A0A096MZ27_PAPAN Loading...

Methionine adenosyltransferase 2 subunit beta

Regulatory subunit of S-adenosylmethionine synthetase 2, an enzyme that catalyzes the formation of S-adenosylmethionine from methionine and ATP. Regulates MAT2A catalytic activity by changing its kinetic properties, increasing its affinity for L-methionine. Can bind NADP (in vitro).

AlphaFold DB (A0A2R9CM31), UniProt , Accession A0A096MZ27, Species PAPAN (Papio anubis, Olive baboon), Gene MAT2B, Length 323 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	42.5	Very low	42.1	Very low	236 Å²	236	175.5 Å²	175.5	100%	1.163	89%	0.885	S	S	*	*				0	123.3	0	-68.1	179.2	179.2	0	0	105.7
2	P	40.8	Very low	42.4	Very low	129 Å²	129	176.5 Å²	176.5	84%	0.838	88%	0.884	S	S	*	*	P	Polyproline II helix	trans	-75.6	138.1	-176.6	19.4	-8.1	0	0	0	109.7
3	E	42.2	Very low	42.9	Very low	197 Å²	197	168.7 Å²	168.7	92%	0.921	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-61.8	135.1	173.9	-73.8	169.8	158.2	0	0	110.2
4	M	38.8	Very low	43.1	Very low	171 Å²	171	167.3 Å²	167.3	84%	0.842	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-77	143.5	171.6	-76.8	-165.5	55.1	0	0	109.9
5	P	48	Very low	44	Very low	118 Å²	118	159.5 Å²	159.5	77%	0.766	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-72	141.4	177.2	9.3	3.6	0	0	0	111
6	E	46.8	Very low	44.5	Very low	188 Å²	188	156.2 Å²	156.2	88%	0.879	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-54.9	140	176.2	-69	170.7	150.4	0	0	112.2	M8	E6-M8 PolarHBondContact O-N 3.34Å
7	D	42.3	Very low	46.4	Very low	160 Å²	160	153.9 Å²	153.9	86%	0.856	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-51.7	122.3	174.2	-77.7	-48.8	0	0	0	111	E9	D7-E9 PolarHBondContact O-N 3.27Å
8	M	37.3	Very low	49.1	Very low	183 Å²	183	149.3 Å²	149.3	90%	0.901	76%	0.761	S	S	*	*			trans	-72.5	96.1	165.9	-66.1	-147.4	-51.2	0	0	108.6	E6 Q10	E6-M8 PolarHBondContact O-N 3.34Å; M8-Q10 PolarHBondContact O-N 2.93Å; M8-Q10 VanDerWaalsContact O-N 3.17Å
9	E	41.5	Very low	51.6	Low	180 Å²	180	144.7 Å²	144.7	84%	0.841	73%	0.734	S	S	*	*			trans	-55	117.5	165.9	-73.5	-176.3	157.8	0	0	109	D7 E11	D7-E9 PolarHBondContact O-N 3.27Å; E9-E11 PolarHBondContact O-N 2.86Å; E9-E11 VanDerWaalsContact O-N 3.16Å
10	Q	42.7	Very low	54	Low	185 Å²	185	137.5 Å²	137.5	86%	0.864	70%	0.697	S	S	*	*			trans	-66.7	111.3	169.1	-71.7	177.1	-1.4	0	0	107.5	M8 E12	M8-Q10 PolarHBondContact O-N 2.93Å; M8-Q10 VanDerWaalsContact O-N 3.17Å; Q10-E12 PolarHBondContact O-N 2.92Å
11	E	40.1	Very low	56.1	Low	184 Å²	184	131 Å²	131	86%	0.86	66%	0.664	S	S	*	*			trans	-59.6	99.8	172.5	-75.7	-174.4	158.6	0	0	109.7	E9 V13	E9-E11 PolarHBondContact O-N 2.86Å; E9-E11 VanDerWaalsContact O-N 3.16Å; E11-V13 PolarHBondContact O-N 3.34Å
12	E	46	Very low	58.8	Low	187 Å²	187	119.8 Å²	119.8	87%	0.874	61%	0.609	S	S	*	*			trans	-65.9	100	164.7	-88.2	-169.1	156.8	0	0	108.3	Q10 N14	Q10-E12 PolarHBondContact O-N 2.92Å; E12-N14 PolarHBondContact O-N 3.48Å
13	V	48.7	Very low	61.5	Low	75 Å²	75	113.7 Å²	113.7	46%	0.455	57%	0.569	S	S	.	*			trans	-63.8	98.5	171.3	-172.3	0	0	0	0	108.5	E11 I15 R18 L229	E11-V13 PolarHBondContact O-N 3.34Å; V13-I15 VanDerWaalsContact C-N 3.34Å; V13-I15 HydrophobicContact CB-CG1 4.47Å; V13-I15 HydrophobicContact CG1-CD1 4.2Å; V13-I15 HydrophobicContact CG1-CG1 3.66Å; V13-I15 PolarHBondContact O-N 3.14Å; V13-R18 PolarHBondContact O-NH2 2.91Å; V13-L229 HydrophobicContact CG2-CD2 4.24Å
14	N	46.3	Very low	64.2	Low	149 Å²	149	104.8 Å²	104.8	80%	0.797	53%	0.531	S	S	*	.			trans	-73.7	86.4	173.6	-169.2	0.7	0	0	0	109.3	E12 P16	E12-N14 PolarHBondContact O-N 3.48Å; N14-P16 WeakPolarHBondContact O-CD 3.21Å
15	I	55.8	Low	67	Low	50 Å²	50	96.7 Å²	96.7	26%	0.256	49%	0.491	S	S	.	.			trans	-84.1	107.4	173.9	-53.7	177.6	0	0	0	107	V13 N17 R18 M228	V13-I15 VanDerWaalsContact C-N 3.34Å; V13-I15 HydrophobicContact CB-CG1 4.47Å; V13-I15 HydrophobicContact CG1-CD1 4.2Å; V13-I15 HydrophobicContact CG1-CG1 3.66Å; V13-I15 PolarHBondContact O-N 3.14Å; I15-N17 PolarHBondContact O-N 3.12Å; I15-R18 HydrophobicContact CB-CG 4.2Å; I15-R18 HydrophobicContact CG2-CG 4.43Å; I15-M228 HydrophobicContact CD1-CE 3.39Å; I15-M228 HydrophobicContact CD1-SD 4.08Å; I15-M228 HydrophobicContact CG2-CE 4.39Å
16	P	52.8	Low	69.2	Low	107 Å²	107	92 Å²	92	70%	0.695	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	104.4	-175.6	15.3	-6.5	0	0	0	108.6	N14	N14-P16 WeakPolarHBondContact O-CD 3.21Å
17	N	76.4	Confident	71.6	Confident	118 Å²	118	84.2 Å²	84.2	63%	0.631	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	75.7	178.3	-58.8	-23.3	0	0	0	116.5	I15 R19 H77	I15-N17 PolarHBondContact O-N 3.12Å; N17-R19 PolarHBondContact O-N 3Å; N17-H77 PolarHBondContact O-CE1 3.23Å; N17-H77 VanDerWaalsContact O-CE1 3.23Å
18	R	94.4	Very high	74.2	Confident	70 Å²	70	77.5 Å²	77.5	26%	0.264	39%	0.394	S	S	.	.			trans	-59.5	119.4	165.4	-55.8	-176.6	-177	165.7	0.9	109.9	V13 I15 W42 H43 E225 M228	V13-R18 PolarHBondContact O-NH2 2.91Å; I15-R18 HydrophobicContact CB-CG 4.2Å; I15-R18 HydrophobicContact CG2-CG 4.43Å; R18-W42 HydrophobicContact CB-CD2 3.42Å; R18-W42 VanDerWaalsContact CB-CD2 3.42Å; R18-W42 HydrophobicContact CB-CE3 3.42Å; R18-W42 VanDerWaalsContact CB-CE3 3.42Å; R18-W42 HydrophobicContact CB-CG 3.99Å; R18-W42 HydrophobicContact CB-CH2 4.05Å; R18-W42 HydrophobicContact CB-CZ2 4.08Å; R18-W42 HydrophobicContact CB-CZ3 3.75Å; R18-W42 HydrophobicContact CG-CD2 4.43Å; R18-W42 HydrophobicContact CG-CZ2 4.41Å; R18-W42 CarbonylContact O-C 3.41Å; R18-W42 WeakPolarHBondContact O-CA 3.33Å; R18-H43 PolarHBondContact O-N 2.95Å; R18-E225 IonicContact NH1-OE1 3.55Å; R18-M228 HydrophobicContact CG-CE 4.18Å; R18-M228 HydrophobicContact CG-SD 4.39Å
19	R	97.9	Very high	77.1	Confident	63 Å²	63	69.4 Å²	69.4	24%	0.238	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	131.6	-177.4	-68.7	-170.4	-61.6	-79.4	-1.3	111.1	N17 H43 F74 Q75 H77 V78	N17-R19 PolarHBondContact O-N 3Å; R19-H43 WeakPolarHBondContact CA-O 3.35Å; R19-H43 HydrophobicContact CG-CB 4.21Å; R19-F74 HydrophobicContact CB-CE1 3.88Å; R19-F74 HydrophobicContact CB-CZ 3.76Å; R19-F74 WeakPolarHBondContact CD-O 3.27Å; R19-F74 HydrophobicContact CG-CE2 4.41Å; R19-F74 HydrophobicContact CG-CZ 4.08Å; R19-F74 PolarHBondContact NE-O 2.74Å; R19-Q75 PolarHBondContact NE-O 3.1Å; R19-Q75 PolarHBondContact NH2-O 3.33Å; R19-H77 PolarHBondContact N-ND1 3.36Å; R19-H77 VanDerWaalsContact N-ND1 3.16Å; R19-H77 PolarHBondContact NH2-NE2 2.81Å; R19-H77 PolarHBondContact O-N 3Å; R19-V78 PolarHBondContact O-N 3.23Å
20	V	98.7	Very high	79.8	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	133.7	174.5	64.3	0	0	0	0	111.2	V22 F37 W42 H43 A44 V45 F74 V78 V80	V20-V22 HydrophobicContact CG2-CG2 4.18Å; V20-F37 HydrophobicContact CB-CD1 4.01Å; V20-F37 HydrophobicContact CB-CE1 4.25Å; V20-F37 HydrophobicContact CB-CG 4.3Å; V20-F37 HydrophobicContact CG1-CB 3.6Å; V20-F37 HydrophobicContact CG1-CD1 3.72Å; V20-F37 HydrophobicContact CG1-CD2 4.35Å; V20-F37 HydrophobicContact CG1-CE1 4.43Å; V20-F37 HydrophobicContact CG1-CG 3.65Å; V20-F37 HydrophobicContact CG2-CD1 4.18Å; V20-F37 HydrophobicContact CG2-CD2 4.28Å; V20-F37 HydrophobicContact CG2-CE1 4.12Å; V20-F37 HydrophobicContact CG2-CE2 4.24Å; V20-F37 HydrophobicContact CG2-CG 4.26Å; V20-F37 HydrophobicContact CG2-CZ 4.14Å; V20-W42 HydrophobicContact CB-CE3 3.84Å; V20-W42 HydrophobicContact CB-CZ3 4.29Å; V20-W42 HydrophobicContact CG1-CB 4.23Å; V20-W42 HydrophobicContact CG1-CE3 4.25Å; V20-H43 PolarHBondContact N-O 2.87Å; V20-A44 HydrophobicContact CG1-CB 3.59Å; V20-A44 WeakPolarHBondContact O-CA 3.35Å; V20-V45 PolarHBondContact O-N 2.85Å; V20-F74 WeakPolarHBondContact O-CE1 3.48Å; V20-V78 CarbonylContact C-O 3.45Å; V20-V78 VanDerWaalsContact CA-O 3.27Å; V20-V78 WeakPolarHBondContact CA-O 3.5Å; V20-V78 HydrophobicContact CB-CB 4.5Å; V20-V78 HydrophobicContact CG2-CB 4.18Å; V20-V78 HydrophobicContact CG2-CG1 4.18Å; V20-V80 HydrophobicContact CG2-CG2 4.11Å
21	L	98.8	Very high	82.4	Confident	1 Å²	1	54 Å²	54	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	124.9	168.9	177.4	63.8	0	0	0	109.3	V45 I70 I71 F74 P76 V78 I79 V80	L21-V45 CarbonylContact C-O 3.54Å; L21-V45 WeakPolarHBondContact CA-O 3.41Å; L21-V45 HydrophobicContact CD1-CB 4.3Å; L21-V45 HydrophobicContact CD1-CG1 3.91Å; L21-I70 HydrophobicContact CD1-CD1 3.89Å; L21-I70 HydrophobicContact CD1-CG1 4.21Å; L21-I70 HydrophobicContact CD2-CG2 4.41Å; L21-I71 HydrophobicContact CD2-CG1 3.8Å; L21-F74 HydrophobicContact CB-CD1 4.2Å; L21-F74 HydrophobicContact CB-CE1 4.26Å; L21-P76 HydrophobicContact CB-CB 4Å; L21-P76 HydrophobicContact CB-CG 4.25Å; L21-V78 PolarHBondContact N-O 3.16Å; L21-I79 HydrophobicContact CB-CG1 4.26Å; L21-I79 HydrophobicContact CD2-CD1 4.4Å; L21-I79 CarbonylContact O-C 3.55Å; L21-I79 VanDerWaalsContact O-CA 3.28Å; L21-I79 WeakPolarHBondContact O-CA 3.44Å; L21-V80 PolarHBondContact O-N 2.93Å
22	V	98.8	Very high	85.2	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	113	177.1	-175.7	0	0	0	0	109.2	V20 A25 V33 H34 V45 G46 C47 V80	V20-V22 HydrophobicContact CG2-CG2 4.18Å; V22-A25 HydrophobicContact CB-CB 4.48Å; V22-A25 HydrophobicContact CG1-CB 4.3Å; V22-V33 HydrophobicContact CG1-CB 4.25Å; V22-V33 HydrophobicContact CG1-CG1 4.14Å; V22-V33 HydrophobicContact CG2-CG1 3.86Å; V22-H34 HydrophobicContact CB-CB 4.5Å; V22-H34 HydrophobicContact CG2-CB 4.33Å; V22-V45 PolarHBondContact N-O 3.13Å; V22-G46 CarbonylContact O-C 3.51Å; V22-G46 WeakPolarHBondContact O-CA 3.4Å; V22-C47 PolarHBondContact O-N 3.11Å; V22-V80 WeakPolarHBondContact CA-O 3.31Å
23	T	98.4	Very high	87.7	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	143.7	174.3	69.5	0	0	0	0	110.4	A25 L61 I79 V80 H81 C82 A83 L109	T23-A25 VanDerWaalsContact C-N 3.32Å; T23-L61 HydrophobicContact CG2-CD2 4.15Å; T23-I79 HydrophobicContact CG2-CG2 4.49Å; T23-V80 PolarHBondContact N-O 3.28Å; T23-H81 WeakPolarHBondContact OG1-CA 3.34Å; T23-H81 PolarHBondContact OG1-ND1 3.28Å; T23-C82 WeakPolarHBondContact O-CA 3.27Å; T23-C82 VanDerWaalsContact O-CB 3.31Å; T23-C82 WeakPolarHBondContact O-CB 3.38Å; T23-C82 PolarHBondContact O-N 2.84Å; T23-A83 PolarHBondContact O-N 2.79Å; T23-L109 HydrophobicContact CG2-CD1 4.13Å; T23-L109 HydrophobicContact CG2-CD2 4.14Å
24	G	97.1	Very high	90.1	Very high	11 Å²	11	34.7 Å²	34.7	11%	0.113	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	75	24.9	-170.8	0	0	0	0	0	112.6	T26 G27 C47	G24-T26 PolarHBondContact O-N 3.41Å; G24-T26 VanDerWaalsContact O-N 3.07Å; G24-G27 PolarHBondContact O-N 3.24Å; G24-C47 PolarHBondContact N-O 3.37Å
25	A	97.6	Very high	92.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-18.1	-177	0	0	0	0	0	113.8	V22 T23 G27 R31 C47 F56	V22-A25 HydrophobicContact CB-CB 4.48Å; V22-A25 HydrophobicContact CG1-CB 4.3Å; T23-A25 VanDerWaalsContact C-N 3.32Å; A25-G27 VanDerWaalsContact C-N 3.31Å; A25-R31 WeakPolarHBondContact O-CG 3.09Å; A25-R31 PolarHBondContact O-N 3.17Å; A25-C47 PolarHBondContact N-O 3.33Å; A25-F56 HydrophobicContact CB-CD1 3.74Å; A25-F56 HydrophobicContact CB-CD2 4.2Å; A25-F56 HydrophobicContact CB-CE1 3.75Å; A25-F56 HydrophobicContact CB-CE2 4.2Å; A25-F56 HydrophobicContact CB-CG 3.96Å; A25-F56 HydrophobicContact CB-CZ 3.97Å; A25-F56 VanDerWaalsContact O-CE2 3.23Å; A25-F56 WeakPolarHBondContact O-CE2 3.47Å; A25-F56 WeakPolarHBondContact O-CZ 3.31Å
26	T	95.6	Very high	94.6	Very high	21 Å²	21	30.3 Å²	30.3	13%	0.129	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-13.3	174.5	57.3	0	0	0	0	113.7	G24 R31 R50 A52 F56	G24-T26 PolarHBondContact O-N 3.41Å; G24-T26 VanDerWaalsContact O-N 3.07Å; T26-R31 PolarHBondContact O-NH1 3.32Å; T26-R50 WeakPolarHBondContact CG2-O 3.41Å; T26-R50 PolarHBondContact OG1-O 3.45Å; T26-A52 HydrophobicContact CG2-CB 4.15Å; T26-F56 HydrophobicContact CG2-CD2 3.78Å; T26-F56 HydrophobicContact CG2-CE2 4.43Å
27	G	95.8	Very high	96.7	Very high	24 Å²	24	25.2 Å²	25.2	25%	0.247	13%	0.128	C	C	.	.	S	Bend	trans	-87	171	-178.9	0	0	0	0	0	113.2	G24 A25 L29 G30 R31	G24-G27 PolarHBondContact O-N 3.24Å; A25-G27 VanDerWaalsContact C-N 3.31Å; G27-L29 PolarHBondContact O-N 3.5Å; G27-G30 PolarHBondContact O-N 3.03Å; G27-R31 WeakPolarHBondContact O-CG 3.21Å; G27-R31 PolarHBondContact O-N 2.94Å
28	L	96.8	Very high	97.7	Very high	19 Å²	19	25.4 Å²	25.4	10%	0.099	12%	0.124	C	C	.	.	H	α-helix	trans	-52.3	-56.8	-177.6	174.1	58	0	0	0	113	L174 E177 V178 V213	L28-L174 HydrophobicContact CD2-CB 4.39Å; L28-E177 VanDerWaalsContact CD1-O 3.25Å; L28-E177 WeakPolarHBondContact CD1-O 3.32Å; L28-V178 HydrophobicContact CD1-CG1 3.82Å; L28-V213 HydrophobicContact CD1-CG1 4.11Å; L28-V213 HydrophobicContact CD1-CG2 4.3Å; L28-V213 HydrophobicContact CD2-CG1 4.14Å; L28-V213 HydrophobicContact CG-CG1 3.71Å
29	L	98.4	Very high	97.8	Very high	13 Å²	13	28.1 Å²	28.1	7%	0.068	14%	0.14	C	C	.	.	H	α-helix	trans	-69.6	-44.8	179.1	-179.9	60.7	0	0	0	111.8	G27 R31 A32 V33 C82 I123 I171 L174 V213 V216	G27-L29 PolarHBondContact O-N 3.5Å; L29-R31 VanDerWaalsContact C-N 3.29Å; L29-R31 PolarHBondContact O-N 3.32Å; L29-A32 WeakPolarHBondContact O-CB 3.42Å; L29-A32 PolarHBondContact O-N 3.24Å; L29-V33 HydrophobicContact CD1-CG2 3.87Å; L29-V33 HydrophobicContact CG-CG2 3.93Å; L29-V33 WeakPolarHBondContact O-CG2 3.44Å; L29-V33 PolarHBondContact O-N 3.18Å; L29-C82 HydrophobicContact CD2-CB 4.48Å; L29-I123 HydrophobicContact CD2-CB 4.39Å; L29-I123 HydrophobicContact CD2-CD1 4.16Å; L29-I123 HydrophobicContact CD2-CG1 3.87Å; L29-I123 HydrophobicContact CD2-CG2 3.78Å; L29-I171 HydrophobicContact CD2-CD1 3.93Å; L29-L174 HydrophobicContact CB-CD1 3.87Å; L29-L174 HydrophobicContact CD1-CD1 4.28Å; L29-L174 HydrophobicContact CD2-CD1 4.06Å; L29-L174 HydrophobicContact CG-CD1 4.29Å; L29-V213 HydrophobicContact CD1-CB 4.2Å; L29-V213 HydrophobicContact CD1-CG1 4.37Å; L29-V216 HydrophobicContact CD1-CB 3.76Å; L29-V216 HydrophobicContact CD1-CG1 3.67Å; L29-V216 HydrophobicContact CD2-CG1 4.12Å
30	G	98.2	Very high	97.8	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.01	14%	0.142	C	C	.	.	H	α-helix	trans	-58.2	-38.4	-176.5	0	0	0	0	0	113.4	G27 V33 H34	G27-G30 PolarHBondContact O-N 3.03Å; G30-V33 PolarHBondContact O-N 2.92Å; G30-H34 VanDerWaalsContact O-CB 3.31Å; G30-H34 WeakPolarHBondContact O-CB 3.41Å; G30-H34 PolarHBondContact O-N 3.25Å
31	R	97.9	Very high	97.6	Very high	41 Å²	41	35 Å²	35	16%	0.155	18%	0.182	C	C	.	.	H	α-helix	trans	-63.7	-41.5	173.9	-70.7	-174.6	-51.9	-107.4	2.6	112.1	A25 T26 G27 L29 K35 F56 E177 E179 E183	A25-R31 WeakPolarHBondContact O-CG 3.09Å; A25-R31 PolarHBondContact O-N 3.17Å; T26-R31 PolarHBondContact O-NH1 3.32Å; G27-R31 WeakPolarHBondContact O-CG 3.21Å; G27-R31 PolarHBondContact O-N 2.94Å; L29-R31 VanDerWaalsContact C-N 3.29Å; L29-R31 PolarHBondContact O-N 3.32Å; R31-K35 VanDerWaalsContact O-CB 3.28Å; R31-K35 WeakPolarHBondContact O-CB 3.44Å; R31-K35 PolarHBondContact O-N 3.14Å; R31-F56 HydrophobicContact CG-CE2 4.42Å; R31-F56 HydrophobicContact CG-CZ 4.49Å; R31-E177 PolarHBondContact NH2-O 3.43Å; R31-E179 IonicContact NH1-OE2 3.93Å; R31-E183 IonicContact CZ-OE2 2.87Å; R31-E183 IonicContact NH1-OE1 3.85Å; R31-E183 PolarHBondContact NH1-OE1 3.25Å; R31-E183 VanDerWaalsContact NH1-OE1 3.15Å; R31-E183 IonicContact NH1-OE2 3.18Å; R31-E183 PolarHBondContact NH1-OE2 2.9Å; R31-E183 IonicContact NH2-OE1 3Å; R31-E183 IonicContact NH2-OE2 3.95Å; R31-E183 PolarHBondContact NH2-OE2 2.78Å
32	A	98.5	Very high	97.5	Very high	15 Å²	15	35.5 Å²	35.5	12%	0.124	18%	0.184	C	C	.	.	H	α-helix	trans	-67.5	-43.6	178.5	0	0	0	0	0	111.7	L29 K35 E36 V213 A217	L29-A32 WeakPolarHBondContact O-CB 3.42Å; L29-A32 PolarHBondContact O-N 3.24Å; A32-K35 PolarHBondContact O-N 3.03Å; A32-E36 WeakPolarHBondContact O-CB 3.35Å; A32-E36 PolarHBondContact O-N 2.9Å; A32-V213 HydrophobicContact CB-CB 3.79Å; A32-V213 HydrophobicContact CB-CG2 3.6Å; A32-A217 HydrophobicContact CB-CB 4.23Å
33	V	98.8	Very high	97.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61.2	-51.1	175.8	176.5	0	0	0	0	110.6	V22 L29 G30 K35 E36 F37 V80 A217	V22-V33 HydrophobicContact CG1-CB 4.25Å; V22-V33 HydrophobicContact CG1-CG1 4.14Å; V22-V33 HydrophobicContact CG2-CG1 3.86Å; L29-V33 HydrophobicContact CD1-CG2 3.87Å; L29-V33 HydrophobicContact CG-CG2 3.93Å; L29-V33 WeakPolarHBondContact O-CG2 3.44Å; L29-V33 PolarHBondContact O-N 3.18Å; G30-V33 PolarHBondContact O-N 2.92Å; V33-K35 VanDerWaalsContact C-N 3.32Å; V33-K35 PolarHBondContact O-N 3.21Å; V33-E36 PolarHBondContact O-N 3.49Å; V33-F37 HydrophobicContact CG1-CD2 3.73Å; V33-F37 HydrophobicContact CG1-CE2 3.76Å; V33-F37 WeakPolarHBondContact O-CD2 3.47Å; V33-F37 PolarHBondContact O-N 2.91Å; V33-F37 VanDerWaalsContact O-N 3.07Å; V33-V80 HydrophobicContact CG1-CB 3.94Å; V33-V80 HydrophobicContact CG1-CG1 3.92Å; V33-V80 HydrophobicContact CG1-CG2 3.99Å; V33-V80 HydrophobicContact CG2-CG1 4.47Å; V33-A217 HydrophobicContact CG2-CB 4.1Å
34	H	98.6	Very high	97.4	Very high	24 Å²	24	41.1 Å²	41.1	11%	0.111	21%	0.212	C	C	.	.	H	α-helix	trans	-56.5	-46.4	179.1	177.7	-91.2	0	0	0	111.8	V22 G30 Q38 A44 F56	V22-H34 HydrophobicContact CB-CB 4.5Å; V22-H34 HydrophobicContact CG2-CB 4.33Å; G30-H34 VanDerWaalsContact O-CB 3.31Å; G30-H34 WeakPolarHBondContact O-CB 3.41Å; G30-H34 PolarHBondContact O-N 3.25Å; H34-Q38 PolarHBondContact CE1-OE1 3.49Å; H34-Q38 VanDerWaalsContact CE1-OE1 3.31Å; H34-Q38 WeakPolarHBondContact O-CB 3.5Å; H34-Q38 PolarHBondContact O-N 2.83Å; H34-A44 PolarHBondContact NE2-O 3.41Å; H34-F56 HydrophobicContact CB-CE1 4.39Å; H34-F56 AromaticContact CE1-CE1 4Å; H34-F56 AromaticContact CG-CE1 3.77Å; H34-F56 AromaticContact ND1-CE1 3.71Å
35	K	98.2	Very high	97.4	Very high	82 Å²	82	42 Å²	42	36%	0.357	22%	0.215	S	C	.	.	H	α-helix	trans	-61.9	-45.5	177	-178	175.1	176.1	177.6	0	112.5	R31 A32 V33 Q38 Q39 E177	R31-K35 VanDerWaalsContact O-CB 3.28Å; R31-K35 WeakPolarHBondContact O-CB 3.44Å; R31-K35 PolarHBondContact O-N 3.14Å; A32-K35 PolarHBondContact O-N 3.03Å; V33-K35 VanDerWaalsContact C-N 3.32Å; V33-K35 PolarHBondContact O-N 3.21Å; K35-Q38 PolarHBondContact O-N 2.93Å; K35-Q39 HydrophobicContact CG-CG 4.36Å; K35-Q39 WeakPolarHBondContact O-CB 3.5Å; K35-Q39 VanDerWaalsContact O-CG 3.26Å; K35-Q39 WeakPolarHBondContact O-CG 3.32Å; K35-Q39 PolarHBondContact O-N 2.72Å; K35-E177 IonicContact NZ-OE2 3.87Å; K35-E177 PolarHBondContact NZ-OE2 2.98Å
36	E	98.5	Very high	97.4	Very high	26 Å²	26	42.1 Å²	42.1	12%	0.121	22%	0.217	C	C	.	.	H	α-helix	trans	-59	-49.9	179.2	175.6	64.1	-165.7	0	0	111.3	A32 V33 Q38 Q39 N40 A217 R221	A32-E36 WeakPolarHBondContact O-CB 3.35Å; A32-E36 PolarHBondContact O-N 2.9Å; V33-E36 PolarHBondContact O-N 3.49Å; E36-Q38 PolarHBondContact O-N 2.96Å; E36-Q39 PolarHBondContact O-N 2.84Å; E36-N40 PolarHBondContact O-N 3.12Å; E36-N40 PolarHBondContact O-ND2 3.26Å; E36-N40 PolarHBondContact OE1-ND2 3.23Å; E36-N40 VanDerWaalsContact OE1-ND2 3.08Å; E36-A217 HydrophobicContact CB-CB 3.68Å; E36-A217 HydrophobicContact CG-CB 4.1Å; E36-R221 HydrophobicContact CG-CB 4.12Å; E36-R221 IonicContact OE1-CZ 3.13Å; E36-R221 IonicContact OE1-NE 3.17Å; E36-R221 PolarHBondContact OE1-NE 2.92Å; E36-R221 IonicContact OE1-NH2 2.69Å; E36-R221 PolarHBondContact OE1-NH2 2.81Å
