaalsContact NH2-CD 3.25Å; R18-E94 IonicContact NH2-OE1 2.85Å; R18-E94 PolarHBondContact NH2-OE1 3.49Å; R18-E94 VanDerWaalsContact NH2-OE1 3.11Å; R18-E94 IonicContact NH2-OE2 3.74Å; R18-E94 PolarHBondContact NH2-OE2 3.39Å; Y26-E94 HydrophobicContact CE2-CG 3.8Å; Y26-E94 PolarHBondContact OH-N 3.08Å; Q38-E94 WeakPolarHBondContact CA-OE2 3.32Å; Q38-E94 HydrophobicContact CB-CB 4.32Å; Y39-E94 PolarHBondContact N-OE2 2.95Å; Y39-E94 PolarHBondContact O-N 3.08Å; G89-E94 PolarHBondContact N-O 3.41Å; E94-R97 PolarHBondContact O-NH2 3.07Å
95	G	98.1	Very high	98.2	Very high	28 Å²	28	26.1 Å²	26.1	29%	0.289	14%	0.143	S	C	.	.	S	Bend	trans	100.6	155.1	-179.4	0	0	0	0	0	112.9	R97	G95-R97 PolarHBondContact O-N 3.32Å; G95-R97 PolarHBondContact O-NE 2.97Å; G95-R97 PolarHBondContact O-NH2 3.26Å
96	E	97.6	Very high	98.2	Very high	105 Å²	105	26.1 Å²	26.1	49%	0.491	14%	0.143	S	C	.	.	S	Bend	trans	-61.4	136.7	174.2	-175.9	177.7	169.6	0	0	110.2	G89 M98 V99 K216	G89-E96 VanDerWaalsContact CA-O 3.25Å; G89-E96 WeakPolarHBondContact CA-O 3.41Å; E96-M98 PolarHBondContact O-N 3.32Å; E96-V99 HydrophobicContact CB-CB 4.14Å; E96-V99 HydrophobicContact CB-CG2 4.42Å; E96-V99 HydrophobicContact CG-CB 4.24Å; E96-V99 HydrophobicContact CG-CG2 3.96Å; E96-V99 PolarHBondContact O-N 2.92Å; E96-K216 IonicContact OE1-NZ 2.95Å; E96-K216 PolarHBondContact OE1-NZ 3.06Å
97	R	97.6	Very high	98.2	Very high	68 Å²	68	26.3 Å²	26.3	26%	0.257	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	126.2	-172.6	-63.9	-59.7	85.7	175.9	0.2	111.6	G89 H90 G91 S93 E94 G95 V99	G89-R97 VanDerWaalsContact C-CZ 3.44Å; G89-R97 WeakPolarHBondContact O-CA 3.45Å; G89-R97 PolarHBondContact O-NE 3.28Å; H90-R97 PolarHBondContact O-NH1 2.99Å; H90-R97 VanDerWaalsContact O-NH1 3.13Å; G91-R97 PolarHBondContact O-NH1 3.47Å; S93-R97 PolarHBondContact O-NH1 2.97Å; S93-R97 PolarHBondContact O-NH2 2.97Å; E94-R97 PolarHBondContact O-NH2 3.07Å; G95-R97 PolarHBondContact O-N 3.32Å; G95-R97 PolarHBondContact O-NE 2.97Å; G95-R97 PolarHBondContact O-NH2 3.26Å; R97-V99 VanDerWaalsContact C-N 3.26Å; R97-V99 PolarHBondContact O-N 3.2Å
98	M	96.1	Very high	98.2	Very high	14 Å²	14	29.3 Å²	29.3	7%	0.069	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	45.8	-178.3	-64.2	-173.8	69.1	0	0	113.2	A61 G62 G89 E96 C211 L215 F219	A61-M98 HydrophobicContact CB-CE 4.13Å; G62-M98 VanDerWaalsContact CA-SD 3.6Å; G89-M98 PolarHBondContact O-N 3.49Å; E96-M98 PolarHBondContact O-N 3.32Å; M98-C211 HydrophobicContact CG-CB 3.79Å; M98-C211 HydrophobicContact SD-CB 3.68Å; M98-L215 HydrophobicContact CE-CD1 3.9Å; M98-F219 HydrophobicContact CB-CD1 4.25Å; M98-F219 HydrophobicContact CB-CE1 4.37Å; M98-F219 HydrophobicContact CE-CD1 4Å; M98-F219 HydrophobicContact CE-CE1 3.68Å; M98-F219 WeakPolarHBondContact O-CB 3.3Å; M98-F219 WeakPolarHBondContact O-CD2 3.35Å; M98-F219 WeakPolarHBondContact O-CG 3.46Å
99	V	96.3	Very high	98.2	Very high	28 Å²	28	29.1 Å²	29.1	17%	0.17	16%	0.155	C	C	.	.			trans	-132.7	141.1	171.5	177.3	0	0	0	0	108.4	E96 R97 K216	E96-V99 HydrophobicContact CB-CB 4.14Å; E96-V99 HydrophobicContact CB-CG2 4.42Å; E96-V99 HydrophobicContact CG-CB 4.24Å; E96-V99 HydrophobicContact CG-CG2 3.96Å; E96-V99 PolarHBondContact O-N 2.92Å; R97-V99 VanDerWaalsContact C-N 3.26Å; R97-V99 PolarHBondContact O-N 3.2Å; V99-K216 HydrophobicContact CG2-CD 3.53Å
100	V	97.8	Very high	98.2	Very high	13 Å²	13	29.2 Å²	29.2	8%	0.079	16%	0.155	C	C	.	.			trans	-143.4	144.7	174	72.6	0	0	0	0	109	V88 D102 V105 F106 F219 Q222	V88-V100 HydrophobicContact CG1-CG2 4.09Å; V100-D102 WeakPolarHBondContact CG2-O 3.47Å; V100-V105 HydrophobicContact CG2-CB 3.66Å; V100-V105 HydrophobicContact CG2-CG1 4.03Å; V100-V105 HydrophobicContact CG2-CG2 4.13Å; V100-F106 HydrophobicContact CB-CE1 4.45Å; V100-F106 HydrophobicContact CB-CE2 3.94Å; V100-F106 HydrophobicContact CB-CZ 3.69Å; V100-F106 HydrophobicContact CG1-CE2 3.68Å; V100-F106 HydrophobicContact CG1-CZ 3.94Å; V100-F106 HydrophobicContact CG2-CE1 4.22Å; V100-F106 HydrophobicContact CG2-CE2 4.04Å; V100-F106 HydrophobicContact CG2-CZ 3.86Å; V100-F219 HydrophobicContact CG1-CD2 4.08Å; V100-F219 HydrophobicContact CG1-CE2 4.05Å; V100-Q222 HydrophobicContact CG1-CB 3.9Å; V100-Q222 HydrophobicContact CG1-CG 3.77Å
101	S	95.9	Very high	98.2	Very high	97 Å²	97	29.4 Å²	29.4	68%	0.678	16%	0.156	S	C	*	.	S	Bend	trans	-65.3	-47.5	179.6	51.2	0	0	0	0	111.7	V105 Q222	S101-V105 WeakPolarHBondContact OG-CG2 3.42Å; S101-Q222 PolarHBondContact O-NE2 3.34Å
102	D	98.1	Very high	98.2	Very high	49 Å²	49	32.4 Å²	32.4	26%	0.262	17%	0.17	S	C	.	.			trans	-145.3	143.1	171.8	-177	-95.5	0	0	0	109.7	V100 H104 V105 R229	V100-D102 WeakPolarHBondContact CG2-O 3.47Å; D102-H104 PolarHBondContact O-N 2.85Å; D102-H104 WeakPolarHBondContact OD1-CB 3.38Å; D102-H104 PolarHBondContact OD1-N 3.39Å; D102-V105 WeakPolarHBondContact O-CB 3.27Å; D102-V105 WeakPolarHBondContact O-CG2 3.33Å; D102-V105 PolarHBondContact O-N 3.38Å; D102-R229 IonicContact OD1-CZ 3.18Å; D102-R229 VanDerWaalsContact OD1-CZ 3.3Å; D102-R229 IonicContact OD1-NH1 3.92Å; D102-R229 PolarHBondContact OD1-NH1 2.97Å; D102-R229 IonicContact OD1-NH2 2.85Å; D102-R229 PolarHBondContact OD1-NH2 3.47Å; D102-R229 IonicContact OD2-CZ 3.72Å; D102-R229 IonicContact OD2-NH1 3.54Å; D102-R229 IonicContact OD2-NH2 2.69Å; D102-R229 PolarHBondContact OD2-NH2 2.97Å
103	F	98.6	Very high	98.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-24.4	-179	-163.8	-94.1	0	0	0	113.9	V105 F106 M133 A136 I137 L140 Q222 L223 A226	F103-V105 PolarHBondContact O-N 3.08Å; F103-F106 AromaticContact CD2-CD2 3.89Å; F103-F106 HydrophobicContact CD2-CD2 3.89Å; F103-F106 HydrophobicContact CD2-CE2 4.05Å; F103-F106 AromaticContact CE2-CD2 3.93Å; F103-F106 HydrophobicContact CE2-CD2 3.93Å; F103-F106 HydrophobicContact CE2-CE2 4.15Å; F103-F106 HydrophobicContact CG-CD2 4.29Å; F103-F106 HydrophobicContact CZ-CD2 4.36Å; F103-F106 PolarHBondContact O-N 3.37Å; F103-M133 HydrophobicContact CE2-CG 3.7Å; F103-M133 HydrophobicContact CE2-SD 4.04Å; F103-M133 HydrophobicContact CZ-CG 3.78Å; F103-A136 HydrophobicContact CE1-CB 4.5Å; F103-A136 HydrophobicContact CZ-CB 4.32Å; F103-I137 HydrophobicContact CE1-CG1 3.74Å; F103-I137 HydrophobicContact CZ-CD1 4.27Å; F103-I137 HydrophobicContact CZ-CG1 3.63Å; F103-L140 HydrophobicContact CD1-CD1 3.89Å; F103-L140 HydrophobicContact CE1-CD1 3.86Å; F103-Q222 HydrophobicContact CB-CB 4.4Å; F103-Q222 HydrophobicContact CD2-CB 4.41Å; F103-Q222 WeakPolarHBondContact CD2-O 3.39Å; F103-L223 HydrophobicContact CE2-CD2 4.18Å; F103-A226 HydrophobicContact CD1-CB 3.58Å; F103-A226 HydrophobicContact CD2-CB 3.72Å; F103-A226 HydrophobicContact CE1-CB 3.45Å; F103-A226 VanDerWaalsContact CE1-CB 3.45Å; F103-A226 HydrophobicContact CE2-CB 3.59Å; F103-A226 HydrophobicContact CG-CB 3.71Å; F103-A226 HydrophobicContact CZ-CB 3.44Å; F103-A226 VanDerWaalsContact CZ-CB 3.44Å
104	H	98.7	Very high	98.2	Very high	76 Å²	76	31.6 Å²	31.6	35%	0.352	17%	0.166	S	C	.	.	H	α-helix	trans	-65.6	-22.2	178.1	-164.7	-40.8	0	0	0	112.3	D102 F106 V107 R108 E144 R229	D102-H104 PolarHBondContact O-N 2.85Å; D102-H104 WeakPolarHBondContact OD1-CB 3.38Å; D102-H104 PolarHBondContact OD1-N 3.39Å; H104-F106 PolarHBondContact O-N 2.98Å; H104-V107 PolarHBondContact O-N 2.79Å; H104-R108 WeakPolarHBondContact O-CB 3.4Å; H104-R108 PolarHBondContact O-N 2.9Å; H104-E144 IonicContact CE1-OE1 2.72Å; H104-E144 IonicContact CE1-OE2 3.33Å; H104-E144 PolarHBondContact CE1-OE2 3.39Å; H104-E144 IonicContact NE2-OE1 3.92Å; H104-E144 IonicContact NE2-OE2 3.32Å; H104-E144 PolarHBondContact NE2-OE2 3.11Å; H104-R229 VanDerWaalsContact N-NH1 3.14Å
105	V	98.9	Very high	98.2	Very high	10 Å²	10	33.1 Å²	33.1	6%	0.061	18%	0.175	C	C	.	.	H	α-helix	trans	-53	-43.5	175.2	169.2	0	0	0	0	110.7	V88 V100 S101 D102 F103 V107 R108 D109	V88-V105 HydrophobicContact CG1-CG1 3.78Å; V100-V105 HydrophobicContact CG2-CB 3.66Å; V100-V105 HydrophobicContact CG2-CG1 4.03Å; V100-V105 HydrophobicContact CG2-CG2 4.13Å; S101-V105 WeakPolarHBondContact OG-CG2 3.42Å; D102-V105 WeakPolarHBondContact O-CB 3.27Å; D102-V105 WeakPolarHBondContact O-CG2 3.33Å; D102-V105 PolarHBondContact O-N 3.38Å; F103-V105 PolarHBondContact O-N 3.08Å; V105-V107 PolarHBondContact O-N 3.06Å; V105-R108 PolarHBondContact O-N 2.81Å; V105-D109 WeakPolarHBondContact O-CB 3.3Å; V105-D109 PolarHBondContact O-N 3.36Å
106	F	98.9	Very high	98.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.6	-46	176	-57.8	-53.1	0	0	0	112.5	H87 V88 V100 F103 H104 R108 D109 V110 M133 I137 F219	H87-F106 HydrophobicContact CB-CD1 3.74Å; H87-F106 HydrophobicContact CB-CE1 3.76Å; V88-F106 HydrophobicContact CG1-CD1 3.96Å; V88-F106 HydrophobicContact CG1-CE1 3.48Å; V88-F106 VanDerWaalsContact CG1-CE1 3.48Å; V88-F106 HydrophobicContact CG1-CZ 4.35Å; V100-F106 HydrophobicContact CB-CE1 4.45Å; V100-F106 HydrophobicContact CB-CE2 3.94Å; V100-F106 HydrophobicContact CB-CZ 3.69Å; V100-F106 HydrophobicContact CG1-CE2 3.68Å; V100-F106 HydrophobicContact CG1-CZ 3.94Å; V100-F106 HydrophobicContact CG2-CE1 4.22Å; V100-F106 HydrophobicContact CG2-CE2 4.04Å; V100-F106 HydrophobicContact CG2-CZ 3.86Å; F103-F106 AromaticContact CD2-CD2 3.89Å; F103-F106 HydrophobicContact CD2-CD2 3.89Å; F103-F106 HydrophobicContact CD2-CE2 4.05Å; F103-F106 AromaticContact CE2-CD2 3.93Å; F103-F106 HydrophobicContact CE2-CD2 3.93Å; F103-F106 HydrophobicContact CE2-CE2 4.15Å; F103-F106 HydrophobicContact CG-CD2 4.29Å; F103-F106 HydrophobicContact CZ-CD2 4.36Å; F103-F106 PolarHBondContact O-N 3.37Å; H104-F106 PolarHBondContact O-N 2.98Å; F106-R108 PolarHBondContact O-N 3.28Å; F106-D109 PolarHBondContact O-N 2.97Å; F106-V110 VanDerWaalsContact O-CG2 3.29Å; F106-V110 WeakPolarHBondContact O-CG2 3.46Å; F106-V110 PolarHBondContact O-N 3.41Å; F106-M133 HydrophobicContact CE2-CE 4.48Å; F106-M133 HydrophobicContact CE2-SD 4.3Å; F106-I137 HydrophobicContact CB-CD1 3.57Å; F106-I137 HydrophobicContact CB-CG1 3.82Å; F106-I137 HydrophobicContact CB-CG2 4.31Å; F106-I137 HydrophobicContact CD2-CD1 4.09Å; F106-I137 HydrophobicContact CG-CD1 3.88Å; F106-I137 HydrophobicContact CG-CG1 4.48Å; F106-F219 HydrophobicContact CE2-CE2 4.06Å; F106-F219 AromaticContact CZ-CE2 3.98Å; F106-F219 HydrophobicContact CZ-CE2 3.98Å
107	V	98.9	Very high	98.3	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.018	16%	0.162	C	C	.	.	H	α-helix	trans	-62	-44.8	179.2	177.5	0	0	0	0	111.1	H104 V105 D109 V110 L111 I137 L140 E144	H104-V107 PolarHBondContact O-N 2.79Å; V105-V107 PolarHBondContact O-N 3.06Å; V107-D109 PolarHBondContact O-N 2.81Å; V107-V110 PolarHBondContact O-N 3.5Å; V107-L111 HydrophobicContact CG1-CD1 4.28Å; V107-L111 WeakPolarHBondContact O-CG 3.31Å; V107-L111 PolarHBondContact O-N 3.21Å; V107-I137 HydrophobicContact CG2-CG2 4.37Å; V107-L140 HydrophobicContact CG2-CB 3.69Å; V107-L140 HydrophobicContact CG2-CD1 4.21Å; V107-E144 WeakPolarHBondContact CG1-OE2 3.49Å
108	R	98.9	Very high	98.3	Very high	64 Å²	64	29.3 Å²	29.3	24%	0.242	16%	0.16	C	C	.	.	H	α-helix	trans	-59.5	-47.3	177.5	-179.7	-162.8	67.6	-169.9	-2	110.8	D36 H104 V105 F106 L111 Q112	D36-R108 VanDerWaalsContact CG-NH2 3.32Å; D36-R108 IonicContact OD1-CZ 2.7Å; D36-R108 IonicContact OD1-NH1 3.74Å; D36-R108 PolarHBondContact OD1-NH1 2.81Å; D36-R108 IonicContact OD1-NH2 2.57Å; D36-R108 IonicContact OD2-CZ 2.77Å; D36-R108 IonicContact OD2-NH1 2.74Å; D36-R108 PolarHBondContact OD2-NH1 3.06Å; D36-R108 IonicContact OD2-NH2 3.8Å; D36-R108 PolarHBondContact OD2-NH2 3.45Å; H104-R108 WeakPolarHBondContact O-CB 3.4Å; H104-R108 PolarHBondContact O-N 2.9Å; V105-R108 PolarHBondContact O-N 2.81Å; F106-R108 PolarHBondContact O-N 3.28Å; R108-L111 PolarHBondContact O-N 3.01Å; R108-Q112 PolarHBondContact O-N 3.48Å
109	D	98.9	Very high	98.4	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.011	19%	0.192	C	C	.	.	H	α-helix	trans	-70.3	-34.9	-176.2	-65.6	1.9	0	0	0	111.1	N34 L40 H85 V105 F106 V107 Q112 H113	N34-D109 WeakPolarHBondContact CB-OD2 3.42Å; N34-D109 PolarHBondContact ND2-OD2 3.25Å; L40-D109 HydrophobicContact CD1-CB 3.89Å; H85-D109 PolarHBondContact CE1-O 2.99Å; V105-D109 WeakPolarHBondContact O-CB 3.3Å; V105-D109 PolarHBondContact O-N 3.36Å; F106-D109 PolarHBondContact O-N 2.97Å; V107-D109 PolarHBondContact O-N 2.81Å; D109-Q112 PolarHBondContact O-N 3.16Å; D109-H113 PolarHBondContact O-N 3.33Å
110	V	98.9	Very high	98.5	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	21%	0.211	C	C	.	.	H	α-helix	trans	-60.9	-48.1	169.4	171.6	0	0	0	0	111.1	F56 F106 V107 Q112 H113 V114 I137 T141	F56-V110 HydrophobicContact CD1-CG1 3.74Å; F56-V110 HydrophobicContact CD1-CG2 4.29Å; F56-V110 HydrophobicContact CE1-CB 4.19Å; F56-V110 HydrophobicContact CE1-CG1 3.73Å; F56-V110 HydrophobicContact CE1-CG2 3.42Å; F56-V110 VanDerWaalsContact CE1-CG2 3.42Å; F56-V110 HydrophobicContact CG-CG1 4.28Å; F56-V110 HydrophobicContact CZ-CB 4.4Å; F56-V110 HydrophobicContact CZ-CG1 4.25Å; F56-V110 HydrophobicContact CZ-CG2 3.64Å; F106-V110 VanDerWaalsContact O-CG2 3.29Å; F106-V110 WeakPolarHBondContact O-CG2 3.46Å; F106-V110 PolarHBondContact O-N 3.41Å; V107-V110 PolarHBondContact O-N 3.5Å; V110-Q112 VanDerWaalsContact C-N 3.32Å; V110-Q112 PolarHBondContact O-N 2.81Å; V110-H113 PolarHBondContact O-N 3.3Å; V110-V114 HydrophobicContact CG1-CG2 4.22Å; V110-V114 WeakPolarHBondContact O-CB 3.31Å; V110-V114 VanDerWaalsContact O-CG2 3.29Å; V110-V114 WeakPolarHBondContact O-CG2 3.48Å; V110-V114 PolarHBondContact O-N 3.25Å; V110-I137 HydrophobicContact CG2-CG2 3.75Å; V110-T141 HydrophobicContact CG1-CG2 3.9Å
111	L	98.9	Very high	98.5	Very high	7 Å²	7	42.2 Å²	42.2	4%	0.037	22%	0.216	C	C	.	.	H	α-helix	trans	-61.2	-40.5	177.7	-72.7	173.1	0	0	0	111.9	V107 R108 H113 V114 D115 T141 E144 R145 F149	V107-L111 HydrophobicContact CG1-CD1 4.28Å; V107-L111 WeakPolarHBondContact O-CG 3.31Å; V107-L111 PolarHBondContact O-N 3.21Å; R108-L111 PolarHBondContact O-N 3.01Å; L111-H113 VanDerWaalsContact C-N 3.34Å; L111-H113 PolarHBondContact O-N 3.08Å; L111-V114 PolarHBondContact O-N 2.95Å; L111-D115 WeakPolarHBondContact O-CB 3.39Å; L111-D115 PolarHBondContact O-N 2.89Å; L111-T141 HydrophobicContact CD2-CG2 3.63Å; L111-T141 HydrophobicContact CG-CG2 4.04Å; L111-E144 HydrophobicContact CD1-CG 4.23Å; L111-E144 WeakPolarHBondContact CD1-OE1 3.29Å; L111-R145 HydrophobicContact CD2-CG 4.12Å; L111-F149 HydrophobicContact CD2-CZ 4.17Å
112	Q	98.9	Very high	98.6	Very high	66 Å²	66	42.6 Å²	42.6	31%	0.308	22%	0.216	S	C	.	.	H	α-helix	trans	-58.8	-45.8	174.7	-180	-176.6	-9.8	0	0	111.7	V33 R108 D109 V110 D115 S116	V33-Q112 PolarHBondContact O-NE2 3.04Å; R108-Q112 PolarHBondContact O-N 3.48Å; D109-Q112 PolarHBondContact O-N 3.16Å; V110-Q112 VanDerWaalsContact C-N 3.32Å; V110-Q112 PolarHBondContact O-N 2.81Å; Q112-D115 PolarHBondContact O-N 2.95Å; Q112-S116 PolarHBondContact O-N 3.4Å; Q112-S116 VanDerWaalsContact O-N 3.08Å
113	H	98.9	Very high	98.5	Very high	3 Å²	3	44.3 Å²	44.3	1%	0.014	25%	0.246	C	C	.	.	H	α-helix	trans	-68.1	-42.5	-179.9	-160.4	175.7	0	0	0	111.4	L32 Y44 F56 F83 A84 H85 D109 V110 L111 S116 M117	L32-H113 HydrophobicContact CD2-CB 3.73Å; Y44-H113 AromaticContact CE1-NE2 3.56Å; Y44-H113 AromaticContact CZ-NE2 3.64Å; Y44-H113 PolarHBondContact OH-NE2 3.1Å; Y44-H113 VanDerWaalsContact OH-NE2 3.08Å; F56-H113 AromaticContact CE2-ND1 3.83Å; F83-H113 AromaticContact CD2-CD2 3.85Å; F83-H113 AromaticContact CD2-CE1 3.88Å; F83-H113 AromaticContact CD2-NE2 3.76Å; A84-H113 PolarHBondContact O-CE1 3.12Å; H85-H113 AromaticContact CG-ND1 3.81Å; H85-H113 AromaticContact ND1-CG 3.75Å; H85-H113 AromaticContact ND1-ND1 3.08Å; H85-H113 PolarHBondContact ND1-ND1 3.25Å; D109-H113 PolarHBondContact O-N 3.33Å; V110-H113 PolarHBondContact O-N 3.3Å; L111-H113 VanDerWaalsContact C-N 3.34Å; L111-H113 PolarHBondContact O-N 3.08Å; H113-S116 PolarHBondContact O-N 2.98Å; H113-M117 WeakPolarHBondContact O-CG 3.23Å; H113-M117 PolarHBondContact O-N 2.96Å
114	V	98.9	Very high	98.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-58.6	-48.1	174.4	167.1	0	0	0	0	111.1	F56 F83 V110 L111 S116 M117 Q118 V126 F149	F56-V114 HydrophobicContact CB-CG2 4.38Å; F83-V114 HydrophobicContact CE2-CG2 4.21Å; F83-V114 HydrophobicContact CZ-CG2 3.97Å; V110-V114 HydrophobicContact CG1-CG2 4.22Å; V110-V114 WeakPolarHBondContact O-CB 3.31Å; V110-V114 VanDerWaalsContact O-CG2 3.29Å; V110-V114 WeakPolarHBondContact O-CG2 3.48Å; V110-V114 PolarHBondContact O-N 3.25Å; L111-V114 PolarHBondContact O-N 2.95Å; V114-S116 VanDerWaalsContact C-N 3.33Å; V114-S116 PolarHBondContact O-N 3.42Å; V114-M117 PolarHBondContact O-N 2.88Å; V114-Q118 HydrophobicContact CG1-CG 4.36Å; V114-Q118 WeakPolarHBondContact O-CG 3.41Å; V114-Q118 PolarHBondContact O-N 3.21Å; V114-V126 HydrophobicContact CG1-CG1 4.26Å; V114-F149 HydrophobicContact CG1-CE1 4.09Å; V114-F149 HydrophobicContact CG1-CZ 4.47Å; V114-F149 HydrophobicContact CG2-CE1 4.38Å
115	D	98.8	Very high	98.4	Very high	61 Å²	61	44 Å²	44	33%	0.326	25%	0.249	S	C	.	.	H	α-helix	trans	-62.3	-40.9	-179.2	-73.2	-14.5	0	0	0	111.9	L111 Q112 Q118 K119 R145	L111-D115 WeakPolarHBondContact O-CB 3.39Å; L111-D115 PolarHBondContact O-N 2.89Å; Q112-D115 PolarHBondContact O-N 2.95Å; D115-Q118 PolarHBondContact O-N 3.49Å; D115-K119 PolarHBondContact O-N 3.43Å; D115-K119 VanDerWaalsContact O-N 3.08Å; D115-R145 IonicContact OD1-CZ 3.4Å; D115-R145 IonicContact OD1-NH1 2.65Å; D115-R145 PolarHBondContact OD1-NH1 3.45Å; D115-R145 IonicContact OD1-NH2 3.42Å; D115-R145 PolarHBondContact OD1-NH2 3.09Å; D115-R145 IonicContact OD2-CZ 3.52Å; D115-R145 IonicContact OD2-NH1 3.46Å; D115-R145 PolarHBondContact OD2-NH1 3.3Å; D115-R145 IonicContact OD2-NH2 2.73Å; D115-R145 PolarHBondContact OD2-NH2 3.06Å
116	S	98.7	Very high	98.4	Very high	66 Å²	66	43.6 Å²	43.6	46%	0.462	25%	0.246	S	C	.	.	H	α-helix	trans	-61.4	-46.4	174.8	-168.3	0	0	0	0	111.4	Q112 H113 V114 K119 D120	Q112-S116 PolarHBondContact O-N 3.4Å; Q112-S116 VanDerWaalsContact O-N 3.08Å; H113-S116 PolarHBondContact O-N 2.98Å; V114-S116 VanDerWaalsContact C-N 3.33Å; V114-S116 PolarHBondContact O-N 3.42Å; S116-K119 WeakPolarHBondContact O-CB 3.38Å; S116-K119 PolarHBondContact O-N 3.03Å; S116-D120 PolarHBondContact O-N 2.95Å
117	M	98.7	Very high	98.4	Very high	12 Å²	12	43.6 Å²	43.6	6%	0.059	25%	0.246	C	C	.	.	H	α-helix	trans	-68.4	-37.6	-179.5	-69.6	-59	-62.5	0	0	112.5	Y44 L54 L81 F83 H113 V114 K119 D120 Y121	Y44-M117 HydrophobicContact CD1-CE 4.39Å; Y44-M117 HydrophobicContact CD1-SD 4.41Å; Y44-M117 HydrophobicContact CE1-CE 4.27Å; Y44-M117 HydrophobicContact CE1-SD 3.72Å; L54-M117 HydrophobicContact CD1-CB 4.05Å; L81-M117 HydrophobicContact CD1-CE 3.84Å; L81-M117 HydrophobicContact CD2-CE 3.45Å; L81-M117 VanDerWaalsContact CD2-CE 3.45Å; L81-M117 HydrophobicContact CG-CE 4.33Å; F83-M117 HydrophobicContact CD1-CG 4.44Å; F83-M117 HydrophobicContact CD2-CB 4.46Å; F83-M117 HydrophobicContact CD2-CG 3.59Å; F83-M117 HydrophobicContact CE2-CB 4.1Å; F83-M117 HydrophobicContact CE2-CG 3.64Å; F83-M117 HydrophobicContact CG-CG 4.01Å; F83-M117 HydrophobicContact CZ-CB 4.13Å; F83-M117 HydrophobicContact CZ-CG 4.13Å; H113-M117 WeakPolarHBondContact O-CG 3.23Å; H113-M117 PolarHBondContact O-N 2.96Å; V114-M117 PolarHBondContact O-N 2.88Å; M117-K119 VanDerWaalsContact C-N 3.28Å; M117-K119 PolarHBondContact O-N 2.77Å; M117-D120 PolarHBondContact O-N 3.02Å; M117-Y121 HydrophobicContact CE-CD2 4.02Å; M117-Y121 HydrophobicContact CE-CE2 3.84Å; M117-Y121 WeakPolarHBondContact O-CB 3.38Å; M117-Y121 WeakPolarHBondContact O-CD2 3.43Å; M117-Y121 PolarHBondContact O-N 3.41Å
118	Q	98.3	Very high	98.4	Very high	43 Å²	43	43.6 Å²	43.6	20%	0.201	25%	0.246	C	C	.	.	H	α-helix	trans	-68.5	-27.5	176.1	-73.9	-172.1	-73.4	0	0	113	L54 V114 D115 Y121 P122 V126 H148	L54-Q118 HydrophobicContact CD1-CG 4.23Å; V114-Q118 HydrophobicContact CG1-CG 4.36Å; V114-Q118 WeakPolarHBondContact O-CG 3.41Å; V114-Q118 PolarHBondContact O-N 3.21Å; D115-Q118 PolarHBondContact O-N 3.49Å; Q118-Y121 CarbonylContact O-C 3.23Å; Q118-Y121 VanDerWaalsContact O-C 3.23Å; Q118-Y121 PolarHBondContact O-N 2.74Å; Q118-P122 VanDerWaalsContact O-CA 3.31Å; Q118-P122 WeakPolarHBondContact O-CA 3.13Å; Q118-V126 HydrophobicContact CG-CG2 3.53Å; Q118-V126 VanDerWaalsContact NE2-CG2 3.33Å; Q118-H148 PolarHBondContact NE2-NE2 3.37Å; Q118-H148 PolarHBondContact OE1-CE1 3.39Å; Q118-H148 VanDerWaalsContact OE1-CE1 3.31Å; Q118-H148 PolarHBondContact OE1-NE2 2.94Å
119	K	98.1	Very high	98.4	Very high	171 Å²	171	40.5 Å²	40.5	74%	0.743	23%	0.234	S	C	*	.	H	α-helix	trans	-65.6	-41	172.6	-175.7	-177.6	175.3	-175.1	0	111.7	D115 S116 M117	D115-K119 PolarHBondContact O-N 3.43Å; D115-K119 VanDerWaalsContact O-N 3.08Å; S116-K119 WeakPolarHBondContact O-CB 3.38Å; S116-K119 PolarHBondContact O-N 3.03Å; M117-K119 VanDerWaalsContact C-N 3.28Å; M117-K119 PolarHBondContact O-N 2.77Å
120	D	97.8	Very high	98.4	Very high	108 Å²	108	40.4 Å²	40.4	58%	0.578	23%	0.234	S	C	*	.	H	α-helix	trans	-78.8	-22.8	179.3	-65.9	-16.9	0	0	0	112.5	S116 M117 P122	S116-D120 PolarHBondContact O-N 2.95Å; M117-D120 PolarHBondContact O-N 3.02Å; D120-P122 VanDerWaalsContact C-CD 3.49Å
121	Y	97.8	Very high	98.4	Very high	48 Å²	48	40.6 Å²	40.6	19%	0.188	23%	0.234	C	C	.	.	S	Bend	trans	-128.2	65	-179.9	-65.5	-88.1	0	0	0	111.7	K46 P51 L54 L81 M117 Q118 L124	K46-Y121 WeakPolarHBondContact CE-OH 3.43Å; K46-Y121 PolarHBondContact NZ-OH 3.32Å; K46-Y121 VanDerWaalsContact NZ-OH 3.07Å; P51-Y121 HydrophobicContact CG-CD1 4.34Å; P51-Y121 HydrophobicContact CG-CE1 3.98Å; L54-Y121 HydrophobicContact CD2-CD2 4.28Å; L54-Y121 HydrophobicContact CD2-CG 4.01Å; L81-Y121 HydrophobicContact CD1-CD2 4.12Å; L81-Y121 HydrophobicContact CD1-CE1 3.87Å; L81-Y121 HydrophobicContact CD1-CE2 3.44Å; L81-Y121 VanDerWaalsContact CD1-CE2 3.44Å; L81-Y121 WeakPolarHBondContact CD1-OH 3.23Å; M117-Y121 HydrophobicContact CE-CD2 4.02Å; M117-Y121 HydrophobicContact CE-CE2 3.84Å; M117-Y121 WeakPolarHBondContact O-CB 3.38Å; M117-Y121 WeakPolarHBondContact O-CD2 3.43Å; M117-Y121 PolarHBondContact O-N 3.41Å; Q118-Y121 CarbonylContact O-C 3.23Å; Q118-Y121 VanDerWaalsContact O-C 3.23Å; Q118-Y121 PolarHBondContact O-N 2.74Å; Y121-L124 HydrophobicContact CD1-CD1 4.1Å; Y121-L124 HydrophobicContact CG-CD1 4.44Å; Y121-L124 PolarHBondContact O-N 2.97Å
122	P	97.5	Very high	98.4	Very high	104 Å²	104	41.1 Å²	41.1	68%	0.675	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	141.5	-174.2	27.3	-35.3	0	0	0	111.9	Q118 D120 L124	Q118-P122 VanDerWaalsContact O-CA 3.31Å; Q118-P122 WeakPolarHBondContact O-CA 3.13Å; D120-P122 VanDerWaalsContact C-CD 3.49Å; P122-L124 PolarHBondContact O-N 3.28Å
123	G	95.7	Very high	98.4	Very high	86 Å²	86	38 Å²	38	89%	0.887	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.3	-9.9	176.6	0	0	0	0	0	115.4
124	L	97.9	Very high	98.4	Very high	38 Å²	38	37.9 Å²	37.9	20%	0.199	22%	0.223	C	C	.	.			trans	-73.1	137.8	175.4	-67	-168.3	0	0	0	111.6	P51 L54 Y121 P122	P51-L124 HydrophobicContact CB-CD1 3.95Å; P51-L124 WeakPolarHBondContact O-CD1 3.47Å; P51-L124 WeakPolarHBondContact O-CD2 3.5Å; L54-L124 HydrophobicContact CD2-CD1 4.03Å; L54-L124 HydrophobicContact CG-CB 4.29Å; L54-L124 HydrophobicContact CG-CD1 4.44Å; Y121-L124 HydrophobicContact CD1-CD1 4.1Å; Y121-L124 HydrophobicContact CG-CD1 4.44Å; Y121-L124 PolarHBondContact O-N 2.97Å; P122-L124 PolarHBondContact O-N 3.28Å
125	P	98.4	Very high	98.4	Very high	32 Å²	32	37.9 Å²	37.9	21%	0.208	22%	0.223	C	C	.	.			trans	-63.7	145.8	171	26	-32	0	0	0	110.4	A53 L54 F127 A150 A307	A53-P125 WeakPolarHBondContact CA-O 3.35Å; A53-P125 HydrophobicContact CB-CG 3.75Å; A53-P125 WeakPolarHBondContact CB-O 3.36Å; L54-P125 PolarHBondContact N-O 2.88Å; P125-F127 HydrophobicContact CB-CE2 4.35Å; P125-A150 HydrophobicContact CB-CB 3.68Å; P125-A307 HydrophobicContact CG-CB 3.92Å
126	V	98.8	Very high	98.4	Very high	1 Å²	1	35 Å²	35	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127.8	179.4	-173.3	0	0	0	0	110.5	L54 V114 Q118 F149 A150	L54-V126 HydrophobicContact CB-CG1 4.3Å; L54-V126 HydrophobicContact CB-CG2 4.1Å; L54-V126 HydrophobicContact CD1-CG2 3.96Å; L54-V126 HydrophobicContact CG-CG2 4.32Å; L54-V126 WeakPolarHBondContact O-CA 3.5Å; V114-V126 HydrophobicContact CG1-CG1 4.26Å; Q118-V126 HydrophobicContact CG-CG2 3.53Å; Q118-V126 VanDerWaalsContact NE2-CG2 3.33Å; V126-F149 HydrophobicContact CB-CD1 4.34Å; V126-F149 HydrophobicContact CG1-CD1 4.19Å; V126-F149 HydrophobicContact CG1-CE1 4.24Å; V126-F149 WeakPolarHBondContact O-CA 3.42Å; V126-A150 PolarHBondContact O-N 3.19Å
127	F	98.9	Very high	98.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	158.9	173.7	-66.8	-97.5	0	0	0	110.8	A53 L54 I55 F56 P125 A150 G151 W299 R303 T304	A53-F127 HydrophobicContact CB-CD2 4Å; A53-F127 HydrophobicContact CB-CE2 3.87Å; L54-F127 PolarHBondContact O-N 2.87Å; I55-F127 WeakPolarHBondContact CA-O 3.38Å; I55-F127 HydrophobicContact CB-CB 3.99Å; I55-F127 HydrophobicContact CD1-CB 3.78Å; I55-F127 HydrophobicContact CG1-CB 3.73Å; F56-F127 PolarHBondContact N-O 3.3Å; P125-F127 HydrophobicContact CB-CE2 4.35Å; F127-A150 HydrophobicContact CD1-CB 4.37Å; F127-A150 HydrophobicContact CD2-CB 4.2Å; F127-A150 HydrophobicContact CE1-CB 3.95Å; F127-A150 HydrophobicContact CE2-CB 3.75Å; F127-A150 HydrophobicContact CG-CB 4.48Å; F127-A150 HydrophobicContact CZ-CB 3.62Å; F127-G151 VanDerWaalsContact CA-O 3.29Å; F127-G151 WeakPolarHBondContact CA-O 3.18Å; F127-W299 HydrophobicContact CD1-CZ3 4.13Å; F127-W299 HydrophobicContact CE1-CZ3 4.04Å; F127-R303 HydrophobicContact CE1-CB 4.05Å; F127-R303 HydrophobicContact CZ-CB 3.97Å; F127-T304 HydrophobicContact CE2-CG2 3.74Å; F127-T304 HydrophobicContact CZ-CG2 4.05Å
128	L	98.9	Very high	98.4	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	141.3	168.4	-57.5	174.7	0	0	0	109.2	F56 A138 T141 A142 F149 G151 M152 V153	F56-L128 HydrophobicContact CB-CD2 3.89Å; F56-L128 HydrophobicContact CD1-CD2 4.35Å; L128-A138 HydrophobicContact CB-CB 4.08Å; L128-A138 HydrophobicContact CD1-CB 4.24Å; L128-A138 WeakPolarHBondContact CD1-O 3.42Å; L128-T141 HydrophobicContact CD1-CG2 3.95Å; L128-A142 HydrophobicContact CD1-CB 4.25Å; L128-F149 HydrophobicContact CD1-CD1 3.97Å; L128-F149 HydrophobicContact CD1-CD2 4.25Å; L128-F149 HydrophobicContact CD1-CE1 4Å; L128-F149 HydrophobicContact CD1-CE2 4.28Å; L128-F149 HydrophobicContact CD1-CG 4.1Å; L128-F149 HydrophobicContact CD1-CZ 4.16Å; L128-F149 HydrophobicContact CD2-CD1 4Å; L128-F149 HydrophobicContact CD2-CE1 3.7Å; L128-F149 HydrophobicContact CD2-CZ 4.37Å; L128-F149 HydrophobicContact CG-CD1 3.73Å; L128-F149 HydrophobicContact CG-CE1 3.9Å; L128-F149 HydrophobicContact CG-CG 4.25Å; L128-G151 PolarHBondContact N-O 2.85Å; L128-M152 HydrophobicContact CB-CG 4.13Å; L128-M152 HydrophobicContact CD1-CG 4.34Å; L128-M152 HydrophobicContact CD1-SD 4.08Å; L128-M152 CarbonylContact O-C 3.58Å; L128-M152 VanDerWaalsContact O-CA 3.23Å; L128-M152 WeakPolarHBondContact O-CA 3.35Å; L128-V153 PolarHBondContact O-N 3.44Å
129	L	98.9	Very high	98.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	127.5	166.4	-175.5	149.4	0	0	0	108.5	I55 F56 V57 S58 Y68 L71 L75 V153 I155 I296	I55-L129 HydrophobicContact CD1-CB 4.12Å; I55-L129 HydrophobicContact CG1-CB 4.32Å; F56-L129 PolarHBondContact O-N 2.83Å; V57-L129 CarbonylContact C-O 3.47Å; V57-L129 WeakPolarHBondContact CA-O 3.17Å; V57-L129 HydrophobicContact CG1-CD2 4.09Å; V57-L129 HydrophobicContact CG2-CB 4.42Å; S58-L129 PolarHBondContact N-O 3.49Å; Y68-L129 HydrophobicContact CD1-CD2 4.25Å; Y68-L129 HydrophobicContact CE1-CD2 4.16Å; L71-L129 HydrophobicContact CD2-CD1 3.34Å; L71-L129 HydrophobicContact CD2-CD2 4.24Å; L71-L129 HydrophobicContact CD2-CG 4.45Å; L75-L129 HydrophobicContact CD1-CD1 4.22Å; L129-V153 CarbonylContact C-O 3.54Å; L129-V153 VanDerWaalsContact CA-O 3.27Å; L129-V153 WeakPolarHBondContact CA-O 3.27Å; L129-V153 HydrophobicContact CB-CB 4.28Å; L129-V153 HydrophobicContact CD1-CB 3.97Å; L129-V153 HydrophobicContact CD1-CG1 3.84Å; L129-V153 HydrophobicContact CG-CB 3.98Å; L129-V153 HydrophobicContact CG-CG1 4.06Å; L129-I155 HydrophobicContact CD2-CD1 4.38Å; L129-I296 HydrophobicContact CD1-CD1 4.47Å; L129-I296 HydrophobicContact CD1-CG2 4.43Å
130	G	98.9	Very high	98.4	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	138.1	-177.3	0	0	0	0	0	113.2	S58 V153 L154 I155	S58-G130 WeakPolarHBondContact O-CA 3.41Å; G130-V153 PolarHBondContact N-O 2.98Å; G130-L154 WeakPolarHBondContact O-CA 3.21Å; G130-I155 PolarHBondContact O-N 3.34Å
131	H	98.9	Very high	98.5	Very high	5 Å²	5	16.9 Å²	16.9	2%	0.023	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	139	173.2	171.4	51.5	0	0	0	111.2	S58 E63 Y68 M133 G134 G135 I155 H279 H282	S58-H131 PolarHBondContact O-N 3.35Å; E63-H131 IonicContact OE1-CD2 3.96Å; Y68-H131 HydrophobicContact CE1-CB 4.37Å; Y68-H131 WeakPolarHBondContact OH-CB 3.38Å; H131-M133 PolarHBondContact O-N 2.9Å; H131-G134 VanDerWaalsContact O-CA 3.27Å; H131-G134 WeakPolarHBondContact O-CA 3.08Å; H131-G134 PolarHBondContact O-N 3.41Å; H131-G135 PolarHBondContact O-N 2.88Å; H131-I155 WeakPolarHBondContact CA-O 3.22Å; H131-I155 HydrophobicContact CB-CB 4.33Å; H131-I155 PolarHBondContact ND1-O 3.06Å; H131-H279 AromaticContact CE1-CD2 3.66Å; H131-H279 AromaticContact CE1-CE1 3.9Å; H131-H279 AromaticContact CE1-NE2 3.5Å; H131-H279 PolarHBondContact CE1-O 2.8Å; H131-H279 AromaticContact NE2-CD2 3.81Å; H131-H279 AromaticContact NE2-NE2 3.74Å; H131-H282 AromaticContact CD2-CE1 3.73Å; H131-H282 AromaticContact CG-CE1 3.75Å
132	S	98.2	Very high	98.6	Very high	17 Å²	17	14.9 Å²	14.9	12%	0.119	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	-124.6	171.9	-166.3	0	0	0	0	111.9	G134 G135 A136 I155 S156 L158 H279	S132-G134 VanDerWaalsContact C-N 3.26Å; S132-G134 PolarHBondContact O-N 2.93Å; S132-G135 WeakPolarHBondContact O-CA 3.39Å; S132-G135 PolarHBondContact O-N 2.58Å; S132-A136 PolarHBondContact O-N 2.9Å; S132-I155 PolarHBondContact N-O 2.89Å; S132-S156 WeakPolarHBondContact CA-O 3.24Å; S132-S156 PolarHBondContact N-O 3Å; S132-L158 PolarHBondContact O-N 2.98Å; S132-H279 WeakPolarHBondContact CB-NE2 3.49Å; S132-H279 PolarHBondContact OG-CE1 3.5Å; S132-H279 PolarHBondContact OG-NE2 3.16Å
133	M	98.7	Very high	98.6	Very high	1 Å²	1	11 Å²	11	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-52.3	-41.5	170.8	-176.1	-171.9	77.2	0	0	112.8	A61 F103 F106 H131 G135 A136 I137 F219 L223	A61-M133 HydrophobicContact CB-CB 4.07Å; A61-M133 HydrophobicContact CB-CE 4.26Å; A61-M133 HydrophobicContact CB-SD 3.76Å; F103-M133 HydrophobicContact CE2-CG 3.7Å; F103-M133 HydrophobicContact CE2-SD 4.04Å; F103-M133 HydrophobicContact CZ-CG 3.78Å; F106-M133 HydrophobicContact CE2-CE 4.48Å; F106-M133 HydrophobicContact CE2-SD 4.3Å; H131-M133 PolarHBondContact O-N 2.9Å; M133-G135 PolarHBondContact O-N 2.75Å; M133-A136 WeakPolarHBondContact O-CB 3.27Å; M133-A136 PolarHBondContact O-N 2.85Å; M133-A136 VanDerWaalsContact O-N 3.08Å; M133-I137 HydrophobicContact CE-CD1 4.01Å; M133-I137 HydrophobicContact CG-CD1 4.2Å; M133-I137 WeakPolarHBondContact O-CG1 3.28Å; M133-I137 PolarHBondContact O-N 2.86Å; M133-F219 HydrophobicContact SD-CE1 4.39Å; M133-F219 HydrophobicContact SD-CZ 3.66Å; M133-L223 HydrophobicContact CB-CD2 4.45Å; M133-L223 HydrophobicContact CG-CD2 3.9Å; M133-L223 HydrophobicContact SD-CD2 3.82Å
134	G	98.9	Very high	98.7	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-62.3	-29.2	175.6	0	0	0	0	0	113.3	S58 H59 H131 S132 I137 A138	S58-G134 WeakPolarHBondContact CB-O 3.35Å; S58-G134 WeakPolarHBondContact O-CA 3.23Å; S58-G134 VanDerWaalsContact OG-CA 3.22Å; S58-G134 WeakPolarHBondContact OG-CA 3.44Å; S58-G134 PolarHBondContact OG-O 2.97Å; S58-G134 VanDerWaalsContact OG-O 3.08Å; H59-G134 WeakPolarHBondContact O-CA 3.16Å; H59-G134 PolarHBondContact O-N 3.35Å; H131-G134 VanDerWaalsContact O-CA 3.27Å; H131-G134 WeakPolarHBondContact O-CA 3.08Å; H131-G134 PolarHBondContact O-N 3.41Å; S132-G134 VanDerWaalsContact C-N 3.26Å; S132-G134 PolarHBondContact O-N 2.93Å; G134-I137 PolarHBondContact O-N 2.89Å; G134-A138 WeakPolarHBondContact O-CB 3.46Å; G134-A138 PolarHBondContact O-N 3.3Å
135	G	98.8	Very high	98.8	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-67.9	-41.3	170.2	0	0	0	0	0	112.8	H131 S132 M133 I137 A138 I139	H131-G135 PolarHBondContact O-N 2.88Å; S132-G135 WeakPolarHBondContact O-CA 3.39Å; S132-G135 PolarHBondContact O-N 2.58Å; M133-G135 PolarHBondContact O-N 2.75Å; G135-I137 VanDerWaalsContact C-N 3.34Å; G135-A138 PolarHBondContact O-N 3.31Å; G135-I139 VanDerWaalsContact O-CG1 3.31Å; G135-I139 WeakPolarHBondContact O-CG1 3.46Å; G135-I139 PolarHBondContact O-N 2.89Å
136	A	98.9	Very high	98.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62.8	-41.9	172.1	0	0	0	0	0	111.6	F103 S132 M133 I139 L140 L158 V230	F103-A136 HydrophobicContact CE1-CB 4.5Å; F103-A136 HydrophobicContact CZ-CB 4.32Å; S132-A136 PolarHBondContact O-N 2.9Å; M133-A136 WeakPolarHBondContact O-CB 3.27Å; M133-A136 PolarHBondContact O-N 2.85Å; M133-A136 VanDerWaalsContact O-N 3.08Å; A136-I139 PolarHBondContact O-N 3.48Å; A136-L140 VanDerWaalsContact O-CG 3.3Å; A136-L140 WeakPolarHBondContact O-CG 3.48Å; A136-L140 PolarHBondContact O-N 3.12Å; A136-L158 HydrophobicContact CB-CB 4.1Å; A136-L158 WeakPolarHBondContact CB-O 3.41Å; A136-V230 HydrophobicContact CB-CG2 3.91Å
137	I	98.9	Very high	98.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58.3	-50	174.2	-65.7	161.7	0	0	0	109.7	F103 F106 V107 V110 M133 G134 G135 I139 L140 T141	F103-I137 HydrophobicContact CE1-CG1 3.74Å; F103-I137 HydrophobicContact CZ-CD1 4.27Å; F103-I137 HydrophobicContact CZ-CG1 3.63Å; F106-I137 HydrophobicContact CB-CD1 3.57Å; F106-I137 HydrophobicContact CB-CG1 3.82Å; F106-I137 HydrophobicContact CB-CG2 4.31Å; F106-I137 HydrophobicContact CD2-CD1 4.09Å; F106-I137 HydrophobicContact CG-CD1 3.88Å; F106-I137 HydrophobicContact CG-CG1 4.48Å; V107-I137 HydrophobicContact CG2-CG2 4.37Å; V110-I137 HydrophobicContact CG2-CG2 3.75Å; M133-I137 HydrophobicContact CE-CD1 4.01Å; M133-I137 HydrophobicContact CG-CD1 4.2Å; M133-I137 WeakPolarHBondContact O-CG1 3.28Å; M133-I137 PolarHBondContact O-N 2.86Å; G134-I137 PolarHBondContact O-N 2.89Å; G135-I137 VanDerWaalsContact C-N 3.34Å; I137-I139 PolarHBondContact O-N 3.14Å; I137-L140 PolarHBondContact O-N 3.15Å; I137-T141 WeakPolarHBondContact O-CB 3.36Å; I137-T141 PolarHBondContact O-N 3.39Å; I137-T141 PolarHBondContact O-OG1 3.39Å
138	A	98.9	Very high	98.6	Very high	2 Å²	2	22.4 Å²	22.4	2%	0.017	14%	0.135	C	C	.	.	H	α-helix	trans	-58.3	-44.4	178.5	0	0	0	0	0	112.9	L128 G134 G135 L140 T141 A142 M152 L154	L128-A138 HydrophobicContact CB-CB 4.08Å; L128-A138 HydrophobicContact CD1-CB 4.24Å; L128-A138 WeakPolarHBondContact CD1-O 3.42Å; G134-A138 WeakPolarHBondContact O-CB 3.46Å; G134-A138 PolarHBondContact O-N 3.3Å; G135-A138 PolarHBondContact O-N 3.31Å; A138-L140 PolarHBondContact O-N 3.39Å; A138-T141 PolarHBondContact O-N 3.15Å; A138-A142 PolarHBondContact O-N 3.46Å; A138-M152 HydrophobicContact CB-SD 4.39Å; A138-M152 VanDerWaalsContact O-SD 3.39Å; A138-L154 HydrophobicContact CB-CD2 4.15Å
139	I	98.9	Very high	98.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-59.2	-47.4	176.5	-69.2	163.5	0	0	0	111	G135 A136 I137 A142 A143 M152 L154 P157 V159 V230 L234 L237 L260	G135-I139 VanDerWaalsContact O-CG1 3.31Å; G135-I139 WeakPolarHBondContact O-CG1 3.46Å; G135-I139 PolarHBondContact O-N 2.89Å; A136-I139 PolarHBondContact O-N 3.48Å; I137-I139 PolarHBondContact O-N 3.14Å; I139-A142 PolarHBondContact O-N 3.37Å; I139-A143 WeakPolarHBondContact O-CB 3.27Å; I139-A143 PolarHBondContact O-N 2.92Å; I139-M152 HydrophobicContact CG1-CE 4.18Å; I139-L154 HydrophobicContact CD1-CD1 4.04Å; I139-L154 HydrophobicContact CG1-CD1 3.91Å; I139-L154 HydrophobicContact CG1-CD2 4.22Å; I139-P157 HydrophobicContact CD1-CB 4.28Å; I139-V159 HydrophobicContact CD1-CG2 3.91Å; I139-V230 HydrophobicContact CD1-CG1 4.24Å; I139-V230 HydrophobicContact CG2-CG1 4.16Å; I139-V230 HydrophobicContact CG2-CG2 4.36Å; I139-L234 HydrophobicContact CG2-CD2 4.34Å; I139-L237 HydrophobicContact CG2-CD1 4.43Å; I139-L237 HydrophobicContact CG2-CD2 4.26Å; I139-L260 HydrophobicContact CD1-CD2 4.26Å