37	F	98.3	Very high	97.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.4	-43.9	178.4	-84	-85.6	0	0	0	111.9	V20 V33 Q39 N40 W42 A44 V80 C220 R221 A224	V20-F37 HydrophobicContact CB-CD1 4.01Å; V20-F37 HydrophobicContact CB-CE1 4.25Å; V20-F37 HydrophobicContact CB-CG 4.3Å; V20-F37 HydrophobicContact CG1-CB 3.6Å; V20-F37 HydrophobicContact CG1-CD1 3.72Å; V20-F37 HydrophobicContact CG1-CD2 4.35Å; V20-F37 HydrophobicContact CG1-CE1 4.43Å; V20-F37 HydrophobicContact CG1-CG 3.65Å; V20-F37 HydrophobicContact CG2-CD1 4.18Å; V20-F37 HydrophobicContact CG2-CD2 4.28Å; V20-F37 HydrophobicContact CG2-CE1 4.12Å; V20-F37 HydrophobicContact CG2-CE2 4.24Å; V20-F37 HydrophobicContact CG2-CG 4.26Å; V20-F37 HydrophobicContact CG2-CZ 4.14Å; V33-F37 HydrophobicContact CG1-CD2 3.73Å; V33-F37 HydrophobicContact CG1-CE2 3.76Å; V33-F37 WeakPolarHBondContact O-CD2 3.47Å; V33-F37 PolarHBondContact O-N 2.91Å; V33-F37 VanDerWaalsContact O-N 3.07Å; F37-Q39 VanDerWaalsContact C-N 3.29Å; F37-Q39 PolarHBondContact O-N 3.29Å; F37-N40 CarbonylContact O-C 3.55Å; F37-N40 PolarHBondContact O-N 3.47Å; F37-N40 VanDerWaalsContact O-N 3.11Å; F37-W42 HydrophobicContact CB-CB 4.04Å; F37-W42 HydrophobicContact CB-CG 4.41Å; F37-W42 HydrophobicContact CD1-CB 3.99Å; F37-W42 AromaticContact CD1-CD1 3.78Å; F37-W42 AromaticContact CD1-CD2 3.47Å; F37-W42 HydrophobicContact CD1-CD2 3.47Å; F37-W42 VanDerWaalsContact CD1-CD2 3.47Å; F37-W42 AromaticContact CD1-CE2 3.79Å; F37-W42 AromaticContact CD1-CE3 3.87Å; F37-W42 HydrophobicContact CD1-CE3 3.87Å; F37-W42 AromaticContact CD1-CG 3.52Å; F37-W42 HydrophobicContact CD1-CG 3.52Å; F37-W42 HydrophobicContact CD1-CZ2 4.48Å; F37-W42 AromaticContact CD1-NE1 3.94Å; F37-W42 AromaticContact CE1-CD2 3.8Å; F37-W42 HydrophobicContact CE1-CD2 3.8Å; F37-W42 AromaticContact CE1-CE2 3.78Å; F37-W42 AromaticContact CE1-CE3 3.98Å; F37-W42 HydrophobicContact CE1-CE3 3.98Å; F37-W42 HydrophobicContact CE1-CG 4.31Å; F37-W42 HydrophobicContact CE1-CH2 4.23Å; F37-W42 HydrophobicContact CE1-CZ2 4.02Å; F37-W42 HydrophobicContact CE1-CZ3 4.2Å; F37-W42 HydrophobicContact CG-CG 4.45Å; F37-W42 WeakPolarHBondContact O-CB 3.42Å; F37-W42 PolarHBondContact O-N 2.95Å; F37-W42 VanDerWaalsContact O-N 3.15Å; F37-A44 HydrophobicContact CB-CB 4.18Å; F37-V80 HydrophobicContact CE2-CG2 3.87Å; F37-V80 HydrophobicContact CZ-CG2 4.16Å; F37-C220 HydrophobicContact CE2-CB 4.19Å; F37-R221 HydrophobicContact CD1-CB 4.46Å; F37-R221 HydrophobicContact CD1-CG 4.19Å; F37-R221 HydrophobicContact CE1-CB 4.12Å; F37-R221 HydrophobicContact CE1-CG 4.03Å; F37-R221 HydrophobicContact CE2-CB 4.16Å; F37-R221 VanDerWaalsContact CZ-CA 3.48Å; F37-R221 HydrophobicContact CZ-CB 3.96Å; F37-R221 HydrophobicContact CZ-CG 4.4Å; F37-A224 HydrophobicContact CE1-CB 4.09Å; F37-A224 HydrophobicContact CZ-CB 4Å
38	Q	96.6	Very high	97.4	Very high	121 Å²	121	40.3 Å²	40.3	57%	0.565	20%	0.202	S	C	*	.	H	α-helix	trans	-60	-38.1	177.5	-174.8	-179.9	-8.6	0	0	112.4	H34 K35 E36 N40 A44	H34-Q38 PolarHBondContact CE1-OE1 3.49Å; H34-Q38 VanDerWaalsContact CE1-OE1 3.31Å; H34-Q38 WeakPolarHBondContact O-CB 3.5Å; H34-Q38 PolarHBondContact O-N 2.83Å; K35-Q38 PolarHBondContact O-N 2.93Å; E36-Q38 PolarHBondContact O-N 2.96Å; Q38-N40 VanDerWaalsContact C-N 3.25Å; Q38-N40 PolarHBondContact O-N 2.95Å; Q38-A44 HydrophobicContact CB-CB 4.34Å
39	Q	97.1	Very high	97.2	Very high	128 Å²	128	44.6 Å²	44.6	60%	0.598	22%	0.22	S	C	*	.	H	α-helix	trans	-75.3	-12.1	179.3	-72.3	-179.7	-36.7	0	0	113.7	K35 E36 F37	K35-Q39 HydrophobicContact CG-CG 4.36Å; K35-Q39 WeakPolarHBondContact O-CB 3.5Å; K35-Q39 VanDerWaalsContact O-CG 3.26Å; K35-Q39 WeakPolarHBondContact O-CG 3.32Å; K35-Q39 PolarHBondContact O-N 2.72Å; E36-Q39 PolarHBondContact O-N 2.84Å; F37-Q39 VanDerWaalsContact C-N 3.29Å; F37-Q39 PolarHBondContact O-N 3.29Å
40	N	96.7	Very high	96.7	Very high	52 Å²	52	52.8 Å²	52.8	28%	0.278	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118	38.2	-176.7	-71.4	-88.2	0	0	0	112.1	E36 F37 Q38 W42 R221	E36-N40 PolarHBondContact O-N 3.12Å; E36-N40 PolarHBondContact O-ND2 3.26Å; E36-N40 PolarHBondContact OE1-ND2 3.23Å; E36-N40 VanDerWaalsContact OE1-ND2 3.08Å; F37-N40 CarbonylContact O-C 3.55Å; F37-N40 PolarHBondContact O-N 3.47Å; F37-N40 VanDerWaalsContact O-N 3.11Å; Q38-N40 VanDerWaalsContact C-N 3.25Å; Q38-N40 PolarHBondContact O-N 2.95Å; N40-W42 VanDerWaalsContact C-N 3.32Å; N40-W42 VanDerWaalsContact O-CD1 3.24Å; N40-W42 PolarHBondContact O-N 2.96Å; N40-R221 PolarHBondContact ND2-NE 3.42Å
41	N	94.3	Very high	96.2	Very high	156 Å²	156	59.6 Å²	59.6	83%	0.834	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	26.6	173	-55.2	-38	0	0	0	115.7
42	W	96.8	Very high	95.7	Very high	10 Å²	10	57.8 Å²	57.8	4%	0.038	27%	0.269	C	S	.	.			trans	-97	142	167.5	-69.3	70.5	0	0	0	111.3	R18 V20 F37 N40 A44 V78 A224 E225 M228	R18-W42 HydrophobicContact CB-CD2 3.42Å; R18-W42 VanDerWaalsContact CB-CD2 3.42Å; R18-W42 HydrophobicContact CB-CE3 3.42Å; R18-W42 VanDerWaalsContact CB-CE3 3.42Å; R18-W42 HydrophobicContact CB-CG 3.99Å; R18-W42 HydrophobicContact CB-CH2 4.05Å; R18-W42 HydrophobicContact CB-CZ2 4.08Å; R18-W42 HydrophobicContact CB-CZ3 3.75Å; R18-W42 HydrophobicContact CG-CD2 4.43Å; R18-W42 HydrophobicContact CG-CZ2 4.41Å; R18-W42 CarbonylContact O-C 3.41Å; R18-W42 WeakPolarHBondContact O-CA 3.33Å; V20-W42 HydrophobicContact CB-CE3 3.84Å; V20-W42 HydrophobicContact CB-CZ3 4.29Å; V20-W42 HydrophobicContact CG1-CB 4.23Å; V20-W42 HydrophobicContact CG1-CE3 4.25Å; F37-W42 HydrophobicContact CB-CB 4.04Å; F37-W42 HydrophobicContact CB-CG 4.41Å; F37-W42 HydrophobicContact CD1-CB 3.99Å; F37-W42 AromaticContact CD1-CD1 3.78Å; F37-W42 AromaticContact CD1-CD2 3.47Å; F37-W42 HydrophobicContact CD1-CD2 3.47Å; F37-W42 VanDerWaalsContact CD1-CD2 3.47Å; F37-W42 AromaticContact CD1-CE2 3.79Å; F37-W42 AromaticContact CD1-CE3 3.87Å; F37-W42 HydrophobicContact CD1-CE3 3.87Å; F37-W42 AromaticContact CD1-CG 3.52Å; F37-W42 HydrophobicContact CD1-CG 3.52Å; F37-W42 HydrophobicContact CD1-CZ2 4.48Å; F37-W42 AromaticContact CD1-NE1 3.94Å; F37-W42 AromaticContact CE1-CD2 3.8Å; F37-W42 HydrophobicContact CE1-CD2 3.8Å; F37-W42 AromaticContact CE1-CE2 3.78Å; F37-W42 AromaticContact CE1-CE3 3.98Å; F37-W42 HydrophobicContact CE1-CE3 3.98Å; F37-W42 HydrophobicContact CE1-CG 4.31Å; F37-W42 HydrophobicContact CE1-CH2 4.23Å; F37-W42 HydrophobicContact CE1-CZ2 4.02Å; F37-W42 HydrophobicContact CE1-CZ3 4.2Å; F37-W42 HydrophobicContact CG-CG 4.45Å; F37-W42 WeakPolarHBondContact O-CB 3.42Å; F37-W42 PolarHBondContact O-N 2.95Å; F37-W42 VanDerWaalsContact O-N 3.15Å; N40-W42 VanDerWaalsContact C-N 3.32Å; N40-W42 VanDerWaalsContact O-CD1 3.24Å; N40-W42 PolarHBondContact O-N 2.96Å; W42-A44 PolarHBondContact O-N 3.36Å; W42-A44 VanDerWaalsContact O-N 3.13Å; W42-V78 HydrophobicContact CH2-CB 4.42Å; W42-V78 HydrophobicContact CH2-CG2 3.63Å; W42-V78 HydrophobicContact CZ3-CB 4.04Å; W42-V78 HydrophobicContact CZ3-CG2 3.67Å; W42-A224 HydrophobicContact CH2-CB 4.14Å; W42-A224 HydrophobicContact CZ2-CB 4.28Å; W42-E225 HydrophobicContact CZ2-CG 4.05Å; W42-M228 HydrophobicContact CH2-CE 4.39Å; W42-M228 HydrophobicContact CH2-SD 3.58Å; W42-M228 VanDerWaalsContact CH2-SD 3.58Å; W42-M228 HydrophobicContact CZ2-SD 3.89Å
43	H	97.3	Very high	95.2	Very high	105 Å²	105	66.1 Å²	66.1	49%	0.486	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	100.1	163.6	-178.4	-161.2	0	0	0	108.5	R18 R19 V20 F74	R18-H43 PolarHBondContact O-N 2.95Å; R19-H43 WeakPolarHBondContact CA-O 3.35Å; R19-H43 HydrophobicContact CG-CB 4.21Å; V20-H43 PolarHBondContact N-O 2.87Å; H43-F74 AromaticContact CE1-CE2 3.59Å; H43-F74 AromaticContact ND1-CE2 3.67Å
44	A	97.6	Very high	94.5	Very high	15 Å²	15	72.3 Å²	72.3	12%	0.124	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	116.1	-175.4	0	0	0	0	0	112	V20 H34 F37 Q38 W42	V20-A44 HydrophobicContact CG1-CB 3.59Å; V20-A44 WeakPolarHBondContact O-CA 3.35Å; H34-A44 PolarHBondContact NE2-O 3.41Å; F37-A44 HydrophobicContact CB-CB 4.18Å; Q38-A44 HydrophobicContact CB-CB 4.34Å; W42-A44 PolarHBondContact O-N 3.36Å; W42-A44 VanDerWaalsContact O-N 3.13Å
45	V	97.8	Very high	94.1	Very high	29 Å²	29	79.2 Å²	79.2	18%	0.176	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	127.5	168	170.4	0	0	0	0	108.6	V20 L21 V22 E57 I70 F74	V20-V45 PolarHBondContact O-N 2.85Å; L21-V45 CarbonylContact C-O 3.54Å; L21-V45 WeakPolarHBondContact CA-O 3.41Å; L21-V45 HydrophobicContact CD1-CB 4.3Å; L21-V45 HydrophobicContact CD1-CG1 3.91Å; V22-V45 PolarHBondContact N-O 3.13Å; V45-E57 HydrophobicContact CG1-CG 4.1Å; V45-I70 HydrophobicContact CG1-CD1 4.48Å; V45-F74 HydrophobicContact CB-CD1 4.48Å; V45-F74 HydrophobicContact CB-CD2 4.39Å; V45-F74 HydrophobicContact CB-CE1 4.12Å; V45-F74 HydrophobicContact CB-CE2 4.01Å; V45-F74 HydrophobicContact CB-CZ 3.86Å; V45-F74 HydrophobicContact CG2-CD2 3.75Å; V45-F74 HydrophobicContact CG2-CE1 4.27Å; V45-F74 HydrophobicContact CG2-CE2 3.26Å; V45-F74 HydrophobicContact CG2-CG 4.42Å; V45-F74 HydrophobicContact CG2-CZ 3.56Å
46	G	97.6	Very high	94	Very high	3 Å²	3	76.5 Å²	76.5	3%	0.031	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	142.9	173.7	0	0	0	0	0	110.9	V22 F56 E57	V22-G46 CarbonylContact O-C 3.51Å; V22-G46 WeakPolarHBondContact O-CA 3.4Å; G46-F56 WeakPolarHBondContact O-CA 3.38Å; G46-F56 WeakPolarHBondContact O-CB 3.17Å; G46-E57 PolarHBondContact O-N 3.37Å
47	C	96.9	Very high	93.9	Very high	1 Å²	1	80.6 Å²	80.6	1%	0.007	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	154.8	172.5	76.4	0	0	0	0	113.1	V22 G24 A25 E57 V59 I70	V22-C47 PolarHBondContact O-N 3.11Å; G24-C47 PolarHBondContact N-O 3.37Å; A25-C47 PolarHBondContact N-O 3.33Å; C47-E57 CarbonylContact C-O 3.42Å; C47-E57 WeakPolarHBondContact CA-O 3.38Å; C47-E57 HydrophobicContact CB-CB 3.96Å; C47-E57 WeakPolarHBondContact CB-O 3.46Å; C47-V59 HydrophobicContact CB-CB 4.08Å; C47-V59 HydrophobicContact CB-CG2 3.94Å; C47-I70 HydrophobicContact CB-CD1 3.87Å
48	G	95.4	Very high	93.8	Very high	6 Å²	6	85.6 Å²	85.6	6%	0.062	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	160.3	174.4	0	0	0	0	0	112.1	A52 E57 Q58 V59	G48-A52 VanDerWaalsContact O-CB 3.3Å; G48-A52 WeakPolarHBondContact O-CB 3.3Å; G48-E57 PolarHBondContact N-O 3.36Å; G48-Q58 WeakPolarHBondContact O-CA 3.49Å; G48-V59 CarbonylContact C-O 3.56Å; G48-V59 PolarHBondContact O-N 3.26Å; G48-V59 VanDerWaalsContact O-N 3.1Å
49	F	91.7	Very high	93.8	Very high	108 Å²	108	80.4 Å²	80.4	47%	0.474	38%	0.375	S	S	.	.	S	Bend	trans	-80.9	-45.7	-178.3	-179	-134.7	0	0	0	112.5	Q58 V59 N60	F49-Q58 PolarHBondContact O-NE2 2.88Å; F49-V59 WeakPolarHBondContact CA-O 3.47Å; F49-V59 PolarHBondContact N-O 3.44Å; F49-N60 HydrophobicContact CD2-CB 3.73Å; F49-N60 HydrophobicContact CE2-CB 3.89Å
50	R	87.9	Confident	93.7	Very high	186 Å²	186	76.9 Å²	76.9	70%	0.702	36%	0.36	S	S	*	.	S	Bend	trans	-115.1	143.9	-177.4	-59.7	-178.1	-177	-179.3	1.8	110	T26 A52	T26-R50 WeakPolarHBondContact CG2-O 3.41Å; T26-R50 PolarHBondContact OG1-O 3.45Å; R50-A52 PolarHBondContact O-N 3.41Å
51	R	87.4	Confident	93.7	Very high	144 Å²	144	75.2 Å²	75.2	54%	0.543	35%	0.351	S	S	.	.	S	Bend	trans	61.4	19.5	-179.3	-52.6	-180	-70.6	164.4	-7.5	114.9	E179 E183	R51-E179 IonicContact NH1-OE2 2.98Å; R51-E179 PolarHBondContact NH1-OE2 3.13Å; R51-E183 IonicContact CZ-OE1 3.89Å; R51-E183 IonicContact NH1-OE1 3.77Å; R51-E183 PolarHBondContact NH1-OE1 2.91Å; R51-E183 IonicContact NH2-OE1 2.99Å
52	A	87.8	Confident	93.7	Very high	3 Å²	3	71.8 Å²	71.8	3%	0.025	33%	0.332	C	S	.	.			trans	-69.9	-49.1	-177.1	0	0	0	0	0	112.3	T26 G48 R50 K55 F56 Q58	T26-A52 HydrophobicContact CG2-CB 4.15Å; G48-A52 VanDerWaalsContact O-CB 3.3Å; G48-A52 WeakPolarHBondContact O-CB 3.3Å; R50-A52 PolarHBondContact O-N 3.41Å; A52-K55 PolarHBondContact O-N 3.5Å; A52-K55 VanDerWaalsContact O-N 3.12Å; A52-F56 CarbonylContact C-O 3.36Å; A52-F56 HydrophobicContact CB-CB 4.05Å; A52-F56 PolarHBondContact O-N 3.49Å; A52-Q58 HydrophobicContact CB-CB 4.19Å
53	R	87.4	Confident	93.7	Very high	189 Å²	189	74.7 Å²	74.7	71%	0.713	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	146.5	-177.8	-63.7	-170.9	-177.6	-138.1	-3.3	112.3
54	P	85.4	Confident	93.7	Very high	130 Å²	130	72.6 Å²	72.6	84%	0.844	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	cis	-88.4	-1.5	0.6	35.9	-36.3	0	0	0	114.3
55	K	89	Confident	93.6	Very high	169 Å²	169	77.1 Å²	77.1	74%	0.735	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-29.1	-167.3	-65.6	-177.1	179.9	177.8	0	114.5	A52	A52-K55 PolarHBondContact O-N 3.5Å; A52-K55 VanDerWaalsContact O-N 3.12Å
56	F	95.8	Very high	93.6	Very high	25 Å²	25	77 Å²	77	11%	0.11	37%	0.37	C	S	.	.	S	Bend	trans	-130.5	156	-171.5	-59.8	-56.6	0	0	0	111.4	A25 T26 R31 H34 G46 A52	A25-F56 HydrophobicContact CB-CD1 3.74Å; A25-F56 HydrophobicContact CB-CD2 4.2Å; A25-F56 HydrophobicContact CB-CE1 3.75Å; A25-F56 HydrophobicContact CB-CE2 4.2Å; A25-F56 HydrophobicContact CB-CG 3.96Å; A25-F56 HydrophobicContact CB-CZ 3.97Å; A25-F56 VanDerWaalsContact O-CE2 3.23Å; A25-F56 WeakPolarHBondContact O-CE2 3.47Å; A25-F56 WeakPolarHBondContact O-CZ 3.31Å; T26-F56 HydrophobicContact CG2-CD2 3.78Å; T26-F56 HydrophobicContact CG2-CE2 4.43Å; R31-F56 HydrophobicContact CG-CE2 4.42Å; R31-F56 HydrophobicContact CG-CZ 4.49Å; H34-F56 HydrophobicContact CB-CE1 4.39Å; H34-F56 AromaticContact CE1-CE1 4Å; H34-F56 AromaticContact CG-CE1 3.77Å; H34-F56 AromaticContact ND1-CE1 3.71Å; G46-F56 WeakPolarHBondContact O-CA 3.38Å; G46-F56 WeakPolarHBondContact O-CB 3.17Å; A52-F56 CarbonylContact C-O 3.36Å; A52-F56 HydrophobicContact CB-CB 4.05Å; A52-F56 PolarHBondContact O-N 3.49Å
57	E	96.1	Very high	93.6	Very high	112 Å²	112	77 Å²	77	52%	0.523	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	134.4	174.1	-66.6	-54.7	146.3	0	0	110.8	V45 G46 C47 G48 V59 I70	V45-E57 HydrophobicContact CG1-CG 4.1Å; G46-E57 PolarHBondContact O-N 3.37Å; C47-E57 CarbonylContact C-O 3.42Å; C47-E57 WeakPolarHBondContact CA-O 3.38Å; C47-E57 HydrophobicContact CB-CB 3.96Å; C47-E57 WeakPolarHBondContact CB-O 3.46Å; G48-E57 PolarHBondContact N-O 3.36Å; E57-V59 HydrophobicContact CB-CG2 4.31Å; E57-V59 PolarHBondContact O-N 3.48Å; E57-I70 HydrophobicContact CB-CD1 3.96Å; E57-I70 HydrophobicContact CG-CD1 4.24Å
58	Q	96.7	Very high	93.7	Very high	105 Å²	105	80.2 Å²	80.2	49%	0.491	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	102.4	178.3	-170.9	173.4	18.1	0	0	110	G48 F49 A52	G48-Q58 WeakPolarHBondContact O-CA 3.49Å; F49-Q58 PolarHBondContact O-NE2 2.88Å; A52-Q58 HydrophobicContact CB-CB 4.19Å
59	V	96.2	Very high	93.8	Very high	12 Å²	12	84.7 Å²	84.7	7%	0.073	40%	0.403	C	S	.	.			trans	-129	129.2	-178.2	178.9	0	0	0	0	109.9	C47 G48 F49 E57 L61 A66 I70	C47-V59 HydrophobicContact CB-CB 4.08Å; C47-V59 HydrophobicContact CB-CG2 3.94Å; G48-V59 CarbonylContact C-O 3.56Å; G48-V59 PolarHBondContact O-N 3.26Å; G48-V59 VanDerWaalsContact O-N 3.1Å; F49-V59 WeakPolarHBondContact CA-O 3.47Å; F49-V59 PolarHBondContact N-O 3.44Å; E57-V59 HydrophobicContact CB-CG2 4.31Å; E57-V59 PolarHBondContact O-N 3.48Å; V59-L61 HydrophobicContact CG1-CD2 4.31Å; V59-A66 HydrophobicContact CG1-CB 4.19Å; V59-I70 HydrophobicContact CG2-CB 4.49Å; V59-I70 HydrophobicContact CG2-CD1 3.7Å; V59-I70 HydrophobicContact CG2-CG2 4.47Å
60	N	95.9	Very high	94.1	Very high	54 Å²	54	80.8 Å²	80.8	29%	0.289	39%	0.387	S	S	.	.			trans	-88.4	115.2	166.7	-177.9	11.1	0	0	0	108.8	F49 L62 D63	F49-N60 HydrophobicContact CD2-CB 3.73Å; F49-N60 HydrophobicContact CE2-CB 3.89Å; N60-L62 PolarHBondContact O-N 3.03Å; N60-L62 PolarHBondContact OD1-N 3.29Å; N60-L62 VanDerWaalsContact OD1-N 3.14Å; N60-D63 HydrophobicContact CB-CB 4.31Å; N60-D63 WeakPolarHBondContact O-CB 3.45Å; N60-D63 PolarHBondContact O-N 2.96Å
61	L	96.2	Very high	94.6	Very high	17 Å²	17	72 Å²	72	9%	0.089	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-14.5	-179.6	-62.7	-178.9	0	0	0	113.6	T23 V59 D63 V67 A83 A105	T23-L61 HydrophobicContact CG2-CD2 4.15Å; V59-L61 HydrophobicContact CG1-CD2 4.31Å; L61-D63 VanDerWaalsContact C-N 3.27Å; L61-V67 HydrophobicContact CD2-CG2 3.99Å; L61-A83 HydrophobicContact CD1-CB 3.51Å; L61-A105 HydrophobicContact CB-CB 4.11Å
62	L	95.6	Very high	95.1	Very high	84 Å²	84	67.8 Å²	67.8	44%	0.44	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-9.8	172.5	-57.8	179.5	0	0	0	112.9	N60 Q100 A105	N60-L62 PolarHBondContact O-N 3.03Å; N60-L62 PolarHBondContact OD1-N 3.29Å; N60-L62 VanDerWaalsContact OD1-N 3.14Å; L62-Q100 HydrophobicContact CD2-CB 3.92Å; L62-Q100 WeakPolarHBondContact CD2-O 3.31Å; L62-A105 HydrophobicContact CD2-CB 4.21Å
63	D	96.9	Very high	95.5	Very high	72 Å²	72	74.1 Å²	74.1	39%	0.385	37%	0.373	S	S	.	.			trans	-96.3	100.2	174	-178.3	-16.3	0	0	0	109.2	N60 L61 N65 A66 V67	N60-D63 HydrophobicContact CB-CB 4.31Å; N60-D63 WeakPolarHBondContact O-CB 3.45Å; N60-D63 PolarHBondContact O-N 2.96Å; L61-D63 VanDerWaalsContact C-N 3.27Å; D63-N65 PolarHBondContact O-N 3.44Å; D63-N65 WeakPolarHBondContact OD1-CB 3.42Å; D63-N65 PolarHBondContact OD1-N 2.92Å; D63-A66 HydrophobicContact CB-CB 3.86Å; D63-A66 PolarHBondContact O-N 2.95Å; D63-A66 VanDerWaalsContact O-N 3.12Å; D63-A66 PolarHBondContact OD1-N 3.48Å; D63-A66 VanDerWaalsContact OD1-N 3.14Å; D63-V67 WeakPolarHBondContact O-CG2 3.5Å; D63-V67 PolarHBondContact O-N 2.91Å
64	S	95.4	Very high	96	Very high	61 Å²	61	66.4 Å²	66.4	43%	0.427	35%	0.345	S	S	.	.	H	α-helix	trans	-57.5	-33.2	-179.3	-62.7	0	0	0	0	113.2	V67 H68 N108	S64-V67 PolarHBondContact O-N 3.29Å; S64-H68 VanDerWaalsContact O-CB 3.27Å; S64-H68 WeakPolarHBondContact O-CB 3.36Å; S64-H68 PolarHBondContact O-N 3.31Å; S64-N108 PolarHBondContact OG-OD1 2.91Å
65	N	97.1	Very high	96.6	Very high	110 Å²	110	64 Å²	64	59%	0.588	32%	0.322	S	S	*	.	H	α-helix	trans	-71.1	-41.4	178.2	-68	-32.3	0	0	0	110.6	D63 V67 H68 H69	D63-N65 PolarHBondContact O-N 3.44Å; D63-N65 WeakPolarHBondContact OD1-CB 3.42Å; D63-N65 PolarHBondContact OD1-N 2.92Å; N65-V67 VanDerWaalsContact C-N 3.33Å; N65-V67 PolarHBondContact O-N 3.05Å; N65-H68 PolarHBondContact O-N 3.31Å; N65-H69 VanDerWaalsContact O-CG 3.27Å; N65-H69 PolarHBondContact O-N 2.82Å; N65-H69 PolarHBondContact O-ND1 2.99Å
66	A	97.1	Very high	97	Very high	26 Å²	26	56.1 Å²	56.1	22%	0.215	29%	0.289	C	S	.	.	H	α-helix	trans	-62.9	-40.8	176.1	0	0	0	0	0	111.8	V59 D63 I70	V59-A66 HydrophobicContact CG1-CB 4.19Å; D63-A66 HydrophobicContact CB-CB 3.86Å; D63-A66 PolarHBondContact O-N 2.95Å; D63-A66 VanDerWaalsContact O-N 3.12Å; D63-A66 PolarHBondContact OD1-N 3.48Å; D63-A66 VanDerWaalsContact OD1-N 3.14Å; A66-I70 WeakPolarHBondContact O-CG2 3.41Å; A66-I70 PolarHBondContact O-N 3.26Å
67	V	97.8	Very high	97.1	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.012	30%	0.297	C	S	.	.	H	α-helix	trans	-64.4	-44.4	175	175.2	0	0	0	0	111.3	L61 D63 S64 N65 I70 I71 L109 E112	L61-V67 HydrophobicContact CD2-CG2 3.99Å; D63-V67 WeakPolarHBondContact O-CG2 3.5Å; D63-V67 PolarHBondContact O-N 2.91Å; S64-V67 PolarHBondContact O-N 3.29Å; N65-V67 VanDerWaalsContact C-N 3.33Å; N65-V67 PolarHBondContact O-N 3.05Å; V67-I70 WeakPolarHBondContact O-CG2 3.41Å; V67-I71 HydrophobicContact CG1-CD1 3.89Å; V67-I71 WeakPolarHBondContact O-CG1 3.49Å; V67-I71 PolarHBondContact O-N 3.4Å; V67-L109 HydrophobicContact CG1-CD1 3.8Å; V67-E112 HydrophobicContact CG1-CG 4.27Å
68	H	98.1	Very high	97.2	Very high	69 Å²	69	52.5 Å²	52.5	32%	0.319	27%	0.272	S	S	.	.	H	α-helix	trans	-57.7	-54.5	176	177.6	76.3	0	0	0	111.1	S64 N65 I70 I71 H72 E112	S64-H68 VanDerWaalsContact O-CB 3.27Å; S64-H68 WeakPolarHBondContact O-CB 3.36Å; S64-H68 PolarHBondContact O-N 3.31Å; N65-H68 PolarHBondContact O-N 3.31Å; H68-I70 PolarHBondContact O-N 3.19Å; H68-I71 PolarHBondContact O-N 3.16Å; H68-H72 AromaticContact CE1-CD2 3.24Å; H68-H72 PolarHBondContact CE1-CD2 3.48Å; H68-H72 AromaticContact CE1-CE1 3.83Å; H68-H72 AromaticContact CE1-CG 3.7Å; H68-H72 AromaticContact CE1-NE2 3.32Å; H68-H72 PolarHBondContact CE1-NE2 2.92Å; H68-H72 VanDerWaalsContact CE1-NE2 3.32Å; H68-H72 AromaticContact CG-CD2 3.9Å; H68-H72 AromaticContact ND1-CD2 3.18Å; H68-H72 PolarHBondContact ND1-CD2 3.03Å; H68-H72 AromaticContact ND1-NE2 3.32Å; H68-H72 PolarHBondContact ND1-NE2 2.84Å; H68-H72 AromaticContact NE2-CD2 3.97Å; H68-H72 WeakPolarHBondContact O-CB 3.31Å; H68-H72 PolarHBondContact O-CD2 3.07Å; H68-H72 VanDerWaalsContact O-CD2 3.25Å; H68-H72 PolarHBondContact O-N 3Å; H68-E112 IonicContact CE1-OE2 3.87Å; H68-E112 IonicContact CG-OE2 3.83Å; H68-E112 IonicContact ND1-OE1 3.92Å; H68-E112 IonicContact ND1-OE2 2.91Å; H68-E112 PolarHBondContact ND1-OE2 3.13Å