140	L	98.9	Very high	98.6	Very high	19 Å²	19	24.4 Å²	24.4	10%	0.099	15%	0.15	C	C	.	.	H	α-helix	trans	-67.7	-41.6	-179.4	-66.7	177.1	0	0	0	111.8	F103 V107 A136 I137 A138 A142 A143 E144 R229 V230 A233	F103-L140 HydrophobicContact CD1-CD1 3.89Å; F103-L140 HydrophobicContact CE1-CD1 3.86Å; V107-L140 HydrophobicContact CG2-CB 3.69Å; V107-L140 HydrophobicContact CG2-CD1 4.21Å; A136-L140 VanDerWaalsContact O-CG 3.3Å; A136-L140 WeakPolarHBondContact O-CG 3.48Å; A136-L140 PolarHBondContact O-N 3.12Å; I137-L140 PolarHBondContact O-N 3.15Å; A138-L140 PolarHBondContact O-N 3.39Å; L140-A142 VanDerWaalsContact C-N 3.35Å; L140-A142 PolarHBondContact O-N 3.27Å; L140-A143 PolarHBondContact O-N 3.01Å; L140-E144 WeakPolarHBondContact O-CB 3.45Å; L140-E144 PolarHBondContact O-N 2.86Å; L140-R229 HydrophobicContact CD1-CB 4.09Å; L140-R229 HydrophobicContact CD2-CB 3.75Å; L140-V230 HydrophobicContact CD1-CG2 4.36Å; L140-V230 HydrophobicContact CD2-CG2 4.05Å; L140-V230 HydrophobicContact CG-CG2 3.98Å; L140-A233 HydrophobicContact CD2-CB 4.1Å
141	T	98.9	Very high	98.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-56.2	-47.7	173.9	-62.4	0	0	0	0	111.3	V110 L111 L128 I137 A138 E144 R145 F149	V110-T141 HydrophobicContact CG1-CG2 3.9Å; L111-T141 HydrophobicContact CD2-CG2 3.63Å; L111-T141 HydrophobicContact CG-CG2 4.04Å; L128-T141 HydrophobicContact CD1-CG2 3.95Å; I137-T141 WeakPolarHBondContact O-CB 3.36Å; I137-T141 PolarHBondContact O-N 3.39Å; I137-T141 PolarHBondContact O-OG1 3.39Å; A138-T141 PolarHBondContact O-N 3.15Å; T141-E144 PolarHBondContact O-N 3.47Å; T141-R145 PolarHBondContact O-N 3.38Å; T141-F149 HydrophobicContact CG2-CE1 4.44Å; T141-F149 HydrophobicContact CG2-CE2 3.86Å; T141-F149 HydrophobicContact CG2-CZ 3.54Å
142	A	98.8	Very high	98.6	Very high	5 Å²	5	24.1 Å²	24.1	4%	0.041	15%	0.149	C	C	.	.	H	α-helix	trans	-70.1	-33.3	178.8	0	0	0	0	0	113.3	L128 A138 I139 L140 E144 R145 F149 M152 L237 V239	L128-A142 HydrophobicContact CD1-CB 4.25Å; A138-A142 PolarHBondContact O-N 3.46Å; I139-A142 PolarHBondContact O-N 3.37Å; L140-A142 VanDerWaalsContact C-N 3.35Å; L140-A142 PolarHBondContact O-N 3.27Å; A142-E144 VanDerWaalsContact C-N 3.3Å; A142-R145 CarbonylContact O-C 3.59Å; A142-R145 VanDerWaalsContact O-C 3.26Å; A142-R145 PolarHBondContact O-N 3.05Å; A142-F149 HydrophobicContact CB-CD2 3.95Å; A142-F149 HydrophobicContact CB-CE2 4.48Å; A142-M152 HydrophobicContact CB-CE 4.3Å; A142-M152 HydrophobicContact CB-CG 4.42Å; A142-M152 HydrophobicContact CB-SD 3.41Å; A142-M152 WeakPolarHBondContact CB-SD 3.45Å; A142-L237 HydrophobicContact CB-CD1 4.1Å; A142-V239 HydrophobicContact CB-CB 4.43Å; A142-V239 HydrophobicContact CB-CG1 3.78Å
143	A	98.5	Very high	98.6	Very high	22 Å²	22	23.4 Å²	23.4	18%	0.182	14%	0.143	C	C	.	.	H	α-helix	trans	-69.4	-27.9	174.8	0	0	0	0	0	113	I139 L140 A233 L237	I139-A143 WeakPolarHBondContact O-CB 3.27Å; I139-A143 PolarHBondContact O-N 2.92Å; L140-A143 PolarHBondContact O-N 3.01Å; A143-A233 HydrophobicContact CB-CB 3.75Å; A143-L237 HydrophobicContact CB-CD1 4.37Å
144	E	98.7	Very high	98.6	Very high	94 Å²	94	23.3 Å²	23.3	44%	0.439	14%	0.143	S	C	.	.	H	α-helix	trans	-76	-25.5	176.3	-167.6	168.9	147.2	0	0	112.6	H104 V107 L111 L140 T141 A142 P146	H104-E144 IonicContact CE1-OE1 2.72Å; H104-E144 IonicContact CE1-OE2 3.33Å; H104-E144 PolarHBondContact CE1-OE2 3.39Å; H104-E144 IonicContact NE2-OE1 3.92Å; H104-E144 IonicContact NE2-OE2 3.32Å; H104-E144 PolarHBondContact NE2-OE2 3.11Å; V107-E144 WeakPolarHBondContact CG1-OE2 3.49Å; L111-E144 HydrophobicContact CD1-CG 4.23Å; L111-E144 WeakPolarHBondContact CD1-OE1 3.29Å; L140-E144 WeakPolarHBondContact O-CB 3.45Å; L140-E144 PolarHBondContact O-N 2.86Å; T141-E144 PolarHBondContact O-N 3.47Å; A142-E144 VanDerWaalsContact C-N 3.3Å; E144-P146 WeakPolarHBondContact O-CD 3.44Å
145	R	98.3	Very high	98.6	Very high	76 Å²	76	23.3 Å²	23.3	29%	0.287	14%	0.143	S	C	.	.	S	Bend	trans	-123.9	74.1	172.2	-58	-159	178.9	177.7	7.6	112.5	L111 D115 T141 A142 G147 H148 F149	L111-R145 HydrophobicContact CD2-CG 4.12Å; D115-R145 IonicContact OD1-CZ 3.4Å; D115-R145 IonicContact OD1-NH1 2.65Å; D115-R145 PolarHBondContact OD1-NH1 3.45Å; D115-R145 IonicContact OD1-NH2 3.42Å; D115-R145 PolarHBondContact OD1-NH2 3.09Å; D115-R145 IonicContact OD2-CZ 3.52Å; D115-R145 IonicContact OD2-NH1 3.46Å; D115-R145 PolarHBondContact OD2-NH1 3.3Å; D115-R145 IonicContact OD2-NH2 2.73Å; D115-R145 PolarHBondContact OD2-NH2 3.06Å; T141-R145 PolarHBondContact O-N 3.38Å; A142-R145 CarbonylContact O-C 3.59Å; A142-R145 VanDerWaalsContact O-C 3.26Å; A142-R145 PolarHBondContact O-N 3.05Å; R145-G147 PolarHBondContact O-N 3.22Å; R145-H148 HydrophobicContact CB-CB 3.62Å; R145-H148 VanDerWaalsContact O-CB 3.27Å; R145-H148 WeakPolarHBondContact O-CB 3.45Å; R145-H148 PolarHBondContact O-N 3.39Å; R145-H148 VanDerWaalsContact O-N 3.13Å; R145-F149 HydrophobicContact CB-CE2 4.14Å
146	P	97.9	Very high	98.6	Very high	90 Å²	90	23.3 Å²	23.3	58%	0.584	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	128.4	179.7	-23.4	33.8	0	0	0	112	E144 H148	E144-P146 WeakPolarHBondContact O-CD 3.44Å; P146-H148 VanDerWaalsContact C-N 3.29Å; P146-H148 PolarHBondContact O-N 3.47Å
147	G	96.4	Very high	98.6	Very high	69 Å²	69	23.5 Å²	23.5	71%	0.711	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.8	0.8	179	0	0	0	0	0	115.7	R145	R145-G147 PolarHBondContact O-N 3.22Å
148	H	98.3	Very high	98.6	Very high	69 Å²	69	24.2 Å²	24.2	32%	0.319	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-40.1	-178.2	-172.9	77.6	0	0	0	113.8	Q118 R145 P146	Q118-H148 PolarHBondContact NE2-NE2 3.37Å; Q118-H148 PolarHBondContact OE1-CE1 3.39Å; Q118-H148 VanDerWaalsContact OE1-CE1 3.31Å; Q118-H148 PolarHBondContact OE1-NE2 2.94Å; R145-H148 HydrophobicContact CB-CB 3.62Å; R145-H148 VanDerWaalsContact O-CB 3.27Å; R145-H148 WeakPolarHBondContact O-CB 3.45Å; R145-H148 PolarHBondContact O-N 3.39Å; R145-H148 VanDerWaalsContact O-N 3.13Å; P146-H148 VanDerWaalsContact C-N 3.29Å; P146-H148 PolarHBondContact O-N 3.47Å
149	F	98.8	Very high	98.4	Very high	9 Å²	9	24.3 Å²	24.3	4%	0.039	15%	0.149	C	C	.	.			trans	-89.3	139.8	-175.9	-62.5	-81.2	0	0	0	111.5	L111 V114 V126 L128 T141 A142 R145 G151 V239	L111-F149 HydrophobicContact CD2-CZ 4.17Å; V114-F149 HydrophobicContact CG1-CE1 4.09Å; V114-F149 HydrophobicContact CG1-CZ 4.47Å; V114-F149 HydrophobicContact CG2-CE1 4.38Å; V126-F149 HydrophobicContact CB-CD1 4.34Å; V126-F149 HydrophobicContact CG1-CD1 4.19Å; V126-F149 HydrophobicContact CG1-CE1 4.24Å; V126-F149 WeakPolarHBondContact O-CA 3.42Å; L128-F149 HydrophobicContact CD1-CD1 3.97Å; L128-F149 HydrophobicContact CD1-CD2 4.25Å; L128-F149 HydrophobicContact CD1-CE1 4Å; L128-F149 HydrophobicContact CD1-CE2 4.28Å; L128-F149 HydrophobicContact CD1-CG 4.1Å; L128-F149 HydrophobicContact CD1-CZ 4.16Å; L128-F149 HydrophobicContact CD2-CD1 4Å; L128-F149 HydrophobicContact CD2-CE1 3.7Å; L128-F149 HydrophobicContact CD2-CZ 4.37Å; L128-F149 HydrophobicContact CG-CD1 3.73Å; L128-F149 HydrophobicContact CG-CE1 3.9Å; L128-F149 HydrophobicContact CG-CG 4.25Å; T141-F149 HydrophobicContact CG2-CE1 4.44Å; T141-F149 HydrophobicContact CG2-CE2 3.86Å; T141-F149 HydrophobicContact CG2-CZ 3.54Å; A142-F149 HydrophobicContact CB-CD2 3.95Å; A142-F149 HydrophobicContact CB-CE2 4.48Å; R145-F149 HydrophobicContact CB-CE2 4.14Å; F149-G151 VanDerWaalsContact C-N 3.34Å; F149-V239 HydrophobicContact CB-CG2 3.96Å; F149-V239 WeakPolarHBondContact O-CG2 3.5Å
150	A	98.7	Very high	97.9	Very high	34 Å²	34	26.9 Å²	26.9	28%	0.281	16%	0.162	S	C	.	.	S	Bend	trans	-75.9	-24	179.9	0	0	0	0	0	112.8	P125 V126 F127	P125-A150 HydrophobicContact CB-CB 3.68Å; V126-A150 PolarHBondContact O-N 3.19Å; F127-A150 HydrophobicContact CD1-CB 4.37Å; F127-A150 HydrophobicContact CD2-CB 4.2Å; F127-A150 HydrophobicContact CE1-CB 3.95Å; F127-A150 HydrophobicContact CE2-CB 3.75Å; F127-A150 HydrophobicContact CG-CB 4.48Å; F127-A150 HydrophobicContact CZ-CB 3.62Å
151	G	98.8	Very high	96.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.2	164.4	176.5	0	0	0	0	0	113.8	F127 L128 F149 P240	F127-G151 VanDerWaalsContact CA-O 3.29Å; F127-G151 WeakPolarHBondContact CA-O 3.18Å; L128-G151 PolarHBondContact N-O 2.85Å; F149-G151 VanDerWaalsContact C-N 3.34Å; G151-P240 CarbonylContact C-O 3.56Å; G151-P240 VanDerWaalsContact CA-O 3.23Å; G151-P240 WeakPolarHBondContact CA-O 3.47Å
152	M	98.8	Very high	95.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	138.5	173.9	-55.7	-165.7	-56.4	0	0	112.1	L128 A138 I139 A142 L154 L237 V239 P240 F241 L242	L128-M152 HydrophobicContact CB-CG 4.13Å; L128-M152 HydrophobicContact CD1-CG 4.34Å; L128-M152 HydrophobicContact CD1-SD 4.08Å; L128-M152 CarbonylContact O-C 3.58Å; L128-M152 VanDerWaalsContact O-CA 3.23Å; L128-M152 WeakPolarHBondContact O-CA 3.35Å; A138-M152 HydrophobicContact CB-SD 4.39Å; A138-M152 VanDerWaalsContact O-SD 3.39Å; I139-M152 HydrophobicContact CG1-CE 4.18Å; A142-M152 HydrophobicContact CB-CE 4.3Å; A142-M152 HydrophobicContact CB-CG 4.42Å; A142-M152 HydrophobicContact CB-SD 3.41Å; A142-M152 WeakPolarHBondContact CB-SD 3.45Å; M152-L154 HydrophobicContact CB-CG 4.45Å; M152-L154 HydrophobicContact CE-CD1 4.24Å; M152-L237 HydrophobicContact CE-CD1 4.09Å; M152-L237 HydrophobicContact CE-CD2 3.93Å; M152-L237 HydrophobicContact CE-CG 4.42Å; M152-V239 HydrophobicContact CE-CG1 3.49Å; M152-V239 VanDerWaalsContact CE-CG1 3.49Å; M152-V239 HydrophobicContact CG-CG1 3.93Å; M152-V239 HydrophobicContact CG-CG2 3.93Å; M152-V239 HydrophobicContact SD-CG1 3.88Å; M152-P240 PolarHBondContact N-O 3.17Å; M152-F241 HydrophobicContact CB-CB 4.08Å; M152-F241 HydrophobicContact CE-CB 4.49Å; M152-F241 CarbonylContact O-C 3.57Å; M152-F241 WeakPolarHBondContact O-CA 3.13Å; M152-F241 WeakPolarHBondContact O-CB 3.11Å; M152-L242 PolarHBondContact O-N 3.3Å
153	V	98.9	Very high	94.3	Very high	1 Å²	1	31 Å²	31	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	119.7	167.7	176.6	0	0	0	0	108	L128 L129 G130 I155 L242 I296 W299 V300	L128-V153 PolarHBondContact O-N 3.44Å; L129-V153 CarbonylContact C-O 3.54Å; L129-V153 VanDerWaalsContact CA-O 3.27Å; L129-V153 WeakPolarHBondContact CA-O 3.27Å; L129-V153 HydrophobicContact CB-CB 4.28Å; L129-V153 HydrophobicContact CD1-CB 3.97Å; L129-V153 HydrophobicContact CD1-CG1 3.84Å; L129-V153 HydrophobicContact CG-CB 3.98Å; L129-V153 HydrophobicContact CG-CG1 4.06Å; G130-V153 PolarHBondContact N-O 2.98Å; V153-I155 HydrophobicContact CG1-CG1 4.47Å; V153-L242 HydrophobicContact CG1-CD2 4.49Å; V153-L242 HydrophobicContact CG2-CB 4.5Å; V153-I296 HydrophobicContact CG1-CD1 3.83Å; V153-I296 HydrophobicContact CG1-CG1 3.71Å; V153-I296 HydrophobicContact CG1-CG2 4.28Å; V153-I296 HydrophobicContact CG2-CG2 4.39Å; V153-W299 HydrophobicContact CG2-CE3 4.09Å; V153-W299 HydrophobicContact CG2-CZ3 4.26Å; V153-V300 HydrophobicContact CG2-CG2 4.08Å
154	L	98.9	Very high	92.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	119.6	-175.5	-61.2	175.4	0	0	0	110	G130 A138 I139 M152 P157 L242 L243 L244 L260	G130-L154 WeakPolarHBondContact O-CA 3.21Å; A138-L154 HydrophobicContact CB-CD2 4.15Å; I139-L154 HydrophobicContact CD1-CD1 4.04Å; I139-L154 HydrophobicContact CG1-CD1 3.91Å; I139-L154 HydrophobicContact CG1-CD2 4.22Å; M152-L154 HydrophobicContact CB-CG 4.45Å; M152-L154 HydrophobicContact CE-CD1 4.24Å; L154-P157 HydrophobicContact CB-CB 4.24Å; L154-P157 HydrophobicContact CB-CG 3.99Å; L154-P157 HydrophobicContact CD1-CG 4.39Å; L154-P157 HydrophobicContact CD2-CB 4.49Å; L154-L242 PolarHBondContact N-O 3.42Å; L154-L243 HydrophobicContact CB-CD1 3.9Å; L154-L244 PolarHBondContact O-N 3.31Å; L154-L260 HydrophobicContact CD1-CD2 3.71Å
155	I	98.9	Very high	91.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	105.1	179.1	-51.6	175.8	0	0	0	108.3	L71 L129 G130 H131 S132 V153 L281 H282 I296	L71-I155 HydrophobicContact CD1-CD1 4.2Å; L129-I155 HydrophobicContact CD2-CD1 4.38Å; G130-I155 PolarHBondContact O-N 3.34Å; H131-I155 WeakPolarHBondContact CA-O 3.22Å; H131-I155 HydrophobicContact CB-CB 4.33Å; H131-I155 PolarHBondContact ND1-O 3.06Å; S132-I155 PolarHBondContact N-O 2.89Å; V153-I155 HydrophobicContact CG1-CG1 4.47Å; I155-L281 HydrophobicContact CG2-CB 3.87Å; I155-L281 HydrophobicContact CG2-CD1 4.14Å; I155-L281 HydrophobicContact CG2-CG 4.27Å; I155-H282 HydrophobicContact CD1-CB 4.3Å; I155-I296 HydrophobicContact CD1-CD1 3.95Å; I155-I296 HydrophobicContact CG1-CD1 4.48Å
156	S	98.6	Very high	89.8	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	48.3	55.3	-177.9	-46.5	0	0	0	0	112.9	S132 L244 D249 H279	S132-S156 WeakPolarHBondContact CA-O 3.24Å; S132-S156 PolarHBondContact N-O 3Å; S156-L244 PolarHBondContact N-O 2.97Å; S156-D249 WeakPolarHBondContact CB-OD2 3.49Å; S156-H279 WeakPolarHBondContact CB-O 3.38Å; S156-H279 PolarHBondContact OG-O 3.33Å
157	P	98.7	Very high	88.4	Confident	4 Å²	4	32.5 Å²	32.5	3%	0.026	21%	0.206	C	C	.	.			trans	-68.1	147.4	-172.6	31.3	-37.3	0	0	0	112.2	I139 L154 V159 L243 L260	I139-P157 HydrophobicContact CD1-CB 4.28Å; L154-P157 HydrophobicContact CB-CB 4.24Å; L154-P157 HydrophobicContact CB-CG 3.99Å; L154-P157 HydrophobicContact CD1-CG 4.39Å; L154-P157 HydrophobicContact CD2-CB 4.49Å; P157-V159 VanDerWaalsContact C-N 3.3Å; P157-V159 HydrophobicContact CB-CG2 4.25Å; P157-V159 HydrophobicContact CG-CG2 4.03Å; P157-V159 PolarHBondContact O-N 2.89Å; P157-L243 VanDerWaalsContact CD-CD1 3.46Å; P157-L243 HydrophobicContact CG-CD1 3.51Å; P157-L260 HydrophobicContact CG-CD2 4.33Å
158	L	97.9	Very high	87	Confident	15 Å²	15	35.3 Å²	35.3	8%	0.079	21%	0.21	C	C	.	.	S	Bend	trans	-73	83.2	173.4	179.5	64.2	0	0	0	110.9	S132 A136 A161 L223 V227	S132-L158 PolarHBondContact O-N 2.98Å; A136-L158 HydrophobicContact CB-CB 4.1Å; A136-L158 WeakPolarHBondContact CB-O 3.41Å; L158-A161 HydrophobicContact CD1-CB 4.35Å; L158-L223 HydrophobicContact CD2-CB 4.35Å; L158-L223 HydrophobicContact CD2-CD2 4.04Å; L158-V227 HydrophobicContact CD1-CG2 3.88Å; L158-V227 HydrophobicContact CD2-CG2 4.35Å; L158-V227 HydrophobicContact CG-CG2 3.86Å
159	V	95.9	Very high	85	Confident	4 Å²	4	39.8 Å²	39.8	2%	0.024	23%	0.229	C	C	.	.	S	Bend	trans	-100.6	-42.3	172.8	178.9	0	0	0	0	110.7	I139 P157 V227 V230 L234 G256 L259 L260	I139-V159 HydrophobicContact CD1-CG2 3.91Å; P157-V159 VanDerWaalsContact C-N 3.3Å; P157-V159 HydrophobicContact CB-CG2 4.25Å; P157-V159 HydrophobicContact CG-CG2 4.03Å; P157-V159 PolarHBondContact O-N 2.89Å; V159-V227 WeakPolarHBondContact O-CG1 3.38Å; V159-V230 HydrophobicContact CB-CG1 4.37Å; V159-V230 HydrophobicContact CG1-CG1 4.11Å; V159-V230 HydrophobicContact CG2-CG1 4.18Å; V159-L234 HydrophobicContact CG1-CD1 4.22Å; V159-G256 WeakPolarHBondContact CG1-O 3.48Å; V159-L259 HydrophobicContact CG1-CD2 4.47Å; V159-L260 HydrophobicContact CG1-CB 4.49Å; V159-L260 HydrophobicContact CG2-CB 4.31Å; V159-L260 HydrophobicContact CG2-CD2 4.14Å
160	L	88.4	Confident	83.7	Confident	53 Å²	53	44.5 Å²	44.5	28%	0.277	25%	0.249	S	C	.	.	S	Bend	trans	-137.3	124.6	176.7	-168.4	141.4	0	0	0	108.4	P163 D253	L160-P163 HydrophobicContact CD2-CG 4.48Å; L160-D253 HydrophobicContact CD2-CB 3.9Å; L160-D253 PolarHBondContact O-N 2.69Å
161	A	78.3	Confident	82.4	Confident	26 Å²	26	44.5 Å²	44.5	22%	0.215	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-76.4	148.1	176	0	0	0	0	0	110.4	L158 A166	L158-A161 HydrophobicContact CD1-CB 4.35Å; A161-A166 HydrophobicContact CB-CB 3.84Å
162	N	73.8	Confident	81.1	Confident	25 Å²	25	49.8 Å²	49.8	13%	0.134	27%	0.273	C	S	.	.			trans	-48.3	123.6	178	-177.4	-36.1	0	0	0	111.6	E164 S165 A166 R250 L251	N162-E164 PolarHBondContact O-N 2.98Å; N162-E164 VanDerWaalsContact O-N 3.16Å; N162-E164 WeakPolarHBondContact OD1-CB 3.5Å; N162-E164 PolarHBondContact OD1-N 3.33Å; N162-S165 PolarHBondContact O-N 3.32Å; N162-A166 PolarHBondContact O-N 3.08Å; N162-R250 WeakPolarHBondContact CB-O 3.41Å; N162-R250 PolarHBondContact ND2-O 2.78Å; N162-L251 PolarHBondContact N-O 3.33Å
163	P	68.2	Low	79.8	Confident	61 Å²	61	51.5 Å²	51.5	40%	0.396	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-33.2	-178.4	-26.6	33.9	0	0	0	114.5	L160 A166 T167 D253	L160-P163 HydrophobicContact CD2-CG 4.48Å; P163-A166 CarbonylContact O-C 3.53Å; P163-T167 WeakPolarHBondContact O-CG2 3.48Å; P163-T167 PolarHBondContact O-N 3.32Å; P163-T167 VanDerWaalsContact O-N 3.14Å; P163-D253 WeakPolarHBondContact CD-OD2 3.44Å
164	E	68.8	Low	78.6	Confident	150 Å²	150	52.2 Å²	52.2	70%	0.701	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-33.6	177.7	-64.7	-168.6	167	0	0	112.3	N162 K170	N162-E164 PolarHBondContact O-N 2.98Å; N162-E164 VanDerWaalsContact O-N 3.16Å; N162-E164 WeakPolarHBondContact OD1-CB 3.5Å; N162-E164 PolarHBondContact OD1-N 3.33Å; E164-K170 PolarHBondContact O-NZ 3.37Å
165	S	65.3	Low	77.6	Confident	81 Å²	81	57.9 Å²	57.9	57%	0.566	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-33.4	178	-65.4	0	0	0	0	111.9	N162 K170	N162-S165 PolarHBondContact O-N 3.32Å; S165-K170 WeakPolarHBondContact O-CD 3.44Å
166	A	67.2	Low	76.6	Confident	27 Å²	27	62 Å²	62	22%	0.223	34%	0.343	C	S	.	.	S	Bend	trans	-117.7	41.1	-174	0	0	0	0	0	113.5	A161 N162 P163 L224	A161-A166 HydrophobicContact CB-CB 3.84Å; N162-A166 PolarHBondContact O-N 3.08Å; P163-A166 CarbonylContact O-C 3.53Å; A166-L224 HydrophobicContact CB-CD2 4.38Å
167	T	68.6	Low	75.6	Confident	54 Å²	54	65 Å²	65	33%	0.331	36%	0.359	S	S	.	.			trans	-58.5	148.8	174.8	64.9	0	0	0	0	111	P163 F169 K170 V171	P163-T167 WeakPolarHBondContact O-CG2 3.48Å; P163-T167 PolarHBondContact O-N 3.32Å; P163-T167 VanDerWaalsContact O-N 3.14Å; T167-F169 PolarHBondContact O-N 3.08Å; T167-F169 VanDerWaalsContact O-N 3.07Å; T167-K170 WeakPolarHBondContact O-CA 3.37Å; T167-K170 PolarHBondContact O-N 2.76Å; T167-K170 WeakPolarHBondContact OG1-CB 3.45Å; T167-K170 VanDerWaalsContact OG1-CG 3.3Å; T167-K170 WeakPolarHBondContact OG1-CG 3.39Å; T167-K170 PolarHBondContact OG1-N 2.8Å; T167-V171 WeakPolarHBondContact O-CG2 3.48Å; T167-V171 PolarHBondContact O-N 3.41Å
168	T	66.4	Low	74.7	Confident	128 Å²	128	67 Å²	67	79%	0.785	37%	0.369	S	S	*	.	H	α-helix	trans	-52.1	-36.8	179.6	-47.6	0	0	0	0	112.5	L172	T168-L172 WeakPolarHBondContact O-CB 3.47Å; T168-L172 PolarHBondContact O-N 2.82Å
169	F	56.5	Low	73.8	Confident	164 Å²	164	73.2 Å²	73.2	72%	0.719	40%	0.402	S	S	*	.	H	α-helix	trans	-65.9	-47.3	174.8	-179.3	-98	0	0	0	112.5	T167 V171 L172 A173	T167-F169 PolarHBondContact O-N 3.08Å; T167-F169 VanDerWaalsContact O-N 3.07Å; F169-V171 VanDerWaalsContact C-N 3.3Å; F169-V171 PolarHBondContact O-N 3.28Å; F169-L172 PolarHBondContact O-N 3.41Å; F169-A173 WeakPolarHBondContact O-CB 3.44Å; F169-A173 PolarHBondContact O-N 3.02Å