69	H	98.1	Very high	97.4	Very high	101 Å²	101	47.5 Å²	47.5	47%	0.468	25%	0.249	S	C	.	.	H	α-helix	trans	-58.8	-49.1	-177.6	-65.7	131.9	0	0	0	112.5	N65 I71 H72 D73	N65-H69 VanDerWaalsContact O-CG 3.27Å; N65-H69 PolarHBondContact O-N 2.82Å; N65-H69 PolarHBondContact O-ND1 2.99Å; H69-I71 VanDerWaalsContact C-N 3.28Å; H69-I71 PolarHBondContact O-N 3.3Å; H69-H72 PolarHBondContact O-N 3.15Å; H69-D73 WeakPolarHBondContact O-CB 3.36Å; H69-D73 PolarHBondContact O-N 2.99Å
70	I	97.8	Very high	97.5	Very high	26 Å²	26	47 Å²	47	13%	0.133	25%	0.245	C	C	.	.	H	α-helix	trans	-62.9	-34.9	-178	-169.8	167.4	0	0	0	112.5	L21 V45 C47 E57 V59 A66 V67 H68 F74	L21-I70 HydrophobicContact CD1-CD1 3.89Å; L21-I70 HydrophobicContact CD1-CG1 4.21Å; L21-I70 HydrophobicContact CD2-CG2 4.41Å; V45-I70 HydrophobicContact CG1-CD1 4.48Å; C47-I70 HydrophobicContact CB-CD1 3.87Å; E57-I70 HydrophobicContact CB-CD1 3.96Å; E57-I70 HydrophobicContact CG-CD1 4.24Å; V59-I70 HydrophobicContact CG2-CB 4.49Å; V59-I70 HydrophobicContact CG2-CD1 3.7Å; V59-I70 HydrophobicContact CG2-CG2 4.47Å; A66-I70 WeakPolarHBondContact O-CG2 3.41Å; A66-I70 PolarHBondContact O-N 3.26Å; V67-I70 WeakPolarHBondContact O-CG2 3.41Å; H68-I70 PolarHBondContact O-N 3.19Å; I70-F74 WeakPolarHBondContact O-CB 3.38Å; I70-F74 PolarHBondContact O-N 2.96Å
71	I	98.4	Very high	97.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-74	-47.2	178.4	-70.5	172.8	0	0	0	110.8	L21 V67 H68 H69 Q75 P76 I79 L109 E112 V116	L21-I71 HydrophobicContact CD2-CG1 3.8Å; V67-I71 HydrophobicContact CG1-CD1 3.89Å; V67-I71 WeakPolarHBondContact O-CG1 3.49Å; V67-I71 PolarHBondContact O-N 3.4Å; H68-I71 PolarHBondContact O-N 3.16Å; H69-I71 VanDerWaalsContact C-N 3.28Å; H69-I71 PolarHBondContact O-N 3.3Å; I71-Q75 WeakPolarHBondContact O-CA 3.23Å; I71-Q75 PolarHBondContact O-N 3.38Å; I71-P76 HydrophobicContact CG2-CG 4.34Å; I71-P76 WeakPolarHBondContact O-CD 2.99Å; I71-I79 HydrophobicContact CD1-CD1 3.8Å; I71-I79 HydrophobicContact CG1-CD1 4.02Å; I71-L109 HydrophobicContact CD1-CD1 3.74Å; I71-E112 HydrophobicContact CD1-CB 3.54Å; I71-E112 HydrophobicContact CD1-CG 4.5Å; I71-E112 HydrophobicContact CG2-CB 4.44Å; I71-V116 HydrophobicContact CG2-CB 4.47Å; I71-V116 HydrophobicContact CG2-CG1 3.96Å; I71-V116 HydrophobicContact CG2-CG2 3.65Å
72	H	97.6	Very high	97.7	Very high	57 Å²	57	44.8 Å²	44.8	26%	0.264	24%	0.236	S	C	.	.	H	α-helix	trans	-74.5	-30.3	-175.5	-76.9	-95.4	0	0	0	113	H68 H69 Q75 E112	H68-H72 AromaticContact CE1-CD2 3.24Å; H68-H72 PolarHBondContact CE1-CD2 3.48Å; H68-H72 AromaticContact CE1-CE1 3.83Å; H68-H72 AromaticContact CE1-CG 3.7Å; H68-H72 AromaticContact CE1-NE2 3.32Å; H68-H72 PolarHBondContact CE1-NE2 2.92Å; H68-H72 VanDerWaalsContact CE1-NE2 3.32Å; H68-H72 AromaticContact CG-CD2 3.9Å; H68-H72 AromaticContact ND1-CD2 3.18Å; H68-H72 PolarHBondContact ND1-CD2 3.03Å; H68-H72 AromaticContact ND1-NE2 3.32Å; H68-H72 PolarHBondContact ND1-NE2 2.84Å; H68-H72 AromaticContact NE2-CD2 3.97Å; H68-H72 WeakPolarHBondContact O-CB 3.31Å; H68-H72 PolarHBondContact O-CD2 3.07Å; H68-H72 VanDerWaalsContact O-CD2 3.25Å; H68-H72 PolarHBondContact O-N 3Å; H69-H72 PolarHBondContact O-N 3.15Å; H72-Q75 WeakPolarHBondContact O-CG 3.48Å; H72-Q75 PolarHBondContact O-NE2 2.92Å; H72-E112 IonicContact CD2-OE2 3.43Å; H72-E112 PolarHBondContact CD2-OE2 2.88Å; H72-E112 IonicContact NE2-OE2 2.94Å; H72-E112 PolarHBondContact NE2-OE2 2.94Å
73	D	97.2	Very high	97.6	Very high	135 Å²	135	41.6 Å²	41.6	72%	0.722	22%	0.221	S	C	*	.	H	α-helix	trans	-74.2	-40.4	174.5	-67.3	-16.8	0	0	0	111.4	H69	H69-D73 WeakPolarHBondContact O-CB 3.36Å; H69-D73 PolarHBondContact O-N 2.99Å
74	F	97.6	Very high	97.3	Very high	27 Å²	27	39.8 Å²	39.8	12%	0.118	22%	0.216	C	C	.	.	H	α-helix	trans	-84	-26	-176.4	-175.6	-118.3	0	0	0	113.9	R19 V20 L21 H43 V45 I70 P76	R19-F74 HydrophobicContact CB-CE1 3.88Å; R19-F74 HydrophobicContact CB-CZ 3.76Å; R19-F74 WeakPolarHBondContact CD-O 3.27Å; R19-F74 HydrophobicContact CG-CE2 4.41Å; R19-F74 HydrophobicContact CG-CZ 4.08Å; R19-F74 PolarHBondContact NE-O 2.74Å; V20-F74 WeakPolarHBondContact O-CE1 3.48Å; L21-F74 HydrophobicContact CB-CD1 4.2Å; L21-F74 HydrophobicContact CB-CE1 4.26Å; H43-F74 AromaticContact CE1-CE2 3.59Å; H43-F74 AromaticContact ND1-CE2 3.67Å; V45-F74 HydrophobicContact CB-CD1 4.48Å; V45-F74 HydrophobicContact CB-CD2 4.39Å; V45-F74 HydrophobicContact CB-CE1 4.12Å; V45-F74 HydrophobicContact CB-CE2 4.01Å; V45-F74 HydrophobicContact CB-CZ 3.86Å; V45-F74 HydrophobicContact CG2-CD2 3.75Å; V45-F74 HydrophobicContact CG2-CE1 4.27Å; V45-F74 HydrophobicContact CG2-CE2 3.26Å; V45-F74 HydrophobicContact CG2-CG 4.42Å; V45-F74 HydrophobicContact CG2-CZ 3.56Å; I70-F74 WeakPolarHBondContact O-CB 3.38Å; I70-F74 PolarHBondContact O-N 2.96Å; F74-P76 HydrophobicContact CD1-CB 3.82Å; F74-P76 HydrophobicContact CD1-CG 4.29Å; F74-P76 HydrophobicContact CE1-CB 4Å
75	Q	97.6	Very high	97	Very high	79 Å²	79	38.6 Å²	38.6	37%	0.369	20%	0.204	S	C	.	.			trans	49.1	59.2	-176.6	-65.9	-69.3	-49.9	0	0	112.4	R19 I71 H72	R19-Q75 PolarHBondContact NE-O 3.1Å; R19-Q75 PolarHBondContact NH2-O 3.33Å; I71-Q75 WeakPolarHBondContact O-CA 3.23Å; I71-Q75 PolarHBondContact O-N 3.38Å; H72-Q75 WeakPolarHBondContact O-CG 3.48Å; H72-Q75 PolarHBondContact O-NE2 2.92Å
76	P	98.1	Very high	96.4	Very high	4 Å²	4	38.8 Å²	38.8	3%	0.026	20%	0.197	C	C	.	.			trans	-63.9	144.7	-176.8	26.1	-32.3	0	0	0	111.9	L21 I71 F74 V78 I79 A118	L21-P76 HydrophobicContact CB-CB 4Å; L21-P76 HydrophobicContact CB-CG 4.25Å; I71-P76 HydrophobicContact CG2-CG 4.34Å; I71-P76 WeakPolarHBondContact O-CD 2.99Å; F74-P76 HydrophobicContact CD1-CB 3.82Å; F74-P76 HydrophobicContact CD1-CG 4.29Å; F74-P76 HydrophobicContact CE1-CB 4Å; P76-V78 WeakPolarHBondContact CB-O 3.28Å; P76-I79 HydrophobicContact CB-CG1 4.06Å; P76-I79 HydrophobicContact CG-CD1 3.85Å; P76-I79 HydrophobicContact CG-CG1 3.7Å; P76-A118 HydrophobicContact CG-CB 4.32Å; P76-A118 VanDerWaalsContact O-CB 3.31Å; P76-A118 WeakPolarHBondContact O-CB 3.29Å
77	H	98.2	Very high	95.7	Very high	60 Å²	60	43.6 Å²	43.6	28%	0.278	21%	0.209	S	C	.	.	S	Bend	trans	-79.4	-31.8	165.6	-56.9	135.5	0	0	0	110.9	N17 R19 F119 M228	N17-H77 PolarHBondContact O-CE1 3.23Å; N17-H77 VanDerWaalsContact O-CE1 3.23Å; R19-H77 PolarHBondContact N-ND1 3.36Å; R19-H77 VanDerWaalsContact N-ND1 3.16Å; R19-H77 PolarHBondContact NH2-NE2 2.81Å; R19-H77 PolarHBondContact O-N 3Å; H77-F119 PolarHBondContact O-N 3.02Å; H77-M228 HydrophobicContact CB-CE 4.3Å
78	V	98.6	Very high	95	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	140.6	-179.2	179.6	0	0	0	0	109.9	R19 V20 L21 W42 P76 V80 F119 I121 A224	R19-V78 PolarHBondContact O-N 3.23Å; V20-V78 CarbonylContact C-O 3.45Å; V20-V78 VanDerWaalsContact CA-O 3.27Å; V20-V78 WeakPolarHBondContact CA-O 3.5Å; V20-V78 HydrophobicContact CB-CB 4.5Å; V20-V78 HydrophobicContact CG2-CB 4.18Å; V20-V78 HydrophobicContact CG2-CG1 4.18Å; L21-V78 PolarHBondContact N-O 3.16Å; W42-V78 HydrophobicContact CH2-CB 4.42Å; W42-V78 HydrophobicContact CH2-CG2 3.63Å; W42-V78 HydrophobicContact CZ3-CB 4.04Å; W42-V78 HydrophobicContact CZ3-CG2 3.67Å; P76-V78 WeakPolarHBondContact CB-O 3.28Å; V78-V80 HydrophobicContact CG1-CG2 4.16Å; V78-F119 CarbonylContact C-O 3.6Å; V78-F119 VanDerWaalsContact CA-O 3.29Å; V78-F119 WeakPolarHBondContact CA-O 3.33Å; V78-F119 HydrophobicContact CG1-CD1 4.44Å; V78-F119 HydrophobicContact CG2-CB 4.41Å; V78-F119 HydrophobicContact CG2-CD1 4.46Å; V78-I121 HydrophobicContact CG1-CD1 4.3Å; V78-A224 HydrophobicContact CB-CB 4.49Å; V78-A224 HydrophobicContact CG1-CB 4.02Å; V78-A224 HydrophobicContact CG2-CB 3.84Å
79	I	98.9	Very high	94.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127.1	168.5	-54.6	-175.6	0	0	0	107.8	L21 T23 I71 P76 L109 A113 A118 F119 L120 I121	L21-I79 HydrophobicContact CB-CG1 4.26Å; L21-I79 HydrophobicContact CD2-CD1 4.4Å; L21-I79 CarbonylContact O-C 3.55Å; L21-I79 VanDerWaalsContact O-CA 3.28Å; L21-I79 WeakPolarHBondContact O-CA 3.44Å; T23-I79 HydrophobicContact CG2-CG2 4.49Å; I71-I79 HydrophobicContact CD1-CD1 3.8Å; I71-I79 HydrophobicContact CG1-CD1 4.02Å; P76-I79 HydrophobicContact CB-CG1 4.06Å; P76-I79 HydrophobicContact CG-CD1 3.85Å; P76-I79 HydrophobicContact CG-CG1 3.7Å; I79-L109 HydrophobicContact CG2-CD2 4.1Å; I79-L109 HydrophobicContact CG2-CG 4.49Å; I79-A113 HydrophobicContact CD1-CB 3.81Å; I79-A118 HydrophobicContact CD1-CB 4.22Å; I79-A118 HydrophobicContact CG1-CB 4.08Å; I79-F119 PolarHBondContact N-O 2.7Å; I79-L120 HydrophobicContact CB-CD1 3.86Å; I79-L120 HydrophobicContact CG2-CD1 3.77Å; I79-L120 CarbonylContact O-C 3.56Å; I79-L120 WeakPolarHBondContact O-CA 3.35Å; I79-I121 PolarHBondContact O-N 3.3Å
80	V	98.9	Very high	93.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	113.4	170	-168.8	0	0	0	0	108.5	V20 L21 V22 T23 V33 F37 V78 C82 I121 I123 C220	V20-V80 HydrophobicContact CG2-CG2 4.11Å; L21-V80 PolarHBondContact O-N 2.93Å; V22-V80 WeakPolarHBondContact CA-O 3.31Å; T23-V80 PolarHBondContact N-O 3.28Å; V33-V80 HydrophobicContact CG1-CB 3.94Å; V33-V80 HydrophobicContact CG1-CG1 3.92Å; V33-V80 HydrophobicContact CG1-CG2 3.99Å; V33-V80 HydrophobicContact CG2-CG1 4.47Å; F37-V80 HydrophobicContact CE2-CG2 3.87Å; F37-V80 HydrophobicContact CZ-CG2 4.16Å; V78-V80 HydrophobicContact CG1-CG2 4.16Å; V80-C82 PolarHBondContact O-N 3.26Å; V80-I121 HydrophobicContact CG1-CB 4.41Å; V80-I121 HydrophobicContact CG2-CB 4.5Å; V80-I121 HydrophobicContact CG2-CD1 4.37Å; V80-I123 HydrophobicContact CG1-CD1 4.31Å; V80-I123 HydrophobicContact CG1-CG1 4.42Å; V80-C220 HydrophobicContact CG1-CB 4.4Å; V80-C220 HydrophobicContact CG2-CB 4.46Å
81	H	98.8	Very high	92.9	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	95.7	-175.9	-176.6	28.6	0	0	0	111.5	T23 A83 S106 L109 L120 I121 Y122 I123	T23-H81 WeakPolarHBondContact OG1-CA 3.34Å; T23-H81 PolarHBondContact OG1-ND1 3.28Å; H81-A83 PolarHBondContact CE1-O 3.03Å; H81-A83 VanDerWaalsContact CE1-O 3.3Å; H81-S106 PolarHBondContact NE2-OG 2.66Å; H81-S106 VanDerWaalsContact NE2-OG 3.16Å; H81-L109 HydrophobicContact CB-CD2 3.61Å; H81-L109 VanDerWaalsContact CG-CD2 3.42Å; H81-L120 HydrophobicContact CB-CD1 3.93Å; H81-I121 PolarHBondContact N-O 3.18Å; H81-Y122 HydrophobicContact CB-CD2 4.4Å; H81-Y122 AromaticContact CD2-CD2 3.51Å; H81-Y122 AromaticContact CD2-CE2 3.79Å; H81-I123 WeakPolarHBondContact O-CB 3.45Å; H81-I123 WeakPolarHBondContact O-CG1 3.44Å; H81-I123 PolarHBondContact O-N 3.04Å
82	C	97.9	Very high	92.3	Very high	25 Å²	25	44 Å²	44	17%	0.169	22%	0.217	C	C	.	.			trans	-101	-5.7	-179.7	-54.4	0	0	0	0	113.8	T23 L29 V80	T23-C82 WeakPolarHBondContact O-CA 3.27Å; T23-C82 VanDerWaalsContact O-CB 3.31Å; T23-C82 WeakPolarHBondContact O-CB 3.38Å; T23-C82 PolarHBondContact O-N 2.84Å; L29-C82 HydrophobicContact CD2-CB 4.48Å; V80-C82 PolarHBondContact O-N 3.26Å
83	A	94.3	Very high	91.7	Very high	17 Å²	17	47.5 Å²	47.5	14%	0.14	24%	0.238	C	C	.	.			trans	-76.7	129.1	-179.1	0	0	0	0	0	111.2	T23 L61 H81	T23-A83 PolarHBondContact O-N 2.79Å; L61-A83 HydrophobicContact CD1-CB 3.51Å; H81-A83 PolarHBondContact CE1-O 3.03Å; H81-A83 VanDerWaalsContact CE1-O 3.3Å
84	A	90.3	Very high	91.4	Very high	34 Å²	34	46.5 Å²	46.5	28%	0.281	23%	0.229	S	C	.	.			trans	-163.7	156	172.9	0	0	0	0	0	110	R86 N102	A84-R86 PolarHBondContact O-N 3.31Å; A84-N102 VanDerWaalsContact CA-OD1 3.26Å; A84-N102 WeakPolarHBondContact CA-OD1 3.5Å; A84-N102 WeakPolarHBondContact CB-OD1 3.36Å
85	E	88.8	Confident	91.1	Very high	35 Å²	35	47.9 Å²	47.9	16%	0.164	24%	0.24	C	C	.	.			trans	-77.4	109.1	154.8	179.3	52.3	-101.6	0	0	108	R87 V90 V91 L101 N102 Y148	E85-R87 VanDerWaalsContact OE1-CB 3.32Å; E85-R87 WeakPolarHBondContact OE1-CB 3.29Å; E85-R87 IonicContact OE1-CZ 2.66Å; E85-R87 PolarHBondContact OE1-N 3.12Å; E85-R87 IonicContact OE1-NE 3.59Å; E85-R87 PolarHBondContact OE1-NE 2.8Å; E85-R87 IonicContact OE1-NH2 3.97Å; E85-R87 IonicContact OE2-CZ 3.4Å; E85-R87 IonicContact OE2-NE 3.15Å; E85-R87 IonicContact OE2-NH2 3.28Å; E85-R87 PolarHBondContact OE2-NH2 3.46Å; E85-V90 HydrophobicContact CG-CB 4.31Å; E85-V90 HydrophobicContact CG-CG1 4.05Å; E85-V91 HydrophobicContact CB-CG2 4.32Å; E85-V91 HydrophobicContact CG-CG2 3.76Å; E85-L101 HydrophobicContact CB-CD2 4.31Å; E85-N102 PolarHBondContact N-OD1 3.02Å; E85-N102 PolarHBondContact O-ND2 3.47Å; E85-Y148 WeakPolarHBondContact O-CD2 3.49Å
86	R	83.6	Confident	91	Very high	115 Å²	115	50 Å²	50	43%	0.434	25%	0.254	S	S	.	.			trans	-99.1	-3.1	-169.8	67.8	170.1	-178.4	79.3	1.7	114.4	A84 P88 Y148 E182 E183	A84-R86 PolarHBondContact O-N 3.31Å; R86-P88 WeakPolarHBondContact O-CD 3.42Å; R86-Y148 HydrophobicContact CB-CE2 4.43Å; R86-E182 PolarHBondContact NH2-O 2.84Å; R86-E183 PolarHBondContact NH2-O 3.44Å
87	R	83.1	Confident	90.6	Very high	126 Å²	126	52.2 Å²	52.2	48%	0.475	27%	0.273	S	S	.	.			trans	-98.5	109.1	-174.2	-63.8	169.1	-69.5	173	3	108.9	E85 D89 V90 V91	E85-R87 VanDerWaalsContact OE1-CB 3.32Å; E85-R87 WeakPolarHBondContact OE1-CB 3.29Å; E85-R87 IonicContact OE1-CZ 2.66Å; E85-R87 PolarHBondContact OE1-N 3.12Å; E85-R87 IonicContact OE1-NE 3.59Å; E85-R87 PolarHBondContact OE1-NE 2.8Å; E85-R87 IonicContact OE1-NH2 3.97Å; E85-R87 IonicContact OE2-CZ 3.4Å; E85-R87 IonicContact OE2-NE 3.15Å; E85-R87 IonicContact OE2-NH2 3.28Å; E85-R87 PolarHBondContact OE2-NH2 3.46Å; R87-D89 VanDerWaalsContact C-N 3.26Å; R87-D89 PolarHBondContact O-N 3.03Å; R87-V90 HydrophobicContact CB-CB 4.01Å; R87-V90 HydrophobicContact CB-CG2 3.79Å; R87-V90 PolarHBondContact O-N 2.84Å; R87-V91 PolarHBondContact O-N 3.28Å
88	P	82.8	Confident	90.3	Very high	21 Å²	21	49.5 Å²	49.5	14%	0.136	26%	0.26	C	S	.	.	H	α-helix	trans	-52.4	-43.8	-178.3	-28.6	35.9	0	0	0	113.5	R86 V90 V91 E92 Y127 Y148 A276	R86-P88 WeakPolarHBondContact O-CD 3.42Å; P88-V90 VanDerWaalsContact C-N 3.26Å; P88-V90 PolarHBondContact O-N 3.48Å; P88-V91 PolarHBondContact O-N 3.29Å; P88-V91 VanDerWaalsContact O-N 3.16Å; P88-E92 PolarHBondContact O-N 3.34Å; P88-Y127 HydrophobicContact CG-CE2 4.22Å; P88-Y148 HydrophobicContact CG-CD1 4.02Å; P88-Y148 HydrophobicContact CG-CG 4.13Å; P88-A276 HydrophobicContact CB-CB 3.85Å
89	D	82.4	Confident	90.1	Very high	76 Å²	76	51.5 Å²	51.5	41%	0.406	28%	0.275	S	S	.	.	H	α-helix	trans	-64.3	-29.9	-179.8	-48.3	-41	0	0	0	112.4	R87 N93 R278	R87-D89 VanDerWaalsContact C-N 3.26Å; R87-D89 PolarHBondContact O-N 3.03Å; D89-N93 PolarHBondContact O-N 3.24Å; D89-N93 PolarHBondContact O-ND2 3.44Å; D89-R278 IonicContact OD1-NH2 3.61Å
90	V	82.9	Confident	89.9	Confident	32 Å²	32	56 Å²	56	19%	0.194	30%	0.296	C	S	.	.	H	α-helix	trans	-77.5	-39.8	175.6	177.9	0	0	0	0	110.8	E85 R87 P88 E92 N93 Q94	E85-V90 HydrophobicContact CG-CB 4.31Å; E85-V90 HydrophobicContact CG-CG1 4.05Å; R87-V90 HydrophobicContact CB-CB 4.01Å; R87-V90 HydrophobicContact CB-CG2 3.79Å; R87-V90 PolarHBondContact O-N 2.84Å; P88-V90 VanDerWaalsContact C-N 3.26Å; P88-V90 PolarHBondContact O-N 3.48Å; V90-E92 VanDerWaalsContact C-N 3.33Å; V90-E92 PolarHBondContact O-N 2.91Å; V90-N93 PolarHBondContact O-N 3.19Å; V90-Q94 PolarHBondContact O-N 2.84Å
91	V	85.4	Confident	89.7	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-60	-44.1	176.8	174.3	0	0	0	0	110.8	E85 R87 P88 N93 Q94 P95 A98 L147 Y148 T151	E85-V91 HydrophobicContact CB-CG2 4.32Å; E85-V91 HydrophobicContact CG-CG2 3.76Å; R87-V91 PolarHBondContact O-N 3.28Å; P88-V91 PolarHBondContact O-N 3.29Å; P88-V91 VanDerWaalsContact O-N 3.16Å; V91-N93 VanDerWaalsContact C-N 3.28Å; V91-N93 PolarHBondContact O-N 2.84Å; V91-Q94 CarbonylContact O-C 3.27Å; V91-Q94 PolarHBondContact O-N 3.39Å; V91-P95 WeakPolarHBondContact O-CA 3.49Å; V91-A98 HydrophobicContact CB-CB 4.12Å; V91-A98 HydrophobicContact CG1-CB 3.73Å; V91-A98 HydrophobicContact CG2-CB 3.9Å; V91-L147 HydrophobicContact CG1-CB 3.9Å; V91-L147 HydrophobicContact CG1-CD2 3.89Å; V91-L147 HydrophobicContact CG1-CG 3.61Å; V91-Y148 HydrophobicContact CG2-CD2 4.28Å; V91-T151 HydrophobicContact CG1-CG2 4.19Å
92	E	84.9	Confident	89.5	Confident	77 Å²	77	58.2 Å²	58.2	36%	0.36	31%	0.308	S	S	.	.	H	α-helix	trans	-62.2	-35	176.7	-72.4	-175	172.6	0	0	113	P88 V90 L147 A276	P88-E92 PolarHBondContact O-N 3.34Å; V90-E92 VanDerWaalsContact C-N 3.33Å; V90-E92 PolarHBondContact O-N 2.91Å; E92-L147 HydrophobicContact CG-CB 4.21Å; E92-A276 WeakPolarHBondContact OE1-CA 3.45Å; E92-A276 WeakPolarHBondContact OE1-CB 3.41Å; E92-A276 PolarHBondContact OE2-N 3.48Å
93	N	85.8	Confident	89.5	Confident	131 Å²	131	57.9 Å²	57.9	70%	0.701	31%	0.305	S	S	*	.	H	α-helix	trans	-82.5	-22	179.5	-74.1	-50.1	0	0	0	113.8	D89 V90 V91	D89-N93 PolarHBondContact O-N 3.24Å; D89-N93 PolarHBondContact O-ND2 3.44Å; V90-N93 PolarHBondContact O-N 3.19Å; V91-N93 VanDerWaalsContact C-N 3.28Å; V91-N93 PolarHBondContact O-N 2.84Å
94	Q	91.5	Very high	89.6	Confident	115 Å²	115	61.8 Å²	61.8	54%	0.537	32%	0.323	S	S	.	.			trans	-136.6	62.1	-176.6	-62.2	-179.8	37.4	0	0	111.1	V90 V91 D96 A97 A98	V90-Q94 PolarHBondContact O-N 2.84Å; V91-Q94 CarbonylContact O-C 3.27Å; V91-Q94 PolarHBondContact O-N 3.39Å; Q94-D96 PolarHBondContact O-N 2.9Å; Q94-A97 HydrophobicContact CB-CB 4.36Å; Q94-A97 PolarHBondContact O-N 3.23Å; Q94-A98 WeakPolarHBondContact O-CB 3.16Å; Q94-A98 PolarHBondContact O-N 2.86Å
95	P	91.3	Very high	90	Very high	55 Å²	55	60.4 Å²	60.4	36%	0.357	31%	0.312	S	S	.	.	H	α-helix	trans	-61.1	-43.3	-170.3	25.2	-36.7	0	0	0	113.1	V91 A98 S99 L147	V91-P95 WeakPolarHBondContact O-CA 3.49Å; P95-A98 PolarHBondContact O-N 3.41Å; P95-S99 WeakPolarHBondContact O-CB 3.22Å; P95-S99 PolarHBondContact O-N 3.05Å; P95-L147 HydrophobicContact CB-CD2 3.61Å
96	D	93.7	Very high	90.4	Very high	125 Å²	125	58.8 Å²	58.8	67%	0.668	30%	0.304	S	S	*	.	H	α-helix	trans	-67	-44.6	-177	-61	-23.2	0	0	0	111.6	Q94 A98 S99 Q100	Q94-D96 PolarHBondContact O-N 2.9Å; D96-A98 VanDerWaalsContact C-N 3.32Å; D96-A98 PolarHBondContact O-N 2.85Å; D96-S99 PolarHBondContact O-N 3.36Å; D96-Q100 WeakPolarHBondContact O-CG 3.46Å; D96-Q100 PolarHBondContact O-N 3.31Å
97	A	91.6	Very high	91.1	Very high	49 Å²	49	53.6 Å²	53.6	41%	0.405	29%	0.287	S	S	.	.	H	α-helix	trans	-65.1	-38	177.2	0	0	0	0	0	111.6	Q94 L101	Q94-A97 HydrophobicContact CB-CB 4.36Å; Q94-A97 PolarHBondContact O-N 3.23Å; A97-L101 WeakPolarHBondContact O-CB 3.46Å; A97-L101 PolarHBondContact O-N 2.93Å; A97-L101 VanDerWaalsContact O-N 3.12Å
98	A	90.6	Very high	91.9	Very high	3 Å²	3	49.1 Å²	49.1	3%	0.025	27%	0.272	C	S	.	.	H	α-helix	trans	-66	-40	174	0	0	0	0	0	111.8	V91 Q94 P95 D96 L101 N102	V91-A98 HydrophobicContact CB-CB 4.12Å; V91-A98 HydrophobicContact CG1-CB 3.73Å; V91-A98 HydrophobicContact CG2-CB 3.9Å; Q94-A98 WeakPolarHBondContact O-CB 3.16Å; Q94-A98 PolarHBondContact O-N 2.86Å; P95-A98 PolarHBondContact O-N 3.41Å; D96-A98 VanDerWaalsContact C-N 3.32Å; D96-A98 PolarHBondContact O-N 2.85Å; A98-L101 PolarHBondContact O-N 3.35Å; A98-N102 WeakPolarHBondContact O-CB 3.38Å; A98-N102 PolarHBondContact O-N 3.44Å
99	S	94.1	Very high	92.6	Very high	45 Å²	45	48.3 Å²	48.3	32%	0.315	27%	0.267	S	S	.	.	H	α-helix	trans	-63.9	-47.7	175.6	-167.1	0	0	0	0	111.6	P95 D96 L101 N102 V103 D104	P95-S99 WeakPolarHBondContact O-CB 3.22Å; P95-S99 PolarHBondContact O-N 3.05Å; D96-S99 PolarHBondContact O-N 3.36Å; S99-L101 VanDerWaalsContact C-N 3.29Å; S99-L101 PolarHBondContact O-N 3.48Å; S99-N102 PolarHBondContact O-N 3.34Å; S99-V103 WeakPolarHBondContact O-CA 3.26Å; S99-V103 VanDerWaalsContact O-CB 3.22Å; S99-V103 WeakPolarHBondContact O-CB 3.42Å; S99-V103 PolarHBondContact O-N 3.07Å; S99-D104 PolarHBondContact O-N 2.77Å
100	Q	95.1	Very high	93.4	Very high	95 Å²	95	44.7 Å²	44.7	44%	0.444	25%	0.247	S	C	.	.	I	π-helix	trans	-56.5	-43.6	177.3	-74.2	175.9	1.6	0	0	112	L62 D96 A105	L62-Q100 HydrophobicContact CD2-CB 3.92Å; L62-Q100 WeakPolarHBondContact CD2-O 3.31Å; D96-Q100 WeakPolarHBondContact O-CG 3.46Å; D96-Q100 PolarHBondContact O-N 3.31Å; Q100-A105 WeakPolarHBondContact O-CB 3.39Å; Q100-A105 PolarHBondContact O-N 2.9Å
101	L	94	Very high	94.1	Very high	47 Å²	47	48.7 Å²	48.7	25%	0.246	26%	0.262	C	S	.	.	I	π-helix	trans	-78.4	-44.4	-179	-178.3	62	0	0	0	113.4	E85 A97 A98 S99 A105	E85-L101 HydrophobicContact CB-CD2 4.31Å; A97-L101 WeakPolarHBondContact O-CB 3.46Å; A97-L101 PolarHBondContact O-N 2.93Å; A97-L101 VanDerWaalsContact O-N 3.12Å; A98-L101 PolarHBondContact O-N 3.35Å; S99-L101 VanDerWaalsContact C-N 3.29Å; S99-L101 PolarHBondContact O-N 3.48Å; L101-A105 WeakPolarHBondContact O-CB 3.28Å
102	N	95.7	Very high	94.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.267	C	S	.	.	I	π-helix	trans	-85.7	-24.8	-172.3	-67.5	-8.9	0	0	0	112.8	A84 E85 A98 S99 S106 Y122 T151	A84-N102 VanDerWaalsContact CA-OD1 3.26Å; A84-N102 WeakPolarHBondContact CA-OD1 3.5Å; A84-N102 WeakPolarHBondContact CB-OD1 3.36Å; E85-N102 PolarHBondContact N-OD1 3.02Å; E85-N102 PolarHBondContact O-ND2 3.47Å; A98-N102 WeakPolarHBondContact O-CB 3.38Å; A98-N102 PolarHBondContact O-N 3.44Å; S99-N102 PolarHBondContact O-N 3.34Å; N102-S106 WeakPolarHBondContact O-CB 3.17Å; N102-S106 PolarHBondContact O-OG 3.28Å; N102-Y122 PolarHBondContact O-OH 2.83Å; N102-T151 PolarHBondContact ND2-OG1 3.35Å; N102-T151 VanDerWaalsContact ND2-OG1 3.16Å
103	V	97.4	Very high	95.4	Very high	18 Å²	18	46.1 Å²	46.1	11%	0.109	25%	0.25	C	S	.	.	I	π-helix	trans	-111.6	-65.5	-175.2	-171.2	0	0	0	0	110.6	S99 A105 S106 G107 D154 A158	S99-V103 WeakPolarHBondContact O-CA 3.26Å; S99-V103 VanDerWaalsContact O-CB 3.22Å; S99-V103 WeakPolarHBondContact O-CB 3.42Å; S99-V103 PolarHBondContact O-N 3.07Å; V103-A105 PolarHBondContact O-N 3.11Å; V103-S106 WeakPolarHBondContact O-CB 3.37Å; V103-S106 PolarHBondContact O-N 3Å; V103-G107 PolarHBondContact O-N 3.43Å; V103-D154 HydrophobicContact CG1-CB 4.29Å; V103-D154 HydrophobicContact CG2-CB 3.89Å; V103-A158 HydrophobicContact CG1-CB 4.04Å
104	D	97.6	Very high	96	Very high	98 Å²	98	42.1 Å²	42.1	52%	0.524	24%	0.235	S	C	.	.	I	π-helix	trans	-65.9	-46.7	-170.1	-57.3	-23.8	0	0	0	111.6	S99 S106 G107 N108	S99-D104 PolarHBondContact O-N 2.77Å; D104-S106 VanDerWaalsContact C-N 3.3Å; D104-S106 PolarHBondContact O-N 3.25Å; D104-G107 PolarHBondContact O-N 3.24Å; D104-N108 WeakPolarHBondContact O-CB 3.34Å; D104-N108 PolarHBondContact O-N 3.15Å
105	A	97.4	Very high	96.3	Very high	6 Å²	6	40.1 Å²	40.1	5%	0.05	24%	0.238	C	C	.	.	H	α-helix	trans	-62.6	-37.2	176.2	0	0	0	0	0	112.3	L61 L62 Q100 L101 V103 N108 L109	L61-A105 HydrophobicContact CB-CB 4.11Å; L62-A105 HydrophobicContact CD2-CB 4.21Å; Q100-A105 WeakPolarHBondContact O-CB 3.39Å; Q100-A105 PolarHBondContact O-N 2.9Å; L101-A105 WeakPolarHBondContact O-CB 3.28Å; V103-A105 PolarHBondContact O-N 3.11Å; A105-N108 PolarHBondContact O-N 3.49Å; A105-L109 VanDerWaalsContact O-CB 3.31Å; A105-L109 WeakPolarHBondContact O-CB 3.41Å; A105-L109 PolarHBondContact O-N 3.49Å
106	S	98.3	Very high	96.6	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.6	-44.4	176.2	-56.4	0	0	0	0	111.4	H81 N102 V103 D104 L109 A110	H81-S106 PolarHBondContact NE2-OG 2.66Å; H81-S106 VanDerWaalsContact NE2-OG 3.16Å; N102-S106 WeakPolarHBondContact O-CB 3.17Å; N102-S106 PolarHBondContact O-OG 3.28Å; V103-S106 WeakPolarHBondContact O-CB 3.37Å; V103-S106 PolarHBondContact O-N 3Å; D104-S106 VanDerWaalsContact C-N 3.3Å; D104-S106 PolarHBondContact O-N 3.25Å; S106-L109 PolarHBondContact O-N 2.89Å; S106-A110 WeakPolarHBondContact O-CB 3.39Å; S106-A110 PolarHBondContact O-N 3.07Å
107	G	98.4	Very high	96.8	Very high	7 Å²	7	36.1 Å²	36.1	7%	0.072	23%	0.231	C	C	.	.	H	α-helix	trans	-63.9	-44.1	175.8	0	0	0	0	0	112.4	V103 D104 L109 A110 K111	V103-G107 PolarHBondContact O-N 3.43Å; D104-G107 PolarHBondContact O-N 3.24Å; G107-L109 PolarHBondContact O-N 3Å; G107-A110 PolarHBondContact O-N 3.27Å; G107-K111 PolarHBondContact O-N 3.45Å
108	N	98.4	Very high	97.1	Very high	32 Å²	32	34 Å²	34	17%	0.171	21%	0.213	C	C	.	.	H	α-helix	trans	-61.5	-44.4	175	-174.8	72.8	0	0	0	111.7	S64 D104 A105 A110 K111 E112	S64-N108 PolarHBondContact OG-OD1 2.91Å; D104-N108 WeakPolarHBondContact O-CB 3.34Å; D104-N108 PolarHBondContact O-N 3.15Å; A105-N108 PolarHBondContact O-N 3.49Å; N108-A110 VanDerWaalsContact C-N 3.33Å; N108-A110 PolarHBondContact O-N 2.92Å; N108-K111 WeakPolarHBondContact O-CB 3.37Å; N108-K111 PolarHBondContact O-N 3.36Å; N108-E112 PolarHBondContact O-N 3.24Å
109	L	98.3	Very high	97.5	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.016	21%	0.214	C	C	.	.	H	α-helix	trans	-61	-41.5	175.8	-169.5	77.4	0	0	0	111.7	T23 V67 I71 I79 H81 A105 S106 G107 E112 A113 L120	T23-L109 HydrophobicContact CG2-CD1 4.13Å; T23-L109 HydrophobicContact CG2-CD2 4.14Å; V67-L109 HydrophobicContact CG1-CD1 3.8Å; I71-L109 HydrophobicContact CD1-CD1 3.74Å; I79-L109 HydrophobicContact CG2-CD2 4.1Å; I79-L109 HydrophobicContact CG2-CG 4.49Å; H81-L109 HydrophobicContact CB-CD2 3.61Å; H81-L109 VanDerWaalsContact CG-CD2 3.42Å; A105-L109 VanDerWaalsContact O-CB 3.31Å; A105-L109 WeakPolarHBondContact O-CB 3.41Å; A105-L109 PolarHBondContact O-N 3.49Å; S106-L109 PolarHBondContact O-N 2.89Å; G107-L109 PolarHBondContact O-N 3Å; L109-E112 PolarHBondContact O-N 3.09Å; L109-A113 VanDerWaalsContact O-CB 3.29Å; L109-A113 WeakPolarHBondContact O-CB 3.31Å; L109-A113 PolarHBondContact O-N 3.42Å; L109-L120 HydrophobicContact CD2-CD1 4.11Å
110	A	98.8	Very high	97.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.1	-42	176.7	0	0	0	0	0	112.4	S106 G107 N108 A113 A114 L120 V159 N162 N163	S106-A110 WeakPolarHBondContact O-CB 3.39Å; S106-A110 PolarHBondContact O-N 3.07Å; G107-A110 PolarHBondContact O-N 3.27Å; N108-A110 VanDerWaalsContact C-N 3.33Å; N108-A110 PolarHBondContact O-N 2.92Å; A110-A113 WeakPolarHBondContact O-CB 3.32Å; A110-A113 PolarHBondContact O-N 3.18Å; A110-A114 WeakPolarHBondContact O-CB 3.33Å; A110-A114 PolarHBondContact O-N 2.99Å; A110-L120 VanDerWaalsContact CA-CD2 3.5Å; A110-L120 HydrophobicContact CB-CD2 3.59Å; A110-V159 HydrophobicContact CB-CB 4.22Å; A110-V159 HydrophobicContact CB-CG1 4.13Å; A110-V159 HydrophobicContact CB-CG2 4.2Å; A110-N162 HydrophobicContact CB-CB 3.96Å; A110-N163 HydrophobicContact CB-CB 4.03Å
111	K	98.6	Very high	97.9	Very high	117 Å²	117	27.8 Å²	27.8	51%	0.509	18%	0.178	S	C	.	.	H	α-helix	trans	-60.7	-48.8	175.3	-177.1	-174.2	174.2	-170	0	111.8	G107 N108 A113 A114 A115 N162	G107-K111 PolarHBondContact O-N 3.45Å; N108-K111 WeakPolarHBondContact O-CB 3.37Å; N108-K111 PolarHBondContact O-N 3.36Å; K111-A113 VanDerWaalsContact C-N 3.35Å; K111-A114 PolarHBondContact O-N 2.85Å; K111-A115 PolarHBondContact O-N 2.8Å; K111-N162 HydrophobicContact CB-CB 4.18Å
112	E	98.6	Very high	98.2	Very high	23 Å²	23	25.5 Å²	25.5	11%	0.107	17%	0.166	C	C	.	.	H	α-helix	trans	-65.6	-38.2	177.9	-66.5	-56.4	139.6	0	0	111.8	V67 H68 I71 H72 N108 L109 A114 A115 V116	V67-E112 HydrophobicContact CG1-CG 4.27Å; H68-E112 IonicContact CE1-OE2 3.87Å; H68-E112 IonicContact CG-OE2 3.83Å; H68-E112 IonicContact ND1-OE1 3.92Å; H68-E112 IonicContact ND1-OE2 2.91Å; H68-E112 PolarHBondContact ND1-OE2 3.13Å; I71-E112 HydrophobicContact CD1-CB 3.54Å; I71-E112 HydrophobicContact CD1-CG 4.5Å; I71-E112 HydrophobicContact CG2-CB 4.44Å; H72-E112 IonicContact CD2-OE2 3.43Å; H72-E112 PolarHBondContact CD2-OE2 2.88Å; H72-E112 IonicContact NE2-OE2 2.94Å; H72-E112 PolarHBondContact NE2-OE2 2.94Å; N108-E112 PolarHBondContact O-N 3.24Å; L109-E112 PolarHBondContact O-N 3.09Å; E112-A114 PolarHBondContact O-N 3.49Å; E112-A115 WeakPolarHBondContact O-CB 3.36Å; E112-A115 PolarHBondContact O-N 3.14Å; E112-V116 PolarHBondContact O-N 3.39Å
113	A	98.6	Very high	98.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.5	-45.8	173.8	0	0	0	0	0	111.6	I79 L109 A110 K111 A115 V116 G117 A118 L120	I79-A113 HydrophobicContact CD1-CB 3.81Å; L109-A113 VanDerWaalsContact O-CB 3.29Å; L109-A113 WeakPolarHBondContact O-CB 3.31Å; L109-A113 PolarHBondContact O-N 3.42Å; A110-A113 WeakPolarHBondContact O-CB 3.32Å; A110-A113 PolarHBondContact O-N 3.18Å; K111-A113 VanDerWaalsContact C-N 3.35Å; A113-A115 VanDerWaalsContact C-N 3.32Å; A113-A115 PolarHBondContact O-N 2.81Å; A113-V116 WeakPolarHBondContact O-CG2 3.43Å; A113-V116 PolarHBondContact O-N 3.43Å; A113-G117 PolarHBondContact O-N 3.13Å; A113-G117 VanDerWaalsContact O-N 3.13Å; A113-A118 HydrophobicContact CB-CB 4.28Å; A113-A118 PolarHBondContact O-N 2.86Å; A113-L120 HydrophobicContact CB-CB 4.12Å
114	A	98.4	Very high	98.4	Very high	46 Å²	46	25.5 Å²	25.5	38%	0.38	17%	0.166	S	C	.	.	H	α-helix	trans	-62.7	-38.5	177.7	0	0	0	0	0	112	A110 K111 E112 V116 G117 N163	A110-A114 WeakPolarHBondContact O-CB 3.33Å; A110-A114 PolarHBondContact O-N 2.99Å; K111-A114 PolarHBondContact O-N 2.85Å; E112-A114 PolarHBondContact O-N 3.49Å; A114-V116 VanDerWaalsContact C-N 3.28Å; A114-V116 PolarHBondContact O-N 3.48Å; A114-G117 PolarHBondContact O-N 2.73Å; A114-G117 VanDerWaalsContact O-N 3.11Å; A114-N163 HydrophobicContact CB-CB 4.1Å
115	A	98.3	Very high	98.4	Very high	73 Å²	73	21.1 Å²	21.1	60%	0.603	14%	0.143	S	C	*	.	H	α-helix	trans	-62	-32.2	179.9	0	0	0	0	0	113.6	K111 E112 A113	K111-A115 PolarHBondContact O-N 2.8Å; E112-A115 WeakPolarHBondContact O-CB 3.36Å; E112-A115 PolarHBondContact O-N 3.14Å; A113-A115 VanDerWaalsContact C-N 3.32Å; A113-A115 PolarHBondContact O-N 2.81Å
116	V	97.9	Very high	98.4	Very high	31 Å²	31	21.3 Å²	21.3	19%	0.188	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	3.5	176.3	-56.7	0	0	0	0	113.3	I71 E112 A113 A114 A118	I71-V116 HydrophobicContact CG2-CB 4.47Å; I71-V116 HydrophobicContact CG2-CG1 3.96Å; I71-V116 HydrophobicContact CG2-CG2 3.65Å; E112-V116 PolarHBondContact O-N 3.39Å; A113-V116 WeakPolarHBondContact O-CG2 3.43Å; A113-V116 PolarHBondContact O-N 3.43Å; A114-V116 VanDerWaalsContact C-N 3.28Å; A114-V116 PolarHBondContact O-N 3.48Å; V116-A118 VanDerWaalsContact C-N 3.28Å; V116-A118 HydrophobicContact CG2-CB 3.8Å; V116-A118 PolarHBondContact O-N 3.01Å
117	G	97.3	Very high	98.4	Very high	66 Å²	66	22.8 Å²	22.8	68%	0.68	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.3	18.7	-177.4	0	0	0	0	0	114.7	A113 A114	A113-G117 PolarHBondContact O-N 3.13Å; A113-G117 VanDerWaalsContact O-N 3.13Å; A114-G117 PolarHBondContact O-N 2.73Å; A114-G117 VanDerWaalsContact O-N 3.11Å
118	A	98.2	Very high	98.4	Very high	4 Å²	4	22.5 Å²	22.5	3%	0.033	15%	0.145	C	C	.	.			trans	-73.6	139	178.9	0	0	0	0	0	111.7	P76 I79 A113 V116 L120	P76-A118 HydrophobicContact CG-CB 4.32Å; P76-A118 VanDerWaalsContact O-CB 3.31Å; P76-A118 WeakPolarHBondContact O-CB 3.29Å; I79-A118 HydrophobicContact CD1-CB 4.22Å; I79-A118 HydrophobicContact CG1-CB 4.08Å; A113-A118 HydrophobicContact CB-CB 4.28Å; A113-A118 PolarHBondContact O-N 2.86Å; V116-A118 VanDerWaalsContact C-N 3.28Å; V116-A118 HydrophobicContact CG2-CB 3.8Å; V116-A118 PolarHBondContact O-N 3.01Å; A118-L120 PolarHBondContact O-N 2.85Å
119	F	98.8	Very high	98.4	Very high	12 Å²	12	21 Å²	21	5%	0.053	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	115.1	169.6	177.2	-130.5	0	0	0	110.2	H77 V78 I79 I121 G165 A167 L223 R227	H77-F119 PolarHBondContact O-N 3.02Å; V78-F119 CarbonylContact C-O 3.6Å; V78-F119 VanDerWaalsContact CA-O 3.29Å; V78-F119 WeakPolarHBondContact CA-O 3.33Å; V78-F119 HydrophobicContact CG1-CD1 4.44Å; V78-F119 HydrophobicContact CG2-CB 4.41Å; V78-F119 HydrophobicContact CG2-CD1 4.46Å; I79-F119 PolarHBondContact N-O 2.7Å; F119-I121 HydrophobicContact CD1-CD1 4.26Å; F119-I121 HydrophobicContact CD1-CG1 3.96Å; F119-I121 HydrophobicContact CE1-CD1 3.77Å; F119-I121 HydrophobicContact CE1-CG1 3.5Å; F119-I121 HydrophobicContact CZ-CG1 3.97Å; F119-G165 WeakPolarHBondContact CD2-O 3.45Å; F119-G165 WeakPolarHBondContact CE2-O 3.43Å; F119-A167 HydrophobicContact CE2-CB 3.7Å; F119-A167 HydrophobicContact CZ-CB 3.46Å; F119-A167 VanDerWaalsContact CZ-CB 3.46Å; F119-L223 HydrophobicContact CE1-CG 4.17Å; F119-L223 HydrophobicContact CZ-CD2 4.43Å; F119-L223 HydrophobicContact CZ-CG 4.2Å; F119-R227 HydrophobicContact CB-CG 4.14Å; F119-R227 HydrophobicContact CD1-CB 3.81Å; F119-R227 HydrophobicContact CD1-CG 3.66Å; F119-R227 HydrophobicContact CD2-CG 3.73Å; F119-R227 HydrophobicContact CE1-CB 3.68Å; F119-R227 HydrophobicContact CE1-CG 3.84Å; F119-R227 HydrophobicContact CE2-CG 3.92Å; F119-R227 HydrophobicContact CG-CB 4.28Å; F119-R227 HydrophobicContact CG-CG 3.58Å; F119-R227 HydrophobicContact CZ-CB 4.04Å; F119-R227 HydrophobicContact CZ-CG 3.95Å
120	L	98.9	Very high	98.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	123.9	177.4	175.1	62	0	0	0	110.6	I79 H81 L109 A110 A113 A118 V159 A166 A167	I79-L120 HydrophobicContact CB-CD1 3.86Å; I79-L120 HydrophobicContact CG2-CD1 3.77Å; I79-L120 CarbonylContact O-C 3.56Å; I79-L120 WeakPolarHBondContact O-CA 3.35Å; H81-L120 HydrophobicContact CB-CD1 3.93Å; L109-L120 HydrophobicContact CD2-CD1 4.11Å; A110-L120 VanDerWaalsContact CA-CD2 3.5Å; A110-L120 HydrophobicContact CB-CD2 3.59Å; A113-L120 HydrophobicContact CB-CB 4.12Å; A118-L120 PolarHBondContact O-N 2.85Å; L120-V159 HydrophobicContact CD2-CG1 3.83Å; L120-V159 HydrophobicContact CD2-CG2 4.39Å; L120-A166 HydrophobicContact CB-CB 4.05Å; L120-A166 CarbonylContact O-C 3.58Å; L120-A166 WeakPolarHBondContact O-CA 3.4Å; L120-A166 WeakPolarHBondContact O-CB 3.32Å; L120-A167 PolarHBondContact O-N 3.38Å
121	I	98.9	Very high	98.2	Very high	0 Å²	0	23 Å²	23	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	107.2	166.7	-56.1	173.3	0	0	0	107.8	V78 I79 V80 H81 F119 I123 A167 L169 C220 L223 A224	V78-I121 HydrophobicContact CG1-CD1 4.3Å; I79-I121 PolarHBondContact O-N 3.3Å; V80-I121 HydrophobicContact CG1-CB 4.41Å; V80-I121 HydrophobicContact CG2-CB 4.5Å; V80-I121 HydrophobicContact CG2-CD1 4.37Å; H81-I121 PolarHBondContact N-O 3.18Å; F119-I121 HydrophobicContact CD1-CD1 4.26Å; F119-I121 HydrophobicContact CD1-CG1 3.96Å; F119-I121 HydrophobicContact CE1-CD1 3.77Å; F119-I121 HydrophobicContact CE1-CG1 3.5Å; F119-I121 HydrophobicContact CZ-CG1 3.97Å; I121-I123 HydrophobicContact CG2-CD1 4.32Å; I121-A167 CarbonylContact C-O 3.6Å; I121-A167 WeakPolarHBondContact CA-O 3.39Å; I121-L169 HydrophobicContact CG2-CB 4.23Å; I121-C220 HydrophobicContact CD1-CB 4.43Å; I121-C220 WeakPolarHBondContact CD1-O 3.06Å; I121-L223 HydrophobicContact CD1-CB 4.36Å; I121-L223 HydrophobicContact CD1-CD2 4.2Å; I121-L223 HydrophobicContact CD1-CG 4.41Å; I121-L223 HydrophobicContact CG1-CD2 4.35Å; I121-L223 HydrophobicContact CG2-CD2 4.47Å; I121-A224 HydrophobicContact CD1-CB 4.35Å
122	Y	98.9	Very high	98.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	122.8	175.5	175	-117.2	0	0	0	110.9	H81 N102 S124 K152 E156 V159 A167 V168 L169	H81-Y122 HydrophobicContact CB-CD2 4.4Å; H81-Y122 AromaticContact CD2-CD2 3.51Å; H81-Y122 AromaticContact CD2-CE2 3.79Å; N102-Y122 PolarHBondContact O-OH 2.83Å; Y122-S124 PolarHBondContact O-N 3.08Å; Y122-K152 WeakPolarHBondContact OH-CE 3.24Å; Y122-K152 PolarHBondContact OH-NZ 2.88Å; Y122-K152 PolarHBondContact OH-O 2.9Å; Y122-E156 HydrophobicContact CD1-CG 4.24Å; Y122-E156 HydrophobicContact CE1-CB 4.46Å; Y122-E156 HydrophobicContact CE1-CG 3.87Å; Y122-V159 HydrophobicContact CD1-CG2 4.32Å; Y122-V159 HydrophobicContact CD2-CG2 4.1Å; Y122-V159 HydrophobicContact CG-CG2 3.94Å; Y122-A167 PolarHBondContact N-O 2.73Å; Y122-V168 HydrophobicContact CD1-CG1 4.35Å; Y122-V168 HydrophobicContact CD1-CG2 4.26Å; Y122-L169 PolarHBondContact O-N 3Å
123	I	98.8	Very high	97.9	Very high	14 Å²	14	26.4 Å²	26.4	7%	0.072	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	116.2	176.7	-56.1	-56.9	0	0	0	109.7	L29 V80 H81 I121 K152 L169 I171	L29-I123 HydrophobicContact CD2-CB 4.39Å; L29-I123 HydrophobicContact CD2-CD1 4.16Å; L29-I123 HydrophobicContact CD2-CG1 3.87Å; L29-I123 HydrophobicContact CD2-CG2 3.78Å; V80-I123 HydrophobicContact CG1-CD1 4.31Å; V80-I123 HydrophobicContact CG1-CG1 4.42Å; H81-I123 WeakPolarHBondContact O-CB 3.45Å; H81-I123 WeakPolarHBondContact O-CG1 3.44Å; H81-I123 PolarHBondContact O-N 3.04Å; I121-I123 HydrophobicContact CG2-CD1 4.32Å; I123-K152 VanDerWaalsContact O-CE 3.31Å; I123-K152 WeakPolarHBondContact O-CE 3.35Å; I123-K152 PolarHBondContact O-NZ 3.47Å; I123-L169 HydrophobicContact CD1-CB 4.25Å; I123-L169 HydrophobicContact CD1-CD2 4.04Å; I123-I171 HydrophobicContact CG2-CD1 3.29Å; I123-I171 HydrophobicContact CG2-CG1 3.81Å
124	S	98.6	Very high	97.8	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-160.4	176	-164.5	0	0	0	0	111.8	Y122 E156 L169 I171	Y122-S124 PolarHBondContact O-N 3.08Å; S124-E156 WeakPolarHBondContact CB-OE1 3.32Å; S124-E156 WeakPolarHBondContact OG-CG 3.43Å; S124-E156 PolarHBondContact OG-OE1 2.75Å; S124-L169 PolarHBondContact N-O 2.85Å; S124-I171 VanDerWaalsContact O-CG1 3.29Å; S124-I171 WeakPolarHBondContact O-CG1 3.44Å
125	S	98.1	Very high	97.8	Very high	6 Å²	6	29.4 Å²	29.4	4%	0.042	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	150.6	-175.2	-160.3	0	0	0	0	111.9	Y127 V128 Y148 I171	S125-Y127 PolarHBondContact O-N 2.92Å; S125-Y127 PolarHBondContact OG-N 3.47Å; S125-V128 WeakPolarHBondContact O-CG1 3.26Å; S125-V128 VanDerWaalsContact O-CG2 3.3Å; S125-V128 WeakPolarHBondContact O-CG2 3.47Å; S125-V128 PolarHBondContact O-N 3.19Å; S125-Y148 WeakPolarHBondContact OG-CE1 3.46Å; S125-Y148 PolarHBondContact OG-OH 3.37Å; S125-I171 CarbonylContact C-O 3.56Å; S125-I171 VanDerWaalsContact CA-O 3.27Å; S125-I171 WeakPolarHBondContact CA-O 3.3Å
126	D	97.9	Very high	97.8	Very high	10 Å²	10	26.4 Å²	26.4	5%	0.053	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-58.5	-22.1	161.9	63.3	-23.1	0	0	0	113.9	V128 F129 I171 P172 A282 L284	D126-V128 PolarHBondContact O-N 3.27Å; D126-F129 PolarHBondContact O-N 2.95Å; D126-I171 PolarHBondContact N-O 2.87Å; D126-P172 HydrophobicContact CB-CB 4.35Å; D126-P172 VanDerWaalsContact CG-CA 3.48Å; D126-P172 WeakPolarHBondContact OD2-CA 3.45Å; D126-P172 WeakPolarHBondContact OD2-CB 3.42Å; D126-A282 HydrophobicContact CB-CB 3.96Å; D126-L284 HydrophobicContact CB-CD1 4.15Å; D126-L284 HydrophobicContact CB-CD2 4.1Å; D126-L284 HydrophobicContact CB-CG 4.15Å
127	Y	97.4	Very high	97.8	Very high	32 Å²	32	30.8 Å²	30.8	13%	0.125	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-68.5	-1.3	178.3	-83.1	32.3	0	0	0	114.1	P88 S125 F129 P144 N146 Y148 G149 Q206 R278 P279	P88-Y127 HydrophobicContact CG-CE2 4.22Å; S125-Y127 PolarHBondContact O-N 2.92Å; S125-Y127 PolarHBondContact OG-N 3.47Å; Y127-F129 PolarHBondContact O-N 3.16Å; Y127-P144 WeakPolarHBondContact O-CB 3.28Å; Y127-N146 VanDerWaalsContact CD2-ND2 3.34Å; Y127-N146 WeakPolarHBondContact CD2-ND2 3.32Å; Y127-Y148 AromaticContact CD2-CD1 3.77Å; Y127-Y148 HydrophobicContact CD2-CD1 3.77Å; Y127-Y148 HydrophobicContact CD2-CE1 4.11Å; Y127-Y148 HydrophobicContact CG-CD1 4.22Å; Y127-Y148 HydrophobicContact CG-CE1 4.21Å; Y127-G149 VanDerWaalsContact O-CA 3.3Å; Y127-G149 WeakPolarHBondContact O-CA 3.37Å; Y127-Q206 PolarHBondContact OH-NE2 3.37Å; Y127-R278 HydrophobicContact CE2-CG 4.44Å; Y127-P279 HydrophobicContact CD1-CG 3.91Å; Y127-P279 HydrophobicContact CE1-CG 3.97Å; Y127-P279 HydrophobicContact CG-CG 4.49Å