170	K	71.3	Confident	73	Confident	108 Å²	108	78.1 Å²	78.1	47%	0.47	43%	0.431	S	S	.	.	H	α-helix	trans	-63	-37.7	176.5	-75.3	178	179.4	-179.9	0	111.8	E164 S165 T167 A173 A174	E164-K170 PolarHBondContact O-NZ 3.37Å; S165-K170 WeakPolarHBondContact O-CD 3.44Å; T167-K170 WeakPolarHBondContact O-CA 3.37Å; T167-K170 PolarHBondContact O-N 2.76Å; T167-K170 WeakPolarHBondContact OG1-CB 3.45Å; T167-K170 VanDerWaalsContact OG1-CG 3.3Å; T167-K170 WeakPolarHBondContact OG1-CG 3.39Å; T167-K170 PolarHBondContact OG1-N 2.8Å; K170-A173 PolarHBondContact O-N 2.96Å; K170-A174 VanDerWaalsContact O-CB 3.27Å; K170-A174 WeakPolarHBondContact O-CB 3.4Å; K170-A174 PolarHBondContact O-N 3.19Å
171	V	71.5	Confident	72.8	Confident	33 Å²	33	80 Å²	80	20%	0.2	44%	0.441	C	S	.	.	H	α-helix	trans	-63.1	-46.1	174.7	170.4	0	0	0	0	111.2	T167 F169 A174 K175 L224	T167-V171 WeakPolarHBondContact O-CG2 3.48Å; T167-V171 PolarHBondContact O-N 3.41Å; F169-V171 VanDerWaalsContact C-N 3.3Å; F169-V171 PolarHBondContact O-N 3.28Å; V171-A174 PolarHBondContact O-N 2.7Å; V171-K175 WeakPolarHBondContact O-CG 3.44Å; V171-K175 PolarHBondContact O-N 2.93Å; V171-L224 HydrophobicContact CB-CD1 4.38Å; V171-L224 HydrophobicContact CG1-CD1 4.04Å; V171-L224 HydrophobicContact CG2-CD1 3.96Å; V171-L224 HydrophobicContact CG2-CD2 3.96Å
172	L	71.3	Confident	72.8	Confident	111 Å²	111	81 Å²	81	58%	0.581	45%	0.445	S	S	*	.	H	α-helix	trans	-64	-45.2	177.1	-176.3	64	0	0	0	111.4	T168 F169 A174 K175 V176	T168-L172 WeakPolarHBondContact O-CB 3.47Å; T168-L172 PolarHBondContact O-N 2.82Å; F169-L172 PolarHBondContact O-N 3.41Å; L172-A174 VanDerWaalsContact C-N 3.33Å; L172-A174 PolarHBondContact O-N 3Å; L172-K175 PolarHBondContact O-N 3.22Å; L172-V176 WeakPolarHBondContact O-CG2 3.27Å; L172-V176 PolarHBondContact O-N 3.21Å; L172-V176 VanDerWaalsContact O-N 3.09Å
173	A	73.4	Confident	73.3	Confident	37 Å²	37	85 Å²	85	31%	0.306	47%	0.467	S	S	.	.	H	α-helix	trans	-60.5	-41.9	176.3	0	0	0	0	0	111.9	F169 K170 K175 V176 L177	F169-A173 WeakPolarHBondContact O-CB 3.44Å; F169-A173 PolarHBondContact O-N 3.02Å; K170-A173 PolarHBondContact O-N 2.96Å; A173-K175 PolarHBondContact O-N 2.98Å; A173-V176 PolarHBondContact O-N 2.92Å; A173-L177 WeakPolarHBondContact O-CB 3.28Å; A173-L177 WeakPolarHBondContact O-CG 3.43Å; A173-L177 PolarHBondContact O-N 3.43Å
174	A	73.6	Confident	74.1	Confident	15 Å²	15	85.9 Å²	85.9	12%	0.124	47%	0.468	C	S	.	.	H	α-helix	trans	-62.2	-40.8	175.9	0	0	0	0	0	112.1	K170 V171 L172 L177 N178	K170-A174 VanDerWaalsContact O-CB 3.27Å; K170-A174 WeakPolarHBondContact O-CB 3.4Å; K170-A174 PolarHBondContact O-N 3.19Å; V171-A174 PolarHBondContact O-N 2.7Å; L172-A174 VanDerWaalsContact C-N 3.33Å; L172-A174 PolarHBondContact O-N 3Å; A174-L177 PolarHBondContact O-N 3.27Å; A174-N178 WeakPolarHBondContact O-CB 3.33Å; A174-N178 PolarHBondContact O-N 2.86Å
175	K	76.8	Confident	74.9	Confident	119 Å²	119	81.6 Å²	81.6	52%	0.517	45%	0.454	S	S	.	.	H	α-helix	trans	-61.7	-43.3	175.4	-73.8	-180	179.1	-176.7	0	112.3	V171 L172 A173 N178	V171-K175 WeakPolarHBondContact O-CG 3.44Å; V171-K175 PolarHBondContact O-N 2.93Å; L172-K175 PolarHBondContact O-N 3.22Å; A173-K175 PolarHBondContact O-N 2.98Å; K175-N178 PolarHBondContact O-N 2.87Å
176	V	77.6	Confident	75.5	Confident	87 Å²	87	82.5 Å²	82.5	53%	0.527	45%	0.453	S	S	.	.	H	α-helix	trans	-66	-46.6	176	176.3	0	0	0	0	110.5	L172 A173 N178 L179	L172-V176 WeakPolarHBondContact O-CG2 3.27Å; L172-V176 PolarHBondContact O-N 3.21Å; L172-V176 VanDerWaalsContact O-N 3.09Å; A173-V176 PolarHBondContact O-N 2.92Å; V176-N178 VanDerWaalsContact C-N 3.26Å; V176-N178 PolarHBondContact O-N 2.89Å; V176-L179 PolarHBondContact O-N 2.81Å; V176-L179 VanDerWaalsContact O-N 3.15Å
177	L	77.2	Confident	76	Confident	63 Å²	63	82.8 Å²	82.8	33%	0.33	46%	0.458	S	S	.	.	H	α-helix	trans	-60.3	-34.8	178.1	-78.7	169.4	0	0	0	112.4	A173 A174 L179 V180 L181 V217	A173-L177 WeakPolarHBondContact O-CB 3.28Å; A173-L177 WeakPolarHBondContact O-CG 3.43Å; A173-L177 PolarHBondContact O-N 3.43Å; A174-L177 PolarHBondContact O-N 3.27Å; L177-L179 PolarHBondContact O-N 2.96Å; L177-V180 PolarHBondContact O-N 3.39Å; L177-V180 VanDerWaalsContact O-N 3.14Å; L177-L181 CarbonylContact O-C 3.26Å; L177-L181 WeakPolarHBondContact O-CA 3.19Å; L177-L181 PolarHBondContact O-N 3.45Å; L177-V217 HydrophobicContact CB-CG1 4.22Å
178	N	79.9	Confident	76.6	Confident	45 Å²	45	84.5 Å²	84.5	24%	0.241	47%	0.47	C	S	.	.	H	α-helix	trans	-66	-25.4	178.5	-172.5	67.7	0	0	0	114.1	A174 K175 V176 V180 P182 V217 C218 I221	A174-N178 WeakPolarHBondContact O-CB 3.33Å; A174-N178 PolarHBondContact O-N 2.86Å; K175-N178 PolarHBondContact O-N 2.87Å; V176-N178 VanDerWaalsContact C-N 3.26Å; V176-N178 PolarHBondContact O-N 2.89Å; N178-V180 VanDerWaalsContact C-N 3.31Å; N178-P182 WeakPolarHBondContact O-CB 3.19Å; N178-V217 HydrophobicContact CB-CG1 3.83Å; N178-C218 VanDerWaalsContact OD1-CA 3.28Å; N178-C218 WeakPolarHBondContact OD1-CA 3.47Å; N178-C218 WeakPolarHBondContact OD1-CB 3.43Å; N178-I221 HydrophobicContact CB-CD1 3.17Å; N178-I221 HydrophobicContact CB-CG1 4.47Å
179	L	79.1	Confident	77.2	Confident	146 Å²	146	82.3 Å²	82.3	76%	0.764	45%	0.453	S	S	*	.	H	α-helix	trans	-74.7	-25.3	176	-62.7	174.2	0	0	0	112.2	V176 L177	V176-L179 PolarHBondContact O-N 2.81Å; V176-L179 VanDerWaalsContact O-N 3.15Å; L177-L179 PolarHBondContact O-N 2.96Å
180	V	79.9	Confident	78.7	Confident	107 Å²	107	78.9 Å²	78.9	65%	0.648	44%	0.442	S	S	*	.	H	α-helix	trans	-110.3	-40	-171.3	-169.5	0	0	0	0	112	L177 N178	L177-V180 PolarHBondContact O-N 3.39Å; L177-V180 VanDerWaalsContact O-N 3.14Å; N178-V180 VanDerWaalsContact C-N 3.31Å
181	L	83.6	Confident	79.5	Confident	92 Å²	92	74.5 Å²	74.5	48%	0.482	43%	0.425	S	S	.	.			trans	-141.7	62.8	-173.9	-62.7	174.3	0	0	0	111.5	L177 N183 L184	L177-L181 CarbonylContact O-C 3.26Å; L177-L181 WeakPolarHBondContact O-CA 3.19Å; L177-L181 PolarHBondContact O-N 3.45Å; L181-N183 PolarHBondContact O-N 2.92Å; L181-L184 HydrophobicContact CB-CB 4.12Å; L181-L184 WeakPolarHBondContact O-CB 3.35Å; L181-L184 PolarHBondContact O-N 3.5Å; L181-L184 VanDerWaalsContact O-N 3.14Å
182	P	79.6	Confident	80.5	Confident	47 Å²	47	75.9 Å²	75.9	31%	0.305	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-27.8	-177.2	23.7	-33.6	0	0	0	113.9	N178 L184 C218	N178-P182 WeakPolarHBondContact O-CB 3.19Å; P182-L184 VanDerWaalsContact C-N 3.35Å; P182-C218 HydrophobicContact CB-CB 4.17Å; P182-C218 PolarHBondContact O-N 3.46Å; P182-C218 VanDerWaalsContact O-N 3.13Å; P182-C218 PolarHBondContact O-SG 3.15Å
183	N	83.7	Confident	81.4	Confident	110 Å²	110	71.5 Å²	71.5	59%	0.588	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	1.7	-177.9	-64.1	-20.9	0	0	0	113.6	L181	L181-N183 PolarHBondContact O-N 2.92Å
184	L	85.8	Confident	82.4	Confident	79 Å²	79	70.4 Å²	70.4	41%	0.414	40%	0.403	S	S	.	.			trans	-64.3	137.5	175	-175.7	69	0	0	0	110	L181 P182 K216 V217	L181-L184 HydrophobicContact CB-CB 4.12Å; L181-L184 WeakPolarHBondContact O-CB 3.35Å; L181-L184 PolarHBondContact O-N 3.5Å; L181-L184 VanDerWaalsContact O-N 3.14Å; P182-L184 VanDerWaalsContact C-N 3.35Å; L184-K216 WeakPolarHBondContact O-CA 3.05Å; L184-V217 HydrophobicContact CB-CG2 4.13Å; L184-V217 WeakPolarHBondContact O-CG2 3.09Å; L184-V217 PolarHBondContact O-N 2.91Å
185	S	85.9	Confident	83.5	Confident	60 Å²	60	70.1 Å²	70.1	42%	0.42	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-97.4	131	179.1	-172.3	0	0	0	0	110.6	G187 G214	S185-G187 VanDerWaalsContact C-N 3.3Å; S185-G187 PolarHBondContact O-N 2.93Å; S185-G214 WeakPolarHBondContact OG-CA 3.46Å; S185-G214 PolarHBondContact OG-O 3.45Å
186	L	77.5	Confident	84.6	Confident	101 Å²	101	68.1 Å²	68.1	53%	0.529	39%	0.389	S	S	.	.			trans	-89	11.2	-178	-63.4	175.5	0	0	0	113.9	L215 V217	L186-L215 PolarHBondContact N-O 3Å; L186-V217 HydrophobicContact CD1-CG2 4.15Å; L186-V217 HydrophobicContact CD2-CG2 3.9Å; L186-V217 HydrophobicContact CG-CG2 3.9Å
187	G	76.9	Confident	85.5	Confident	33 Å²	33	65.5 Å²	65.5	34%	0.34	37%	0.372	S	S	.	.			trans	91.4	152.8	-174.9	0	0	0	0	0	112.8	S185 G214 L215	S185-G187 VanDerWaalsContact C-N 3.3Å; S185-G187 PolarHBondContact O-N 2.93Å; G187-G214 WeakPolarHBondContact O-CA 3.38Å; G187-L215 PolarHBondContact O-N 3.13Å; G187-L215 VanDerWaalsContact O-N 3.16Å
188	P	82.1	Confident	86.5	Confident	90 Å²	90	70.5 Å²	70.5	58%	0.584	39%	0.391	S	S	*	.			trans	-73.3	156.4	178.2	32	-35	0	0	0	111.4	R212	P188-R212 WeakPolarHBondContact CB-O 3.41Å
189	I	78.8	Confident	87.4	Confident	82 Å²	82	72.8 Å²	72.8	42%	0.421	41%	0.407	S	S	.	.			trans	-68.4	132.4	168.5	-61.2	172.2	0	0	0	107.8	S191 L194 L251	I189-S191 PolarHBondContact O-N 2.92Å; I189-S191 VanDerWaalsContact O-N 3.14Å; I189-L194 HydrophobicContact CG2-CD2 4.14Å; I189-L251 HydrophobicContact CG2-CD1 4.24Å; I189-L251 HydrophobicContact CG2-CD2 4.15Å
190	D	86.5	Confident	88.3	Confident	91 Å²	91	67.4 Å²	67.4	49%	0.487	38%	0.378	S	S	.	.			trans	-66.7	109.3	169.9	180	-4.4	0	0	0	109.3	S192 V193	D190-S192 PolarHBondContact O-N 2.73Å; D190-S192 VanDerWaalsContact O-N 3.11Å; D190-S192 VanDerWaalsContact OD1-CB 3.28Å; D190-S192 WeakPolarHBondContact OD1-CB 3.34Å; D190-S192 PolarHBondContact OD1-N 2.84Å; D190-S192 PolarHBondContact OD1-OG 3.26Å; D190-S192 PolarHBondContact OD2-OG 2.9Å; D190-V193 WeakPolarHBondContact O-CG2 3.36Å; D190-V193 PolarHBondContact O-N 3.47Å
191	S	88.8	Confident	89.2	Confident	17 Å²	17	63 Å²	63	12%	0.119	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-60.1	-24.2	-178.4	61.2	0	0	0	0	113	I189 V193 L194 N205	I189-S191 PolarHBondContact O-N 2.92Å; I189-S191 VanDerWaalsContact O-N 3.14Å; S191-V193 PolarHBondContact O-N 3.34Å; S191-L194 VanDerWaalsContact O-CB 3.24Å; S191-L194 WeakPolarHBondContact O-CB 3.5Å; S191-L194 WeakPolarHBondContact O-CG 3.34Å; S191-L194 PolarHBondContact O-N 3.45Å; S191-L194 VanDerWaalsContact O-N 3.1Å; S191-N205 WeakPolarHBondContact CB-OD1 3.35Å; S191-N205 PolarHBondContact OG-ND2 3.13Å; S191-N205 PolarHBondContact OG-OD1 3.02Å
192	S	91.7	Very high	89.9	Confident	62 Å²	62	63.5 Å²	63.5	43%	0.434	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-68.4	-18.8	-178.3	74.3	0	0	0	0	113.4	D190 L194	D190-S192 PolarHBondContact O-N 2.73Å; D190-S192 VanDerWaalsContact O-N 3.11Å; D190-S192 VanDerWaalsContact OD1-CB 3.28Å; D190-S192 WeakPolarHBondContact OD1-CB 3.34Å; D190-S192 PolarHBondContact OD1-N 2.84Å; D190-S192 PolarHBondContact OD1-OG 3.26Å; D190-S192 PolarHBondContact OD2-OG 2.9Å; S192-L194 VanDerWaalsContact C-N 3.33Å
193	V	91.6	Very high	90.8	Very high	19 Å²	19	65 Å²	65	12%	0.115	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-87.4	-3.1	174.8	-55.4	0	0	0	0	113.3	D190 S191 R250 Y278	D190-V193 WeakPolarHBondContact O-CG2 3.36Å; D190-V193 PolarHBondContact O-N 3.47Å; S191-V193 PolarHBondContact O-N 3.34Å; V193-R250 HydrophobicContact CB-CB 4.43Å; V193-Y278 WeakPolarHBondContact O-CD2 3.47Å
194	L	93.3	Very high	91.4	Very high	14 Å²	14	61.3 Å²	61.3	7%	0.073	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-38.8	-178.4	-61.9	-179.1	0	0	0	112.5	I189 S191 S192 Y204 L251 Y278 H279 V280	I189-L194 HydrophobicContact CG2-CD2 4.14Å; S191-L194 VanDerWaalsContact O-CB 3.24Å; S191-L194 WeakPolarHBondContact O-CB 3.5Å; S191-L194 WeakPolarHBondContact O-CG 3.34Å; S191-L194 PolarHBondContact O-N 3.45Å; S191-L194 VanDerWaalsContact O-N 3.1Å; S192-L194 VanDerWaalsContact C-N 3.33Å; L194-Y204 HydrophobicContact CD1-CD1 4.1Å; L194-Y204 HydrophobicContact CD1-CD2 4.2Å; L194-Y204 HydrophobicContact CD1-CE1 3.8Å; L194-Y204 HydrophobicContact CD1-CE2 3.91Å; L194-Y204 HydrophobicContact CD1-CG 4.31Å; L194-L251 HydrophobicContact CD2-CD1 3.35Å; L194-Y278 WeakPolarHBondContact O-CB 3.21Å; L194-H279 PolarHBondContact O-N 2.98Å; L194-H279 VanDerWaalsContact O-N 3.13Å; L194-V280 HydrophobicContact CB-CG2 3.84Å; L194-V280 HydrophobicContact CD2-CG2 4.42Å; L194-V280 PolarHBondContact O-N 3.01Å
195	S	98.1	Very high	92	Very high	8 Å²	8	59.8 Å²	59.8	6%	0.056	33%	0.329	C	S	.	.			trans	-153	144.6	-175.7	177.7	0	0	0	0	110.7	N197 K283 E284	S195-N197 WeakPolarHBondContact OG-CB 3.44Å; S195-N197 PolarHBondContact OG-N 3.47Å; S195-K283 WeakPolarHBondContact CB-O 3.42Å; S195-K283 PolarHBondContact OG-O 3.26Å; S195-E284 WeakPolarHBondContact OG-CA 3.5Å
196	R	98.3	Very high	92.5	Very high	78 Å²	78	61.1 Å²	61.1	29%	0.294	34%	0.339	S	S	.	.	S	Bend	trans	-74.2	-17.2	168.7	-63.6	172.3	-61.3	171.3	7.6	112.7	K198 G276 Y278 E284 L285	R196-K198 PolarHBondContact O-N 3.11Å; R196-G276 WeakPolarHBondContact CD-O 3.3Å; R196-G276 VanDerWaalsContact CZ-O 3.26Å; R196-G276 PolarHBondContact NE-O 2.94Å; R196-G276 PolarHBondContact NH1-O 3.42Å; R196-Y278 HydrophobicContact CG-CD1 3.82Å; R196-Y278 HydrophobicContact CG-CD2 3.86Å; R196-Y278 HydrophobicContact CG-CE1 3.7Å; R196-Y278 HydrophobicContact CG-CE2 3.76Å; R196-Y278 HydrophobicContact CG-CG 3.89Å; R196-E284 WeakPolarHBondContact CG-OE1 3.47Å; R196-E284 IonicContact CZ-OE2 3.3Å; R196-E284 VanDerWaalsContact CZ-OE2 3.3Å; R196-E284 PolarHBondContact N-OE1 3.39Å; R196-E284 IonicContact NE-OE1 3.17Å; R196-E284 PolarHBondContact NE-OE1 2.95Å; R196-E284 VanDerWaalsContact NE-OE1 3.17Å; R196-E284 IonicContact NE-OE2 2.94Å; R196-E284 PolarHBondContact NE-OE2 3.14Å; R196-E284 IonicContact NH2-OE2 2.78Å; R196-E284 PolarHBondContact NH2-OE2 2.73Å; R196-L285 HydrophobicContact CB-CD1 4.29Å; R196-L285 HydrophobicContact CB-CD2 4.33Å; R196-L285 HydrophobicContact CB-CG 4.05Å
197	N	98.3	Very high	93.5	Very high	31 Å²	31	57.5 Å²	57.5	17%	0.166	32%	0.32	C	S	.	.			trans	-79.2	100.3	177	-174	-17	0	0	0	110.1	S195 T199 E200 V201 E284 L285	S195-N197 WeakPolarHBondContact OG-CB 3.44Å; S195-N197 PolarHBondContact OG-N 3.47Å; N197-T199 VanDerWaalsContact C-N 3.27Å; N197-T199 PolarHBondContact O-N 2.86Å; N197-T199 PolarHBondContact OD1-N 3.13Å; N197-E200 HydrophobicContact CB-CB 4.2Å; N197-E200 HydrophobicContact CB-CG 4.23Å; N197-E200 PolarHBondContact O-N 2.86Å; N197-E200 VanDerWaalsContact O-N 3.12Å; N197-E200 PolarHBondContact OD1-N 3.05Å; N197-V201 PolarHBondContact O-N 3.15Å; N197-V201 VanDerWaalsContact O-N 3.12Å; N197-E284 WeakPolarHBondContact CB-O 3.37Å; N197-E284 PolarHBondContact ND2-O 2.8Å; N197-E284 VanDerWaalsContact ND2-O 3.11Å; N197-L285 HydrophobicContact CB-CD2 4.28Å
198	K	98.1	Very high	94.5	Very high	169 Å²	169	61.6 Å²	61.6	74%	0.735	34%	0.34	S	S	*	.	H	α-helix	trans	-60.1	-34.8	-176.9	-65.7	-174.7	179	179.7	0	113.3	R196 E200 V201 D202	R196-K198 PolarHBondContact O-N 3.11Å; K198-E200 VanDerWaalsContact C-N 3.31Å; K198-E200 PolarHBondContact O-N 2.8Å; K198-V201 WeakPolarHBondContact O-CB 3.44Å; K198-V201 PolarHBondContact O-N 3.23Å; K198-D202 PolarHBondContact O-N 3.26Å
199	T	98.4	Very high	95.3	Very high	92 Å²	92	58.9 Å²	58.9	56%	0.564	32%	0.321	S	S	*	.	H	α-helix	trans	-62.6	-41.4	177.3	-57.5	0	0	0	0	111.1	N197 V201 D202 I203	N197-T199 VanDerWaalsContact C-N 3.27Å; N197-T199 PolarHBondContact O-N 2.86Å; N197-T199 PolarHBondContact OD1-N 3.13Å; T199-V201 VanDerWaalsContact C-N 3.34Å; T199-D202 PolarHBondContact O-N 2.57Å; T199-I203 HydrophobicContact CG2-CD1 4.19Å; T199-I203 VanDerWaalsContact O-CG1 3.3Å; T199-I203 WeakPolarHBondContact O-CG1 3.31Å; T199-I203 PolarHBondContact O-N 3.37Å
200	E	98.1	Very high	96.2	Very high	33 Å²	33	55.6 Å²	55.6	15%	0.154	30%	0.304	C	S	.	.	H	α-helix	trans	-69.8	-32.7	176.7	-70.7	-66.3	175.8	0	0	112.6	N197 K198 I203 Y204 K283	N197-E200 HydrophobicContact CB-CB 4.2Å; N197-E200 HydrophobicContact CB-CG 4.23Å; N197-E200 PolarHBondContact O-N 2.86Å; N197-E200 VanDerWaalsContact O-N 3.12Å; N197-E200 PolarHBondContact OD1-N 3.05Å; K198-E200 VanDerWaalsContact C-N 3.31Å; K198-E200 PolarHBondContact O-N 2.8Å; E200-I203 PolarHBondContact O-N 3.43Å; E200-Y204 WeakPolarHBondContact O-CB 3.27Å; E200-Y204 PolarHBondContact O-N 3.48Å; E200-K283 HydrophobicContact CB-CB 4.13Å; E200-K283 WeakPolarHBondContact CB-O 3.45Å; E200-K283 HydrophobicContact CG-CB 4.06Å; E200-K283 HydrophobicContact CG-CD 4.47Å; E200-K283 IonicContact OE1-NZ 3.11Å; E200-K283 WeakPolarHBondContact OE2-CD 3.37Å; E200-K283 IonicContact OE2-NZ 2.63Å
201	V	97.9	Very high	96.6	Very high	16 Å²	16	52.6 Å²	52.6	10%	0.097	29%	0.289	C	S	.	.	H	α-helix	trans	-64.3	-41.7	171	175.5	0	0	0	0	111	N197 K198 T199 Y204 N205	N197-V201 PolarHBondContact O-N 3.15Å; N197-V201 VanDerWaalsContact O-N 3.12Å; K198-V201 WeakPolarHBondContact O-CB 3.44Å; K198-V201 PolarHBondContact O-N 3.23Å; T199-V201 VanDerWaalsContact C-N 3.34Å; V201-Y204 WeakPolarHBondContact O-CB 3.24Å; V201-Y204 PolarHBondContact O-N 3.49Å; V201-N205 WeakPolarHBondContact O-CB 3.42Å; V201-N205 PolarHBondContact O-N 2.69Å; V201-N205 PolarHBondContact O-ND2 2.92Å
202	D	98.1	Very high	96.7	Very high	102 Å²	102	58.4 Å²	58.4	55%	0.545	31%	0.309	S	S	.	.	H	α-helix	trans	-67	-39.7	176.9	-67.5	-28.8	0	0	0	111.8	K198 T199 N205 S206	K198-D202 PolarHBondContact O-N 3.26Å; T199-D202 PolarHBondContact O-N 2.57Å; D202-N205 PolarHBondContact O-N 3.4Å; D202-S206 WeakPolarHBondContact O-CB 3.25Å; D202-S206 PolarHBondContact O-N 2.79Å; D202-S206 PolarHBondContact O-OG 2.72Å
203	I	98.3	Very high	96.5	Very high	77 Å²	77	58.6 Å²	58.6	40%	0.395	32%	0.315	S	S	.	.	H	α-helix	trans	-61.3	-46	172.4	-68.7	166.1	0	0	0	110.2	T199 E200 N205 S206 D207	T199-I203 HydrophobicContact CG2-CD1 4.19Å; T199-I203 VanDerWaalsContact O-CG1 3.3Å; T199-I203 WeakPolarHBondContact O-CG1 3.31Å; T199-I203 PolarHBondContact O-N 3.37Å; E200-I203 PolarHBondContact O-N 3.43Å; I203-N205 VanDerWaalsContact C-N 3.32Å; I203-N205 PolarHBondContact O-N 2.94Å; I203-S206 PolarHBondContact O-N 3.22Å; I203-S206 PolarHBondContact O-OG 3.14Å; I203-D207 PolarHBondContact O-N 3.18Å; I203-D207 VanDerWaalsContact O-N 3.16Å
204	Y	97.7	Very high	96.1	Very high	33 Å²	33	58.4 Å²	58.4	13%	0.129	32%	0.316	C	S	.	.	H	α-helix	trans	-59	-43.6	174.9	178.5	-85.6	0	0	0	111.6	L194 E200 V201 S206 I210	L194-Y204 HydrophobicContact CD1-CD1 4.1Å; L194-Y204 HydrophobicContact CD1-CD2 4.2Å; L194-Y204 HydrophobicContact CD1-CE1 3.8Å; L194-Y204 HydrophobicContact CD1-CE2 3.91Å; L194-Y204 HydrophobicContact CD1-CG 4.31Å; E200-Y204 WeakPolarHBondContact O-CB 3.27Å; E200-Y204 PolarHBondContact O-N 3.48Å; V201-Y204 WeakPolarHBondContact O-CB 3.24Å; V201-Y204 PolarHBondContact O-N 3.49Å; Y204-S206 VanDerWaalsContact C-N 3.31Å; Y204-S206 PolarHBondContact O-N 2.75Å; Y204-I210 HydrophobicContact CD1-CD1 4.45Å; Y204-I210 HydrophobicContact CD2-CD1 3.32Å; Y204-I210 HydrophobicContact CE1-CG2 4.06Å; Y204-I210 HydrophobicContact CE2-CD1 3.52Å; Y204-I210 HydrophobicContact CE2-CG2 3.95Å; Y204-I210 HydrophobicContact CG-CD1 3.82Å; Y204-I210 WeakPolarHBondContact O-CD1 3.35Å
205	N	97.1	Very high	95.9	Very high	47 Å²	47	59.7 Å²	59.7	25%	0.251	32%	0.323	S	S	.	.	H	α-helix	trans	-73.1	-19.7	-178.6	-76.5	-31.6	0	0	0	114.4	S191 V201 D202 I203 R212	S191-N205 WeakPolarHBondContact CB-OD1 3.35Å; S191-N205 PolarHBondContact OG-ND2 3.13Å; S191-N205 PolarHBondContact OG-OD1 3.02Å; V201-N205 WeakPolarHBondContact O-CB 3.42Å; V201-N205 PolarHBondContact O-N 2.69Å; V201-N205 PolarHBondContact O-ND2 2.92Å; D202-N205 PolarHBondContact O-N 3.4Å; I203-N205 VanDerWaalsContact C-N 3.32Å; I203-N205 PolarHBondContact O-N 2.94Å; N205-R212 PolarHBondContact O-NH1 3.23Å; N205-R212 PolarHBondContact O-NH2 3.31Å
206	S	97.7	Very high	95.5	Very high	89 Å²	89	61.6 Å²	61.6	62%	0.622	33%	0.33	S	S	*	.	H	α-helix	trans	-99.6	-7.8	179.2	51.6	0	0	0	0	113.6	D202 I203 Y204 P208	D202-S206 WeakPolarHBondContact O-CB 3.25Å; D202-S206 PolarHBondContact O-N 2.79Å; D202-S206 PolarHBondContact O-OG 2.72Å; I203-S206 PolarHBondContact O-N 3.22Å; I203-S206 PolarHBondContact O-OG 3.14Å; Y204-S206 VanDerWaalsContact C-N 3.31Å; Y204-S206 PolarHBondContact O-N 2.75Å; S206-P208 WeakPolarHBondContact O-CD 3.43Å
207	D	98.4	Very high	95.1	Very high	25 Å²	25	57.9 Å²	57.9	13%	0.134	32%	0.316	C	S	.	.			trans	-69.1	116.4	179.9	-169.2	-27	0	0	0	111.5	H64 R67 I203 L209 I210	H64-D207 IonicContact CD2-OD2 3.14Å; H64-D207 IonicContact NE2-OD1 2.71Å; H64-D207 IonicContact NE2-OD2 3.2Å; H64-D207 PolarHBondContact NE2-OD2 2.85Å; R67-D207 IonicContact NH1-OD2 2.73Å; R67-D207 PolarHBondContact NH1-OD2 3.3Å; I203-D207 PolarHBondContact O-N 3.18Å; I203-D207 VanDerWaalsContact O-N 3.16Å; D207-L209 PolarHBondContact O-N 3.47Å; D207-L209 WeakPolarHBondContact OD1-CB 3.36Å; D207-L209 PolarHBondContact OD1-N 3.25Å; D207-I210 HydrophobicContact CB-CB 4.36Å; D207-I210 HydrophobicContact CB-CD1 3.65Å; D207-I210 HydrophobicContact CB-CG1 3.75Å; D207-I210 PolarHBondContact O-N 3.26Å
208	P	97.9	Very high	94.7	Very high	119 Å²	119	57.4 Å²	57.4	77%	0.773	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-12.5	-176.5	31.7	-36.5	0	0	0	113.4	S206	S206-P208 WeakPolarHBondContact O-CD 3.43Å
209	L	98.4	Very high	94.5	Very high	33 Å²	33	49.3 Å²	49.3	17%	0.173	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-8.1	-179.6	-63.3	179.3	0	0	0	112.6	Q22 H64 Q92 D207	Q22-L209 HydrophobicContact CG-CD2 3.81Å; H64-L209 VanDerWaalsContact CD2-CB 3.47Å; H64-L209 WeakPolarHBondContact CD2-CB 3.47Å; H64-L209 VanDerWaalsContact CE1-CD1 3.44Å; H64-L209 WeakPolarHBondContact CE1-CD1 3.39Å; Q92-L209 HydrophobicContact CG-CD1 4.08Å; Q92-L209 HydrophobicContact CG-CD2 3.79Å; D207-L209 PolarHBondContact O-N 3.47Å; D207-L209 WeakPolarHBondContact OD1-CB 3.36Å; D207-L209 PolarHBondContact OD1-N 3.25Å
210	I	97.7	Very high	94.1	Very high	13 Å²	13	45.5 Å²	45.5	7%	0.067	26%	0.259	C	S	.	.	S	Bend	trans	-84.1	130.5	176.9	-63.8	-175.4	0	0	0	110.9	G62 Y204 D207 R212	G62-I210 CarbonylContact O-C 3.53Å; G62-I210 VanDerWaalsContact O-CA 3.31Å; G62-I210 WeakPolarHBondContact O-CA 3.44Å; G62-I210 WeakPolarHBondContact O-CG2 3.48Å; Y204-I210 HydrophobicContact CD1-CD1 4.45Å; Y204-I210 HydrophobicContact CD2-CD1 3.32Å; Y204-I210 HydrophobicContact CE1-CG2 4.06Å; Y204-I210 HydrophobicContact CE2-CD1 3.52Å; Y204-I210 HydrophobicContact CE2-CG2 3.95Å; Y204-I210 HydrophobicContact CG-CD1 3.82Å; Y204-I210 WeakPolarHBondContact O-CD1 3.35Å; D207-I210 HydrophobicContact CB-CB 4.36Å; D207-I210 HydrophobicContact CB-CD1 3.65Å; D207-I210 HydrophobicContact CB-CG1 3.75Å; D207-I210 PolarHBondContact O-N 3.26Å; I210-R212 HydrophobicContact CG2-CG 3.92Å; I210-R212 PolarHBondContact O-N 2.98Å
211	C	95	Very high	93.8	Very high	27 Å²	27	44.9 Å²	44.9	18%	0.182	26%	0.256	C	S	.	.			trans	-80.2	104.1	170	-167.3	0	0	0	0	110	G62 M98	G62-C211 PolarHBondContact O-N 2.75Å; M98-C211 HydrophobicContact CG-CB 3.79Å; M98-C211 HydrophobicContact SD-CB 3.68Å
212	R	90.9	Very high	93.7	Very high	139 Å²	139	45.2 Å²	45.2	53%	0.525	26%	0.257	S	S	.	.			trans	-95.9	8.5	173.7	-61.7	-178.2	-67.5	165.7	-9.1	113.2	P188 N205 I210	P188-R212 WeakPolarHBondContact CB-O 3.41Å; N205-R212 PolarHBondContact O-NH1 3.23Å; N205-R212 PolarHBondContact O-NH2 3.31Å; I210-R212 HydrophobicContact CG2-CG 3.92Å; I210-R212 PolarHBondContact O-N 2.98Å
213	A	88.1	Confident	93.5	Very high	67 Å²	67	41.9 Å²	41.9	55%	0.554	24%	0.239	S	C	*	.	S	Bend	trans	-67.4	153	171.5	0	0	0	0	0	109.5
214	G	82.8	Confident	93.2	Very high	14 Å²	14	40.4 Å²	40.4	14%	0.144	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-66.4	150.2	178.9	0	0	0	0	0	113	S185 G187 K216	S185-G214 WeakPolarHBondContact OG-CA 3.46Å; S185-G214 PolarHBondContact OG-O 3.45Å; G187-G214 WeakPolarHBondContact O-CA 3.38Å; G214-K216 PolarHBondContact O-N 3.24Å
215	L	87.9	Confident	93.1	Very high	42 Å²	42	41.3 Å²	41.3	22%	0.22	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-60.3	117	-176.9	-170.1	75	0	0	0	110.8	M98 L186 G187 F219 L223	M98-L215 HydrophobicContact CE-CD1 3.9Å; L186-L215 PolarHBondContact N-O 3Å; G187-L215 PolarHBondContact O-N 3.13Å; G187-L215 VanDerWaalsContact O-N 3.16Å; L215-F219 HydrophobicContact CD1-CD1 3.56Å; L215-F219 HydrophobicContact CD1-CE1 4.18Å; L215-L223 HydrophobicContact CD1-CD1 4.06Å; L215-L223 HydrophobicContact CD2-CD1 4.32Å
216	K	90.3	Very high	93.1	Very high	47 Å²	47	39 Å²	39	20%	0.204	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-66.7	142.5	174.3	-73.4	173.9	177.7	168.5	0	110.7	E96 V99 L184 G214 C218 F219 G220	E96-K216 IonicContact OE1-NZ 2.95Å; E96-K216 PolarHBondContact OE1-NZ 3.06Å; V99-K216 HydrophobicContact CG2-CD 3.53Å; L184-K216 WeakPolarHBondContact O-CA 3.05Å; G214-K216 PolarHBondContact O-N 3.24Å; K216-C218 VanDerWaalsContact C-N 3.28Å; K216-C218 PolarHBondContact O-N 3.18Å; K216-F219 PolarHBondContact O-N 3.3Å; K216-F219 VanDerWaalsContact O-N 3.12Å; K216-G220 PolarHBondContact O-N 2.93Å
217	V	89.3	Confident	93	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.006	21%	0.205	C	C	.	.	H	α-helix	trans	-54.5	-44.6	179	170.3	0	0	0	0	111.4	L177 N178 L184 L186 F219 G220 I221	L177-V217 HydrophobicContact CB-CG1 4.22Å; N178-V217 HydrophobicContact CB-CG1 3.83Å; L184-V217 HydrophobicContact CB-CG2 4.13Å; L184-V217 WeakPolarHBondContact O-CG2 3.09Å; L184-V217 PolarHBondContact O-N 2.91Å; L186-V217 HydrophobicContact CD1-CG2 4.15Å; L186-V217 HydrophobicContact CD2-CG2 3.9Å; L186-V217 HydrophobicContact CG-CG2 3.9Å; V217-F219 VanDerWaalsContact C-N 3.32Å; V217-F219 PolarHBondContact O-N 3.28Å; V217-G220 PolarHBondContact O-N 3.06Å; V217-I221 PolarHBondContact O-N 3.2Å
218	C	90	Very high	92.8	Very high	20 Å²	20	37.3 Å²	37.3	14%	0.135	22%	0.215	C	C	.	.	H	α-helix	trans	-59.1	-41.5	178.9	60.5	0	0	0	0	112.9	N178 P182 K216 I221 Q222	N178-C218 VanDerWaalsContact OD1-CA 3.28Å; N178-C218 WeakPolarHBondContact OD1-CA 3.47Å; N178-C218 WeakPolarHBondContact OD1-CB 3.43Å; P182-C218 HydrophobicContact CB-CB 4.17Å; P182-C218 PolarHBondContact O-N 3.46Å; P182-C218 VanDerWaalsContact O-N 3.13Å; P182-C218 PolarHBondContact O-SG 3.15Å; K216-C218 VanDerWaalsContact C-N 3.28Å; K216-C218 PolarHBondContact O-N 3.18Å; C218-I221 PolarHBondContact O-N 3.32Å; C218-Q222 PolarHBondContact O-N 3.32Å
219	F	94.1	Very high	92.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-73.7	-37.4	177.8	-169.2	-111.4	0	0	0	112.1	A61 M98 V100 F106 M133 L215 K216 V217 I221 Q222 L223	A61-F219 HydrophobicContact CB-CE1 4.12Å; A61-F219 HydrophobicContact CB-CZ 4.48Å; M98-F219 HydrophobicContact CB-CD1 4.25Å; M98-F219 HydrophobicContact CB-CE1 4.37Å; M98-F219 HydrophobicContact CE-CD1 4Å; M98-F219 HydrophobicContact CE-CE1 3.68Å; M98-F219 WeakPolarHBondContact O-CB 3.3Å; M98-F219 WeakPolarHBondContact O-CD2 3.35Å; M98-F219 WeakPolarHBondContact O-CG 3.46Å; V100-F219 HydrophobicContact CG1-CD2 4.08Å; V100-F219 HydrophobicContact CG1-CE2 4.05Å; F106-F219 HydrophobicContact CE2-CE2 4.06Å; F106-F219 AromaticContact CZ-CE2 3.98Å; F106-F219 HydrophobicContact CZ-CE2 3.98Å; M133-F219 HydrophobicContact SD-CE1 4.39Å; M133-F219 HydrophobicContact SD-CZ 3.66Å; L215-F219 HydrophobicContact CD1-CD1 3.56Å; L215-F219 HydrophobicContact CD1-CE1 4.18Å; K216-F219 PolarHBondContact O-N 3.3Å; K216-F219 VanDerWaalsContact O-N 3.12Å; V217-F219 VanDerWaalsContact C-N 3.32Å; V217-F219 PolarHBondContact O-N 3.28Å; F219-I221 PolarHBondContact O-N 2.84Å; F219-Q222 WeakPolarHBondContact O-CA 3.27Å; F219-Q222 WeakPolarHBondContact O-CB 3.16Å; F219-Q222 PolarHBondContact O-N 2.75Å; F219-L223 HydrophobicContact CD1-CD1 4.34Å; F219-L223 HydrophobicContact CD1-CG 4.42Å; F219-L223 HydrophobicContact CE1-CD1 4.2Å; F219-L223 HydrophobicContact CE1-CD2 4.2Å; F219-L223 HydrophobicContact CE1-CG 4.24Å; F219-L223 HydrophobicContact CZ-CD2 4.34Å; F219-L223 PolarHBondContact O-N 3.4Å
220	G	91.1	Very high	92.8	Very high	12 Å²	12	33 Å²	33	12%	0.124	18%	0.181	C	C	.	.	H	α-helix	trans	-55.9	-38.6	170.7	0	0	0	0	0	112.7	K216 V217 L223 L224	K216-G220 PolarHBondContact O-N 2.93Å; V217-G220 PolarHBondContact O-N 3.06Å; G220-L223 PolarHBondContact O-N 2.96Å; G220-L224 WeakPolarHBondContact O-CG 3.36Å; G220-L224 PolarHBondContact O-N 2.92Å
221	I	90.8	Very high	92.7	Very high	20 Å²	20	38 Å²	38	10%	0.103	20%	0.204	C	C	.	.	H	α-helix	trans	-64.4	-40.2	172.4	-73.7	-178.4	0	0	0	112	N178 V217 C218 F219 L223 L224 N225	N178-I221 HydrophobicContact CB-CD1 3.17Å; N178-I221 HydrophobicContact CB-CG1 4.47Å; V217-I221 PolarHBondContact O-N 3.2Å; C218-I221 PolarHBondContact O-N 3.32Å; F219-I221 PolarHBondContact O-N 2.84Å; I221-L223 VanDerWaalsContact C-N 3.3Å; I221-L223 PolarHBondContact O-N 2.85Å; I221-L224 PolarHBondContact O-N 3.4Å; I221-N225 VanDerWaalsContact O-CG 3.24Å; I221-N225 PolarHBondContact O-N 3.45Å; I221-N225 PolarHBondContact O-ND2 3.13Å
222	Q	95.9	Very high	92.9	Very high	22 Å²	22	44.3 Å²	44.3	10%	0.103	22%	0.224	C	C	.	.	H	α-helix	trans	-65.3	-34.2	176.8	-62.9	-59.6	-17.4	0	0	112.3	V100 S101 F103 C218 F219 N225 A226	V100-Q222 HydrophobicContact CG1-CB 3.9Å; V100-Q222 HydrophobicContact CG1-CG 3.77Å; S101-Q222 PolarHBondContact O-NE2 3.34Å; F103-Q222 HydrophobicContact CB-CB 4.4Å; F103-Q222 HydrophobicContact CD2-CB 4.41Å; F103-Q222 WeakPolarHBondContact CD2-O 3.39Å; C218-Q222 PolarHBondContact O-N 3.32Å; F219-Q222 WeakPolarHBondContact O-CA 3.27Å; F219-Q222 WeakPolarHBondContact O-CB 3.16Å; F219-Q222 PolarHBondContact O-N 2.75Å; Q222-N225 WeakPolarHBondContact O-CB 3.34Å; Q222-N225 PolarHBondContact O-N 2.57Å; Q222-N225 PolarHBondContact OE1-ND2 3.05Å; Q222-A226 PolarHBondContact O-N 2.81Å
223	L	94.7	Very high	93.2	Very high	32 Å²	32	38.1 Å²	38.1	17%	0.168	20%	0.203	C	C	.	.	H	α-helix	trans	-65.3	-40.5	171.1	-63.1	178.9	0	0	0	112.3	F103 M133 L158 L215 F219 G220 I221 N225 A226 V227	F103-L223 HydrophobicContact CE2-CD2 4.18Å; M133-L223 HydrophobicContact CB-CD2 4.45Å; M133-L223 HydrophobicContact CG-CD2 3.9Å; M133-L223 HydrophobicContact SD-CD2 3.82Å; L158-L223 HydrophobicContact CD2-CB 4.35Å; L158-L223 HydrophobicContact CD2-CD2 4.04Å; L215-L223 HydrophobicContact CD1-CD1 4.06Å; L215-L223 HydrophobicContact CD2-CD1 4.32Å; F219-L223 HydrophobicContact CD1-CD1 4.34Å; F219-L223 HydrophobicContact CD1-CG 4.42Å; F219-L223 HydrophobicContact CE1-CD1 4.2Å; F219-L223 HydrophobicContact CE1-CD2 4.2Å; F219-L223 HydrophobicContact CE1-CG 4.24Å; F219-L223 HydrophobicContact CZ-CD2 4.34Å; F219-L223 PolarHBondContact O-N 3.4Å; G220-L223 PolarHBondContact O-N 2.96Å; I221-L223 VanDerWaalsContact C-N 3.3Å; I221-L223 PolarHBondContact O-N 2.85Å; L223-N225 VanDerWaalsContact C-N 3.33Å; L223-A226 VanDerWaalsContact O-CB 3.31Å; L223-A226 WeakPolarHBondContact O-CB 3.36Å; L223-A226 PolarHBondContact O-N 3.32Å; L223-V227 PolarHBondContact O-N 3.48Å
224	L	91.6	Very high	93.6	Very high	46 Å²	46	35 Å²	35	24%	0.241	18%	0.177	C	C	.	.	H	α-helix	trans	-65.1	-38.3	173.7	-67.2	171.5	0	0	0	111.9	A166 V171 G220 I221 A226 V227 S228	A166-L224 HydrophobicContact CB-CD2 4.38Å; V171-L224 HydrophobicContact CB-CD1 4.38Å; V171-L224 HydrophobicContact CG1-CD1 4.04Å; V171-L224 HydrophobicContact CG2-CD1 3.96Å; V171-L224 HydrophobicContact CG2-CD2 3.96Å; G220-L224 WeakPolarHBondContact O-CG 3.36Å; G220-L224 PolarHBondContact O-N 2.92Å; I221-L224 PolarHBondContact O-N 3.4Å; L224-A226 VanDerWaalsContact C-N 3.31Å; L224-A226 PolarHBondContact O-N 3.33Å; L224-V227 PolarHBondContact O-N 3.07Å; L224-S228 PolarHBondContact O-N 3.49Å; L224-S228 VanDerWaalsContact O-N 3.08Å
225	N	94.5	Very high	94.3	Very high	52 Å²	52	37.8 Å²	37.8	28%	0.278	19%	0.192	S	C	.	.	H	α-helix	trans	-62.7	-39.5	172.9	-69.1	-20.1	0	0	0	111	I221 Q222 L223 S228 R229	I221-N225 VanDerWaalsContact O-CG 3.24Å; I221-N225 PolarHBondContact O-N 3.45Å; I221-N225 PolarHBondContact O-ND2 3.13Å; Q222-N225 WeakPolarHBondContact O-CB 3.34Å; Q222-N225 PolarHBondContact O-N 2.57Å; Q222-N225 PolarHBondContact OE1-ND2 3.05Å; L223-N225 VanDerWaalsContact C-N 3.33Å; N225-S228 PolarHBondContact O-N 2.88Å; N225-R229 WeakPolarHBondContact O-CB 3.47Å; N225-R229 WeakPolarHBondContact O-CD 3.2Å; N225-R229 WeakPolarHBondContact O-CG 3.23Å; N225-R229 PolarHBondContact O-N 3.46Å
226	A	97.6	Very high	94.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.3	-50.6	175.1	0	0	0	0	0	111.5	F103 Q222 L223 L224 S228 R229 V230	F103-A226 HydrophobicContact CD1-CB 3.58Å; F103-A226 HydrophobicContact CD2-CB 3.72Å; F103-A226 HydrophobicContact CE1-CB 3.45Å; F103-A226 VanDerWaalsContact CE1-CB 3.45Å; F103-A226 HydrophobicContact CE2-CB 3.59Å; F103-A226 HydrophobicContact CG-CB 3.71Å; F103-A226 HydrophobicContact CZ-CB 3.44Å; F103-A226 VanDerWaalsContact CZ-CB 3.44Å; Q222-A226 PolarHBondContact O-N 2.81Å; L223-A226 VanDerWaalsContact O-CB 3.31Å; L223-A226 WeakPolarHBondContact O-CB 3.36Å; L223-A226 PolarHBondContact O-N 3.32Å; L224-A226 VanDerWaalsContact C-N 3.31Å; L224-A226 PolarHBondContact O-N 3.33Å; A226-S228 VanDerWaalsContact C-N 3.34Å; A226-S228 PolarHBondContact O-N 3.17Å; A226-R229 PolarHBondContact O-N 3.44Å; A226-R229 VanDerWaalsContact O-N 3.11Å; A226-V230 WeakPolarHBondContact O-CB 3.29Å; A226-V230 WeakPolarHBondContact O-CG2 3.06Å; A226-V230 PolarHBondContact O-N 3.22Å
227	V	95.8	Very high	94.9	Very high	29 Å²	29	40.7 Å²	40.7	18%	0.176	20%	0.203	C	C	.	.	H	α-helix	trans	-54.3	-49.1	176	167	0	0	0	0	111.1	L158 V159 L223 L224 R229 V230 E231	L158-V227 HydrophobicContact CD1-CG2 3.88Å; L158-V227 HydrophobicContact CD2-CG2 4.35Å; L158-V227 HydrophobicContact CG-CG2 3.86Å; V159-V227 WeakPolarHBondContact O-CG1 3.38Å; L223-V227 PolarHBondContact O-N 3.48Å; L224-V227 PolarHBondContact O-N 3.07Å; V227-R229 VanDerWaalsContact C-N 3.33Å; V227-R229 PolarHBondContact O-N 2.89Å; V227-V230 PolarHBondContact O-N 2.9Å; V227-E231 PolarHBondContact O-N 2.97Å
228	S	95	Very high	95.4	Very high	48 Å²	48	44 Å²	44	34%	0.336	22%	0.224	S	C	.	.	H	α-helix	trans	-65.4	-32.6	178.6	177.9	0	0	0	0	113.7	L224 N225 A226 R232	L224-S228 PolarHBondContact O-N 3.49Å; L224-S228 VanDerWaalsContact O-N 3.08Å; N225-S228 PolarHBondContact O-N 2.88Å; A226-S228 VanDerWaalsContact C-N 3.34Å; A226-S228 PolarHBondContact O-N 3.17Å; S228-R232 WeakPolarHBondContact O-CG 3.48Å; S228-R232 PolarHBondContact O-N 2.87Å; S228-R232 PolarHBondContact O-NE 3.18Å
229	R	98.1	Very high	95.8	Very high	61 Å²	61	43.5 Å²	43.5	23%	0.23	22%	0.22	C	C	.	.	H	α-helix	trans	-72.7	-42.3	175.1	-72.3	167.2	-176.2	-165.2	-2.2	110.9	D102 H104 L140 N225 A226 V227 R232 A233	D102-R229 IonicContact OD1-CZ 3.18Å; D102-R229 VanDerWaalsContact OD1-CZ 3.3Å; D102-R229 IonicContact OD1-NH1 3.92Å; D102-R229 PolarHBondContact OD1-NH1 2.97Å; D102-R229 IonicContact OD1-NH2 2.85Å; D102-R229 PolarHBondContact OD1-NH2 3.47Å; D102-R229 IonicContact OD2-CZ 3.72Å; D102-R229 IonicContact OD2-NH1 3.54Å; D102-R229 IonicContact OD2-NH2 2.69Å; D102-R229 PolarHBondContact OD2-NH2 2.97Å; H104-R229 VanDerWaalsContact N-NH1 3.14Å; L140-R229 HydrophobicContact CD1-CB 4.09Å; L140-R229 HydrophobicContact CD2-CB 3.75Å; N225-R229 WeakPolarHBondContact O-CB 3.47Å; N225-R229 WeakPolarHBondContact O-CD 3.2Å; N225-R229 WeakPolarHBondContact O-CG 3.23Å; N225-R229 PolarHBondContact O-N 3.46Å; A226-R229 PolarHBondContact O-N 3.44Å; A226-R229 VanDerWaalsContact O-N 3.11Å; V227-R229 VanDerWaalsContact C-N 3.33Å; V227-R229 PolarHBondContact O-N 2.89Å; R229-R232 PolarHBondContact O-N 3.44Å; R229-A233 WeakPolarHBondContact O-CB 3.49Å; R229-A233 PolarHBondContact O-N 3.47Å
230	V	98.3	Very high	96	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.7	-51.1	177.2	166.2	0	0	0	0	109.8	A136 I139 L140 V159 A226 V227 R232 A233 L234	A136-V230 HydrophobicContact CB-CG2 3.91Å; I139-V230 HydrophobicContact CD1-CG1 4.24Å; I139-V230 HydrophobicContact CG2-CG1 4.16Å; I139-V230 HydrophobicContact CG2-CG2 4.36Å; L140-V230 HydrophobicContact CD1-CG2 4.36Å; L140-V230 HydrophobicContact CD2-CG2 4.05Å; L140-V230 HydrophobicContact CG-CG2 3.98Å; V159-V230 HydrophobicContact CB-CG1 4.37Å; V159-V230 HydrophobicContact CG1-CG1 4.11Å; V159-V230 HydrophobicContact CG2-CG1 4.18Å; A226-V230 WeakPolarHBondContact O-CB 3.29Å; A226-V230 WeakPolarHBondContact O-CG2 3.06Å; A226-V230 PolarHBondContact O-N 3.22Å; V227-V230 PolarHBondContact O-N 2.9Å; V230-R232 VanDerWaalsContact C-N 3.27Å; V230-R232 PolarHBondContact O-N 3.18Å; V230-A233 CarbonylContact O-C 3.59Å; V230-A233 WeakPolarHBondContact O-CA 3.34Å; V230-A233 WeakPolarHBondContact O-CB 3.22Å; V230-A233 PolarHBondContact O-N 2.81Å; V230-L234 HydrophobicContact CG1-CD2 3.79Å; V230-L234 HydrophobicContact CG1-CG 4.37Å; V230-L234 VanDerWaalsContact O-CG 3.27Å; V230-L234 WeakPolarHBondContact O-CG 3.22Å; V230-L234 PolarHBondContact O-N 2.92Å