128	V	98.4	Very high	97.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-68.4	-16.2	165.4	-56.9	0	0	0	0	112	S125 D126 P142 A143 P144 K152 L153	S125-V128 WeakPolarHBondContact O-CG1 3.26Å; S125-V128 VanDerWaalsContact O-CG2 3.3Å; S125-V128 WeakPolarHBondContact O-CG2 3.47Å; S125-V128 PolarHBondContact O-N 3.19Å; D126-V128 PolarHBondContact O-N 3.27Å; V128-P142 HydrophobicContact CB-CB 4.09Å; V128-P142 HydrophobicContact CG2-CB 4.32Å; V128-P142 CarbonylContact O-C 3.55Å; V128-P142 WeakPolarHBondContact O-CA 3.24Å; V128-P142 VanDerWaalsContact O-CB 3.31Å; V128-P142 WeakPolarHBondContact O-CB 3.47Å; V128-A143 CarbonylContact O-C 3.56Å; V128-A143 PolarHBondContact O-N 2.93Å; V128-P144 WeakPolarHBondContact O-CD 3.49Å; V128-K152 HydrophobicContact CG1-CB 4.29Å; V128-L153 HydrophobicContact CB-CB 4.44Å; V128-L153 HydrophobicContact CG1-CB 4Å
129	F	98.6	Very high	97.8	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	18%	0.181	C	C	.	.	S	Bend	trans	-102.9	153.4	176.9	-59.9	-64.9	0	0	0	112.6	D126 Y127 Y136 D140 P142 H238 L284	D126-F129 PolarHBondContact O-N 2.95Å; Y127-F129 PolarHBondContact O-N 3.16Å; F129-Y136 HydrophobicContact CB-CD1 4.01Å; F129-Y136 HydrophobicContact CB-CD2 3.88Å; F129-Y136 HydrophobicContact CB-CE1 3.86Å; F129-Y136 HydrophobicContact CB-CE2 3.77Å; F129-Y136 HydrophobicContact CB-CG 4.01Å; F129-Y136 AromaticContact CD1-CD1 3.25Å; F129-Y136 HydrophobicContact CD1-CD1 3.25Å; F129-Y136 HydrophobicContact CD1-CD2 4.42Å; F129-Y136 AromaticContact CD1-CE1 3.64Å; F129-Y136 HydrophobicContact CD1-CE1 3.64Å; F129-Y136 AromaticContact CD1-CG 3.69Å; F129-Y136 HydrophobicContact CD1-CG 3.69Å; F129-Y136 HydrophobicContact CD2-CD1 4.18Å; F129-Y136 HydrophobicContact CD2-CD2 4.02Å; F129-Y136 AromaticContact CD2-CG 3.72Å; F129-Y136 HydrophobicContact CD2-CG 3.72Å; F129-Y136 AromaticContact CE1-CD1 3.59Å; F129-Y136 HydrophobicContact CE1-CD1 3.59Å; F129-Y136 HydrophobicContact CE1-CE1 4.37Å; F129-Y136 AromaticContact CE1-CG 3.97Å; F129-Y136 HydrophobicContact CE1-CG 3.97Å; F129-Y136 HydrophobicContact CE2-CD1 4.46Å; F129-Y136 AromaticContact CE2-CG 4Å; F129-Y136 HydrophobicContact CE2-CG 4Å; F129-Y136 AromaticContact CG-CD1 3.56Å; F129-Y136 HydrophobicContact CG-CD1 3.56Å; F129-Y136 AromaticContact CG-CD2 3.87Å; F129-Y136 HydrophobicContact CG-CD2 3.87Å; F129-Y136 AromaticContact CG-CE1 3.9Å; F129-Y136 HydrophobicContact CG-CE1 3.9Å; F129-Y136 HydrophobicContact CG-CE2 4.23Å; F129-Y136 AromaticContact CG-CG 3.53Å; F129-Y136 HydrophobicContact CG-CG 3.53Å; F129-Y136 HydrophobicContact CZ-CD1 4.17Å; F129-Y136 HydrophobicContact CZ-CG 4.09Å; F129-D140 HydrophobicContact CE1-CB 4.08Å; F129-P142 HydrophobicContact CE1-CG 4.39Å; F129-H238 AromaticContact CE2-CE1 3.82Å; F129-H238 AromaticContact CE2-NE2 3.86Å; F129-H238 AromaticContact CZ-CE1 3.91Å; F129-H238 AromaticContact CZ-NE2 3.99Å; F129-L284 HydrophobicContact CD2-CD2 3.86Å; F129-L284 HydrophobicContact CE2-CD2 3.62Å
130	D	97.1	Very high	97.8	Very high	36 Å²	36	36.9 Å²	36.9	19%	0.193	19%	0.193	C	C	.	.			trans	-82.1	-18.7	-179.7	60.5	-6	0	0	0	114.1	T132 Y136 A143 L145 P279	D130-T132 HydrophobicContact CB-CG2 4.28Å; D130-T132 PolarHBondContact OD1-N 3.05Å; D130-T132 PolarHBondContact OD1-OG1 3.16Å; D130-T132 WeakPolarHBondContact OD2-CB 3.44Å; D130-T132 WeakPolarHBondContact OD2-CG2 3.34Å; D130-T132 PolarHBondContact OD2-OG1 2.87Å; D130-Y136 PolarHBondContact OD1-OH 2.94Å; D130-A143 WeakPolarHBondContact CA-O 3.41Å; D130-A143 HydrophobicContact CB-CB 4.27Å; D130-A143 VanDerWaalsContact CB-O 3.27Å; D130-A143 WeakPolarHBondContact CB-O 3.39Å; D130-A143 PolarHBondContact N-O 3.44Å; D130-L145 HydrophobicContact CB-CD2 3.85Å; D130-L145 HydrophobicContact CB-CG 4.05Å; D130-L145 WeakPolarHBondContact O-CD1 3.25Å; D130-P279 VanDerWaalsContact C-CB 3.49Å; D130-P279 VanDerWaalsContact O-CA 3.31Å; D130-P279 WeakPolarHBondContact O-CA 3.37Å; D130-P279 VanDerWaalsContact O-CB 3.27Å; D130-P279 WeakPolarHBondContact O-CB 3.39Å
131	G	96.6	Very high	97.8	Very high	10 Å²	10	44.2 Å²	44.2	10%	0.103	23%	0.23	C	C	.	.	S	Bend	trans	75.2	24.4	-177.4	0	0	0	0	0	115.2	Y136 N281	G131-Y136 VanDerWaalsContact C-OH 3.31Å; G131-Y136 WeakPolarHBondContact CA-OH 3.43Å; G131-Y136 PolarHBondContact N-OH 3.42Å; G131-N281 CarbonylContact C-O 3.53Å; G131-N281 WeakPolarHBondContact CA-O 3.29Å
132	T	95.5	Very high	97.7	Very high	86 Å²	86	45.9 Å²	45.9	53%	0.528	24%	0.241	S	C	.	.	S	Bend	trans	-86.1	-31.5	175.8	59.7	0	0	0	0	113.9	D130 Y136	D130-T132 HydrophobicContact CB-CG2 4.28Å; D130-T132 PolarHBondContact OD1-N 3.05Å; D130-T132 PolarHBondContact OD1-OG1 3.16Å; D130-T132 WeakPolarHBondContact OD2-CB 3.44Å; D130-T132 WeakPolarHBondContact OD2-CG2 3.34Å; D130-T132 PolarHBondContact OD2-OG1 2.87Å; T132-Y136 PolarHBondContact N-OH 3.44Å
133	N	95.5	Very high	97.7	Very high	124 Å²	124	48 Å²	48	66%	0.663	26%	0.258	S	S	*	.	S	Bend	trans	-135	57.2	-175	-61.8	-66.7	0	0	0	113.9	Y136	N133-Y136 PolarHBondContact N-OH 3.49Å; N133-Y136 VanDerWaalsContact N-OH 3.1Å
134	P	96.4	Very high	97.6	Very high	45 Å²	45	49.1 Å²	49.1	29%	0.292	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-71.3	157.3	175.2	31.2	-36.1	0	0	0	112.9	Y136 N281 Q283	P134-Y136 HydrophobicContact CB-CD2 4.37Å; P134-Y136 HydrophobicContact CB-CE2 4.16Å; P134-N281 HydrophobicContact CG-CB 4Å; P134-Q283 HydrophobicContact CB-CB 3.87Å
135	P	97.9	Very high	97.5	Very high	65 Å²	65	52 Å²	52	42%	0.422	28%	0.282	S	S	.	.	S	Bend	cis	-78.7	142.6	-3.2	32.9	-35	0	0	0	112.4	Q283 D285	P135-Q283 CarbonylContact C-O 3.55Å; P135-Q283 WeakPolarHBondContact CA-O 3.32Å; P135-Q283 HydrophobicContact CB-CB 4.37Å; P135-Q283 HydrophobicContact CB-CG 4Å; P135-D285 HydrophobicContact CB-CB 4.37Å
136	Y	98.6	Very high	97.2	Very high	10 Å²	10	52.2 Å²	52.2	4%	0.039	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-86.7	128.5	179.8	-67.1	-86.1	0	0	0	112.2	F129 D130 G131 T132 N133 P134 D140 H238 Q283 D285	F129-Y136 HydrophobicContact CB-CD1 4.01Å; F129-Y136 HydrophobicContact CB-CD2 3.88Å; F129-Y136 HydrophobicContact CB-CE1 3.86Å; F129-Y136 HydrophobicContact CB-CE2 3.77Å; F129-Y136 HydrophobicContact CB-CG 4.01Å; F129-Y136 AromaticContact CD1-CD1 3.25Å; F129-Y136 HydrophobicContact CD1-CD1 3.25Å; F129-Y136 HydrophobicContact CD1-CD2 4.42Å; F129-Y136 AromaticContact CD1-CE1 3.64Å; F129-Y136 HydrophobicContact CD1-CE1 3.64Å; F129-Y136 AromaticContact CD1-CG 3.69Å; F129-Y136 HydrophobicContact CD1-CG 3.69Å; F129-Y136 HydrophobicContact CD2-CD1 4.18Å; F129-Y136 HydrophobicContact CD2-CD2 4.02Å; F129-Y136 AromaticContact CD2-CG 3.72Å; F129-Y136 HydrophobicContact CD2-CG 3.72Å; F129-Y136 AromaticContact CE1-CD1 3.59Å; F129-Y136 HydrophobicContact CE1-CD1 3.59Å; F129-Y136 HydrophobicContact CE1-CE1 4.37Å; F129-Y136 AromaticContact CE1-CG 3.97Å; F129-Y136 HydrophobicContact CE1-CG 3.97Å; F129-Y136 HydrophobicContact CE2-CD1 4.46Å; F129-Y136 AromaticContact CE2-CG 4Å; F129-Y136 HydrophobicContact CE2-CG 4Å; F129-Y136 AromaticContact CG-CD1 3.56Å; F129-Y136 HydrophobicContact CG-CD1 3.56Å; F129-Y136 AromaticContact CG-CD2 3.87Å; F129-Y136 HydrophobicContact CG-CD2 3.87Å; F129-Y136 AromaticContact CG-CE1 3.9Å; F129-Y136 HydrophobicContact CG-CE1 3.9Å; F129-Y136 HydrophobicContact CG-CE2 4.23Å; F129-Y136 AromaticContact CG-CG 3.53Å; F129-Y136 HydrophobicContact CG-CG 3.53Å; F129-Y136 HydrophobicContact CZ-CD1 4.17Å; F129-Y136 HydrophobicContact CZ-CG 4.09Å; D130-Y136 PolarHBondContact OD1-OH 2.94Å; G131-Y136 VanDerWaalsContact C-OH 3.31Å; G131-Y136 WeakPolarHBondContact CA-OH 3.43Å; G131-Y136 PolarHBondContact N-OH 3.42Å; T132-Y136 PolarHBondContact N-OH 3.44Å; N133-Y136 PolarHBondContact N-OH 3.49Å; N133-Y136 VanDerWaalsContact N-OH 3.1Å; P134-Y136 HydrophobicContact CB-CD2 4.37Å; P134-Y136 HydrophobicContact CB-CE2 4.16Å; Y136-D140 VanDerWaalsContact CA-OD2 3.3Å; Y136-D140 WeakPolarHBondContact CA-OD2 3.45Å; Y136-D140 HydrophobicContact CD1-CB 4.07Å; Y136-H238 PolarHBondContact O-CE1 3.09Å; Y136-H238 VanDerWaalsContact O-CE1 3.22Å; Y136-H238 PolarHBondContact O-ND1 2.84Å; Y136-Q283 WeakPolarHBondContact CD2-O 3.27Å; Y136-Q283 PolarHBondContact N-O 2.92Å; Y136-D285 WeakPolarHBondContact O-CB 3.37Å; Y136-D285 PolarHBondContact O-N 3.34Å
137	R	98.5	Very high	97.1	Very high	122 Å²	122	54.2 Å²	54.2	46%	0.46	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-88.7	163.4	171.1	-49	-175.7	103.8	127.3	11.8	110.4	E139 D140 H238 D285	R137-E139 HydrophobicContact CB-CG 4.31Å; R137-E139 WeakPolarHBondContact CB-OE2 3.25Å; R137-E139 WeakPolarHBondContact CD-OE1 3.33Å; R137-E139 IonicContact NE-OE1 2.75Å; R137-E139 PolarHBondContact O-N 3.14Å; R137-D140 PolarHBondContact N-OD2 3.14Å; R137-D140 WeakPolarHBondContact O-CB 3.44Å; R137-D140 PolarHBondContact O-N 3.36Å; R137-D140 VanDerWaalsContact O-N 3.15Å; R137-H238 PolarHBondContact O-CE1 3.39Å; R137-D285 HydrophobicContact CG-CB 4.22Å; R137-D285 IonicContact CZ-OD2 2.82Å; R137-D285 IonicContact NE-OD2 3.5Å; R137-D285 IonicContact NH2-OD2 3.98Å
138	E	98.1	Very high	96.9	Very high	19 Å²	19	54 Å²	54	9%	0.089	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-28.4	-176.9	-69.6	91	160.8	0	0	113.7	T236 H238 K288	E138-T236 HydrophobicContact CB-CG2 4.15Å; E138-T236 HydrophobicContact CG-CG2 4.08Å; E138-T236 WeakPolarHBondContact CG-O 3.27Å; E138-H238 IonicContact OE1-CG 3.28Å; E138-H238 PolarHBondContact OE1-N 3.27Å; E138-H238 VanDerWaalsContact OE1-N 3.1Å; E138-K288 HydrophobicContact CG-CD 4.23Å; E138-K288 WeakPolarHBondContact OE1-CB 3.48Å
139	E	97.3	Very high	96.9	Very high	135 Å²	135	54 Å²	54	63%	0.631	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-11.3	177.1	63.9	-88.5	-156.7	0	0	114.6	R137	R137-E139 HydrophobicContact CB-CG 4.31Å; R137-E139 WeakPolarHBondContact CB-OE2 3.25Å; R137-E139 WeakPolarHBondContact CD-OE1 3.33Å; R137-E139 IonicContact NE-OE1 2.75Å; R137-E139 PolarHBondContact O-N 3.14Å
140	D	98.3	Very high	96.8	Very high	57 Å²	57	59.2 Å²	59.2	31%	0.305	31%	0.314	S	S	.	.	S	Bend	trans	-66.4	140.7	177.6	-71.7	-33.2	0	0	0	110.9	F129 Y136 R137 P142	F129-D140 HydrophobicContact CE1-CB 4.08Å; Y136-D140 VanDerWaalsContact CA-OD2 3.3Å; Y136-D140 WeakPolarHBondContact CA-OD2 3.45Å; Y136-D140 HydrophobicContact CD1-CB 4.07Å; R137-D140 PolarHBondContact N-OD2 3.14Å; R137-D140 WeakPolarHBondContact O-CB 3.44Å; R137-D140 PolarHBondContact O-N 3.36Å; R137-D140 VanDerWaalsContact O-N 3.15Å; D140-P142 VanDerWaalsContact O-CD 3.23Å; D140-P142 WeakPolarHBondContact O-CD 3.4Å
141	I	97.7	Very high	96.8	Very high	154 Å²	154	57.8 Å²	57.8	79%	0.79	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-71.4	120.4	-175.5	-59.2	175	0	0	0	109.6
142	P	98.2	Very high	96.9	Very high	35 Å²	35	57.5 Å²	57.5	23%	0.227	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-66.6	141.1	176.5	-24.3	37.8	0	0	0	112.9	V128 F129 D140 L153	V128-P142 HydrophobicContact CB-CB 4.09Å; V128-P142 HydrophobicContact CG2-CB 4.32Å; V128-P142 CarbonylContact O-C 3.55Å; V128-P142 WeakPolarHBondContact O-CA 3.24Å; V128-P142 VanDerWaalsContact O-CB 3.31Å; V128-P142 WeakPolarHBondContact O-CB 3.47Å; F129-P142 HydrophobicContact CE1-CG 4.39Å; D140-P142 VanDerWaalsContact O-CD 3.23Å; D140-P142 WeakPolarHBondContact O-CD 3.4Å; P142-L153 HydrophobicContact CB-CD1 3.69Å; P142-L153 HydrophobicContact CB-CD2 3.77Å; P142-L153 HydrophobicContact CB-CG 4.34Å; P142-L153 HydrophobicContact CG-CD1 3.72Å
143	A	97.9	Very high	97	Very high	44 Å²	44	54.4 Å²	54.4	36%	0.364	28%	0.283	S	S	.	.			trans	-143.9	73.2	178.6	0	0	0	0	0	110.3	V128 D130	V128-A143 CarbonylContact O-C 3.56Å; V128-A143 PolarHBondContact O-N 2.93Å; D130-A143 WeakPolarHBondContact CA-O 3.41Å; D130-A143 HydrophobicContact CB-CB 4.27Å; D130-A143 VanDerWaalsContact CB-O 3.27Å; D130-A143 WeakPolarHBondContact CB-O 3.39Å; D130-A143 PolarHBondContact N-O 3.44Å
144	P	97.3	Very high	97.2	Very high	38 Å²	38	50.7 Å²	50.7	25%	0.247	26%	0.263	C	S	.	.			trans	-66.8	137.7	-172.8	25	-33	0	0	0	112.5	Y127 V128 G149 K150 L153	Y127-P144 WeakPolarHBondContact O-CB 3.28Å; V128-P144 WeakPolarHBondContact O-CD 3.49Å; P144-G149 VanDerWaalsContact CB-C 3.43Å; P144-K150 HydrophobicContact CG-CB 4.1Å; P144-L153 HydrophobicContact CG-CD2 4.12Å
145	L	95.4	Very high	97.3	Very high	64 Å²	64	48.5 Å²	48.5	34%	0.335	25%	0.249	S	C	.	.	S	Bend	trans	-86	-15.1	178.7	-63.3	-179.4	0	0	0	114.8	D130 Q277 P279	D130-L145 HydrophobicContact CB-CD2 3.85Å; D130-L145 HydrophobicContact CB-CG 4.05Å; D130-L145 WeakPolarHBondContact O-CD1 3.25Å; L145-Q277 HydrophobicContact CB-CB 3.97Å; L145-P279 HydrophobicContact CD1-CB 4.47Å
146	N	93.6	Very high	97.3	Very high	10 Å²	10	45.7 Å²	45.7	5%	0.053	23%	0.23	C	C	.	.	S	Bend	trans	-137.5	167.3	-176.7	62.3	54	0	0	0	111.5	Y127 Y148 G149 K150 A276 Q277	Y127-N146 VanDerWaalsContact CD2-ND2 3.34Å; Y127-N146 WeakPolarHBondContact CD2-ND2 3.32Å; N146-Y148 VanDerWaalsContact C-N 3.29Å; N146-Y148 PolarHBondContact O-N 3.15Å; N146-Y148 WeakPolarHBondContact OD1-CB 3.45Å; N146-Y148 PolarHBondContact OD1-N 3.21Å; N146-G149 PolarHBondContact O-N 2.86Å; N146-G149 PolarHBondContact OD1-N 2.97Å; N146-K150 PolarHBondContact O-N 2.97Å; N146-A276 HydrophobicContact CB-CB 4.21Å; N146-Q277 WeakPolarHBondContact CB-O 3.49Å; N146-Q277 PolarHBondContact ND2-O 3.46Å
147	L	94.2	Very high	97.3	Very high	52 Å²	52	49.9 Å²	49.9	27%	0.272	25%	0.248	S	C	.	.	H	α-helix	trans	-66.2	-31.9	-176	-170.2	59.8	0	0	0	112.7	V91 E92 P95 K150 T151	V91-L147 HydrophobicContact CG1-CB 3.9Å; V91-L147 HydrophobicContact CG1-CD2 3.89Å; V91-L147 HydrophobicContact CG1-CG 3.61Å; E92-L147 HydrophobicContact CG-CB 4.21Å; P95-L147 HydrophobicContact CB-CD2 3.61Å; L147-K150 HydrophobicContact CD1-CB 4.41Å; L147-K150 HydrophobicContact CD1-CD 4.14Å; L147-K150 PolarHBondContact O-N 2.85Å; L147-T151 HydrophobicContact CD1-CG2 4.43Å; L147-T151 HydrophobicContact CG-CG2 4.36Å; L147-T151 WeakPolarHBondContact O-CG2 3.36Å; L147-T151 PolarHBondContact O-N 3.03Å; L147-T151 PolarHBondContact O-OG1 3.28Å
148	Y	94.5	Very high	97.3	Very high	27 Å²	27	44.7 Å²	44.7	11%	0.106	23%	0.232	C	C	.	.	H	α-helix	trans	-60.9	-51.6	173.7	165.5	-104.3	0	0	0	111.5	E85 R86 P88 V91 S125 Y127 N146 K150 T151 K152	E85-Y148 WeakPolarHBondContact O-CD2 3.49Å; R86-Y148 HydrophobicContact CB-CE2 4.43Å; P88-Y148 HydrophobicContact CG-CD1 4.02Å; P88-Y148 HydrophobicContact CG-CG 4.13Å; V91-Y148 HydrophobicContact CG2-CD2 4.28Å; S125-Y148 WeakPolarHBondContact OG-CE1 3.46Å; S125-Y148 PolarHBondContact OG-OH 3.37Å; Y127-Y148 AromaticContact CD2-CD1 3.77Å; Y127-Y148 HydrophobicContact CD2-CD1 3.77Å; Y127-Y148 HydrophobicContact CD2-CE1 4.11Å; Y127-Y148 HydrophobicContact CG-CD1 4.22Å; Y127-Y148 HydrophobicContact CG-CE1 4.21Å; N146-Y148 VanDerWaalsContact C-N 3.29Å; N146-Y148 PolarHBondContact O-N 3.15Å; N146-Y148 WeakPolarHBondContact OD1-CB 3.45Å; N146-Y148 PolarHBondContact OD1-N 3.21Å; Y148-K150 VanDerWaalsContact C-N 3.27Å; Y148-K150 PolarHBondContact O-N 3.43Å; Y148-T151 PolarHBondContact O-N 3.27Å; Y148-T151 PolarHBondContact O-OG1 2.77Å; Y148-K152 HydrophobicContact CD2-CG 4.09Å; Y148-K152 HydrophobicContact CE1-CG 4.31Å; Y148-K152 HydrophobicContact CE2-CD 3.84Å; Y148-K152 HydrophobicContact CE2-CG 3.59Å; Y148-K152 WeakPolarHBondContact O-CG 3.48Å; Y148-K152 PolarHBondContact O-N 3.31Å
149	G	96.9	Very high	97.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-56.1	-42.1	175	0	0	0	0	0	112.3	Y127 P144 N146 K152 L153	Y127-G149 VanDerWaalsContact O-CA 3.3Å; Y127-G149 WeakPolarHBondContact O-CA 3.37Å; P144-G149 VanDerWaalsContact CB-C 3.43Å; N146-G149 PolarHBondContact O-N 2.86Å; N146-G149 PolarHBondContact OD1-N 2.97Å; G149-K152 PolarHBondContact O-N 3.08Å; G149-L153 WeakPolarHBondContact O-CB 3.37Å; G149-L153 PolarHBondContact O-N 3.07Å
150	K	97.3	Very high	97.4	Very high	110 Å²	110	39.7 Å²	39.7	48%	0.478	21%	0.21	S	C	.	.	H	α-helix	trans	-61.1	-50.4	175	-172.9	-177.5	176.3	-170.1	0	112.3	P144 N146 L147 Y148 K152 L153 D154	P144-K150 HydrophobicContact CG-CB 4.1Å; N146-K150 PolarHBondContact O-N 2.97Å; L147-K150 HydrophobicContact CD1-CB 4.41Å; L147-K150 HydrophobicContact CD1-CD 4.14Å; L147-K150 PolarHBondContact O-N 2.85Å; Y148-K150 VanDerWaalsContact C-N 3.27Å; Y148-K150 PolarHBondContact O-N 3.43Å; K150-K152 VanDerWaalsContact C-N 3.29Å; K150-K152 PolarHBondContact O-N 2.82Å; K150-L153 PolarHBondContact O-N 3.1Å; K150-D154 PolarHBondContact O-N 3.16Å
151	T	97.3	Very high	97.4	Very high	6 Å²	6	44 Å²	44	4%	0.037	23%	0.228	C	C	.	.	H	α-helix	trans	-64	-33.5	179	61.5	0	0	0	0	112.6	V91 N102 L147 Y148 G155	V91-T151 HydrophobicContact CG1-CG2 4.19Å; N102-T151 PolarHBondContact ND2-OG1 3.35Å; N102-T151 VanDerWaalsContact ND2-OG1 3.16Å; L147-T151 HydrophobicContact CD1-CG2 4.43Å; L147-T151 HydrophobicContact CG-CG2 4.36Å; L147-T151 WeakPolarHBondContact O-CG2 3.36Å; L147-T151 PolarHBondContact O-N 3.03Å; L147-T151 PolarHBondContact O-OG1 3.28Å; Y148-T151 PolarHBondContact O-N 3.27Å; Y148-T151 PolarHBondContact O-OG1 2.77Å; T151-G155 PolarHBondContact O-N 2.88Å
152	K	98	Very high	97.4	Very high	4 Å²	4	40 Å²	40	2%	0.017	21%	0.208	C	C	.	.	H	α-helix	trans	-65.9	-47	173.9	-69.3	-54	-59.4	170.9	0	111.2	Y122 I123 V128 Y148 G149 K150 G155 E156	Y122-K152 WeakPolarHBondContact OH-CE 3.24Å; Y122-K152 PolarHBondContact OH-NZ 2.88Å; Y122-K152 PolarHBondContact OH-O 2.9Å; I123-K152 VanDerWaalsContact O-CE 3.31Å; I123-K152 WeakPolarHBondContact O-CE 3.35Å; I123-K152 PolarHBondContact O-NZ 3.47Å; V128-K152 HydrophobicContact CG1-CB 4.29Å; Y148-K152 HydrophobicContact CD2-CG 4.09Å; Y148-K152 HydrophobicContact CE1-CG 4.31Å; Y148-K152 HydrophobicContact CE2-CD 3.84Å; Y148-K152 HydrophobicContact CE2-CG 3.59Å; Y148-K152 WeakPolarHBondContact O-CG 3.48Å; Y148-K152 PolarHBondContact O-N 3.31Å; G149-K152 PolarHBondContact O-N 3.08Å; K150-K152 VanDerWaalsContact C-N 3.29Å; K150-K152 PolarHBondContact O-N 2.82Å; K152-G155 PolarHBondContact O-N 2.96Å; K152-E156 WeakPolarHBondContact O-CG 3.45Å; K152-E156 PolarHBondContact O-N 3.22Å
153	L	98.5	Very high	97.4	Very high	22 Å²	22	39 Å²	39	12%	0.115	20%	0.201	C	C	.	.	H	α-helix	trans	-60.5	-43.5	175.3	179.1	61.9	0	0	0	112.3	V128 P142 P144 G149 K150 G155 E156 K157	V128-L153 HydrophobicContact CB-CB 4.44Å; V128-L153 HydrophobicContact CG1-CB 4Å; P142-L153 HydrophobicContact CB-CD1 3.69Å; P142-L153 HydrophobicContact CB-CD2 3.77Å; P142-L153 HydrophobicContact CB-CG 4.34Å; P142-L153 HydrophobicContact CG-CD1 3.72Å; P144-L153 HydrophobicContact CG-CD2 4.12Å; G149-L153 WeakPolarHBondContact O-CB 3.37Å; G149-L153 PolarHBondContact O-N 3.07Å; K150-L153 PolarHBondContact O-N 3.1Å; L153-G155 VanDerWaalsContact C-N 3.3Å; L153-G155 PolarHBondContact O-N 3.34Å; L153-E156 WeakPolarHBondContact O-CB 3.32Å; L153-E156 PolarHBondContact O-N 3.04Å; L153-E156 VanDerWaalsContact O-N 3.14Å; L153-K157 PolarHBondContact O-N 3.41Å; L153-K157 VanDerWaalsContact O-N 3.14Å
154	D	98.6	Very high	97.4	Very high	45 Å²	45	43.5 Å²	43.5	24%	0.241	22%	0.218	C	C	.	.	H	α-helix	trans	-66.6	-34.4	177.4	-67.5	-23.5	0	0	0	111.2	V103 K150 K157 A158	V103-D154 HydrophobicContact CG1-CB 4.29Å; V103-D154 HydrophobicContact CG2-CB 3.89Å; K150-D154 PolarHBondContact O-N 3.16Å; D154-K157 PolarHBondContact O-N 3.24Å; D154-K157 IonicContact OD1-NZ 2.69Å; D154-K157 PolarHBondContact OD1-NZ 3.5Å; D154-A158 WeakPolarHBondContact O-CB 3.2Å; D154-A158 PolarHBondContact O-N 2.89Å
155	G	98.6	Very high	97.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.1	-36.3	169	0	0	0	0	0	113.7	T151 K152 L153 K157 A158 V159	T151-G155 PolarHBondContact O-N 2.88Å; K152-G155 PolarHBondContact O-N 2.96Å; L153-G155 VanDerWaalsContact C-N 3.3Å; L153-G155 PolarHBondContact O-N 3.34Å; G155-K157 VanDerWaalsContact C-N 3.33Å; G155-K157 PolarHBondContact O-N 3.44Å; G155-A158 PolarHBondContact O-N 2.9Å; G155-V159 WeakPolarHBondContact O-CB 3.49Å; G155-V159 VanDerWaalsContact O-CG2 3.28Å; G155-V159 WeakPolarHBondContact O-CG2 3.39Å; G155-V159 PolarHBondContact O-N 3.41Å