231	E	96.1	Very high	96.4	Very high	119 Å²	119	44.6 Å²	44.6	56%	0.556	23%	0.225	S	C	*	.	H	α-helix	trans	-51.5	-45.5	177.3	-175.6	-177.5	-163.5	0	0	112.1	V227 A233 P235	V227-E231 PolarHBondContact O-N 2.97Å; E231-A233 VanDerWaalsContact C-N 3.31Å; E231-A233 PolarHBondContact O-N 3.4Å; E231-P235 WeakPolarHBondContact O-CD 3.4Å
232	R	97.6	Very high	96.8	Very high	159 Å²	159	43.8 Å²	43.8	60%	0.6	22%	0.22	S	C	*	.	H	α-helix	trans	-70.4	-23.8	176.9	-72	-178.6	-72.8	154.4	-7.2	113.9	S228 R229 V230	S228-R232 WeakPolarHBondContact O-CG 3.48Å; S228-R232 PolarHBondContact O-N 2.87Å; S228-R232 PolarHBondContact O-NE 3.18Å; R229-R232 PolarHBondContact O-N 3.44Å; V230-R232 VanDerWaalsContact C-N 3.27Å; V230-R232 PolarHBondContact O-N 3.18Å
233	A	97.4	Very high	96.9	Very high	10 Å²	10	42.7 Å²	42.7	8%	0.083	22%	0.216	C	C	.	.	H	α-helix	trans	-85	-28.1	179.7	0	0	0	0	0	112.6	L140 A143 R229 V230 E231 K236 L237	L140-A233 HydrophobicContact CD2-CB 4.1Å; A143-A233 HydrophobicContact CB-CB 3.75Å; R229-A233 WeakPolarHBondContact O-CB 3.49Å; R229-A233 PolarHBondContact O-N 3.47Å; V230-A233 CarbonylContact O-C 3.59Å; V230-A233 WeakPolarHBondContact O-CA 3.34Å; V230-A233 WeakPolarHBondContact O-CB 3.22Å; V230-A233 PolarHBondContact O-N 2.81Å; E231-A233 VanDerWaalsContact C-N 3.31Å; E231-A233 PolarHBondContact O-N 3.4Å; A233-K236 WeakPolarHBondContact O-CA 3.22Å; A233-K236 WeakPolarHBondContact O-CB 3.48Å; A233-K236 PolarHBondContact O-N 3.3Å; A233-L237 PolarHBondContact O-N 2.89Å
234	L	97	Very high	97.1	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-51.8	-47.1	-175.2	-56.4	-174	0	0	0	113.3	I139 V159 V230 K236 L237 L259 L260 A264	I139-L234 HydrophobicContact CG2-CD2 4.34Å; V159-L234 HydrophobicContact CG1-CD1 4.22Å; V230-L234 HydrophobicContact CG1-CD2 3.79Å; V230-L234 HydrophobicContact CG1-CG 4.37Å; V230-L234 VanDerWaalsContact O-CG 3.27Å; V230-L234 WeakPolarHBondContact O-CG 3.22Å; V230-L234 PolarHBondContact O-N 2.92Å; L234-K236 PolarHBondContact O-N 3.07Å; L234-L237 WeakPolarHBondContact O-CB 3.32Å; L234-L237 PolarHBondContact O-N 2.98Å; L234-L259 HydrophobicContact CD1-CD2 4.5Å; L234-L259 HydrophobicContact CD1-CG 4.17Å; L234-L260 HydrophobicContact CD2-CD1 3.52Å; L234-A264 WeakPolarHBondContact O-CA 3.45Å
235	P	96.8	Very high	97.4	Very high	72 Å²	72	39.1 Å²	39.1	47%	0.468	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-66.1	-10.4	-179.1	-21.4	35.2	0	0	0	114.7	E231 K265	E231-P235 WeakPolarHBondContact O-CD 3.4Å; P235-K265 WeakPolarHBondContact O-CG 3.45Å
236	K	93.6	Very high	97.6	Very high	149 Å²	149	36.6 Å²	36.6	65%	0.648	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-103.5	-10.6	177.8	-56	179.4	-176.1	179.2	0	112.5	A233 L234 T238	A233-K236 WeakPolarHBondContact O-CA 3.22Å; A233-K236 WeakPolarHBondContact O-CB 3.48Å; A233-K236 PolarHBondContact O-N 3.3Å; L234-K236 PolarHBondContact O-N 3.07Å; K236-T238 PolarHBondContact O-N 3.14Å
237	L	98.1	Very high	97.7	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	20%	0.195	C	C	.	.			trans	-75.9	116.3	-174.6	-164.2	72.6	0	0	0	110	I139 A142 A143 M152 A233 L234 V239 L260 A264 K265 S266	I139-L237 HydrophobicContact CG2-CD1 4.43Å; I139-L237 HydrophobicContact CG2-CD2 4.26Å; A142-L237 HydrophobicContact CB-CD1 4.1Å; A143-L237 HydrophobicContact CB-CD1 4.37Å; M152-L237 HydrophobicContact CE-CD1 4.09Å; M152-L237 HydrophobicContact CE-CD2 3.93Å; M152-L237 HydrophobicContact CE-CG 4.42Å; A233-L237 PolarHBondContact O-N 2.89Å; L234-L237 WeakPolarHBondContact O-CB 3.32Å; L234-L237 PolarHBondContact O-N 2.98Å; L237-V239 HydrophobicContact CD1-CG1 3.73Å; L237-V239 HydrophobicContact CG-CG1 3.97Å; L237-L260 HydrophobicContact CD2-CD1 4.06Å; L237-A264 HydrophobicContact CB-CB 4.42Å; L237-A264 HydrophobicContact CD2-CB 4.36Å; L237-K265 CarbonylContact O-C 3.56Å; L237-K265 WeakPolarHBondContact O-CA 3.21Å; L237-K265 PolarHBondContact O-N 2.77Å; L237-S266 PolarHBondContact O-N 2.81Å; L237-S266 PolarHBondContact O-OG 3.35Å
238	T	98.6	Very high	97.7	Very high	72 Å²	72	38.6 Å²	38.6	44%	0.442	20%	0.201	S	C	.	.			trans	-119.1	-11.6	-178.8	53.7	0	0	0	0	113.9	K236 K265 S266	K236-T238 PolarHBondContact O-N 3.14Å; T238-K265 HydrophobicContact CG2-CB 4.18Å; T238-S266 VanDerWaalsContact C-OG 3.26Å
239	V	98.6	Very high	97.8	Very high	9 Å²	9	37 Å²	37	6%	0.055	19%	0.188	C	C	.	.	S	Bend	trans	-60.1	139.2	179.4	59.8	0	0	0	0	111.1	A142 F149 M152 L237 S266	A142-V239 HydrophobicContact CB-CB 4.43Å; A142-V239 HydrophobicContact CB-CG1 3.78Å; F149-V239 HydrophobicContact CB-CG2 3.96Å; F149-V239 WeakPolarHBondContact O-CG2 3.5Å; M152-V239 HydrophobicContact CE-CG1 3.49Å; M152-V239 VanDerWaalsContact CE-CG1 3.49Å; M152-V239 HydrophobicContact CG-CG1 3.93Å; M152-V239 HydrophobicContact CG-CG2 3.93Å; M152-V239 HydrophobicContact SD-CG1 3.88Å; L237-V239 HydrophobicContact CD1-CG1 3.73Å; L237-V239 HydrophobicContact CG-CG1 3.97Å; V239-S266 WeakPolarHBondContact O-CB 3.47Å; V239-S266 PolarHBondContact O-OG 3.16Å
240	P	98.9	Very high	97.6	Very high	35 Å²	35	40.8 Å²	40.8	23%	0.227	20%	0.202	C	C	.	.			trans	-56.4	140.7	172.5	-28.3	37.4	0	0	0	112.3	G151 M152 D268 W299	G151-P240 CarbonylContact C-O 3.56Å; G151-P240 VanDerWaalsContact CA-O 3.23Å; G151-P240 WeakPolarHBondContact CA-O 3.47Å; M152-P240 PolarHBondContact N-O 3.17Å; P240-D268 CarbonylContact C-O 3.48Å; P240-D268 WeakPolarHBondContact CA-O 3.41Å; P240-D268 HydrophobicContact CB-CB 3.96Å; P240-D268 HydrophobicContact CG-CB 4.3Å; P240-W299 HydrophobicContact CB-CH2 4.09Å; P240-W299 HydrophobicContact CB-CZ2 4.06Å
241	F	98.9	Very high	97.2	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	147	174.5	67.8	-94.1	0	0	0	116.6	M152 L243 L260 M261 A264 D268 K269 T270 W299	M152-F241 HydrophobicContact CB-CB 4.08Å; M152-F241 HydrophobicContact CE-CB 4.49Å; M152-F241 CarbonylContact O-C 3.57Å; M152-F241 WeakPolarHBondContact O-CA 3.13Å; M152-F241 WeakPolarHBondContact O-CB 3.11Å; F241-L243 HydrophobicContact CD2-CB 4.05Å; F241-L243 HydrophobicContact CE2-CB 4.09Å; F241-L243 HydrophobicContact CE2-CD2 4.4Å; F241-L260 HydrophobicContact CE2-CD2 4.35Å; F241-L260 HydrophobicContact CE2-CG 4.18Å; F241-L260 HydrophobicContact CZ-CD1 4.3Å; F241-L260 HydrophobicContact CZ-CG 4.1Å; F241-M261 HydrophobicContact CE2-SD 3.52Å; F241-M261 VanDerWaalsContact CE2-SD 3.52Å; F241-M261 HydrophobicContact CZ-SD 3.85Å; F241-A264 HydrophobicContact CE1-CB 3.72Å; F241-A264 HydrophobicContact CZ-CB 4.03Å; F241-D268 PolarHBondContact N-O 2.73Å; F241-K269 HydrophobicContact CD1-CB 4.07Å; F241-K269 HydrophobicContact CD2-CB 4.32Å; F241-K269 HydrophobicContact CE1-CB 3.54Å; F241-K269 HydrophobicContact CE1-CD 4.26Å; F241-K269 HydrophobicContact CE2-CB 3.83Å; F241-K269 HydrophobicContact CG-CB 4.44Å; F241-K269 HydrophobicContact CZ-CB 3.41Å; F241-K269 VanDerWaalsContact CZ-CB 3.41Å; F241-K269 HydrophobicContact CZ-CD 4.05Å; F241-K269 HydrophobicContact CZ-CG 4.36Å; F241-K269 WeakPolarHBondContact O-CA 3.28Å; F241-T270 PolarHBondContact O-N 3.42Å; F241-W299 VanDerWaalsContact C-CZ2 3.42Å
242	L	98.9	Very high	97.1	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	127.2	162.8	178.1	62.6	0	0	0	109.1	M152 V153 L154 L244 T270 E295 I296 W299	M152-L242 PolarHBondContact O-N 3.3Å; V153-L242 HydrophobicContact CG1-CD2 4.49Å; V153-L242 HydrophobicContact CG2-CB 4.5Å; L154-L242 PolarHBondContact N-O 3.42Å; L242-L244 HydrophobicContact CD1-CD2 3.87Å; L242-L244 HydrophobicContact CD2-CD1 4.34Å; L242-L244 HydrophobicContact CD2-CD2 4.09Å; L242-L244 HydrophobicContact CD2-CG 4.27Å; L242-L244 HydrophobicContact CG-CD2 3.89Å; L242-L244 HydrophobicContact CG-CG 4.12Å; L242-T270 HydrophobicContact CD1-CG2 4.19Å; L242-E295 HydrophobicContact CD2-CB 4.41Å; L242-I296 HydrophobicContact CD2-CG1 4.13Å; L242-W299 HydrophobicContact CB-CD2 3.77Å; L242-W299 HydrophobicContact CB-CE3 4.41Å; L242-W299 HydrophobicContact CB-CG 3.8Å; L242-W299 HydrophobicContact CB-CZ2 4.45Å; L242-W299 HydrophobicContact CD2-CB 3.85Å; L242-W299 HydrophobicContact CD2-CG 4.03Å; L242-W299 HydrophobicContact CG-CG 4.33Å
243	L	98.9	Very high	96.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	120.2	177.3	179.1	58.9	0	0	0	110.1	L154 P157 F241 A257 L260 M261 T270 L271 K272	L154-L243 HydrophobicContact CB-CD1 3.9Å; P157-L243 VanDerWaalsContact CD-CD1 3.46Å; P157-L243 HydrophobicContact CG-CD1 3.51Å; F241-L243 HydrophobicContact CD2-CB 4.05Å; F241-L243 HydrophobicContact CE2-CB 4.09Å; F241-L243 HydrophobicContact CE2-CD2 4.4Å; L243-A257 HydrophobicContact CD2-CB 3.82Å; L243-A257 WeakPolarHBondContact CD2-O 3.01Å; L243-A257 HydrophobicContact CG-CB 4.32Å; L243-L260 HydrophobicContact CD1-CD2 4.07Å; L243-L260 HydrophobicContact CD2-CB 4.34Å; L243-L260 HydrophobicContact CD2-CD2 3.79Å; L243-L260 HydrophobicContact CD2-CG 4.2Å; L243-M261 HydrophobicContact CD2-CG 3.98Å; L243-M261 HydrophobicContact CD2-SD 4.27Å; L243-T270 PolarHBondContact N-O 2.83Å; L243-L271 HydrophobicContact CB-CD1 4.22Å; L243-L271 HydrophobicContact CD2-CD1 3.84Å; L243-L271 HydrophobicContact CG-CD1 3.71Å; L243-L271 CarbonylContact O-C 3.52Å; L243-L271 WeakPolarHBondContact O-CA 3.44Å; L243-K272 PolarHBondContact O-N 3.24Å
244	L	98.9	Very high	96.8	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126.1	177.9	-54.7	-177.9	0	0	0	108.5	L154 S156 L242 K272 Y274 L281 V292 E295 I296	L154-L244 PolarHBondContact O-N 3.31Å; S156-L244 PolarHBondContact N-O 2.97Å; L242-L244 HydrophobicContact CD1-CD2 3.87Å; L242-L244 HydrophobicContact CD2-CD1 4.34Å; L242-L244 HydrophobicContact CD2-CD2 4.09Å; L242-L244 HydrophobicContact CD2-CG 4.27Å; L242-L244 HydrophobicContact CG-CD2 3.89Å; L242-L244 HydrophobicContact CG-CG 4.12Å; L244-K272 HydrophobicContact CD2-CB 3.78Å; L244-K272 HydrophobicContact CD2-CD 4.39Å; L244-Y274 HydrophobicContact CB-CE2 4.18Å; L244-Y274 HydrophobicContact CD2-CE2 4.18Å; L244-L281 HydrophobicContact CB-CD1 3.93Å; L244-V292 HydrophobicContact CD1-CB 4.38Å; L244-V292 HydrophobicContact CD1-CG1 3.87Å; L244-V292 HydrophobicContact CD1-CG2 4.3Å; L244-E295 HydrophobicContact CD2-CB 4.47Å; L244-I296 HydrophobicContact CD1-CD1 4.04Å; L244-I296 HydrophobicContact CD1-CG1 3.88Å
245	Q	98.9	Very high	96.8	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.009	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	137.8	-174.7	176.7	67.3	53.3	0	0	111.7	D249 C252 A257 L271 K272 I273 Y274	Q245-D249 VanDerWaalsContact NE2-CB 3.3Å; Q245-D249 PolarHBondContact NE2-OD2 3.4Å; Q245-D249 VanDerWaalsContact NE2-OD2 3.08Å; Q245-C252 PolarHBondContact NE2-O 3.25Å; Q245-A257 HydrophobicContact CB-CB 3.87Å; Q245-A257 HydrophobicContact CG-CB 3.72Å; Q245-L271 HydrophobicContact CB-CD1 4.34Å; Q245-K272 PolarHBondContact N-O 3.16Å; Q245-I273 HydrophobicContact CB-CD1 3.93Å; Q245-I273 HydrophobicContact CG-CD1 4.1Å; Q245-I273 CarbonylContact O-C 3.47Å; Q245-I273 VanDerWaalsContact O-CA 3.3Å; Q245-I273 WeakPolarHBondContact O-CA 3.11Å; Q245-Y274 PolarHBondContact O-N 3.46Å
246	G	98.6	Very high	96.8	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	138.9	171.3	0	0	0	0	0	111.6	A248 A277	G246-A248 VanDerWaalsContact C-N 3.3Å; G246-A248 PolarHBondContact O-N 2.94Å; G246-A277 CarbonylContact C-O 3.53Å; G246-A277 WeakPolarHBondContact CA-O 3.47Å
247	S	98.1	Very high	97	Very high	36 Å²	36	28 Å²	28	25%	0.252	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-23.6	178.5	74.6	0	0	0	0	113.1	Y274 E275 G276	S247-Y274 PolarHBondContact N-O 2.82Å; S247-E275 WeakPolarHBondContact OG-CA 3.43Å; S247-E275 VanDerWaalsContact OG-CD 3.24Å; S247-E275 PolarHBondContact OG-OE1 2.78Å; S247-G276 PolarHBondContact OG-N 3.06Å
248	A	97.2	Very high	97	Very high	35 Å²	35	33.6 Å²	33.6	29%	0.289	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	21.9	-179.7	0	0	0	0	0	113	G246 R250 A277 Y278	G246-A248 VanDerWaalsContact C-N 3.3Å; G246-A248 PolarHBondContact O-N 2.94Å; A248-R250 PolarHBondContact O-N 3.3Å; A248-A277 CarbonylContact C-O 3.58Å; A248-A277 PolarHBondContact N-O 3.44Å; A248-A277 VanDerWaalsContact N-O 3.13Å; A248-Y278 HydrophobicContact CB-CD1 3.93Å; A248-Y278 HydrophobicContact CB-CE1 4.02Å
249	D	96.9	Very high	97	Very high	13 Å²	13	32.6 Å²	32.6	7%	0.07	16%	0.161	C	C	.	.			trans	-64	122	174.5	-171.1	-22.5	0	0	0	110.9	S156 Q245 L251 C252 H279	S156-D249 WeakPolarHBondContact CB-OD2 3.49Å; Q245-D249 VanDerWaalsContact NE2-CB 3.3Å; Q245-D249 PolarHBondContact NE2-OD2 3.4Å; Q245-D249 VanDerWaalsContact NE2-OD2 3.08Å; D249-L251 PolarHBondContact OD1-N 2.85Å; D249-C252 WeakPolarHBondContact CB-O 3.18Å; D249-C252 PolarHBondContact OD1-N 3.07Å; D249-H279 VanDerWaalsContact CG-ND1 3.29Å; D249-H279 IonicContact OD1-CG 2.73Å; D249-H279 IonicContact OD1-ND1 3.32Å; D249-H279 PolarHBondContact OD1-ND1 3.4Å; D249-H279 VanDerWaalsContact OD1-ND1 3.13Å; D249-H279 IonicContact OD2-CE1 2.99Å; D249-H279 IonicContact OD2-CG 2.77Å; D249-H279 IonicContact OD2-ND1 3.58Å; D249-H279 PolarHBondContact OD2-ND1 3.27Å
250	R	92.4	Very high	97	Very high	141 Å²	141	32.2 Å²	32.2	53%	0.532	16%	0.159	S	C	.	.	S	Bend	trans	-95.1	-5.5	-178.7	-64.3	-170.8	178.3	-177.2	-1.3	113.8	N162 V193 A248	N162-R250 WeakPolarHBondContact CB-O 3.41Å; N162-R250 PolarHBondContact ND2-O 2.78Å; V193-R250 HydrophobicContact CB-CB 4.43Å; A248-R250 PolarHBondContact O-N 3.3Å
251	L	90.1	Very high	96.9	Very high	46 Å²	46	32.4 Å²	32.4	24%	0.241	16%	0.157	C	C	.	.	S	Bend	trans	-106.8	-58	-177.6	-67.6	175.8	0	0	0	111.3	N162 I189 L194 D249 H279	N162-L251 PolarHBondContact N-O 3.33Å; I189-L251 HydrophobicContact CG2-CD1 4.24Å; I189-L251 HydrophobicContact CG2-CD2 4.15Å; L194-L251 HydrophobicContact CD2-CD1 3.35Å; D249-L251 PolarHBondContact OD1-N 2.85Å; L251-H279 HydrophobicContact CD1-CB 4.31Å
252	C	94.1	Very high	96.9	Very high	4 Å²	4	39.8 Å²	39.8	3%	0.027	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-104	101.2	176.5	-68.1	0	0	0	0	108.3	Q245 D249 S254 H279	Q245-C252 PolarHBondContact NE2-O 3.25Å; D249-C252 WeakPolarHBondContact CB-O 3.18Å; D249-C252 PolarHBondContact OD1-N 3.07Å; C252-S254 PolarHBondContact O-N 3.04Å; C252-H279 PolarHBondContact SG-CE1 3.13Å
253	D	93.4	Very high	96.9	Very high	28 Å²	28	41.3 Å²	41.3	15%	0.15	20%	0.202	C	C	.	.			trans	-61.2	134.5	-174.5	-171.4	-67.9	0	0	0	110.3	L160 P163 K255 G256	L160-D253 HydrophobicContact CD2-CB 3.9Å; L160-D253 PolarHBondContact O-N 2.69Å; P163-D253 WeakPolarHBondContact CD-OD2 3.44Å; D253-K255 PolarHBondContact O-N 2.81Å; D253-K255 VanDerWaalsContact O-N 3.07Å; D253-K255 WeakPolarHBondContact OD1-CB 3.49Å; D253-K255 WeakPolarHBondContact OD1-CD 3.31Å; D253-K255 WeakPolarHBondContact OD1-CG 3.47Å; D253-K255 PolarHBondContact OD1-N 3.39Å; D253-G256 PolarHBondContact O-N 3.19Å
254	S	95.9	Very high	96.8	Very high	25 Å²	25	41.4 Å²	41.4	18%	0.175	20%	0.203	C	C	.	.	H	α-helix	trans	-60.3	-21.7	-177.3	61.3	0	0	0	0	113.2	C252 G256 A257 Y258	C252-S254 PolarHBondContact O-N 3.04Å; S254-G256 PolarHBondContact O-N 2.85Å; S254-A257 WeakPolarHBondContact O-CB 3.47Å; S254-A257 PolarHBondContact O-N 2.85Å; S254-Y258 WeakPolarHBondContact O-CD2 3.48Å; S254-Y258 PolarHBondContact O-N 2.88Å
255	K	96.4	Very high	96.8	Very high	135 Å²	135	47.1 Å²	47.1	59%	0.587	23%	0.228	S	C	*	.	H	α-helix	trans	-55.5	-34.9	168.4	-67.9	171.3	-176.6	171.2	0	112.5	D253 A257 Y258 L259	D253-K255 PolarHBondContact O-N 2.81Å; D253-K255 VanDerWaalsContact O-N 3.07Å; D253-K255 WeakPolarHBondContact OD1-CB 3.49Å; D253-K255 WeakPolarHBondContact OD1-CD 3.31Å; D253-K255 WeakPolarHBondContact OD1-CG 3.47Å; D253-K255 PolarHBondContact OD1-N 3.39Å; K255-A257 VanDerWaalsContact C-N 3.29Å; K255-A257 PolarHBondContact O-N 2.83Å; K255-Y258 PolarHBondContact O-N 3.38Å; K255-L259 WeakPolarHBondContact O-CB 3.31Å; K255-L259 PolarHBondContact O-N 3.18Å
256	G	96.8	Very high	96.8	Very high	2 Å²	2	47.1 Å²	47.1	2%	0.021	23%	0.228	C	C	.	.	H	α-helix	trans	-61.7	-36.9	174.2	0	0	0	0	0	112.6	V159 D253 S254 L259 L260	V159-G256 WeakPolarHBondContact CG1-O 3.48Å; D253-G256 PolarHBondContact O-N 3.19Å; S254-G256 PolarHBondContact O-N 2.85Å; G256-L259 PolarHBondContact O-N 2.84Å; G256-L260 WeakPolarHBondContact O-CB 3.49Å; G256-L260 PolarHBondContact O-N 3.14Å
257	A	98.1	Very high	96.8	Very high	1 Å²	1	56 Å²	56	1%	0.008	27%	0.27	C	S	.	.	H	α-helix	trans	-67.8	-42.4	176.3	0	0	0	0	0	112	L243 Q245 S254 K255 L260 M261 L271	L243-A257 HydrophobicContact CD2-CB 3.82Å; L243-A257 WeakPolarHBondContact CD2-O 3.01Å; L243-A257 HydrophobicContact CG-CB 4.32Å; Q245-A257 HydrophobicContact CB-CB 3.87Å; Q245-A257 HydrophobicContact CG-CB 3.72Å; S254-A257 WeakPolarHBondContact O-CB 3.47Å; S254-A257 PolarHBondContact O-N 2.85Å; K255-A257 VanDerWaalsContact C-N 3.29Å; K255-A257 PolarHBondContact O-N 2.83Å; A257-L260 PolarHBondContact O-N 3.22Å; A257-M261 WeakPolarHBondContact O-CG 3.43Å; A257-M261 PolarHBondContact O-N 3.21Å; A257-M261 VanDerWaalsContact O-N 3.1Å; A257-L271 HydrophobicContact CB-CD1 4.24Å
258	Y	98.3	Very high	96.8	Very high	119 Å²	119	56.8 Å²	56.8	47%	0.467	27%	0.271	S	S	.	.	H	α-helix	trans	-65.3	-41.7	174.6	-60.6	-66.7	0	0	0	112	S254 K255 L260 M261 E262 L271 I273	S254-Y258 WeakPolarHBondContact O-CD2 3.48Å; S254-Y258 PolarHBondContact O-N 2.88Å; K255-Y258 PolarHBondContact O-N 3.38Å; Y258-L260 VanDerWaalsContact C-N 3.32Å; Y258-L260 PolarHBondContact O-N 3.46Å; Y258-M261 PolarHBondContact O-N 2.87Å; Y258-E262 WeakPolarHBondContact O-CB 3.3Å; Y258-E262 PolarHBondContact O-N 3.1Å; Y258-L271 HydrophobicContact CD1-CD2 3.77Å; Y258-L271 HydrophobicContact CE1-CD2 3.73Å; Y258-I273 HydrophobicContact CE1-CD1 4.37Å; Y258-I273 HydrophobicContact CE1-CG1 4.42Å
259	L	97.9	Very high	96.9	Very high	52 Å²	52	58.3 Å²	58.3	27%	0.272	27%	0.271	S	S	.	.	H	α-helix	trans	-59.9	-41.6	175.5	178.7	65.5	0	0	0	112	V159 L234 K255 G256 E262 S263	V159-L259 HydrophobicContact CG1-CD2 4.47Å; L234-L259 HydrophobicContact CD1-CD2 4.5Å; L234-L259 HydrophobicContact CD1-CG 4.17Å; K255-L259 WeakPolarHBondContact O-CB 3.31Å; K255-L259 PolarHBondContact O-N 3.18Å; G256-L259 PolarHBondContact O-N 2.84Å; L259-E262 PolarHBondContact O-N 3.49Å; L259-S263 WeakPolarHBondContact CD1-OG 3.46Å; L259-S263 WeakPolarHBondContact O-CB 3.45Å; L259-S263 PolarHBondContact O-N 3.18Å; L259-S263 PolarHBondContact O-OG 3.16Å