156	E	98.7	Very high	97.6	Very high	6 Å²	6	39.4 Å²	39.4	3%	0.028	20%	0.198	C	C	.	.	H	α-helix	trans	-59	-46.5	172.7	-61.7	-177.9	-179.6	0	0	110.8	Y122 S124 K152 L153 V159 L160 V168 R170	Y122-E156 HydrophobicContact CD1-CG 4.24Å; Y122-E156 HydrophobicContact CE1-CB 4.46Å; Y122-E156 HydrophobicContact CE1-CG 3.87Å; S124-E156 WeakPolarHBondContact CB-OE1 3.32Å; S124-E156 WeakPolarHBondContact OG-CG 3.43Å; S124-E156 PolarHBondContact OG-OE1 2.75Å; K152-E156 WeakPolarHBondContact O-CG 3.45Å; K152-E156 PolarHBondContact O-N 3.22Å; L153-E156 WeakPolarHBondContact O-CB 3.32Å; L153-E156 PolarHBondContact O-N 3.04Å; L153-E156 VanDerWaalsContact O-N 3.14Å; E156-V159 PolarHBondContact O-N 3.22Å; E156-L160 WeakPolarHBondContact O-CG 3.46Å; E156-L160 PolarHBondContact O-N 2.87Å; E156-V168 HydrophobicContact CB-CG1 4.33Å; E156-V168 HydrophobicContact CB-CG2 4.21Å; E156-V168 HydrophobicContact CG-CG1 3.59Å; E156-V168 HydrophobicContact CG-CG2 4.32Å; E156-R170 WeakPolarHBondContact OE1-CG 3.22Å; E156-R170 IonicContact OE1-CZ 3.8Å; E156-R170 IonicContact OE1-NE 3.67Å; E156-R170 PolarHBondContact OE1-NE 3.46Å; E156-R170 IonicContact OE1-NH2 3.59Å; E156-R170 IonicContact OE2-CZ 2.72Å; E156-R170 IonicContact OE2-NE 2.75Å; E156-R170 PolarHBondContact OE2-NE 3.27Å; E156-R170 IonicContact OE2-NH2 2.71Å; E156-R170 PolarHBondContact OE2-NH2 2.85Å
157	K	98.7	Very high	97.8	Very high	97 Å²	97	38.9 Å²	38.9	42%	0.422	20%	0.195	S	C	.	.	H	α-helix	trans	-61.3	-51.5	177.7	-62.7	170.3	-166.6	155.3	0	110.9	L153 D154 G155 V159 L160 E161	L153-K157 PolarHBondContact O-N 3.41Å; L153-K157 VanDerWaalsContact O-N 3.14Å; D154-K157 PolarHBondContact O-N 3.24Å; D154-K157 IonicContact OD1-NZ 2.69Å; D154-K157 PolarHBondContact OD1-NZ 3.5Å; G155-K157 VanDerWaalsContact C-N 3.33Å; G155-K157 PolarHBondContact O-N 3.44Å; K157-V159 VanDerWaalsContact C-N 3.27Å; K157-V159 PolarHBondContact O-N 3.42Å; K157-L160 PolarHBondContact O-N 3.42Å; K157-L160 VanDerWaalsContact O-N 3.15Å; K157-E161 WeakPolarHBondContact O-CB 3.45Å; K157-E161 VanDerWaalsContact O-CG 3.25Å; K157-E161 WeakPolarHBondContact O-CG 3.5Å; K157-E161 PolarHBondContact O-N 3.41Å
158	A	98.7	Very high	98	Very high	13 Å²	13	36.4 Å²	36.4	11%	0.107	18%	0.182	C	C	.	.	H	α-helix	trans	-58.1	-39.4	-179.5	0	0	0	0	0	112.4	V103 D154 G155 N162	V103-A158 HydrophobicContact CG1-CB 4.04Å; D154-A158 WeakPolarHBondContact O-CB 3.2Å; D154-A158 PolarHBondContact O-N 2.89Å; G155-A158 PolarHBondContact O-N 2.9Å; A158-N162 PolarHBondContact O-N 3.18Å; A158-N162 PolarHBondContact O-ND2 2.95Å
159	V	98.8	Very high	98.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65.2	-50.1	175.7	166.3	0	0	0	0	111.3	A110 L120 Y122 G155 E156 K157 E161 N162 N163 A166	A110-V159 HydrophobicContact CB-CB 4.22Å; A110-V159 HydrophobicContact CB-CG1 4.13Å; A110-V159 HydrophobicContact CB-CG2 4.2Å; L120-V159 HydrophobicContact CD2-CG1 3.83Å; L120-V159 HydrophobicContact CD2-CG2 4.39Å; Y122-V159 HydrophobicContact CD1-CG2 4.32Å; Y122-V159 HydrophobicContact CD2-CG2 4.1Å; Y122-V159 HydrophobicContact CG-CG2 3.94Å; G155-V159 WeakPolarHBondContact O-CB 3.49Å; G155-V159 VanDerWaalsContact O-CG2 3.28Å; G155-V159 WeakPolarHBondContact O-CG2 3.39Å; G155-V159 PolarHBondContact O-N 3.41Å; E156-V159 PolarHBondContact O-N 3.22Å; K157-V159 VanDerWaalsContact C-N 3.27Å; K157-V159 PolarHBondContact O-N 3.42Å; V159-E161 PolarHBondContact O-N 3.48Å; V159-N162 PolarHBondContact O-N 3.26Å; V159-N163 PolarHBondContact O-N 3.38Å; V159-A166 HydrophobicContact CG1-CB 3.78Å
160	L	98.3	Very high	98.3	Very high	49 Å²	49	35.5 Å²	35.5	26%	0.257	18%	0.179	S	C	.	.	H	α-helix	trans	-70.2	-31.1	-176.2	-68	172.4	0	0	0	112.8	E156 K157 L164 V168	E156-L160 WeakPolarHBondContact O-CG 3.46Å; E156-L160 PolarHBondContact O-N 2.87Å; K157-L160 PolarHBondContact O-N 3.42Å; K157-L160 VanDerWaalsContact O-N 3.15Å; L160-L164 WeakPolarHBondContact O-CD2 3.46Å; L160-V168 HydrophobicContact CD1-CG2 4.09Å; L160-V168 HydrophobicContact CD2-CG2 4.23Å; L160-V168 HydrophobicContact CG-CG2 4.07Å
161	E	98.3	Very high	98.4	Very high	148 Å²	148	30.6 Å²	30.6	69%	0.692	16%	0.158	S	C	*	.	H	α-helix	trans	-65.4	-36.6	172.9	-75.3	170	-175.4	0	0	112.3	K157 V159	K157-E161 WeakPolarHBondContact O-CB 3.45Å; K157-E161 VanDerWaalsContact O-CG 3.25Å; K157-E161 WeakPolarHBondContact O-CG 3.5Å; K157-E161 PolarHBondContact O-N 3.41Å; V159-E161 PolarHBondContact O-N 3.48Å
162	N	98.5	Very high	98.4	Very high	69 Å²	69	30.8 Å²	30.8	37%	0.369	16%	0.159	S	C	.	.	H	α-helix	trans	-94.4	-19	-177.9	-73.7	-83.6	0	0	0	113.8	A110 K111 A158 V159	A110-N162 HydrophobicContact CB-CB 3.96Å; K111-N162 HydrophobicContact CB-CB 4.18Å; A158-N162 PolarHBondContact O-N 3.18Å; A158-N162 PolarHBondContact O-ND2 2.95Å; V159-N162 PolarHBondContact O-N 3.26Å
163	N	98.1	Very high	98.3	Very high	15 Å²	15	32.1 Å²	32.1	8%	0.08	17%	0.166	C	C	.	.			trans	-145.8	91.4	177.5	-172.2	-14.8	0	0	0	111.2	A110 A114 V159 G165 A166	A110-N163 HydrophobicContact CB-CB 4.03Å; A114-N163 HydrophobicContact CB-CB 4.1Å; V159-N163 PolarHBondContact O-N 3.38Å; N163-G165 PolarHBondContact O-N 3.32Å; N163-G165 VanDerWaalsContact O-N 3.08Å; N163-G165 WeakPolarHBondContact OD1-CA 3.15Å; N163-G165 PolarHBondContact OD1-N 2.64Å; N163-A166 HydrophobicContact CB-CB 4.05Å; N163-A166 VanDerWaalsContact O-CB 3.24Å; N163-A166 WeakPolarHBondContact O-CB 3.31Å; N163-A166 PolarHBondContact O-N 2.85Å; N163-A166 PolarHBondContact OD1-N 3.4Å
164	L	96.9	Very high	98.3	Very high	139 Å²	139	32.5 Å²	32.5	73%	0.728	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-14.2	177.9	-65.5	172.5	0	0	0	113.9	L160 K234	L160-L164 WeakPolarHBondContact O-CD2 3.46Å; L164-K234 WeakPolarHBondContact O-CD 3.38Å
165	G	97.8	Very high	98.3	Very high	15 Å²	15	30.4 Å²	30.4	16%	0.155	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-4.4	176.8	0	0	0	0	0	114.2	F119 N163	F119-G165 WeakPolarHBondContact CD2-O 3.45Å; F119-G165 WeakPolarHBondContact CE2-O 3.43Å; N163-G165 PolarHBondContact O-N 3.32Å; N163-G165 VanDerWaalsContact O-N 3.08Å; N163-G165 WeakPolarHBondContact OD1-CA 3.15Å; N163-G165 PolarHBondContact OD1-N 2.64Å
166	A	98.7	Very high	98.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.157	C	C	.	.			trans	-72.3	162.3	-177.5	0	0	0	0	0	113	L120 V159 N163 G235	L120-A166 HydrophobicContact CB-CB 4.05Å; L120-A166 CarbonylContact O-C 3.58Å; L120-A166 WeakPolarHBondContact O-CA 3.4Å; L120-A166 WeakPolarHBondContact O-CB 3.32Å; V159-A166 HydrophobicContact CG1-CB 3.78Å; N163-A166 HydrophobicContact CB-CB 4.05Å; N163-A166 VanDerWaalsContact O-CB 3.24Å; N163-A166 WeakPolarHBondContact O-CB 3.31Å; N163-A166 PolarHBondContact O-N 2.85Å; N163-A166 PolarHBondContact OD1-N 3.4Å; A166-G235 PolarHBondContact O-N 3.31Å
167	A	98.8	Very high	98.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	140	168.2	0	0	0	0	0	111.1	F119 L120 I121 Y122 L223 G235 F237	F119-A167 HydrophobicContact CE2-CB 3.7Å; F119-A167 HydrophobicContact CZ-CB 3.46Å; F119-A167 VanDerWaalsContact CZ-CB 3.46Å; L120-A167 PolarHBondContact O-N 3.38Å; I121-A167 CarbonylContact C-O 3.6Å; I121-A167 WeakPolarHBondContact CA-O 3.39Å; Y122-A167 PolarHBondContact N-O 2.73Å; A167-L223 HydrophobicContact CB-CD2 3.93Å; A167-G235 CarbonylContact C-O 3.54Å; A167-G235 WeakPolarHBondContact CA-O 3.18Å; A167-F237 HydrophobicContact CB-CD2 4.02Å; A167-F237 HydrophobicContact CB-CE2 3.99Å
168	V	98.9	Very high	98	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	120.4	169.3	172.3	0	0	0	0	107.5	Y122 E156 L160 R170 G235 T236 F237	Y122-V168 HydrophobicContact CD1-CG1 4.35Å; Y122-V168 HydrophobicContact CD1-CG2 4.26Å; E156-V168 HydrophobicContact CB-CG1 4.33Å; E156-V168 HydrophobicContact CB-CG2 4.21Å; E156-V168 HydrophobicContact CG-CG1 3.59Å; E156-V168 HydrophobicContact CG-CG2 4.32Å; L160-V168 HydrophobicContact CD1-CG2 4.09Å; L160-V168 HydrophobicContact CD2-CG2 4.23Å; L160-V168 HydrophobicContact CG-CG2 4.07Å; V168-R170 HydrophobicContact CG1-CG 4.33Å; V168-G235 PolarHBondContact N-O 3.26Å; V168-T236 HydrophobicContact CB-CG2 4.47Å; V168-T236 HydrophobicContact CG1-CG2 4.34Å; V168-T236 CarbonylContact O-C 3.58Å; V168-T236 WeakPolarHBondContact O-CA 3.37Å; V168-F237 PolarHBondContact O-N 2.91Å
169	L	98.9	Very high	97.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	103.1	176.9	-175.9	63.4	0	0	0	109.5	I121 Y122 I123 S124 I171 V216 V219 F237 W239 L289	I121-L169 HydrophobicContact CG2-CB 4.23Å; Y122-L169 PolarHBondContact O-N 3Å; I123-L169 HydrophobicContact CD1-CB 4.25Å; I123-L169 HydrophobicContact CD1-CD2 4.04Å; S124-L169 PolarHBondContact N-O 2.85Å; L169-I171 HydrophobicContact CD2-CG2 4.32Å; L169-I171 HydrophobicContact CG-CG2 3.99Å; L169-V216 HydrophobicContact CD2-CG1 4.18Å; L169-V219 HydrophobicContact CD1-CG1 4.2Å; L169-V219 HydrophobicContact CD2-CG1 4Å; L169-F237 WeakPolarHBondContact CA-O 3.47Å; L169-F237 HydrophobicContact CD1-CB 4.06Å; L169-W239 HydrophobicContact CD1-CB 4.04Å; L169-L289 HydrophobicContact CD1-CD1 3.95Å
170	R	98.9	Very high	97.5	Very high	8 Å²	8	42.3 Å²	42.3	3%	0.03	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	131	174.2	-65.5	163.3	178.9	168	-0.6	109.4	E156 V168 F237 H238 W239 L284	E156-R170 WeakPolarHBondContact OE1-CG 3.22Å; E156-R170 IonicContact OE1-CZ 3.8Å; E156-R170 IonicContact OE1-NE 3.67Å; E156-R170 PolarHBondContact OE1-NE 3.46Å; E156-R170 IonicContact OE1-NH2 3.59Å; E156-R170 IonicContact OE2-CZ 2.72Å; E156-R170 IonicContact OE2-NE 2.75Å; E156-R170 PolarHBondContact OE2-NE 3.27Å; E156-R170 IonicContact OE2-NH2 2.71Å; E156-R170 PolarHBondContact OE2-NH2 2.85Å; V168-R170 HydrophobicContact CG1-CG 4.33Å; R170-F237 PolarHBondContact N-O 2.94Å; R170-H238 VanDerWaalsContact CD-NE2 3.25Å; R170-H238 WeakPolarHBondContact CD-NE2 3.41Å; R170-H238 PolarHBondContact NH1-NE2 2.85Å; R170-W239 PolarHBondContact O-N 3.38Å; R170-L284 HydrophobicContact CB-CD1 4.2Å; R170-L284 WeakPolarHBondContact O-CD1 3.15Å
171	I	98.6	Very high	97.4	Very high	7 Å²	7	40.5 Å²	40.5	4%	0.036	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	155.6	-177.1	56.1	170.2	0	0	0	110.3	L29 I123 S124 S125 D126 L169 L174 V216	L29-I171 HydrophobicContact CD2-CD1 3.93Å; I123-I171 HydrophobicContact CG2-CD1 3.29Å; I123-I171 HydrophobicContact CG2-CG1 3.81Å; S124-I171 VanDerWaalsContact O-CG1 3.29Å; S124-I171 WeakPolarHBondContact O-CG1 3.44Å; S125-I171 CarbonylContact C-O 3.56Å; S125-I171 VanDerWaalsContact CA-O 3.27Å; S125-I171 WeakPolarHBondContact CA-O 3.3Å; D126-I171 PolarHBondContact N-O 2.87Å; L169-I171 HydrophobicContact CD2-CG2 4.32Å; L169-I171 HydrophobicContact CG-CG2 3.99Å; I171-L174 HydrophobicContact CD1-CD1 3.73Å; I171-L174 HydrophobicContact CD1-CD2 4.04Å; I171-L174 HydrophobicContact CD1-CG 4.07Å; I171-V216 HydrophobicContact CD1-CG1 4.36Å; I171-V216 HydrophobicContact CG2-CG1 4.09Å; I171-V216 HydrophobicContact CG2-CG2 4.31Å
172	P	97.1	Very high	97.2	Very high	9 Å²	9	39 Å²	39	6%	0.058	19%	0.194	C	C	.	.			trans	-91.2	-158.8	178.5	40.6	-39.9	0	0	0	111.5	D126 L174 F209 T211 W239	D126-P172 HydrophobicContact CB-CB 4.35Å; D126-P172 VanDerWaalsContact CG-CA 3.48Å; D126-P172 WeakPolarHBondContact OD2-CA 3.45Å; D126-P172 WeakPolarHBondContact OD2-CB 3.42Å; P172-L174 PolarHBondContact O-N 3.48Å; P172-F209 HydrophobicContact CG-CB 4.37Å; P172-F209 WeakPolarHBondContact CG-O 3.29Å; P172-T211 WeakPolarHBondContact CG-OG1 3.41Å; P172-W239 VanDerWaalsContact CD-O 3.25Å; P172-W239 WeakPolarHBondContact CD-O 3.45Å
173	I	96.6	Very high	97	Very high	32 Å²	32	36.6 Å²	36.6	16%	0.164	18%	0.18	C	C	.	.			trans	-54.9	128.9	171.5	-177.8	168.8	0	0	0	112.1	A185 V186 R208 T211	I173-A185 HydrophobicContact CD1-CB 3.67Å; I173-A185 HydrophobicContact CG1-CB 4.41Å; I173-V186 HydrophobicContact CD1-CG2 3.68Å; I173-V186 HydrophobicContact CG1-CG2 3.85Å; I173-R208 HydrophobicContact CG2-CB 3.91Å; I173-R208 HydrophobicContact CG2-CG 4.45Å; I173-T211 PolarHBondContact O-N 3.27Å
174	L	98	Very high	96.9	Very high	30 Å²	30	36 Å²	36	16%	0.157	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	150.2	-178	-64.9	-176.4	0	0	0	113.9	L28 L29 I171 P172 S184 T211 V213 V216	L28-L174 HydrophobicContact CD2-CB 4.39Å; L29-L174 HydrophobicContact CB-CD1 3.87Å; L29-L174 HydrophobicContact CD1-CD1 4.28Å; L29-L174 HydrophobicContact CD2-CD1 4.06Å; L29-L174 HydrophobicContact CG-CD1 4.29Å; I171-L174 HydrophobicContact CD1-CD1 3.73Å; I171-L174 HydrophobicContact CD1-CD2 4.04Å; I171-L174 HydrophobicContact CD1-CG 4.07Å; P172-L174 PolarHBondContact O-N 3.48Å; L174-S184 WeakPolarHBondContact O-CB 3.34Å; L174-S184 PolarHBondContact O-OG 3.19Å; L174-T211 WeakPolarHBondContact CA-O 3.4Å; L174-T211 HydrophobicContact CD2-CG2 4.32Å; L174-T211 WeakPolarHBondContact CD2-O 3.36Å; L174-V213 HydrophobicContact CB-CG1 3.96Å; L174-V213 HydrophobicContact CD1-CG1 4.04Å; L174-V213 HydrophobicContact CD2-CG1 4.5Å; L174-V213 HydrophobicContact CG-CG1 4.42Å; L174-V216 HydrophobicContact CD2-CG2 3.83Å
175	Y	98.4	Very high	96.7	Very high	1 Å²	1	31 Å²	31	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	165	168.6	76.7	-77.1	0	0	0	111.2	V186 P210 T211 H212 V213 F300 I304	Y175-V186 HydrophobicContact CG-CG1 4.39Å; Y175-P210 HydrophobicContact CD1-CB 3.87Å; Y175-P210 HydrophobicContact CE1-CB 3.92Å; Y175-T211 WeakPolarHBondContact CD1-O 3.33Å; Y175-T211 VanDerWaalsContact CE1-C 3.49Å; Y175-T211 PolarHBondContact N-O 2.98Å; Y175-H212 AromaticContact CD2-CD2 3.98Å; Y175-H212 HydrophobicContact CE1-CB 4.05Å; Y175-H212 HydrophobicContact CE2-CB 4.47Å; Y175-H212 AromaticContact CE2-CD2 3.51Å; Y175-H212 AromaticContact CZ-CD2 3.78Å; Y175-H212 CarbonylContact O-C 3.35Å; Y175-H212 WeakPolarHBondContact O-CA 3.36Å; Y175-V213 WeakPolarHBondContact O-CG1 3.14Å; Y175-V213 PolarHBondContact O-N 2.82Å; Y175-F300 HydrophobicContact CD1-CE2 4.44Å; Y175-F300 AromaticContact CE1-CD2 3.9Å; Y175-F300 HydrophobicContact CE1-CD2 3.9Å; Y175-F300 HydrophobicContact CE1-CE2 4.28Å; Y175-F300 HydrophobicContact CE2-CD2 4.18Å; Y175-F300 HydrophobicContact CE2-CE2 4.33Å; Y175-F300 AromaticContact CZ-CD2 3.74Å; Y175-F300 WeakPolarHBondContact OH-CA 3.43Å; Y175-I304 HydrophobicContact CD2-CB 4.35Å; Y175-I304 HydrophobicContact CD2-CD1 3.61Å; Y175-I304 HydrophobicContact CE2-CB 4.05Å; Y175-I304 HydrophobicContact CE2-CD1 4.2Å; Y175-I304 HydrophobicContact CG-CD1 4.38Å
176	G	97.6	Very high	96.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	156.8	-157.5	-178.8	0	0	0	0	0	113.1	V178 S307	G176-V178 WeakPolarHBondContact O-CG1 3.44Å; G176-V178 PolarHBondContact O-N 3.2Å; G176-V178 VanDerWaalsContact O-N 3.16Å; G176-S307 WeakPolarHBondContact CA-OG 3.3Å; G176-S307 VanDerWaalsContact O-CB 3.27Å; G176-S307 WeakPolarHBondContact O-CB 3.16Å; G176-S307 PolarHBondContact O-OG 2.83Å
177	E	96.3	Very high	96.6	Very high	119 Å²	119	30.3 Å²	30.3	56%	0.556	15%	0.149	S	C	*	.			trans	-59.7	113.3	176.3	-169.6	-179.9	166.9	0	0	111.4	L28 R31 K35	L28-E177 VanDerWaalsContact CD1-O 3.25Å; L28-E177 WeakPolarHBondContact CD1-O 3.32Å; R31-E177 PolarHBondContact NH2-O 3.43Å; K35-E177 IonicContact NZ-OE2 3.87Å; K35-E177 PolarHBondContact NZ-OE2 2.98Å
178	V	95.8	Very high	96.4	Very high	13 Å²	13	33.2 Å²	33.2	8%	0.079	17%	0.167	C	C	.	.			trans	-117	147.9	-177.2	-71.3	0	0	0	0	111.7	L28 G176 K180 E183 T187 F311	L28-V178 HydrophobicContact CD1-CG1 3.82Å; G176-V178 WeakPolarHBondContact O-CG1 3.44Å; G176-V178 PolarHBondContact O-N 3.2Å; G176-V178 VanDerWaalsContact O-N 3.16Å; V178-K180 WeakPolarHBondContact CB-O 3.43Å; V178-E183 HydrophobicContact CB-CB 4.24Å; V178-E183 HydrophobicContact CG1-CB 3.84Å; V178-T187 HydrophobicContact CG1-CG2 4.03Å; V178-T187 HydrophobicContact CG2-CG2 4.1Å; V178-F311 HydrophobicContact CG2-CE2 3.73Å; V178-F311 HydrophobicContact CG2-CZ 3.93Å; V178-F311 WeakPolarHBondContact O-CZ 3.49Å
179	E	93.7	Very high	96.3	Very high	105 Å²	105	33.6 Å²	33.6	49%	0.491	17%	0.169	S	C	.	.	S	Bend	trans	-81	-30.4	169.4	-63.5	-177.8	152.6	0	0	111.4	R31 R51 E183	R31-E179 IonicContact NH1-OE2 3.93Å; R51-E179 IonicContact NH1-OE2 2.98Å; R51-E179 PolarHBondContact NH1-OE2 3.13Å; E179-E183 PolarHBondContact N-OE2 3.45Å
180	K	94.5	Very high	96.1	Very high	130 Å²	130	33.6 Å²	33.6	57%	0.565	17%	0.169	S	C	*	.	S	Bend	trans	-143.2	147.3	177.1	-52.2	-178.8	177.6	-179.3	0	109.6	V178 E182 E183	V178-K180 WeakPolarHBondContact CB-O 3.43Å; K180-E182 WeakPolarHBondContact CB-OE2 3.48Å; K180-E182 PolarHBondContact O-N 2.82Å; K180-E182 VanDerWaalsContact O-N 3.1Å; K180-E183 WeakPolarHBondContact O-CB 3.34Å; K180-E183 PolarHBondContact O-N 2.82Å; K180-E183 VanDerWaalsContact O-N 3.07Å
181	L	95.5	Very high	95.8	Very high	11 Å²	11	36.5 Å²	36.5	6%	0.058	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-60	-27.1	-175.4	-65.1	178	0	0	0	113	E183 T187 V188 F190 D191 L308 F311	L181-E183 PolarHBondContact O-N 2.52Å; L181-T187 CarbonylContact O-C 3.54Å; L181-T187 PolarHBondContact O-OG1 2.83Å; L181-V188 WeakPolarHBondContact O-CA 3.45Å; L181-V188 WeakPolarHBondContact O-CB 3.12Å; L181-V188 PolarHBondContact O-N 3.38Å; L181-F190 HydrophobicContact CD1-CB 4.23Å; L181-F190 HydrophobicContact CD1-CD1 4.41Å; L181-F190 HydrophobicContact CD2-CB 4.22Å; L181-F190 HydrophobicContact CD2-CD1 4.24Å; L181-D191 WeakPolarHBondContact CD1-OD1 3.48Å; L181-L308 HydrophobicContact CD2-CD2 3.51Å; L181-F311 HydrophobicContact CD1-CD1 4.42Å; L181-F311 HydrophobicContact CD2-CB 4.09Å; L181-F311 HydrophobicContact CD2-CD1 3.83Å; L181-F311 HydrophobicContact CD2-CD2 3.92Å; L181-F311 HydrophobicContact CD2-CE1 4.24Å; L181-F311 HydrophobicContact CD2-CE2 4.31Å; L181-F311 HydrophobicContact CD2-CG 3.67Å; L181-F311 HydrophobicContact CD2-CZ 4.46Å; L181-F311 HydrophobicContact CG-CD1 3.87Å; L181-F311 HydrophobicContact CG-CE1 4.21Å; L181-F311 HydrophobicContact CG-CG 4.2Å
182	E	94.4	Very high	95.6	Very high	116 Å²	116	41.3 Å²	41.3	54%	0.542	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-74.5	-7.6	-178.9	-49.4	75.1	-158.6	0	0	113.6	R86 K180 S184 V188	R86-E182 PolarHBondContact NH2-O 2.84Å; K180-E182 WeakPolarHBondContact CB-OE2 3.48Å; K180-E182 PolarHBondContact O-N 2.82Å; K180-E182 VanDerWaalsContact O-N 3.1Å; E182-S184 PolarHBondContact O-N 3.21Å; E182-V188 HydrophobicContact CG-CG2 4.24Å
183	E	93.6	Very high	95.5	Very high	18 Å²	18	40.9 Å²	40.9	8%	0.084	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-69	-18.8	178.3	-69.1	-165.3	145.1	0	0	113.2	R31 R51 R86 V178 E179 K180 L181	R31-E183 IonicContact CZ-OE2 2.87Å; R31-E183 IonicContact NH1-OE1 3.85Å; R31-E183 PolarHBondContact NH1-OE1 3.25Å; R31-E183 VanDerWaalsContact NH1-OE1 3.15Å; R31-E183 IonicContact NH1-OE2 3.18Å; R31-E183 PolarHBondContact NH1-OE2 2.9Å; R31-E183 IonicContact NH2-OE1 3Å; R31-E183 IonicContact NH2-OE2 3.95Å; R31-E183 PolarHBondContact NH2-OE2 2.78Å; R51-E183 IonicContact CZ-OE1 3.89Å; R51-E183 IonicContact NH1-OE1 3.77Å; R51-E183 PolarHBondContact NH1-OE1 2.91Å; R51-E183 IonicContact NH2-OE1 2.99Å; R86-E183 PolarHBondContact NH2-O 3.44Å; V178-E183 HydrophobicContact CB-CB 4.24Å; V178-E183 HydrophobicContact CG1-CB 3.84Å; E179-E183 PolarHBondContact N-OE2 3.45Å; K180-E183 WeakPolarHBondContact O-CB 3.34Å; K180-E183 PolarHBondContact O-N 2.82Å; K180-E183 VanDerWaalsContact O-N 3.07Å; L181-E183 PolarHBondContact O-N 2.52Å
184	S	95.5	Very high	95.2	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.021	20%	0.201	C	C	.	.	S	Bend	trans	-132.1	143	171.3	160.9	0	0	0	0	112	L174 E182 V186 T187 V188	L174-S184 WeakPolarHBondContact O-CB 3.34Å; L174-S184 PolarHBondContact O-OG 3.19Å; E182-S184 PolarHBondContact O-N 3.21Å; S184-V186 PolarHBondContact O-N 2.82Å; S184-V186 WeakPolarHBondContact OG-CB 3.12Å; S184-V186 PolarHBondContact OG-N 3.33Å; S184-T187 VanDerWaalsContact CB-OG1 3.28Å; S184-T187 WeakPolarHBondContact CB-OG1 3.27Å; S184-T187 PolarHBondContact N-OG1 2.98Å; S184-T187 PolarHBondContact O-N 3.29Å; S184-T187 PolarHBondContact O-OG1 3.21Å; S184-T187 PolarHBondContact OG-N 2.94Å; S184-V188 WeakPolarHBondContact O-CB 3.39Å; S184-V188 WeakPolarHBondContact O-CG1 3.25Å; S184-V188 PolarHBondContact O-N 3.39Å
185	A	93.3	Very high	94.8	Very high	35 Å²	35	44.1 Å²	44.1	29%	0.289	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-9.8	173.3	0	0	0	0	0	113.3	I173	I173-A185 HydrophobicContact CD1-CB 3.67Å; I173-A185 HydrophobicContact CG1-CB 4.41Å
186	V	96.9	Very high	94.2	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-52.8	170.8	-175.4	0	0	0	0	110.1	I173 Y175 S184 V188 M189 P210 M250 I254 F300 I304	I173-V186 HydrophobicContact CD1-CG2 3.68Å; I173-V186 HydrophobicContact CG1-CG2 3.85Å; Y175-V186 HydrophobicContact CG-CG1 4.39Å; S184-V186 PolarHBondContact O-N 2.82Å; S184-V186 WeakPolarHBondContact OG-CB 3.12Å; S184-V186 PolarHBondContact OG-N 3.33Å; V186-V188 VanDerWaalsContact C-N 3.28Å; V186-V188 PolarHBondContact O-N 3.36Å; V186-M189 HydrophobicContact CB-CE 4.45Å; V186-M189 HydrophobicContact CG1-CE 4.02Å; V186-M189 WeakPolarHBondContact O-CB 3.39Å; V186-M189 WeakPolarHBondContact O-CE 3.25Å; V186-M189 WeakPolarHBondContact O-CG 3.34Å; V186-M189 PolarHBondContact O-N 3.29Å; V186-M189 VanDerWaalsContact O-N 3.11Å; V186-P210 HydrophobicContact CG2-CB 4.5Å; V186-M250 HydrophobicContact CG1-SD 4.32Å; V186-M250 HydrophobicContact CG2-SD 4.02Å; V186-I254 HydrophobicContact CG1-CD1 4.43Å; V186-F300 HydrophobicContact CG1-CE2 3.85Å; V186-F300 HydrophobicContact CG1-CZ 3.93Å; V186-I304 HydrophobicContact CG1-CD1 3.85Å
187	T	96.8	Very high	93.7	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-66	-30.1	-175.5	54.7	0	0	0	0	112.7	V178 L181 S184 M189 F190 I304 L308	V178-T187 HydrophobicContact CG1-CG2 4.03Å; V178-T187 HydrophobicContact CG2-CG2 4.1Å; L181-T187 CarbonylContact O-C 3.54Å; L181-T187 PolarHBondContact O-OG1 2.83Å; S184-T187 VanDerWaalsContact CB-OG1 3.28Å; S184-T187 WeakPolarHBondContact CB-OG1 3.27Å; S184-T187 PolarHBondContact N-OG1 2.98Å; S184-T187 PolarHBondContact O-N 3.29Å; S184-T187 PolarHBondContact O-OG1 3.21Å; S184-T187 PolarHBondContact OG-N 2.94Å; T187-M189 PolarHBondContact O-N 2.92Å; T187-M189 VanDerWaalsContact O-N 3.08Å; T187-F190 VanDerWaalsContact O-CB 3.25Å; T187-F190 WeakPolarHBondContact O-CB 3.37Å; T187-F190 PolarHBondContact O-N 2.98Å; T187-I304 HydrophobicContact CG2-CD1 4.35Å; T187-L308 HydrophobicContact CG2-CD2 3.88Å
188	V	95.6	Very high	93.2	Very high	61 Å²	61	55 Å²	55	37%	0.37	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-62.5	-17.2	177	75	0	0	0	0	112.9	L181 E182 S184 V186 F190	L181-V188 WeakPolarHBondContact O-CA 3.45Å; L181-V188 WeakPolarHBondContact O-CB 3.12Å; L181-V188 PolarHBondContact O-N 3.38Å; E182-V188 HydrophobicContact CG-CG2 4.24Å; S184-V188 WeakPolarHBondContact O-CB 3.39Å; S184-V188 WeakPolarHBondContact O-CG1 3.25Å; S184-V188 PolarHBondContact O-N 3.39Å; V186-V188 VanDerWaalsContact C-N 3.28Å; V186-V188 PolarHBondContact O-N 3.36Å; V188-F190 PolarHBondContact O-N 2.75Å
189	M	95.6	Very high	93.1	Very high	7 Å²	7	58.6 Å²	58.6	3%	0.034	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-73.9	-15.5	175.4	-56.7	-173	-60.7	0	0	112.3	V186 T187 D191 K192 V193 M202 K247 M250 I254	V186-M189 HydrophobicContact CB-CE 4.45Å; V186-M189 HydrophobicContact CG1-CE 4.02Å; V186-M189 WeakPolarHBondContact O-CB 3.39Å; V186-M189 WeakPolarHBondContact O-CE 3.25Å; V186-M189 WeakPolarHBondContact O-CG 3.34Å; V186-M189 PolarHBondContact O-N 3.29Å; V186-M189 VanDerWaalsContact O-N 3.11Å; T187-M189 PolarHBondContact O-N 2.92Å; T187-M189 VanDerWaalsContact O-N 3.08Å; M189-D191 PolarHBondContact O-N 3.36Å; M189-K192 WeakPolarHBondContact O-CB 3.41Å; M189-K192 PolarHBondContact O-N 3.03Å; M189-K192 VanDerWaalsContact O-N 3.14Å; M189-V193 WeakPolarHBondContact O-CG2 3.28Å; M189-V193 PolarHBondContact O-N 2.9Å; M189-V193 VanDerWaalsContact O-N 3.09Å; M189-M202 HydrophobicContact CB-CE 4.24Å; M189-M202 HydrophobicContact SD-SD 4.48Å; M189-K247 HydrophobicContact SD-CB 3.73Å; M189-K247 HydrophobicContact SD-CD 4.15Å; M189-K247 HydrophobicContact SD-CG 3.78Å; M189-M250 HydrophobicContact CE-CB 3.47Å; M189-M250 VanDerWaalsContact CE-CB 3.47Å; M189-M250 HydrophobicContact CE-CG 4.4Å; M189-M250 HydrophobicContact CE-SD 4.09Å; M189-I254 HydrophobicContact CE-CD1 4.08Å
190	F	95.6	Very high	93.2	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64.2	-39.5	-168.3	-169.1	-140.1	0	0	0	113.7	L181 T187 V188 K192 V193 Q194 I254 F258 L260 L308 F311 L312	L181-F190 HydrophobicContact CD1-CB 4.23Å; L181-F190 HydrophobicContact CD1-CD1 4.41Å; L181-F190 HydrophobicContact CD2-CB 4.22Å; L181-F190 HydrophobicContact CD2-CD1 4.24Å; T187-F190 VanDerWaalsContact O-CB 3.25Å; T187-F190 WeakPolarHBondContact O-CB 3.37Å; T187-F190 PolarHBondContact O-N 2.98Å; V188-F190 PolarHBondContact O-N 2.75Å; F190-K192 VanDerWaalsContact C-N 3.31Å; F190-K192 PolarHBondContact O-N 3.44Å; F190-V193 CarbonylContact O-C 3.58Å; F190-V193 WeakPolarHBondContact O-CA 3.26Å; F190-V193 WeakPolarHBondContact O-CB 3.39Å; F190-V193 PolarHBondContact O-N 3.24Å; F190-Q194 HydrophobicContact CD1-CG 4.32Å; F190-Q194 HydrophobicContact CD2-CG 3.9Å; F190-Q194 HydrophobicContact CE1-CG 4.05Å; F190-Q194 HydrophobicContact CE2-CG 3.61Å; F190-Q194 HydrophobicContact CG-CG 4.26Å; F190-Q194 VanDerWaalsContact CZ-CD 3.41Å; F190-Q194 HydrophobicContact CZ-CG 3.69Å; F190-Q194 WeakPolarHBondContact O-CG 3.47Å; F190-Q194 PolarHBondContact O-N 3.24Å; F190-I254 HydrophobicContact CD2-CG2 3.58Å; F190-I254 HydrophobicContact CE2-CG2 3.92Å; F190-F258 AromaticContact CE2-CD2 3.7Å; F190-F258 HydrophobicContact CE2-CD2 3.7Å; F190-F258 AromaticContact CE2-CE2 3.81Å; F190-F258 HydrophobicContact CE2-CE2 3.81Å; F190-F258 HydrophobicContact CE2-CG 4.37Å; F190-F258 HydrophobicContact CZ-CD2 4.12Å; F190-F258 HydrophobicContact CZ-CE2 4.01Å; F190-F258 HydrophobicContact CZ-CZ 4.28Å; F190-L260 HydrophobicContact CE2-CD1 4.4Å; F190-L308 HydrophobicContact CB-CD1 3.87Å; F190-L308 HydrophobicContact CB-CD2 3.95Å; F190-L308 HydrophobicContact CD1-CB 3.98Å; F190-L308 HydrophobicContact CD1-CD1 4.2Å; F190-L308 HydrophobicContact CD1-CD2 3.88Å; F190-L308 HydrophobicContact CD1-CG 4.25Å; F190-L308 HydrophobicContact CD2-CB 4.44Å; F190-L308 HydrophobicContact CD2-CD1 3.65Å; F190-L308 HydrophobicContact CE1-CB 3.84Å; F190-L308 WeakPolarHBondContact CE1-O 3.14Å; F190-L308 HydrophobicContact CE2-CB 4.31Å; F190-L308 HydrophobicContact CE2-CD1 4.17Å; F190-L308 HydrophobicContact CG-CB 4.28Å; F190-L308 HydrophobicContact CG-CD1 3.66Å; F190-L308 HydrophobicContact CG-CD2 3.98Å; F190-L308 HydrophobicContact CG-CG 4.2Å; F190-L308 HydrophobicContact CZ-CB 4.02Å; F190-F311 HydrophobicContact CD1-CB 3.9Å; F190-F311 HydrophobicContact CE1-CB 3.83Å; F190-L312 HydrophobicContact CZ-CD1 3.78Å; F190-L312 HydrophobicContact CZ-CG 4.25Å
191	D	93.3	Very high	93.2	Very high	70 Å²	70	52.4 Å²	52.4	37%	0.374	28%	0.278	S	S	.	.	H	α-helix	trans	-59.8	-44.1	175.5	-76.5	-12.3	0	0	0	111.3	L181 M189 V193 Q194 F195	L181-D191 WeakPolarHBondContact CD1-OD1 3.48Å; M189-D191 PolarHBondContact O-N 3.36Å; D191-V193 PolarHBondContact O-N 2.85Å; D191-Q194 PolarHBondContact O-N 3.33Å; D191-F195 HydrophobicContact CB-CD2 4.18Å; D191-F195 HydrophobicContact CB-CE2 4.28Å; D191-F195 WeakPolarHBondContact O-CB 3.37Å; D191-F195 WeakPolarHBondContact O-CD2 3.35Å; D191-F195 PolarHBondContact O-N 3.17Å
192	K	93.3	Very high	93.2	Very high	108 Å²	108	52.2 Å²	52.2	47%	0.47	28%	0.277	S	S	.	.	H	α-helix	trans	-63.5	-28.1	176.1	-67.8	-179.4	175.7	-175.6	0	112.2	M189 F190 A200 M202 H264	M189-K192 WeakPolarHBondContact O-CB 3.41Å; M189-K192 PolarHBondContact O-N 3.03Å; M189-K192 VanDerWaalsContact O-N 3.14Å; F190-K192 VanDerWaalsContact C-N 3.31Å; F190-K192 PolarHBondContact O-N 3.44Å; K192-A200 HydrophobicContact CB-CB 3.91Å; K192-A200 HydrophobicContact CD-CB 4.31Å; K192-A200 HydrophobicContact CG-CB 4.31Å; K192-M202 HydrophobicContact CB-CE 3.46Å; K192-M202 VanDerWaalsContact CB-CE 3.46Å; K192-M202 HydrophobicContact CD-CE 3.53Å; K192-M202 HydrophobicContact CD-SD 4.11Å; K192-M202 HydrophobicContact CG-CE 4.16Å; K192-H264 PolarHBondContact O-CD2 2.84Å; K192-H264 PolarHBondContact O-NE2 3.06Å
193	V	94.5	Very high	93.2	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-76.7	-45.6	174.8	174.9	0	0	0	0	111.2	M189 F190 D191 A251 I254 A255 L260 H264 L265	M189-V193 WeakPolarHBondContact O-CG2 3.28Å; M189-V193 PolarHBondContact O-N 2.9Å; M189-V193 VanDerWaalsContact O-N 3.09Å; F190-V193 CarbonylContact O-C 3.58Å; F190-V193 WeakPolarHBondContact O-CA 3.26Å; F190-V193 WeakPolarHBondContact O-CB 3.39Å; F190-V193 PolarHBondContact O-N 3.24Å; D191-V193 PolarHBondContact O-N 2.85Å; V193-A251 HydrophobicContact CG2-CB 3.92Å; V193-A251 WeakPolarHBondContact CG2-O 3.44Å; V193-I254 HydrophobicContact CB-CG2 4.27Å; V193-I254 HydrophobicContact CG1-CG2 4Å; V193-I254 HydrophobicContact CG2-CB 4.36Å; V193-I254 HydrophobicContact CG2-CG2 4.21Å; V193-A255 HydrophobicContact CG1-CB 3.69Å; V193-L260 HydrophobicContact CG1-CD1 4.12Å; V193-H264 PolarHBondContact O-CE1 3.35Å; V193-H264 VanDerWaalsContact O-CE1 3.3Å; V193-H264 PolarHBondContact O-NE2 3.14Å; V193-L265 HydrophobicContact CG2-CD1 4.43Å; V193-L265 HydrophobicContact CG2-CD2 4.45Å
194	Q	92	Very high	93.4	Very high	29 Å²	29	49.7 Å²	49.7	14%	0.136	27%	0.266	C	S	.	.	H	α-helix	trans	-69	-34.3	-177.7	-68.7	-168.6	88.4	0	0	113.3	F190 D191 S196 L260 F311 I313	F190-Q194 HydrophobicContact CD1-CG 4.32Å; F190-Q194 HydrophobicContact CD2-CG 3.9Å; F190-Q194 HydrophobicContact CE1-CG 4.05Å; F190-Q194 HydrophobicContact CE2-CG 3.61Å; F190-Q194 HydrophobicContact CG-CG 4.26Å; F190-Q194 VanDerWaalsContact CZ-CD 3.41Å; F190-Q194 HydrophobicContact CZ-CG 3.69Å; F190-Q194 WeakPolarHBondContact O-CG 3.47Å; F190-Q194 PolarHBondContact O-N 3.24Å; D191-Q194 PolarHBondContact O-N 3.33Å; Q194-S196 PolarHBondContact O-N 3.3Å; Q194-L260 HydrophobicContact CG-CD1 3.94Å; Q194-F311 PolarHBondContact NE2-O 2.73Å; Q194-F311 VanDerWaalsContact NE2-O 3.15Å; Q194-I313 HydrophobicContact CB-CD1 4.46Å; Q194-I313 VanDerWaalsContact OE1-N 3.09Å
195	F	88.6	Confident	93.4	Very high	100 Å²	100	50.9 Å²	50.9	44%	0.439	27%	0.27	S	S	.	.			trans	-95.7	86.6	-177	-64.4	-64.5	0	0	0	112.4	D191 N197 I313	D191-F195 HydrophobicContact CB-CD2 4.18Å; D191-F195 HydrophobicContact CB-CE2 4.28Å; D191-F195 WeakPolarHBondContact O-CB 3.37Å; D191-F195 WeakPolarHBondContact O-CD2 3.35Å; D191-F195 PolarHBondContact O-N 3.17Å; F195-N197 PolarHBondContact O-N 3.16Å; F195-I313 HydrophobicContact CD1-CD1 4.34Å; F195-I313 HydrophobicContact CE1-CD1 3.4Å; F195-I313 VanDerWaalsContact CE1-CD1 3.4Å; F195-I313 HydrophobicContact CE2-CD1 3.94Å; F195-I313 HydrophobicContact CZ-CD1 3.17Å
196	S	85.9	Confident	93.5	Very high	63 Å²	63	49.4 Å²	49.4	44%	0.441	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	5.5	179.5	68.8	0	0	0	0	115	Q194 K198	Q194-S196 PolarHBondContact O-N 3.3Å; S196-K198 PolarHBondContact O-N 3.04Å
197	N	86.6	Confident	93.5	Very high	128 Å²	128	51.3 Å²	51.3	68%	0.684	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-12.1	-179.8	65.2	-11.7	0	0	0	113.4	F195	F195-N197 PolarHBondContact O-N 3.16Å
198	K	86.8	Confident	93.6	Very high	158 Å²	158	51.8 Å²	51.8	69%	0.687	27%	0.268	S	S	*	.	S	Bend	trans	-135.7	145.7	175.6	-65.5	-175.4	-179	-179.4	0	109.5	S196 H264	S196-K198 PolarHBondContact O-N 3.04Å; K198-H264 PolarHBondContact O-CD2 3.22Å
199	S	93.4	Very high	93.7	Very high	88 Å²	88	49.2 Å²	49.2	62%	0.615	25%	0.252	S	S	*	.			trans	-62.4	141.1	168.9	51.8	0	0	0	0	110.1	H264	S199-H264 WeakPolarHBondContact CA-O 3.49Å
200	A	95.4	Very high	93.8	Very high	10 Å²	10	49.2 Å²	49.2	8%	0.083	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	112.2	179.2	0	0	0	0	0	109.9	K192 M202 H264 L265 R266	K192-A200 HydrophobicContact CB-CB 3.91Å; K192-A200 HydrophobicContact CD-CB 4.31Å; K192-A200 HydrophobicContact CG-CB 4.31Å; A200-M202 HydrophobicContact CB-CE 4.37Å; A200-H264 PolarHBondContact N-O 3.37Å; A200-L265 HydrophobicContact CB-CD2 4.1Å; A200-L265 WeakPolarHBondContact O-CA 3.36Å; A200-R266 PolarHBondContact O-N 3.39Å
201	N	94.9	Very high	93.9	Very high	95 Å²	95	49.3 Å²	49.3	51%	0.508	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	132.3	174.8	-71.1	-13.1	0	0	0	110.8	R266 I268	N201-R266 WeakPolarHBondContact CA-O 3.39Å; N201-R266 WeakPolarHBondContact OD1-CB 3.43Å; N201-I268 HydrophobicContact CB-CD1 3.57Å; N201-I268 HydrophobicContact CB-CG1 4.03Å
202	M	95.4	Very high	94.2	Very high	7 Å²	7	46 Å²	46	3%	0.034	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	136.8	178.8	-61.2	-60.9	-169.5	0	0	110.1	M189 K192 A200 H204 Y248 A251 L265 R266 P267 I268	M189-M202 HydrophobicContact CB-CE 4.24Å; M189-M202 HydrophobicContact SD-SD 4.48Å; K192-M202 HydrophobicContact CB-CE 3.46Å; K192-M202 VanDerWaalsContact CB-CE 3.46Å; K192-M202 HydrophobicContact CD-CE 3.53Å; K192-M202 HydrophobicContact CD-SD 4.11Å; K192-M202 HydrophobicContact CG-CE 4.16Å; A200-M202 HydrophobicContact CB-CE 4.37Å; M202-H204 PolarHBondContact O-N 2.94Å; M202-Y248 HydrophobicContact CB-CD2 4.24Å; M202-A251 HydrophobicContact CE-CB 3.97Å; M202-A251 HydrophobicContact CG-CB 4.12Å; M202-A251 HydrophobicContact SD-CB 4.49Å; M202-L265 HydrophobicContact CE-CD2 4.06Å; M202-R266 PolarHBondContact N-O 3.15Å; M202-P267 CarbonylContact O-C 3.41Å; M202-P267 WeakPolarHBondContact O-CA 3.35Å; M202-I268 PolarHBondContact O-N 3.02Å
203	D	94.6	Very high	94.4	Very high	29 Å²	29	41 Å²	41	16%	0.155	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	126.8	174	158.3	44	0	0	0	111.5	W205 Q206 R208 K247 Y248	D203-W205 PolarHBondContact OD1-N 2.98Å; D203-W205 PolarHBondContact OD1-NE1 3.34Å; D203-W205 VanDerWaalsContact OD1-NE1 3.09Å; D203-Q206 PolarHBondContact OD1-N 3.31Å; D203-R208 IonicContact OD2-CZ 3.35Å; D203-R208 IonicContact OD2-NH1 3.25Å; D203-R208 PolarHBondContact OD2-NH1 2.99Å; D203-R208 IonicContact OD2-NH2 3.48Å; D203-R208 PolarHBondContact OD2-NH2 3.23Å; D203-K247 HydrophobicContact CB-CB 4.28Å; D203-K247 HydrophobicContact CB-CD 4.45Å; D203-K247 WeakPolarHBondContact O-CB 3.47Å; D203-K247 PolarHBondContact O-N 3.38Å; D203-Y248 PolarHBondContact O-N 3.13Å
204	H	97.4	Very high	94.6	Very high	53 Å²	53	44.9 Å²	44.9	25%	0.245	23%	0.23	C	C	.	.			trans	-125.3	17.7	177.9	-165.6	40.8	0	0	0	112.6	M202 T246 Y248 E249 P267 I268	M202-H204 PolarHBondContact O-N 2.94Å; H204-T246 PolarHBondContact ND1-OG1 3.02Å; H204-Y248 HydrophobicContact CB-CD1 4.48Å; H204-Y248 HydrophobicContact CB-CG 4.36Å; H204-Y248 AromaticContact CE1-CD1 3.99Å; H204-Y248 AromaticContact CG-CD1 3.91Å; H204-Y248 AromaticContact ND1-CD1 3.71Å; H204-E249 IonicContact CE1-OE1 2.78Å; H204-E249 PolarHBondContact CE1-OE1 2.87Å; H204-E249 IonicContact CE1-OE2 2.92Å; H204-P267 HydrophobicContact CB-CB 3.62Å; H204-I268 WeakPolarHBondContact CA-O 3.45Å; H204-I268 PolarHBondContact N-O 2.78Å
205	W	95.1	Very high	95	Very high	28 Å²	28	43.6 Å²	43.6	11%	0.106	22%	0.224	C	C	.	.	S	Bend	trans	-102.2	-36.8	178.3	80.3	-96.7	0	0	0	112.8	D203 T269 R278 R280	D203-W205 PolarHBondContact OD1-N 2.98Å; D203-W205 PolarHBondContact OD1-NE1 3.34Å; D203-W205 VanDerWaalsContact OD1-NE1 3.09Å; W205-T269 VanDerWaalsContact CB-O 3.23Å; W205-T269 WeakPolarHBondContact CB-O 3.48Å; W205-R278 HydrophobicContact CH2-CB 4.07Å; W205-R278 VanDerWaalsContact CH2-O 3.27Å; W205-R278 WeakPolarHBondContact CH2-O 3.5Å; W205-R278 HydrophobicContact CZ2-CB 4.05Å; W205-R280 HydrophobicContact CE3-CB 4.37Å; W205-R280 HydrophobicContact CE3-CG 4.16Å; W205-R280 HydrophobicContact CZ3-CB 3.9Å; W205-R280 HydrophobicContact CZ3-CG 4.21Å
206	Q	95.8	Very high	95.4	Very high	3 Å²	3	38.9 Å²	38.9	1%	0.014	20%	0.204	C	C	.	.	S	Bend	trans	-89.5	118.8	-176.5	179.1	175.6	32.4	0	0	111.8	Y127 D203 R208 T246 R278 P279	Y127-Q206 PolarHBondContact OH-NE2 3.37Å; D203-Q206 PolarHBondContact OD1-N 3.31Å; Q206-R208 HydrophobicContact CG-CG 4.02Å; Q206-R208 PolarHBondContact O-NH1 3Å; Q206-T246 WeakPolarHBondContact O-CA 3Å; Q206-T246 WeakPolarHBondContact O-CG2 3.46Å; Q206-R278 VanDerWaalsContact OE1-CD 3.3Å; Q206-P279 VanDerWaalsContact CG-O 3.32Å; Q206-P279 WeakPolarHBondContact CG-O 3.41Å; Q206-P279 PolarHBondContact NE2-O 3.23Å
207	Q	97.3	Very high	96.1	Very high	40 Å²	40	35.9 Å²	35.9	19%	0.187	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-76.2	135.4	172.3	-54.8	-56.9	-41.2	0	0	110.3	Q244 R280 N281	Q207-Q244 HydrophobicContact CB-CG 4.3Å; Q207-R280 PolarHBondContact N-O 2.87Å; Q207-N281 HydrophobicContact CB-CB 3.92Å; Q207-N281 HydrophobicContact CG-CB 4.32Å
208	R	97.6	Very high	96.6	Very high	10 Å²	10	30 Å²	30	4%	0.038	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-143.2	164.1	-177.7	-56.8	179.1	-176.7	86.2	-12.7	110.5	I173 D203 Q206 Q244 M245 M250	I173-R208 HydrophobicContact CG2-CB 3.91Å; I173-R208 HydrophobicContact CG2-CG 4.45Å; D203-R208 IonicContact OD2-CZ 3.35Å; D203-R208 IonicContact OD2-NH1 3.25Å; D203-R208 PolarHBondContact OD2-NH1 2.99Å; D203-R208 IonicContact OD2-NH2 3.48Å; D203-R208 PolarHBondContact OD2-NH2 3.23Å; Q206-R208 HydrophobicContact CG-CG 4.02Å; Q206-R208 PolarHBondContact O-NH1 3Å; R208-Q244 WeakPolarHBondContact O-CA 3.5Å; R208-M245 CarbonylContact C-O 3.56Å; R208-M245 WeakPolarHBondContact CA-O 3.35Å; R208-M245 WeakPolarHBondContact CB-O 3.25Å; R208-M245 PolarHBondContact N-O 2.77Å; R208-M245 PolarHBondContact O-N 3.29Å; R208-M245 VanDerWaalsContact O-O 3.11Å; R208-M250 HydrophobicContact CB-CE 3.74Å
209	F	98.1	Very high	97.2	Very high	8 Å²	8	22.4 Å²	22.4	4%	0.035	12%	0.118	C	C	.	.			trans	-125	84.3	178.8	-67	-93.6	0	0	0	108.1	P172 T211 G241 Q244 Q283	P172-F209 HydrophobicContact CG-CB 4.37Å; P172-F209 WeakPolarHBondContact CG-O 3.29Å; F209-T211 PolarHBondContact O-N 3.27Å; F209-T211 VanDerWaalsContact O-N 3.13Å; F209-T211 PolarHBondContact O-OG1 3.29Å; F209-G241 WeakPolarHBondContact CD1-O 3.21Å; F209-Q244 HydrophobicContact CD1-CB 4.47Å; F209-Q244 HydrophobicContact CE1-CB 3.74Å; F209-Q244 HydrophobicContact CE1-CG 4.29Å; F209-Q244 HydrophobicContact CE2-CG 4.35Å; F209-Q244 HydrophobicContact CZ-CB 3.83Å; F209-Q244 HydrophobicContact CZ-CG 3.86Å; F209-Q283 HydrophobicContact CD2-CB 4.17Å; F209-Q283 HydrophobicContact CD2-CG 4.28Å; F209-Q283 HydrophobicContact CE1-CG 4.02Å; F209-Q283 HydrophobicContact CE2-CB 3.41Å; F209-Q283 VanDerWaalsContact CE2-CB 3.41Å; F209-Q283 HydrophobicContact CE2-CG 3.59Å; F209-Q283 HydrophobicContact CZ-CB 3.74Å; F209-Q283 VanDerWaalsContact CZ-CD 3.43Å; F209-Q283 HydrophobicContact CZ-CG 3.43Å; F209-Q283 VanDerWaalsContact CZ-CG 3.43Å
210	P	98.1	Very high	97.5	Very high	7 Å²	7	18.2 Å²	18.2	5%	0.045	9%	0.089	C	C	.	.			trans	-59.5	121.2	-176.8	27.7	-30.7	0	0	0	109.2	Y175 V186 E243 M245 M250 F300	Y175-P210 HydrophobicContact CD1-CB 3.87Å; Y175-P210 HydrophobicContact CE1-CB 3.92Å; V186-P210 HydrophobicContact CG2-CB 4.5Å; P210-E243 VanDerWaalsContact CD-O 3.27Å; P210-E243 WeakPolarHBondContact CD-O 3.43Å; P210-M245 HydrophobicContact CG-SD 4.36Å; P210-M250 HydrophobicContact CB-CE 3.88Å; P210-M250 HydrophobicContact CB-SD 4.24Å; P210-M250 HydrophobicContact CG-CE 3.8Å; P210-M250 HydrophobicContact CG-CG 4.45Å; P210-M250 HydrophobicContact CG-SD 4.41Å; P210-F300 HydrophobicContact CB-CD2 3.8Å; P210-F300 HydrophobicContact CB-CE2 3.8Å; P210-F300 HydrophobicContact CG-CD2 3.53Å; P210-F300 HydrophobicContact CG-CE2 3.84Å; P210-F300 HydrophobicContact CG-CG 4.35Å