260	L	98.4	Very high	97	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60.9	-47.1	175	172.6	57.9	0	0	0	111.3	I139 L154 P157 V159 L234 L237 F241 L243 G256 A257 Y258 E262 S263 A264	I139-L260 HydrophobicContact CD1-CD2 4.26Å; L154-L260 HydrophobicContact CD1-CD2 3.71Å; P157-L260 HydrophobicContact CG-CD2 4.33Å; V159-L260 HydrophobicContact CG1-CB 4.49Å; V159-L260 HydrophobicContact CG2-CB 4.31Å; V159-L260 HydrophobicContact CG2-CD2 4.14Å; L234-L260 HydrophobicContact CD2-CD1 3.52Å; L237-L260 HydrophobicContact CD2-CD1 4.06Å; F241-L260 HydrophobicContact CE2-CD2 4.35Å; F241-L260 HydrophobicContact CE2-CG 4.18Å; F241-L260 HydrophobicContact CZ-CD1 4.3Å; F241-L260 HydrophobicContact CZ-CG 4.1Å; L243-L260 HydrophobicContact CD1-CD2 4.07Å; L243-L260 HydrophobicContact CD2-CB 4.34Å; L243-L260 HydrophobicContact CD2-CD2 3.79Å; L243-L260 HydrophobicContact CD2-CG 4.2Å; G256-L260 WeakPolarHBondContact O-CB 3.49Å; G256-L260 PolarHBondContact O-N 3.14Å; A257-L260 PolarHBondContact O-N 3.22Å; Y258-L260 VanDerWaalsContact C-N 3.32Å; Y258-L260 PolarHBondContact O-N 3.46Å; L260-E262 VanDerWaalsContact C-N 3.33Å; L260-E262 PolarHBondContact O-N 2.81Å; L260-S263 PolarHBondContact O-N 3.39Å; L260-A264 HydrophobicContact CD1-CB 4.24Å; L260-A264 WeakPolarHBondContact O-CB 3.34Å; L260-A264 PolarHBondContact O-N 2.93Å
261	M	98.6	Very high	97.3	Very high	40 Å²	40	56 Å²	56	20%	0.197	27%	0.272	C	S	.	.	H	α-helix	trans	-61.5	-39.5	177.2	-72.7	-61	-67.7	0	0	112.8	F241 L243 A257 Y258 K269 L271	F241-M261 HydrophobicContact CE2-SD 3.52Å; F241-M261 VanDerWaalsContact CE2-SD 3.52Å; F241-M261 HydrophobicContact CZ-SD 3.85Å; L243-M261 HydrophobicContact CD2-CG 3.98Å; L243-M261 HydrophobicContact CD2-SD 4.27Å; A257-M261 WeakPolarHBondContact O-CG 3.43Å; A257-M261 PolarHBondContact O-N 3.21Å; A257-M261 VanDerWaalsContact O-N 3.1Å; Y258-M261 PolarHBondContact O-N 2.87Å; M261-K269 HydrophobicContact CE-CB 4.09Å; M261-K269 HydrophobicContact CE-CD 4.3Å; M261-K269 HydrophobicContact CE-CG 4Å; M261-K269 WeakPolarHBondContact O-CE 3.34Å; M261-K269 PolarHBondContact O-NZ 3.14Å; M261-K269 HydrophobicContact SD-CB 4.15Å; M261-L271 HydrophobicContact CE-CB 3.99Å; M261-L271 HydrophobicContact CG-CB 3.75Å; M261-L271 HydrophobicContact CG-CD2 4Å; M261-L271 HydrophobicContact CG-CG 4.4Å; M261-L271 HydrophobicContact SD-CB 3.83Å
262	E	98.3	Very high	97.7	Very high	155 Å²	155	57 Å²	57	72%	0.724	27%	0.274	S	S	*	.	H	α-helix	trans	-71.2	-46.7	179.2	-175.3	178.1	-175.9	0	0	112.1	Y258 L259 L260	Y258-E262 WeakPolarHBondContact O-CB 3.3Å; Y258-E262 PolarHBondContact O-N 3.1Å; L259-E262 PolarHBondContact O-N 3.49Å; L260-E262 VanDerWaalsContact C-N 3.33Å; L260-E262 PolarHBondContact O-N 2.81Å
263	S	98.1	Very high	97.9	Very high	33 Å²	33	59.1 Å²	59.1	23%	0.231	29%	0.285	C	S	.	.	H	α-helix	trans	-83.8	-32	-167.8	-58.6	0	0	0	0	113.8	L259 L260	L259-S263 WeakPolarHBondContact CD1-OG 3.46Å; L259-S263 WeakPolarHBondContact O-CB 3.45Å; L259-S263 PolarHBondContact O-N 3.18Å; L259-S263 PolarHBondContact O-OG 3.16Å; L260-S263 PolarHBondContact O-N 3.39Å
264	A	98.3	Very high	98.2	Very high	2 Å²	2	58.6 Å²	58.6	2%	0.017	28%	0.281	C	S	.	.			trans	-65.2	139.7	-178.6	0	0	0	0	0	112.3	L234 L237 F241 L260 K269	L234-A264 WeakPolarHBondContact O-CA 3.45Å; L237-A264 HydrophobicContact CB-CB 4.42Å; L237-A264 HydrophobicContact CD2-CB 4.36Å; F241-A264 HydrophobicContact CE1-CB 3.72Å; F241-A264 HydrophobicContact CZ-CB 4.03Å; L260-A264 HydrophobicContact CD1-CB 4.24Å; L260-A264 WeakPolarHBondContact O-CB 3.34Å; L260-A264 PolarHBondContact O-N 2.93Å; A264-K269 PolarHBondContact O-NZ 3.47Å
265	K	98.4	Very high	98.3	Very high	120 Å²	120	64.8 Å²	64.8	52%	0.522	31%	0.307	S	S	.	.			trans	-90.9	1.7	178	-60	-56	-178.4	-167.1	0	113.7	P235 L237 T238 Q267	P235-K265 WeakPolarHBondContact O-CG 3.45Å; L237-K265 CarbonylContact O-C 3.56Å; L237-K265 WeakPolarHBondContact O-CA 3.21Å; L237-K265 PolarHBondContact O-N 2.77Å; T238-K265 HydrophobicContact CG2-CB 4.18Å; K265-Q267 PolarHBondContact O-N 2.86Å; K265-Q267 PolarHBondContact O-NE2 2.85Å; K265-Q267 VanDerWaalsContact O-NE2 3.12Å
266	S	98.6	Very high	98.4	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.014	29%	0.291	C	S	.	.			trans	-51.8	128.7	171	-52.4	0	0	0	0	110.8	L237 T238 V239 K269	L237-S266 PolarHBondContact O-N 2.81Å; L237-S266 PolarHBondContact O-OG 3.35Å; T238-S266 VanDerWaalsContact C-OG 3.26Å; V239-S266 WeakPolarHBondContact O-CB 3.47Å; V239-S266 PolarHBondContact O-OG 3.16Å; S266-K269 WeakPolarHBondContact O-CD 3.44Å; S266-K269 WeakPolarHBondContact O-CE 3.44Å
267	Q	98.4	Very high	98.5	Very high	187 Å²	187	59.4 Å²	59.4	87%	0.874	29%	0.29	S	S	*	.	S	Bend	trans	-77	-31.3	176.1	-60.7	-57.5	-58.3	0	0	111.3	K265	K265-Q267 PolarHBondContact O-N 2.86Å; K265-Q267 PolarHBondContact O-NE2 2.85Å; K265-Q267 VanDerWaalsContact O-NE2 3.12Å
268	D	98.6	Very high	98.5	Very high	52 Å²	52	62.1 Å²	62.1	28%	0.278	30%	0.301	S	S	.	.	S	Bend	trans	-107.6	98.1	177.2	179.6	13.9	0	0	0	109.6	P240 F241 R303	P240-D268 CarbonylContact C-O 3.48Å; P240-D268 WeakPolarHBondContact CA-O 3.41Å; P240-D268 HydrophobicContact CB-CB 3.96Å; P240-D268 HydrophobicContact CG-CB 4.3Å; F241-D268 PolarHBondContact N-O 2.73Å; D268-R303 IonicContact OD1-CZ 3.53Å; D268-R303 IonicContact OD1-NH2 2.65Å; D268-R303 PolarHBondContact OD1-NH2 2.9Å; D268-R303 IonicContact OD2-CZ 3.65Å; D268-R303 IonicContact OD2-NE 2.73Å; D268-R303 PolarHBondContact OD2-NE 3.13Å; D268-R303 IonicContact OD2-NH2 3.6Å; D268-R303 PolarHBondContact OD2-NH2 3.08Å
269	K	98.7	Very high	98.5	Very high	67 Å²	67	56.7 Å²	56.7	29%	0.291	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	128.6	-179	51.7	-178.7	174.1	177.7	0	110.4	F241 M261 A264 S266	F241-K269 HydrophobicContact CD1-CB 4.07Å; F241-K269 HydrophobicContact CD2-CB 4.32Å; F241-K269 HydrophobicContact CE1-CB 3.54Å; F241-K269 HydrophobicContact CE1-CD 4.26Å; F241-K269 HydrophobicContact CE2-CB 3.83Å; F241-K269 HydrophobicContact CG-CB 4.44Å; F241-K269 HydrophobicContact CZ-CB 3.41Å; F241-K269 VanDerWaalsContact CZ-CB 3.41Å; F241-K269 HydrophobicContact CZ-CD 4.05Å; F241-K269 HydrophobicContact CZ-CG 4.36Å; F241-K269 WeakPolarHBondContact O-CA 3.28Å; M261-K269 HydrophobicContact CE-CB 4.09Å; M261-K269 HydrophobicContact CE-CD 4.3Å; M261-K269 HydrophobicContact CE-CG 4Å; M261-K269 WeakPolarHBondContact O-CE 3.34Å; M261-K269 PolarHBondContact O-NZ 3.14Å; M261-K269 HydrophobicContact SD-CB 4.15Å; A264-K269 PolarHBondContact O-NZ 3.47Å; S266-K269 WeakPolarHBondContact O-CD 3.44Å; S266-K269 WeakPolarHBondContact O-CE 3.44Å
270	T	98.8	Very high	98.5	Very high	61 Å²	61	54.9 Å²	54.9	37%	0.374	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	132.1	-178	-56.6	0	0	0	0	110	F241 L242 L243	F241-T270 PolarHBondContact O-N 3.42Å; L242-T270 HydrophobicContact CD1-CG2 4.19Å; L243-T270 PolarHBondContact N-O 2.83Å
271	L	98.9	Very high	98.5	Very high	46 Å²	46	54.9 Å²	54.9	24%	0.241	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	134	173	169.2	64.4	0	0	0	110.1	L243 Q245 A257 Y258 M261 I273	L243-L271 HydrophobicContact CB-CD1 4.22Å; L243-L271 HydrophobicContact CD2-CD1 3.84Å; L243-L271 HydrophobicContact CG-CD1 3.71Å; L243-L271 CarbonylContact O-C 3.52Å; L243-L271 WeakPolarHBondContact O-CA 3.44Å; Q245-L271 HydrophobicContact CB-CD1 4.34Å; A257-L271 HydrophobicContact CB-CD1 4.24Å; Y258-L271 HydrophobicContact CD1-CD2 3.77Å; Y258-L271 HydrophobicContact CE1-CD2 3.73Å; M261-L271 HydrophobicContact CE-CB 3.99Å; M261-L271 HydrophobicContact CG-CB 3.75Å; M261-L271 HydrophobicContact CG-CD2 4Å; M261-L271 HydrophobicContact CG-CG 4.4Å; M261-L271 HydrophobicContact SD-CB 3.83Å; L271-I273 HydrophobicContact CD1-CD1 3.84Å; L271-I273 HydrophobicContact CD1-CG1 4.33Å; L271-I273 HydrophobicContact CD2-CD1 4.15Å; L271-I273 HydrophobicContact CD2-CG1 4.26Å; L271-I273 HydrophobicContact CG-CD1 4.21Å; L271-I273 HydrophobicContact CG-CG1 4.24Å
272	K	98.8	Very high	98.5	Very high	66 Å²	66	53.1 Å²	53.1	29%	0.287	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	121.5	166.5	-167.8	-179.8	-179.9	98.5	0	110.1	L243 L244 Q245 Y274 S291 E295	L243-K272 PolarHBondContact O-N 3.24Å; L244-K272 HydrophobicContact CD2-CB 3.78Å; L244-K272 HydrophobicContact CD2-CD 4.39Å; Q245-K272 PolarHBondContact N-O 3.16Å; K272-Y274 HydrophobicContact CD-CE1 4.41Å; K272-Y274 HydrophobicContact CD-CE2 4.09Å; K272-Y274 WeakPolarHBondContact CD-OH 3.4Å; K272-Y274 HydrophobicContact CG-CE2 4.25Å; K272-S291 WeakPolarHBondContact CE-OG 3.38Å; K272-E295 HydrophobicContact CD-CG 3.64Å; K272-E295 WeakPolarHBondContact CE-OE1 3.16Å; K272-E295 IonicContact NZ-OE1 3.83Å; K272-E295 PolarHBondContact NZ-OE1 3.33Å
273	I	98.8	Very high	98.5	Very high	49 Å²	49	47 Å²	47	25%	0.251	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	132.8	174	-60.4	-66.9	0	0	0	109.4	Q245 Y258 L271	Q245-I273 HydrophobicContact CB-CD1 3.93Å; Q245-I273 HydrophobicContact CG-CD1 4.1Å; Q245-I273 CarbonylContact O-C 3.47Å; Q245-I273 VanDerWaalsContact O-CA 3.3Å; Q245-I273 WeakPolarHBondContact O-CA 3.11Å; Y258-I273 HydrophobicContact CE1-CD1 4.37Å; Y258-I273 HydrophobicContact CE1-CG1 4.42Å; L271-I273 HydrophobicContact CD1-CD1 3.84Å; L271-I273 HydrophobicContact CD1-CG1 4.33Å; L271-I273 HydrophobicContact CD2-CD1 4.15Å; L271-I273 HydrophobicContact CD2-CG1 4.26Å; L271-I273 HydrophobicContact CG-CD1 4.21Å; L271-I273 HydrophobicContact CG-CG1 4.24Å
274	Y	98.8	Very high	98.5	Very high	17 Å²	17	45.5 Å²	45.5	7%	0.067	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	104.9	171.9	-69.6	-86.2	0	0	0	109.7	L244 Q245 S247 K272 G276 A277 L281 V288 S291 V292	L244-Y274 HydrophobicContact CB-CE2 4.18Å; L244-Y274 HydrophobicContact CD2-CE2 4.18Å; Q245-Y274 PolarHBondContact O-N 3.46Å; S247-Y274 PolarHBondContact N-O 2.82Å; K272-Y274 HydrophobicContact CD-CE1 4.41Å; K272-Y274 HydrophobicContact CD-CE2 4.09Å; K272-Y274 WeakPolarHBondContact CD-OH 3.4Å; K272-Y274 HydrophobicContact CG-CE2 4.25Å; Y274-G276 PolarHBondContact O-N 2.97Å; Y274-A277 WeakPolarHBondContact O-CB 3.45Å; Y274-A277 PolarHBondContact O-N 3.22Å; Y274-L281 HydrophobicContact CD2-CD1 3.87Å; Y274-L281 HydrophobicContact CD2-CD2 4.3Å; Y274-L281 HydrophobicContact CE2-CD1 4.29Å; Y274-L281 HydrophobicContact CG-CD2 4.46Å; Y274-V288 HydrophobicContact CD1-CB 4.3Å; Y274-V288 HydrophobicContact CD1-CG1 3.73Å; Y274-V288 HydrophobicContact CD1-CG2 4.17Å; Y274-V288 HydrophobicContact CE1-CG1 4.17Å; Y274-V288 HydrophobicContact CG-CG1 3.99Å; Y274-S291 WeakPolarHBondContact CE1-OG 3.37Å; Y274-S291 PolarHBondContact OH-OG 3.48Å; Y274-S291 VanDerWaalsContact OH-OG 3.04Å; Y274-V292 HydrophobicContact CE1-CG2 4.26Å; Y274-V292 HydrophobicContact CE2-CG2 3.77Å; Y274-V292 WeakPolarHBondContact OH-CA 3.44Å; Y274-V292 PolarHBondContact OH-N 3.01Å
275	E	98.6	Very high	98.6	Very high	154 Å²	154	47.8 Å²	47.8	72%	0.72	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	127.9	-175.2	-163.7	55.4	-123.8	0	0	111.6	S247 A277	S247-E275 WeakPolarHBondContact OG-CA 3.43Å; S247-E275 VanDerWaalsContact OG-CD 3.24Å; S247-E275 PolarHBondContact OG-OE1 2.78Å; E275-A277 PolarHBondContact O-N 3.16Å; E275-A277 VanDerWaalsContact O-N 3.14Å
276	G	98.1	Very high	98.6	Very high	25 Å²	25	45.9 Å²	45.9	26%	0.258	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	-2.3	-177.9	0	0	0	0	0	115.4	R196 S247 Y274	R196-G276 WeakPolarHBondContact CD-O 3.3Å; R196-G276 VanDerWaalsContact CZ-O 3.26Å; R196-G276 PolarHBondContact NE-O 2.94Å; R196-G276 PolarHBondContact NH1-O 3.42Å; S247-G276 PolarHBondContact OG-N 3.06Å; Y274-G276 PolarHBondContact O-N 2.97Å
277	A	98.6	Very high	98.6	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.267	C	S	.	.			trans	-74.9	147.4	177.9	0	0	0	0	0	111.8	G246 A248 Y274 E275 L281 E284 V288	G246-A277 CarbonylContact C-O 3.53Å; G246-A277 WeakPolarHBondContact CA-O 3.47Å; A248-A277 CarbonylContact C-O 3.58Å; A248-A277 PolarHBondContact N-O 3.44Å; A248-A277 VanDerWaalsContact N-O 3.13Å; Y274-A277 WeakPolarHBondContact O-CB 3.45Å; Y274-A277 PolarHBondContact O-N 3.22Å; E275-A277 PolarHBondContact O-N 3.16Å; E275-A277 VanDerWaalsContact O-N 3.14Å; A277-L281 HydrophobicContact CB-CD2 3.63Å; A277-E284 HydrophobicContact CB-CG 4.39Å; A277-V288 HydrophobicContact CB-CG1 4.2Å; A277-V288 HydrophobicContact CB-CG2 4.19Å
278	Y	98.4	Very high	98.6	Very high	58 Å²	58	45 Å²	45	23%	0.227	23%	0.23	C	C	.	.			trans	-89	-157.2	180	-68.2	5.2	0	0	0	111.1	V193 L194 R196 A248 L281 E284	V193-Y278 WeakPolarHBondContact O-CD2 3.47Å; L194-Y278 WeakPolarHBondContact O-CB 3.21Å; R196-Y278 HydrophobicContact CG-CD1 3.82Å; R196-Y278 HydrophobicContact CG-CD2 3.86Å; R196-Y278 HydrophobicContact CG-CE1 3.7Å; R196-Y278 HydrophobicContact CG-CE2 3.76Å; R196-Y278 HydrophobicContact CG-CG 3.89Å; A248-Y278 HydrophobicContact CB-CD1 3.93Å; A248-Y278 HydrophobicContact CB-CE1 4.02Å; Y278-L281 VanDerWaalsContact O-CD2 3.28Å; Y278-L281 WeakPolarHBondContact O-CD2 3.42Å; Y278-E284 WeakPolarHBondContact CB-OE1 3.39Å; Y278-E284 PolarHBondContact N-OE1 3.23Å; Y278-E284 VanDerWaalsContact N-OE1 3.08Å
279	H	98.1	Very high	98.6	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.019	22%	0.223	C	C	.	.	S	Bend	trans	-72.2	-46.6	-168	-172.2	54.7	0	0	0	113.9	H131 S132 S156 L194 D249 L251 C252 L281	H131-H279 AromaticContact CE1-CD2 3.66Å; H131-H279 AromaticContact CE1-CE1 3.9Å; H131-H279 AromaticContact CE1-NE2 3.5Å; H131-H279 PolarHBondContact CE1-O 2.8Å; H131-H279 AromaticContact NE2-CD2 3.81Å; H131-H279 AromaticContact NE2-NE2 3.74Å; S132-H279 WeakPolarHBondContact CB-NE2 3.49Å; S132-H279 PolarHBondContact OG-CE1 3.5Å; S132-H279 PolarHBondContact OG-NE2 3.16Å; S156-H279 WeakPolarHBondContact CB-O 3.38Å; S156-H279 PolarHBondContact OG-O 3.33Å; L194-H279 PolarHBondContact O-N 2.98Å; L194-H279 VanDerWaalsContact O-N 3.13Å; D249-H279 VanDerWaalsContact CG-ND1 3.29Å; D249-H279 IonicContact OD1-CG 2.73Å; D249-H279 IonicContact OD1-ND1 3.32Å; D249-H279 PolarHBondContact OD1-ND1 3.4Å; D249-H279 VanDerWaalsContact OD1-ND1 3.13Å; D249-H279 IonicContact OD2-CE1 2.99Å; D249-H279 IonicContact OD2-CG 2.77Å; D249-H279 IonicContact OD2-ND1 3.58Å; D249-H279 PolarHBondContact OD2-ND1 3.27Å; L251-H279 HydrophobicContact CD1-CB 4.31Å; C252-H279 PolarHBondContact SG-CE1 3.13Å; H279-L281 PolarHBondContact O-N 3.04Å; H279-L281 VanDerWaalsContact O-N 3.14Å
280	V	98.2	Very high	98.6	Very high	15 Å²	15	45.6 Å²	45.6	9%	0.091	24%	0.237	C	C	.	.			trans	-94	70.6	-168.9	-166.5	0	0	0	0	110.3	L194 H282 K283 E284	L194-V280 HydrophobicContact CB-CG2 3.84Å; L194-V280 HydrophobicContact CD2-CG2 4.42Å; L194-V280 PolarHBondContact O-N 3.01Å; V280-H282 VanDerWaalsContact CG1-CE1 3.46Å; V280-H282 WeakPolarHBondContact CG1-CE1 3.2Å; V280-H282 PolarHBondContact O-N 3.18Å; V280-H282 VanDerWaalsContact O-N 3.1Å; V280-K283 HydrophobicContact CB-CB 4.49Å; V280-K283 HydrophobicContact CG1-CB 3.78Å; V280-K283 HydrophobicContact CG1-CG 4.02Å; V280-K283 CarbonylContact O-C 3.58Å; V280-K283 VanDerWaalsContact O-C 3.26Å; V280-K283 WeakPolarHBondContact O-CA 3.49Å; V280-K283 PolarHBondContact O-N 3.36Å; V280-E284 PolarHBondContact O-N 2.83Å
281	L	98.8	Very high	98.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-58.2	-28.1	-170.9	-59.1	175.8	0	0	0	114.8	I155 L244 Y274 A277 Y278 H279 K283 V288 T289 V292	I155-L281 HydrophobicContact CG2-CB 3.87Å; I155-L281 HydrophobicContact CG2-CD1 4.14Å; I155-L281 HydrophobicContact CG2-CG 4.27Å; L244-L281 HydrophobicContact CB-CD1 3.93Å; Y274-L281 HydrophobicContact CD2-CD1 3.87Å; Y274-L281 HydrophobicContact CD2-CD2 4.3Å; Y274-L281 HydrophobicContact CE2-CD1 4.29Å; Y274-L281 HydrophobicContact CG-CD2 4.46Å; A277-L281 HydrophobicContact CB-CD2 3.63Å; Y278-L281 VanDerWaalsContact O-CD2 3.28Å; Y278-L281 WeakPolarHBondContact O-CD2 3.42Å; H279-L281 PolarHBondContact O-N 3.04Å; H279-L281 VanDerWaalsContact O-N 3.14Å; L281-K283 PolarHBondContact O-N 2.85Å; L281-V288 HydrophobicContact CB-CG1 4.48Å; L281-V288 HydrophobicContact CD2-CG1 4.15Å; L281-T289 PolarHBondContact O-OG1 2.67Å; L281-V292 HydrophobicContact CB-CG2 3.81Å
282	H	98.5	Very high	98.6	Very high	3 Å²	3	41.9 Å²	41.9	1%	0.014	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-81.6	-1.8	177.7	60	-81	0	0	0	113.1	L71 H131 I155 V280 T289 V292 F293	L71-H282 HydrophobicContact CD1-CB 4.15Å; H131-H282 AromaticContact CD2-CE1 3.73Å; H131-H282 AromaticContact CG-CE1 3.75Å; I155-H282 HydrophobicContact CD1-CB 4.3Å; V280-H282 VanDerWaalsContact CG1-CE1 3.46Å; V280-H282 WeakPolarHBondContact CG1-CE1 3.2Å; V280-H282 PolarHBondContact O-N 3.18Å; V280-H282 VanDerWaalsContact O-N 3.1Å; H282-T289 WeakPolarHBondContact O-CG2 3.42Å; H282-V292 HydrophobicContact CB-CG1 4.23Å; H282-F293 HydrophobicContact CB-CE2 4.36Å
283	K	98.6	Very high	98.6	Very high	26 Å²	26	40.7 Å²	40.7	11%	0.113	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-135.1	32.5	174.7	-60.7	-62.7	-165.4	172.8	0	110.4	E70 S195 E200 V280 L281	E70-K283 IonicContact OE2-NZ 3.81Å; E70-K283 PolarHBondContact OE2-NZ 3.28Å; S195-K283 WeakPolarHBondContact CB-O 3.42Å; S195-K283 PolarHBondContact OG-O 3.26Å; E200-K283 HydrophobicContact CB-CB 4.13Å; E200-K283 WeakPolarHBondContact CB-O 3.45Å; E200-K283 HydrophobicContact CG-CB 4.06Å; E200-K283 HydrophobicContact CG-CD 4.47Å; E200-K283 IonicContact OE1-NZ 3.11Å; E200-K283 WeakPolarHBondContact OE2-CD 3.37Å; E200-K283 IonicContact OE2-NZ 2.63Å; V280-K283 HydrophobicContact CB-CB 4.49Å; V280-K283 HydrophobicContact CG1-CB 3.78Å; V280-K283 HydrophobicContact CG1-CG 4.02Å; V280-K283 CarbonylContact O-C 3.58Å; V280-K283 VanDerWaalsContact O-C 3.26Å; V280-K283 WeakPolarHBondContact O-CA 3.49Å; V280-K283 PolarHBondContact O-N 3.36Å; L281-K283 PolarHBondContact O-N 2.85Å
284	E	98.6	Very high	98.6	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	23%	0.225	C	C	.	.	S	Bend	trans	-90.6	-168.1	179.2	-113	-73.6	160.1	0	0	111.1	S195 R196 N197 A277 Y278 V280 V288 T289	S195-E284 WeakPolarHBondContact OG-CA 3.5Å; R196-E284 WeakPolarHBondContact CG-OE1 3.47Å; R196-E284 IonicContact CZ-OE2 3.3Å; R196-E284 VanDerWaalsContact CZ-OE2 3.3Å; R196-E284 PolarHBondContact N-OE1 3.39Å; R196-E284 IonicContact NE-OE1 3.17Å; R196-E284 PolarHBondContact NE-OE1 2.95Å; R196-E284 VanDerWaalsContact NE-OE1 3.17Å; R196-E284 IonicContact NE-OE2 2.94Å; R196-E284 PolarHBondContact NE-OE2 3.14Å; R196-E284 IonicContact NH2-OE2 2.78Å; R196-E284 PolarHBondContact NH2-OE2 2.73Å; N197-E284 WeakPolarHBondContact CB-O 3.37Å; N197-E284 PolarHBondContact ND2-O 2.8Å; N197-E284 VanDerWaalsContact ND2-O 3.11Å; A277-E284 HydrophobicContact CB-CG 4.39Å; Y278-E284 WeakPolarHBondContact CB-OE1 3.39Å; Y278-E284 PolarHBondContact N-OE1 3.23Å; Y278-E284 VanDerWaalsContact N-OE1 3.08Å; V280-E284 PolarHBondContact O-N 2.83Å; E284-V288 HydrophobicContact CB-CB 3.95Å; E284-V288 HydrophobicContact CB-CG1 3.72Å; E284-V288 HydrophobicContact CG-CG1 4.28Å; E284-T289 PolarHBondContact N-OG1 2.96Å; E284-T289 PolarHBondContact O-OG1 3.08Å
285	L	98.7	Very high	98.6	Very high	50 Å²	50	45.3 Å²	45.3	26%	0.262	23%	0.234	S	C	.	.			trans	-53.5	146.6	171	-66.2	179.1	0	0	0	110.8	R196 N197 E287 V288 T289	R196-L285 HydrophobicContact CB-CD1 4.29Å; R196-L285 HydrophobicContact CB-CD2 4.33Å; R196-L285 HydrophobicContact CB-CG 4.05Å; N197-L285 HydrophobicContact CB-CD2 4.28Å; L285-E287 HydrophobicContact CB-CG 4.32Å; L285-E287 PolarHBondContact O-N 3.19Å; L285-V288 PolarHBondContact O-N 3.11Å; L285-T289 PolarHBondContact O-N 2.98Å; L285-T289 PolarHBondContact O-OG1 2.94Å
286	P	98.4	Very high	98.6	Very high	80 Å²	80	38 Å²	38	52%	0.519	20%	0.199	S	C	.	.	H	α-helix	trans	-52.4	-38.5	-171.2	-29.9	35.6	0	0	0	114.4	T289 N290	P286-T289 PolarHBondContact O-N 3.45Å; P286-N290 WeakPolarHBondContact O-CB 3.43Å; P286-N290 PolarHBondContact O-N 2.78Å; P286-N290 PolarHBondContact O-ND2 3.13Å; P286-N290 PolarHBondContact O-OD1 2.94Å
287	E	98.4	Very high	98.6	Very high	155 Å²	155	39 Å²	39	72%	0.724	20%	0.199	S	C	*	.	H	α-helix	trans	-62.7	-41	177.5	32.6	-177.6	160.9	0	0	113.2	L285 S291	L285-E287 HydrophobicContact CB-CG 4.32Å; L285-E287 PolarHBondContact O-N 3.19Å; E287-S291 WeakPolarHBondContact O-CB 3.38Å; E287-S291 PolarHBondContact O-N 3.17Å
288	V	98.8	Very high	98.6	Very high	15 Å²	15	42.7 Å²	42.7	9%	0.091	22%	0.217	C	C	.	.	H	α-helix	trans	-70.2	-50	174.1	171.3	0	0	0	0	110.1	Y274 A277 L281 E284 L285 N290 S291 V292	Y274-V288 HydrophobicContact CD1-CB 4.3Å; Y274-V288 HydrophobicContact CD1-CG1 3.73Å; Y274-V288 HydrophobicContact CD1-CG2 4.17Å; Y274-V288 HydrophobicContact CE1-CG1 4.17Å; Y274-V288 HydrophobicContact CG-CG1 3.99Å; A277-V288 HydrophobicContact CB-CG1 4.2Å; A277-V288 HydrophobicContact CB-CG2 4.19Å; L281-V288 HydrophobicContact CB-CG1 4.48Å; L281-V288 HydrophobicContact CD2-CG1 4.15Å; E284-V288 HydrophobicContact CB-CB 3.95Å; E284-V288 HydrophobicContact CB-CG1 3.72Å; E284-V288 HydrophobicContact CG-CG1 4.28Å; L285-V288 PolarHBondContact O-N 3.11Å; V288-N290 PolarHBondContact O-N 3.1Å; V288-S291 PolarHBondContact O-N 2.67Å; V288-S291 VanDerWaalsContact O-N 3.16Å; V288-V292 HydrophobicContact CG1-CG2 4.27Å; V288-V292 WeakPolarHBondContact O-CG2 3.43Å; V288-V292 PolarHBondContact O-N 3.02Å
289	T	98.8	Very high	98.6	Very high	20 Å²	20	40.5 Å²	40.5	12%	0.123	21%	0.209	C	C	.	.	H	α-helix	trans	-60.2	-45.2	-178	-58.9	0	0	0	0	111.8	L281 H282 E284 L285 P286 S291 V292 F293	L281-T289 PolarHBondContact O-OG1 2.67Å; H282-T289 WeakPolarHBondContact O-CG2 3.42Å; E284-T289 PolarHBondContact N-OG1 2.96Å; E284-T289 PolarHBondContact O-OG1 3.08Å; L285-T289 PolarHBondContact O-N 2.98Å; L285-T289 PolarHBondContact O-OG1 2.94Å; P286-T289 PolarHBondContact O-N 3.45Å; T289-S291 VanDerWaalsContact C-N 3.32Å; T289-S291 PolarHBondContact O-N 3.4Å; T289-V292 WeakPolarHBondContact O-CB 3.24Å; T289-V292 PolarHBondContact O-N 2.98Å; T289-V292 VanDerWaalsContact O-N 3.16Å; T289-F293 HydrophobicContact CG2-CD2 3.93Å; T289-F293 HydrophobicContact CG2-CE2 3.72Å; T289-F293 WeakPolarHBondContact O-CD2 3.43Å; T289-F293 PolarHBondContact O-N 3.06Å
290	N	98.7	Very high	98.6	Very high	112 Å²	112	40.3 Å²	40.3	60%	0.599	21%	0.208	S	C	*	.	H	α-helix	trans	-61.3	-41.4	176.8	-70.4	-15.7	0	0	0	111.6	P286 V288 F293 H294	P286-N290 WeakPolarHBondContact O-CB 3.43Å; P286-N290 PolarHBondContact O-N 2.78Å; P286-N290 PolarHBondContact O-ND2 3.13Å; P286-N290 PolarHBondContact O-OD1 2.94Å; V288-N290 PolarHBondContact O-N 3.1Å; N290-F293 PolarHBondContact O-N 3.47Å; N290-H294 WeakPolarHBondContact O-CB 3.09Å; N290-H294 PolarHBondContact O-N 3.07Å
291	S	98.8	Very high	98.6	Very high	30 Å²	30	41.3 Å²	41.3	21%	0.21	22%	0.215	C	C	.	.	H	α-helix	trans	-65.1	-42.9	174.5	173.9	0	0	0	0	111.5	K272 Y274 E287 V288 T289 F293 H294 E295	K272-S291 WeakPolarHBondContact CE-OG 3.38Å; Y274-S291 WeakPolarHBondContact CE1-OG 3.37Å; Y274-S291 PolarHBondContact OH-OG 3.48Å; Y274-S291 VanDerWaalsContact OH-OG 3.04Å; E287-S291 WeakPolarHBondContact O-CB 3.38Å; E287-S291 PolarHBondContact O-N 3.17Å; V288-S291 PolarHBondContact O-N 2.67Å; V288-S291 VanDerWaalsContact O-N 3.16Å; T289-S291 VanDerWaalsContact C-N 3.32Å; T289-S291 PolarHBondContact O-N 3.4Å; S291-F293 VanDerWaalsContact C-N 3.33Å; S291-F293 PolarHBondContact O-N 2.81Å; S291-H294 PolarHBondContact O-N 3.28Å; S291-E295 WeakPolarHBondContact O-CB 3.42Å; S291-E295 WeakPolarHBondContact O-CG 3.45Å; S291-E295 PolarHBondContact O-N 3.14Å
292	V	98.8	Very high	98.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-56.3	-49.1	176.1	166.5	0	0	0	0	110.6	L244 Y274 L281 H282 V288 T289 H294 E295 I296	L244-V292 HydrophobicContact CD1-CB 4.38Å; L244-V292 HydrophobicContact CD1-CG1 3.87Å; L244-V292 HydrophobicContact CD1-CG2 4.3Å; Y274-V292 HydrophobicContact CE1-CG2 4.26Å; Y274-V292 HydrophobicContact CE2-CG2 3.77Å; Y274-V292 WeakPolarHBondContact OH-CA 3.44Å; Y274-V292 PolarHBondContact OH-N 3.01Å; L281-V292 HydrophobicContact CB-CG2 3.81Å; H282-V292 HydrophobicContact CB-CG1 4.23Å; V288-V292 HydrophobicContact CG1-CG2 4.27Å; V288-V292 WeakPolarHBondContact O-CG2 3.43Å; V288-V292 PolarHBondContact O-N 3.02Å; T289-V292 WeakPolarHBondContact O-CB 3.24Å; T289-V292 PolarHBondContact O-N 2.98Å; T289-V292 VanDerWaalsContact O-N 3.16Å; V292-H294 VanDerWaalsContact C-N 3.34Å; V292-H294 PolarHBondContact O-N 3.44Å; V292-E295 PolarHBondContact O-N 2.93Å; V292-I296 HydrophobicContact CG1-CD1 3.77Å; V292-I296 VanDerWaalsContact O-CG1 3.22Å; V292-I296 WeakPolarHBondContact O-CG1 3.39Å; V292-I296 PolarHBondContact O-N 2.97Å
293	F	98.8	Very high	98.5	Very high	40 Å²	40	48.4 Å²	48.4	18%	0.175	25%	0.247	C	C	.	.	H	α-helix	trans	-61.4	-43.2	178.4	-84.6	-122.3	0	0	0	111.6	E70 L71 M74 H282 T289 N290 S291 N297	E70-F293 HydrophobicContact CB-CE1 3.98Å; E70-F293 HydrophobicContact CB-CZ 3.9Å; L71-F293 HydrophobicContact CB-CE1 4.27Å; L71-F293 HydrophobicContact CB-CZ 3.99Å; L71-F293 HydrophobicContact CD1-CE2 4.26Å; L71-F293 HydrophobicContact CD1-CZ 4.47Å; L71-F293 HydrophobicContact CG-CZ 4.49Å; M74-F293 HydrophobicContact CB-CD1 4.23Å; M74-F293 HydrophobicContact CB-CE1 4.49Å; M74-F293 HydrophobicContact CG-CD1 4.36Å; H282-F293 HydrophobicContact CB-CE2 4.36Å; T289-F293 HydrophobicContact CG2-CD2 3.93Å; T289-F293 HydrophobicContact CG2-CE2 3.72Å; T289-F293 WeakPolarHBondContact O-CD2 3.43Å; T289-F293 PolarHBondContact O-N 3.06Å; N290-F293 PolarHBondContact O-N 3.47Å; S291-F293 VanDerWaalsContact C-N 3.33Å; S291-F293 PolarHBondContact O-N 2.81Å; F293-N297 WeakPolarHBondContact O-CB 3.43Å; F293-N297 PolarHBondContact O-N 3.21Å
294	H	98.8	Very high	98.3	Very high	111 Å²	111	47.8 Å²	47.8	51%	0.514	25%	0.245	S	C	.	.	H	α-helix	trans	-63.1	-46.3	178.1	-179.6	67.7	0	0	0	112.7	N290 S291 V292 N297 M298	N290-H294 WeakPolarHBondContact O-CB 3.09Å; N290-H294 PolarHBondContact O-N 3.07Å; S291-H294 PolarHBondContact O-N 3.28Å; V292-H294 VanDerWaalsContact C-N 3.34Å; V292-H294 PolarHBondContact O-N 3.44Å; H294-N297 WeakPolarHBondContact O-CB 3.46Å; H294-N297 PolarHBondContact O-N 3.16Å; H294-M298 WeakPolarHBondContact O-CB 3.45Å; H294-M298 WeakPolarHBondContact O-CG 3.46Å; H294-M298 PolarHBondContact O-N 2.77Å
295	E	98.8	Very high	97.3	Very high	52 Å²	52	51.1 Å²	51.1	24%	0.243	27%	0.272	C	S	.	.	H	α-helix	trans	-64.7	-42.6	-179.1	-66.3	-69.8	167.2	0	0	111.6	L242 L244 K272 S291 V292 M298 W299	L242-E295 HydrophobicContact CD2-CB 4.41Å; L244-E295 HydrophobicContact CD2-CB 4.47Å; K272-E295 HydrophobicContact CD-CG 3.64Å; K272-E295 WeakPolarHBondContact CE-OE1 3.16Å; K272-E295 IonicContact NZ-OE1 3.83Å; K272-E295 PolarHBondContact NZ-OE1 3.33Å; S291-E295 WeakPolarHBondContact O-CB 3.42Å; S291-E295 WeakPolarHBondContact O-CG 3.45Å; S291-E295 PolarHBondContact O-N 3.14Å; V292-E295 PolarHBondContact O-N 2.93Å; E295-M298 PolarHBondContact O-N 3.34Å; E295-W299 WeakPolarHBondContact O-CB 3.46Å; E295-W299 PolarHBondContact O-N 2.69Å
296	I	98.8	Very high	95.4	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.1	-46.8	175.3	-64.5	173	0	0	0	110.1	L71 M74 L75 L129 V153 I155 L242 L244 V292 M298 W299 V300	L71-I296 HydrophobicContact CD1-CD1 3.88Å; M74-I296 HydrophobicContact CE-CB 4.16Å; M74-I296 HydrophobicContact CE-CG2 3.89Å; L75-I296 HydrophobicContact CD2-CG2 4.09Å; L129-I296 HydrophobicContact CD1-CD1 4.47Å; L129-I296 HydrophobicContact CD1-CG2 4.43Å; V153-I296 HydrophobicContact CG1-CD1 3.83Å; V153-I296 HydrophobicContact CG1-CG1 3.71Å; V153-I296 HydrophobicContact CG1-CG2 4.28Å; V153-I296 HydrophobicContact CG2-CG2 4.39Å; I155-I296 HydrophobicContact CD1-CD1 3.95Å; I155-I296 HydrophobicContact CG1-CD1 4.48Å; L242-I296 HydrophobicContact CD2-CG1 4.13Å; L244-I296 HydrophobicContact CD1-CD1 4.04Å; L244-I296 HydrophobicContact CD1-CG1 3.88Å; V292-I296 HydrophobicContact CG1-CD1 3.77Å; V292-I296 VanDerWaalsContact O-CG1 3.22Å; V292-I296 WeakPolarHBondContact O-CG1 3.39Å; V292-I296 PolarHBondContact O-N 2.97Å; I296-M298 PolarHBondContact O-N 2.88Å; I296-W299 PolarHBondContact O-N 3.44Å; I296-V300 HydrophobicContact CG2-CG2 4.17Å; I296-V300 WeakPolarHBondContact O-CB 3.33Å; I296-V300 VanDerWaalsContact O-CG2 3.28Å; I296-V300 WeakPolarHBondContact O-CG2 3.3Å; I296-V300 PolarHBondContact O-N 3.28Å
297	N	98.7	Very high	93.3	Very high	47 Å²	47	51.3 Å²	51.3	25%	0.251	28%	0.279	S	S	.	.	H	α-helix	trans	-56.1	-51.9	178.6	-176.1	-60.3	0	0	0	111.2	M74 L78 F293 H294 S301	M74-N297 HydrophobicContact CE-CB 4.23Å; M74-N297 HydrophobicContact SD-CB 3.64Å; M74-N297 PolarHBondContact SD-ND2 3.39Å; M74-N297 VanDerWaalsContact SD-ND2 3.4Å; L78-N297 HydrophobicContact CD1-CB 4.42Å; F293-N297 WeakPolarHBondContact O-CB 3.43Å; F293-N297 PolarHBondContact O-N 3.21Å; H294-N297 WeakPolarHBondContact O-CB 3.46Å; H294-N297 PolarHBondContact O-N 3.16Å; N297-S301 WeakPolarHBondContact O-CB 3.36Å; N297-S301 PolarHBondContact O-N 3.26Å; N297-S301 PolarHBondContact O-OG 3.32Å; N297-S301 PolarHBondContact OD1-OG 3.33Å
298	M	98.5	Very high	90.9	Very high	78 Å²	78	47.2 Å²	47.2	38%	0.384	28%	0.278	S	S	.	.	H	α-helix	trans	-62.2	-47.7	-179.7	-72.3	-60.5	-61.2	0	0	111.7	H294 E295 I296 S301 Q302	H294-M298 WeakPolarHBondContact O-CB 3.45Å; H294-M298 WeakPolarHBondContact O-CG 3.46Å; H294-M298 PolarHBondContact O-N 2.77Å; E295-M298 PolarHBondContact O-N 3.34Å; I296-M298 PolarHBondContact O-N 2.88Å; M298-S301 PolarHBondContact O-N 2.9Å; M298-Q302 VanDerWaalsContact O-CG 3.23Å; M298-Q302 WeakPolarHBondContact O-CG 3.28Å; M298-Q302 PolarHBondContact O-N 2.89Å; M298-Q302 VanDerWaalsContact O-N 3.08Å
299	W	98.7	Very high	88.2	Confident	12 Å²	12	52 Å²	52	5%	0.045	31%	0.308	C	S	.	.	H	α-helix	trans	-65	-43	-175.8	-169.5	97.5	0	0	0	112.3	F127 V153 P240 F241 L242 E295 I296 R303	F127-W299 HydrophobicContact CD1-CZ3 4.13Å; F127-W299 HydrophobicContact CE1-CZ3 4.04Å; V153-W299 HydrophobicContact CG2-CE3 4.09Å; V153-W299 HydrophobicContact CG2-CZ3 4.26Å; P240-W299 HydrophobicContact CB-CH2 4.09Å; P240-W299 HydrophobicContact CB-CZ2 4.06Å; F241-W299 VanDerWaalsContact C-CZ2 3.42Å; L242-W299 HydrophobicContact CB-CD2 3.77Å; L242-W299 HydrophobicContact CB-CE3 4.41Å; L242-W299 HydrophobicContact CB-CG 3.8Å; L242-W299 HydrophobicContact CB-CZ2 4.45Å; L242-W299 HydrophobicContact CD2-CB 3.85Å; L242-W299 HydrophobicContact CD2-CG 4.03Å; L242-W299 HydrophobicContact CG-CG 4.33Å; E295-W299 WeakPolarHBondContact O-CB 3.46Å; E295-W299 PolarHBondContact O-N 2.69Å; I296-W299 PolarHBondContact O-N 3.44Å; W299-R303 VanDerWaalsContact CD1-NH1 3.29Å; W299-R303 VanDerWaalsContact CZ2-CD 3.44Å; W299-R303 VanDerWaalsContact NE1-NH2 3.19Å; W299-R303 PolarHBondContact O-NH1 3.16Å
300	V	98.4	Very high	85.3	Confident	0 Å²	0	55 Å²	55	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-69.1	-46.8	177.3	173.5	0	0	0	0	110.4	L75 L78 L80 V153 I296 Q302 R303 T304	L75-V300 HydrophobicContact CD2-CB 4.47Å; L75-V300 HydrophobicContact CD2-CG1 4.29Å; L75-V300 HydrophobicContact CD2-CG2 4.16Å; L78-V300 HydrophobicContact CD1-CG1 4.43Å; L80-V300 HydrophobicContact CD1-CG1 4.1Å; L80-V300 HydrophobicContact CD2-CG1 3.61Å; V153-V300 HydrophobicContact CG2-CG2 4.08Å; I296-V300 HydrophobicContact CG2-CG2 4.17Å; I296-V300 WeakPolarHBondContact O-CB 3.33Å; I296-V300 VanDerWaalsContact O-CG2 3.28Å; I296-V300 WeakPolarHBondContact O-CG2 3.3Å; I296-V300 PolarHBondContact O-N 3.28Å; V300-Q302 VanDerWaalsContact C-N 3.31Å; V300-Q302 PolarHBondContact O-N 3.47Å; V300-R303 PolarHBondContact O-N 2.95Å; V300-T304 HydrophobicContact CG1-CG2 4.09Å; V300-T304 PolarHBondContact O-N 3.21Å; V300-T304 PolarHBondContact O-OG1 3.12Å
301	S	97.8	Very high	81.9	Confident	35 Å²	35	54.6 Å²	54.6	25%	0.245	34%	0.34	C	S	.	.	H	α-helix	trans	-57	-42.1	-179.8	-64.5	0	0	0	0	112.8	L78 N297 M298 R303 T304 A305	L78-S301 WeakPolarHBondContact CD1-OG 3.4Å; L78-S301 WeakPolarHBondContact CD2-OG 3.41Å; N297-S301 WeakPolarHBondContact O-CB 3.36Å; N297-S301 PolarHBondContact O-N 3.26Å; N297-S301 PolarHBondContact O-OG 3.32Å; N297-S301 PolarHBondContact OD1-OG 3.33Å; M298-S301 PolarHBondContact O-N 2.9Å; S301-R303 PolarHBondContact O-N 3.27Å; S301-T304 PolarHBondContact O-OG1 3.49Å; S301-A305 WeakPolarHBondContact O-CB 3.49Å; S301-A305 PolarHBondContact O-N 3.27Å; S301-A305 VanDerWaalsContact O-N 3.12Å
302	Q	97.7	Very high	78.9	Confident	109 Å²	109	58.7 Å²	58.7	51%	0.509	37%	0.366	S	S	.	.	H	α-helix	trans	-63.7	-30.5	178.4	-72.5	167.9	5.4	0	0	113	M298 V300 T306	M298-Q302 VanDerWaalsContact O-CG 3.23Å; M298-Q302 WeakPolarHBondContact O-CG 3.28Å; M298-Q302 PolarHBondContact O-N 2.89Å; M298-Q302 VanDerWaalsContact O-N 3.08Å; V300-Q302 VanDerWaalsContact C-N 3.31Å; V300-Q302 PolarHBondContact O-N 3.47Å; Q302-T306 PolarHBondContact O-OG1 3.02Å
303	R	97.4	Very high	76.1	Confident	44 Å²	44	68.3 Å²	68.3	17%	0.166	43%	0.428	C	S	.	.	H	α-helix	trans	-95.3	-16.9	-175.8	-73.6	167.9	-175.4	71.2	1.5	113.8	F127 D268 W299 V300 S301 T306	F127-R303 HydrophobicContact CE1-CB 4.05Å; F127-R303 HydrophobicContact CZ-CB 3.97Å; D268-R303 IonicContact OD1-CZ 3.53Å; D268-R303 IonicContact OD1-NH2 2.65Å; D268-R303 PolarHBondContact OD1-NH2 2.9Å; D268-R303 IonicContact OD2-CZ 3.65Å; D268-R303 IonicContact OD2-NE 2.73Å; D268-R303 PolarHBondContact OD2-NE 3.13Å; D268-R303 IonicContact OD2-NH2 3.6Å; D268-R303 PolarHBondContact OD2-NH2 3.08Å; W299-R303 VanDerWaalsContact CD1-NH1 3.29Å; W299-R303 VanDerWaalsContact CZ2-CD 3.44Å; W299-R303 VanDerWaalsContact NE1-NH2 3.19Å; W299-R303 PolarHBondContact O-NH1 3.16Å; V300-R303 PolarHBondContact O-N 2.95Å; S301-R303 PolarHBondContact O-N 3.27Å; R303-T306 PolarHBondContact O-OG1 2.7Å
304	T	93	Very high	75	Confident	13 Å²	13	69.7 Å²	69.7	8%	0.08	44%	0.441	C	S	.	.	H	α-helix	trans	-87.1	-29.7	170.1	54	0	0	0	0	112.1	A53 L80 F127 V300 S301 T306 A307	A53-T304 HydrophobicContact CB-CG2 3.88Å; L80-T304 HydrophobicContact CD1-CG2 4.14Å; L80-T304 HydrophobicContact CD2-CG2 4.4Å; L80-T304 HydrophobicContact CG-CG2 4.47Å; F127-T304 HydrophobicContact CE2-CG2 3.74Å; F127-T304 HydrophobicContact CZ-CG2 4.05Å; V300-T304 HydrophobicContact CG1-CG2 4.09Å; V300-T304 PolarHBondContact O-N 3.21Å; V300-T304 PolarHBondContact O-OG1 3.12Å; S301-T304 PolarHBondContact O-OG1 3.49Å; T304-T306 VanDerWaalsContact C-N 3.33Å; T304-T306 PolarHBondContact O-N 3.12Å; T304-A307 PolarHBondContact O-N 3.44Å
305	A	78.6	Confident	73.7	Confident	70 Å²	70	67.5 Å²	67.5	58%	0.579	44%	0.437	S	S	*	.	H	α-helix	trans	-65	-34.1	174.8	0	0	0	0	0	113.3	S301	S301-A305 WeakPolarHBondContact O-CB 3.49Å; S301-A305 PolarHBondContact O-N 3.27Å; S301-A305 VanDerWaalsContact O-N 3.12Å
306	T	59.7	Low	72.3	Confident	90 Å²	90	68.4 Å²	68.4	55%	0.552	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-26	-179.5	25.8	0	0	0	0	113.4	Q302 R303 T304 G308 T309	Q302-T306 PolarHBondContact O-OG1 3.02Å; R303-T306 PolarHBondContact O-OG1 2.7Å; T304-T306 VanDerWaalsContact C-N 3.33Å; T304-T306 PolarHBondContact O-N 3.12Å; T306-G308 VanDerWaalsContact C-N 3.25Å; T306-G308 PolarHBondContact O-N 3.22Å; T306-T309 PolarHBondContact O-N 3.29Å; T306-T309 PolarHBondContact O-OG1 3.22Å; T306-T309 VanDerWaalsContact O-OG1 3.09Å
307	A	54.4	Low	70.8	Confident	45 Å²	45	72.4 Å²	72.4	37%	0.372	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-69.2	-23.8	176.2	0	0	0	0	0	112.9	P125 T304 T309	P125-A307 HydrophobicContact CG-CB 3.92Å; T304-A307 PolarHBondContact O-N 3.44Å; A307-T309 VanDerWaalsContact C-N 3.33Å; A307-T309 PolarHBondContact O-N 2.93Å
308	G	47.7	Very low	69	Low	68 Å²	68	74 Å²	74	70%	0.701	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-77.2	-9.7	179.2	0	0	0	0	0	115.4	T306	T306-G308 VanDerWaalsContact C-N 3.25Å; T306-G308 PolarHBondContact O-N 3.22Å
309	T	40.5	Very low	67	Low	116 Å²	116	73.7 Å²	73.7	71%	0.712	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-103.9	-8.3	-178.1	57	0	0	0	0	114	T306 A307 S311	T306-T309 PolarHBondContact O-N 3.29Å; T306-T309 PolarHBondContact O-OG1 3.22Å; T306-T309 VanDerWaalsContact O-OG1 3.09Å; A307-T309 VanDerWaalsContact C-N 3.33Å; A307-T309 PolarHBondContact O-N 2.93Å; T309-S311 PolarHBondContact O-N 3.11Å
310	A	38.2	Very low	64.8	Low	82 Å²	82	78.1 Å²	78.1	68%	0.678	53%	0.528	S	S	*	.			trans	-88.7	76.4	173.1	0	0	0	0	0	110.3
311	S	27.9	Very low	62.2	Low	104 Å²	104	84.2 Å²	84.2	73%	0.727	57%	0.568	S	S	*	*			trans	-66.4	138.4	162.6	-62	0	0	0	0	109.3	T309	T309-S311 PolarHBondContact O-N 3.11Å
312	P	36	Very low	59.2	Low	117 Å²	117	88.3 Å²	88.3	76%	0.76	60%	0.595	S	S	*	*			trans	-69.8	152.8	174.6	26	-24.5	0	0	0	110.6
313	P	39.8	Very low	55.7	Low	201 Å²	201	86.4 Å²	86.4	100%	1.305	60%	0.603	S	S	*	*			trans	-64.9	0	174.4	28.7	-34.6	0	0	0	113.1

Retrieved 313 of 313 residues in 99.5 ms (Link to these results)

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