211	T	98.6	Very high	97.6	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.006	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	127.9	-173.3	-57.8	0	0	0	0	110.2	P172 I173 L174 Y175 F209 V216 S240 G241	P172-T211 WeakPolarHBondContact CG-OG1 3.41Å; I173-T211 PolarHBondContact O-N 3.27Å; L174-T211 WeakPolarHBondContact CA-O 3.4Å; L174-T211 HydrophobicContact CD2-CG2 4.32Å; L174-T211 WeakPolarHBondContact CD2-O 3.36Å; Y175-T211 WeakPolarHBondContact CD1-O 3.33Å; Y175-T211 VanDerWaalsContact CE1-C 3.49Å; Y175-T211 PolarHBondContact N-O 2.98Å; F209-T211 PolarHBondContact O-N 3.27Å; F209-T211 VanDerWaalsContact O-N 3.13Å; F209-T211 PolarHBondContact O-OG1 3.29Å; T211-V216 HydrophobicContact CG2-CG2 3.58Å; T211-S240 WeakPolarHBondContact OG1-CA 3.27Å; T211-G241 PolarHBondContact OG1-N 3.41Å
212	H	98.7	Very high	97.8	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.009	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	134.7	-176.8	-166.5	-96.3	0	0	0	110.4	Y175 K214 D215 V216	Y175-H212 AromaticContact CD2-CD2 3.98Å; Y175-H212 HydrophobicContact CE1-CB 4.05Å; Y175-H212 HydrophobicContact CE2-CB 4.47Å; Y175-H212 AromaticContact CE2-CD2 3.51Å; Y175-H212 AromaticContact CZ-CD2 3.78Å; Y175-H212 CarbonylContact O-C 3.35Å; Y175-H212 WeakPolarHBondContact O-CA 3.36Å; H212-K214 VanDerWaalsContact C-N 3.28Å; H212-K214 VanDerWaalsContact CE1-CG 3.45Å; H212-K214 WeakPolarHBondContact CE1-CG 3.42Å; H212-K214 WeakPolarHBondContact ND1-CB 3.25Å; H212-K214 PolarHBondContact ND1-N 3.11Å; H212-K214 PolarHBondContact O-N 3.08Å; H212-D215 WeakPolarHBondContact CB-OD2 3.38Å; H212-D215 WeakPolarHBondContact O-CB 3.48Å; H212-D215 PolarHBondContact O-N 3.05Å; H212-V216 PolarHBondContact O-N 3.07Å
213	V	98.6	Very high	98	Very high	3 Å²	3	16.3 Å²	16.3	2%	0.018	7%	0.074	C	C	.	.	H	α-helix	trans	-65.2	-27.6	-176.5	-64.4	0	0	0	0	114.2	L28 L29 A32 L174 Y175 D215 V216 A217	L28-V213 HydrophobicContact CD1-CG1 4.11Å; L28-V213 HydrophobicContact CD1-CG2 4.3Å; L28-V213 HydrophobicContact CD2-CG1 4.14Å; L28-V213 HydrophobicContact CG-CG1 3.71Å; L29-V213 HydrophobicContact CD1-CB 4.2Å; L29-V213 HydrophobicContact CD1-CG1 4.37Å; A32-V213 HydrophobicContact CB-CB 3.79Å; A32-V213 HydrophobicContact CB-CG2 3.6Å; L174-V213 HydrophobicContact CB-CG1 3.96Å; L174-V213 HydrophobicContact CD1-CG1 4.04Å; L174-V213 HydrophobicContact CD2-CG1 4.5Å; L174-V213 HydrophobicContact CG-CG1 4.42Å; Y175-V213 WeakPolarHBondContact O-CG1 3.14Å; Y175-V213 PolarHBondContact O-N 2.82Å; V213-D215 VanDerWaalsContact C-N 3.29Å; V213-V216 PolarHBondContact O-N 3.35Å; V213-A217 WeakPolarHBondContact O-CB 3.3Å; V213-A217 PolarHBondContact O-N 3.42Å
214	K	98.4	Very high	98.1	Very high	81 Å²	81	15 Å²	15	35%	0.352	7%	0.067	S	C	.	.	H	α-helix	trans	-63.5	-38.3	171.7	-65.2	176.9	-169.8	166.9	0	110.9	H212 A217 T218 E306	H212-K214 VanDerWaalsContact C-N 3.28Å; H212-K214 VanDerWaalsContact CE1-CG 3.45Å; H212-K214 WeakPolarHBondContact CE1-CG 3.42Å; H212-K214 WeakPolarHBondContact ND1-CB 3.25Å; H212-K214 PolarHBondContact ND1-N 3.11Å; H212-K214 PolarHBondContact O-N 3.08Å; K214-A217 WeakPolarHBondContact O-CB 3.45Å; K214-A217 PolarHBondContact O-N 3.29Å; K214-T218 PolarHBondContact O-N 2.96Å; K214-T218 PolarHBondContact O-OG1 3.38Å; K214-T218 VanDerWaalsContact O-OG1 3.07Å; K214-E306 IonicContact NZ-OE2 3.75Å; K214-E306 PolarHBondContact NZ-OE2 3.42Å
215	D	98.7	Very high	98.2	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.011	7%	0.065	C	C	.	.	H	α-helix	trans	-66.3	-44.2	179.9	-63.6	-16.7	0	0	0	111.2	H212 V213 A217 T218 V219 Q296 R297 T298	H212-D215 WeakPolarHBondContact CB-OD2 3.38Å; H212-D215 WeakPolarHBondContact O-CB 3.48Å; H212-D215 PolarHBondContact O-N 3.05Å; V213-D215 VanDerWaalsContact C-N 3.29Å; D215-A217 VanDerWaalsContact C-N 3.31Å; D215-A217 PolarHBondContact O-N 2.97Å; D215-T218 PolarHBondContact O-N 2.62Å; D215-V219 WeakPolarHBondContact O-CG2 3.34Å; D215-V219 PolarHBondContact O-N 3.04Å; D215-Q296 HydrophobicContact CB-CB 4.45Å; D215-Q296 VanDerWaalsContact CB-O 3.25Å; D215-Q296 WeakPolarHBondContact CB-O 3.08Å; D215-Q296 PolarHBondContact OD1-NE2 3.19Å; D215-R297 WeakPolarHBondContact OD2-CA 3.45Å; D215-T298 PolarHBondContact OD1-N 2.91Å; D215-T298 PolarHBondContact OD1-OG1 2.85Å; D215-T298 WeakPolarHBondContact OD2-CB 3.11Å; D215-T298 PolarHBondContact OD2-N 2.72Å; D215-T298 PolarHBondContact OD2-OG1 2.9Å
216	V	98.8	Very high	98.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-63.5	-39.4	175	-176.7	0	0	0	0	111	L29 L169 I171 L174 T211 H212 V213 V219 C220	L29-V216 HydrophobicContact CD1-CB 3.76Å; L29-V216 HydrophobicContact CD1-CG1 3.67Å; L29-V216 HydrophobicContact CD2-CG1 4.12Å; L169-V216 HydrophobicContact CD2-CG1 4.18Å; I171-V216 HydrophobicContact CD1-CG1 4.36Å; I171-V216 HydrophobicContact CG2-CG1 4.09Å; I171-V216 HydrophobicContact CG2-CG2 4.31Å; L174-V216 HydrophobicContact CD2-CG2 3.83Å; T211-V216 HydrophobicContact CG2-CG2 3.58Å; H212-V216 PolarHBondContact O-N 3.07Å; V213-V216 PolarHBondContact O-N 3.35Å; V216-V219 PolarHBondContact O-N 3.1Å; V216-C220 PolarHBondContact O-N 3.29Å; V216-C220 PolarHBondContact O-SG 3.4Å
217	A	98.8	Very high	98.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-61.7	-46.4	175.9	0	0	0	0	0	111.9	A32 V33 E36 V213 K214 D215 V219 C220 R221	A32-A217 HydrophobicContact CB-CB 4.23Å; V33-A217 HydrophobicContact CG2-CB 4.1Å; E36-A217 HydrophobicContact CB-CB 3.68Å; E36-A217 HydrophobicContact CG-CB 4.1Å; V213-A217 WeakPolarHBondContact O-CB 3.3Å; V213-A217 PolarHBondContact O-N 3.42Å; K214-A217 WeakPolarHBondContact O-CB 3.45Å; K214-A217 PolarHBondContact O-N 3.29Å; D215-A217 VanDerWaalsContact C-N 3.31Å; D215-A217 PolarHBondContact O-N 2.97Å; A217-V219 VanDerWaalsContact C-N 3.3Å; A217-V219 PolarHBondContact O-N 3.37Å; A217-C220 WeakPolarHBondContact O-CB 3.43Å; A217-C220 PolarHBondContact O-N 3.2Å; A217-R221 PolarHBondContact O-N 3.48Å
218	T	98.8	Very high	98.3	Very high	4 Å²	4	21.1 Å²	21.1	3%	0.025	9%	0.094	C	C	.	.	H	α-helix	trans	-56.4	-45.7	173.7	-58.4	0	0	0	0	110.9	K214 D215 C220 R221 Q222 Q296	K214-T218 PolarHBondContact O-N 2.96Å; K214-T218 PolarHBondContact O-OG1 3.38Å; K214-T218 VanDerWaalsContact O-OG1 3.07Å; D215-T218 PolarHBondContact O-N 2.62Å; T218-C220 PolarHBondContact O-N 3.06Å; T218-R221 PolarHBondContact O-N 3.29Å; T218-Q222 HydrophobicContact CG2-CG 4.19Å; T218-Q222 WeakPolarHBondContact O-CB 3.31Å; T218-Q222 WeakPolarHBondContact O-CG 3.38Å; T218-Q222 PolarHBondContact O-N 3.31Å; T218-Q296 HydrophobicContact CG2-CB 4.18Å; T218-Q296 PolarHBondContact OG1-OE1 2.92Å
219	V	98.9	Very high	98.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61.7	-43.2	177.8	165.8	0	0	0	0	112	L169 D215 V216 A217 R221 Q222 L223 W239 L289 I294	L169-V219 HydrophobicContact CD1-CG1 4.2Å; L169-V219 HydrophobicContact CD2-CG1 4Å; D215-V219 WeakPolarHBondContact O-CG2 3.34Å; D215-V219 PolarHBondContact O-N 3.04Å; V216-V219 PolarHBondContact O-N 3.1Å; A217-V219 VanDerWaalsContact C-N 3.3Å; A217-V219 PolarHBondContact O-N 3.37Å; V219-R221 VanDerWaalsContact C-N 3.32Å; V219-R221 PolarHBondContact O-N 2.9Å; V219-Q222 PolarHBondContact O-N 2.85Å; V219-L223 WeakPolarHBondContact O-CB 3.45Å; V219-L223 PolarHBondContact O-N 2.94Å; V219-W239 HydrophobicContact CB-CG 4.4Å; V219-W239 HydrophobicContact CG1-CB 4.29Å; V219-W239 HydrophobicContact CG1-CG 4.3Å; V219-W239 HydrophobicContact CG2-CD2 3.66Å; V219-W239 HydrophobicContact CG2-CE3 4.28Å; V219-W239 HydrophobicContact CG2-CG 3.75Å; V219-W239 HydrophobicContact CG2-CZ2 4.37Å; V219-L289 HydrophobicContact CG1-CD1 3.66Å; V219-I294 HydrophobicContact CB-CG2 4.32Å; V219-I294 HydrophobicContact CG1-CG2 3.95Å; V219-I294 HydrophobicContact CG2-CG2 4.15Å
220	C	98.9	Very high	98.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59	-43.5	175.2	-70.7	0	0	0	0	111.8	F37 V80 I121 V216 A217 T218 A224	F37-C220 HydrophobicContact CE2-CB 4.19Å; V80-C220 HydrophobicContact CG1-CB 4.4Å; V80-C220 HydrophobicContact CG2-CB 4.46Å; I121-C220 HydrophobicContact CD1-CB 4.43Å; I121-C220 WeakPolarHBondContact CD1-O 3.06Å; V216-C220 PolarHBondContact O-N 3.29Å; V216-C220 PolarHBondContact O-SG 3.4Å; A217-C220 WeakPolarHBondContact O-CB 3.43Å; A217-C220 PolarHBondContact O-N 3.2Å; T218-C220 PolarHBondContact O-N 3.06Å; C220-A224 VanDerWaalsContact O-CB 3.32Å; C220-A224 WeakPolarHBondContact O-CB 3.34Å; C220-A224 PolarHBondContact O-N 3.39Å
221	R	98.7	Very high	98	Very high	30 Å²	30	32.9 Å²	32.9	11%	0.113	16%	0.161	C	C	.	.	H	α-helix	trans	-66.9	-47.4	177.9	-176.3	-174.7	58.6	73.3	1.2	112.1	E36 F37 N40 A217 T218 V219 L223 A224 E225	E36-R221 HydrophobicContact CG-CB 4.12Å; E36-R221 IonicContact OE1-CZ 3.13Å; E36-R221 IonicContact OE1-NE 3.17Å; E36-R221 PolarHBondContact OE1-NE 2.92Å; E36-R221 IonicContact OE1-NH2 2.69Å; E36-R221 PolarHBondContact OE1-NH2 2.81Å; F37-R221 HydrophobicContact CD1-CB 4.46Å; F37-R221 HydrophobicContact CD1-CG 4.19Å; F37-R221 HydrophobicContact CE1-CB 4.12Å; F37-R221 HydrophobicContact CE1-CG 4.03Å; F37-R221 HydrophobicContact CE2-CB 4.16Å; F37-R221 VanDerWaalsContact CZ-CA 3.48Å; F37-R221 HydrophobicContact CZ-CB 3.96Å; F37-R221 HydrophobicContact CZ-CG 4.4Å; N40-R221 PolarHBondContact ND2-NE 3.42Å; A217-R221 PolarHBondContact O-N 3.48Å; T218-R221 PolarHBondContact O-N 3.29Å; V219-R221 VanDerWaalsContact C-N 3.32Å; V219-R221 PolarHBondContact O-N 2.9Å; R221-L223 VanDerWaalsContact C-N 3.32Å; R221-L223 PolarHBondContact O-N 2.82Å; R221-A224 WeakPolarHBondContact O-CB 3.23Å; R221-A224 PolarHBondContact O-N 3.19Å; R221-E225 WeakPolarHBondContact CG-OE1 3.29Å; R221-E225 IonicContact CZ-OE1 3.63Å; R221-E225 IonicContact NH1-OE1 3.53Å; R221-E225 PolarHBondContact NH1-OE1 3Å; R221-E225 IonicContact NH1-OE2 2.73Å; R221-E225 PolarHBondContact NH1-OE2 3.04Å; R221-E225 WeakPolarHBondContact O-CG 3.17Å; R221-E225 PolarHBondContact O-N 2.76Å
222	Q	98.7	Very high	97.9	Very high	42 Å²	42	36.4 Å²	36.4	20%	0.196	19%	0.186	C	C	.	.	H	α-helix	trans	-62.1	-40.5	178	-74.2	175.7	-20.1	0	0	111.7	T218 V219 E225 K226 I294	T218-Q222 HydrophobicContact CG2-CG 4.19Å; T218-Q222 WeakPolarHBondContact O-CB 3.31Å; T218-Q222 WeakPolarHBondContact O-CG 3.38Å; T218-Q222 PolarHBondContact O-N 3.31Å; V219-Q222 PolarHBondContact O-N 2.85Å; Q222-E225 PolarHBondContact O-N 2.98Å; Q222-K226 WeakPolarHBondContact O-CB 3.19Å; Q222-K226 VanDerWaalsContact O-CG 3.24Å; Q222-K226 WeakPolarHBondContact O-CG 3.48Å; Q222-K226 PolarHBondContact O-N 3.33Å; Q222-I294 HydrophobicContact CB-CB 4.45Å; Q222-I294 HydrophobicContact CB-CG1 4.17Å; Q222-I294 HydrophobicContact CB-CG2 3.91Å
223	L	98.6	Very high	97.8	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64.2	-42.4	175.7	-174.7	63.3	0	0	0	111.5	F119 I121 A167 V219 R221 R227 I233 F237 L289 I294	F119-L223 HydrophobicContact CE1-CG 4.17Å; F119-L223 HydrophobicContact CZ-CD2 4.43Å; F119-L223 HydrophobicContact CZ-CG 4.2Å; I121-L223 HydrophobicContact CD1-CB 4.36Å; I121-L223 HydrophobicContact CD1-CD2 4.2Å; I121-L223 HydrophobicContact CD1-CG 4.41Å; I121-L223 HydrophobicContact CG1-CD2 4.35Å; I121-L223 HydrophobicContact CG2-CD2 4.47Å; A167-L223 HydrophobicContact CB-CD2 3.93Å; V219-L223 WeakPolarHBondContact O-CB 3.45Å; V219-L223 PolarHBondContact O-N 2.94Å; R221-L223 VanDerWaalsContact C-N 3.32Å; R221-L223 PolarHBondContact O-N 2.82Å; L223-R227 VanDerWaalsContact O-CB 3.31Å; L223-R227 WeakPolarHBondContact O-CB 3.38Å; L223-R227 PolarHBondContact O-N 3.44Å; L223-I233 HydrophobicContact CD1-CG2 3.47Å; L223-I233 VanDerWaalsContact CD1-CG2 3.47Å; L223-F237 HydrophobicContact CD1-CD2 4.35Å; L223-F237 HydrophobicContact CD1-CE2 4.1Å; L223-F237 HydrophobicContact CD1-CZ 4.2Å; L223-F237 HydrophobicContact CD2-CD2 4.17Å; L223-F237 HydrophobicContact CD2-CE2 4.5Å; L223-L289 HydrophobicContact CD1-CD2 4.16Å; L223-I294 HydrophobicContact CB-CD1 4.34Å; L223-I294 HydrophobicContact CD1-CD1 3.9Å
224	A	98.4	Very high	97.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59	-49.7	173	0	0	0	0	0	112.2	F37 W42 V78 I121 C220 R221 R227 M228	F37-A224 HydrophobicContact CE1-CB 4.09Å; F37-A224 HydrophobicContact CZ-CB 4Å; W42-A224 HydrophobicContact CH2-CB 4.14Å; W42-A224 HydrophobicContact CZ2-CB 4.28Å; V78-A224 HydrophobicContact CB-CB 4.49Å; V78-A224 HydrophobicContact CG1-CB 4.02Å; V78-A224 HydrophobicContact CG2-CB 3.84Å; I121-A224 HydrophobicContact CD1-CB 4.35Å; C220-A224 VanDerWaalsContact O-CB 3.32Å; C220-A224 WeakPolarHBondContact O-CB 3.34Å; C220-A224 PolarHBondContact O-N 3.39Å; R221-A224 WeakPolarHBondContact O-CB 3.23Å; R221-A224 PolarHBondContact O-N 3.19Å; A224-R227 PolarHBondContact O-N 3.21Å; A224-M228 WeakPolarHBondContact O-CG 3.44Å; A224-M228 PolarHBondContact O-N 3.41Å; A224-M228 VanDerWaalsContact O-N 3.09Å
225	E	97.7	Very high	97.8	Very high	46 Å²	46	38.8 Å²	38.8	22%	0.215	20%	0.202	C	C	.	.	H	α-helix	trans	-63.2	-43.8	179.2	-71.8	168.8	-179.5	0	0	112	R18 W42 R221 Q222 R227 M228 L229	R18-E225 IonicContact NH1-OE1 3.55Å; W42-E225 HydrophobicContact CZ2-CG 4.05Å; R221-E225 WeakPolarHBondContact CG-OE1 3.29Å; R221-E225 IonicContact CZ-OE1 3.63Å; R221-E225 IonicContact NH1-OE1 3.53Å; R221-E225 PolarHBondContact NH1-OE1 3Å; R221-E225 IonicContact NH1-OE2 2.73Å; R221-E225 PolarHBondContact NH1-OE2 3.04Å; R221-E225 WeakPolarHBondContact O-CG 3.17Å; R221-E225 PolarHBondContact O-N 2.76Å; Q222-E225 PolarHBondContact O-N 2.98Å; E225-R227 VanDerWaalsContact C-N 3.31Å; E225-R227 PolarHBondContact O-N 2.87Å; E225-M228 PolarHBondContact O-N 3.03Å; E225-L229 PolarHBondContact O-N 3.23Å
226	K	97.7	Very high	97.8	Very high	92 Å²	92	39.9 Å²	39.9	40%	0.4	21%	0.209	S	C	.	.	H	α-helix	trans	-61.1	-39.8	174.6	-73.4	-74.8	-174.3	174.6	0	111.8	Q222 M228 L229 D230 L292 I294	Q222-K226 WeakPolarHBondContact O-CB 3.19Å; Q222-K226 VanDerWaalsContact O-CG 3.24Å; Q222-K226 WeakPolarHBondContact O-CG 3.48Å; Q222-K226 PolarHBondContact O-N 3.33Å; K226-M228 VanDerWaalsContact C-N 3.31Å; K226-M228 PolarHBondContact O-N 3.1Å; K226-L229 PolarHBondContact O-N 3.41Å; K226-L229 VanDerWaalsContact O-N 3.14Å; K226-D230 PolarHBondContact O-N 3.23Å; K226-L292 VanDerWaalsContact CE-O 3.26Å; K226-L292 WeakPolarHBondContact CE-O 3.41Å; K226-L292 PolarHBondContact NZ-O 3.32Å; K226-I294 HydrophobicContact CB-CD1 4.26Å; K226-I294 HydrophobicContact CG-CD1 3.95Å; K226-I294 HydrophobicContact CG-CG1 4.07Å
227	R	97.1	Very high	97.8	Very high	56 Å²	56	40 Å²	40	21%	0.211	21%	0.209	C	C	.	.	H	α-helix	trans	-66.1	-29.4	176.4	179.9	52.3	164.2	92.1	-5.1	113.9	F119 L223 A224 E225 L229 D230 P231 I233	F119-R227 HydrophobicContact CB-CG 4.14Å; F119-R227 HydrophobicContact CD1-CB 3.81Å; F119-R227 HydrophobicContact CD1-CG 3.66Å; F119-R227 HydrophobicContact CD2-CG 3.73Å; F119-R227 HydrophobicContact CE1-CB 3.68Å; F119-R227 HydrophobicContact CE1-CG 3.84Å; F119-R227 HydrophobicContact CE2-CG 3.92Å; F119-R227 HydrophobicContact CG-CB 4.28Å; F119-R227 HydrophobicContact CG-CG 3.58Å; F119-R227 HydrophobicContact CZ-CB 4.04Å; F119-R227 HydrophobicContact CZ-CG 3.95Å; L223-R227 VanDerWaalsContact O-CB 3.31Å; L223-R227 WeakPolarHBondContact O-CB 3.38Å; L223-R227 PolarHBondContact O-N 3.44Å; A224-R227 PolarHBondContact O-N 3.21Å; E225-R227 VanDerWaalsContact C-N 3.31Å; E225-R227 PolarHBondContact O-N 2.87Å; R227-L229 PolarHBondContact O-N 3.5Å; R227-D230 WeakPolarHBondContact CD-O 3.5Å; R227-D230 CarbonylContact O-C 3.58Å; R227-P231 VanDerWaalsContact CZ-O 3.27Å; R227-P231 PolarHBondContact NE-O 2.68Å; R227-P231 PolarHBondContact NH2-O 3.02Å; R227-I233 HydrophobicContact CB-CB 4.37Å; R227-I233 HydrophobicContact CB-CG2 4.4Å; R227-I233 WeakPolarHBondContact CD-O 3.49Å; R227-I233 PolarHBondContact NE-O 3.44Å; R227-I233 VanDerWaalsContact NE-O 3.13Å
228	M	95.4	Very high	97.8	Very high	60 Å²	60	40 Å²	40	30%	0.296	21%	0.209	S	C	.	.	H	α-helix	trans	-68.8	-27.7	174.1	-65.2	-179.2	101.3	0	0	112	I15 R18 W42 H77 A224 E225 K226	I15-M228 HydrophobicContact CD1-CE 3.39Å; I15-M228 HydrophobicContact CD1-SD 4.08Å; I15-M228 HydrophobicContact CG2-CE 4.39Å; R18-M228 HydrophobicContact CG-CE 4.18Å; R18-M228 HydrophobicContact CG-SD 4.39Å; W42-M228 HydrophobicContact CH2-CE 4.39Å; W42-M228 HydrophobicContact CH2-SD 3.58Å; W42-M228 VanDerWaalsContact CH2-SD 3.58Å; W42-M228 HydrophobicContact CZ2-SD 3.89Å; H77-M228 HydrophobicContact CB-CE 4.3Å; A224-M228 WeakPolarHBondContact O-CG 3.44Å; A224-M228 PolarHBondContact O-N 3.41Å; A224-M228 VanDerWaalsContact O-N 3.09Å; E225-M228 PolarHBondContact O-N 3.03Å; K226-M228 VanDerWaalsContact C-N 3.31Å; K226-M228 PolarHBondContact O-N 3.1Å
229	L	96.1	Very high	97.8	Very high	122 Å²	122	40 Å²	40	64%	0.639	21%	0.209	S	C	*	.	H	α-helix	trans	-88.8	-36.4	177.8	-59.3	174.8	0	0	0	112.4	V13 E225 K226 R227	V13-L229 HydrophobicContact CG2-CD2 4.24Å; E225-L229 PolarHBondContact O-N 3.23Å; K226-L229 PolarHBondContact O-N 3.41Å; K226-L229 VanDerWaalsContact O-N 3.14Å; R227-L229 PolarHBondContact O-N 3.5Å
230	D	96.8	Very high	97.8	Very high	66 Å²	66	40.2 Å²	40.2	35%	0.353	21%	0.21	S	C	.	.			trans	-130.5	106.1	-177.8	180	3.1	0	0	0	111.4	K226 R227 S232 I233	K226-D230 PolarHBondContact O-N 3.23Å; R227-D230 WeakPolarHBondContact CD-O 3.5Å; R227-D230 CarbonylContact O-C 3.58Å; D230-S232 PolarHBondContact O-N 3.31Å; D230-S232 VanDerWaalsContact O-N 3.13Å; D230-S232 WeakPolarHBondContact OD1-CA 3.47Å; D230-S232 WeakPolarHBondContact OD1-CB 3.48Å; D230-S232 PolarHBondContact OD1-N 3.42Å; D230-S232 PolarHBondContact OD1-OG 2.7Å; D230-S232 PolarHBondContact OD2-OG 3.23Å; D230-I233 HydrophobicContact CB-CG1 3.99Å; D230-I233 WeakPolarHBondContact O-CG1 3.19Å; D230-I233 PolarHBondContact O-N 2.96Å
231	P	95	Very high	97.7	Very high	83 Å²	83	40.6 Å²	40.6	54%	0.539	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-11.8	177.3	-24.4	35.2	0	0	0	116.6	R227 I233	R227-P231 VanDerWaalsContact CZ-O 3.27Å; R227-P231 PolarHBondContact NE-O 2.68Å; R227-P231 PolarHBondContact NH2-O 3.02Å; P231-I233 PolarHBondContact O-N 3.34Å
232	S	96.9	Very high	97.6	Very high	75 Å²	75	44 Å²	44	52%	0.524	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-17.1	176	85.7	0	0	0	0	113	D230 K234	D230-S232 PolarHBondContact O-N 3.31Å; D230-S232 VanDerWaalsContact O-N 3.13Å; D230-S232 WeakPolarHBondContact OD1-CA 3.47Å; D230-S232 WeakPolarHBondContact OD1-CB 3.48Å; D230-S232 PolarHBondContact OD1-N 3.42Å; D230-S232 PolarHBondContact OD1-OG 2.7Å; D230-S232 PolarHBondContact OD2-OG 3.23Å; S232-K234 PolarHBondContact O-N 3.39Å
233	I	97.9	Very high	97.6	Very high	14 Å²	14	45.2 Å²	45.2	7%	0.072	24%	0.241	C	C	.	.			trans	-70	96.6	178.8	-58.2	-61.6	0	0	0	110.4	L223 R227 D230 P231 F237 L292	L223-I233 HydrophobicContact CD1-CG2 3.47Å; L223-I233 VanDerWaalsContact CD1-CG2 3.47Å; R227-I233 HydrophobicContact CB-CB 4.37Å; R227-I233 HydrophobicContact CB-CG2 4.4Å; R227-I233 WeakPolarHBondContact CD-O 3.49Å; R227-I233 PolarHBondContact NE-O 3.44Å; R227-I233 VanDerWaalsContact NE-O 3.13Å; D230-I233 HydrophobicContact CB-CG1 3.99Å; D230-I233 WeakPolarHBondContact O-CG1 3.19Å; D230-I233 PolarHBondContact O-N 2.96Å; P231-I233 PolarHBondContact O-N 3.34Å; I233-F237 HydrophobicContact CG2-CZ 4.02Å; I233-L292 HydrophobicContact CD1-CD1 3.94Å; I233-L292 HydrophobicContact CD1-CD2 3.87Å
234	K	97.9	Very high	97.5	Very high	103 Å²	103	50 Å²	50	45%	0.448	26%	0.263	S	S	.	.			trans	-159	174	180	66.3	-165	-177.4	169.3	0	110.8	L164 S232	L164-K234 WeakPolarHBondContact O-CD 3.38Å; S232-K234 PolarHBondContact O-N 3.39Å
235	G	97.9	Very high	97.5	Very high	20 Å²	20	51 Å²	51	21%	0.206	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	86.2	-156.3	-179.5	0	0	0	0	0	112.9	A166 A167 V168 F237	A166-G235 PolarHBondContact O-N 3.31Å; A167-G235 CarbonylContact C-O 3.54Å; A167-G235 WeakPolarHBondContact CA-O 3.18Å; V168-G235 PolarHBondContact N-O 3.26Å; G235-F237 WeakPolarHBondContact O-CD2 3.41Å; G235-F237 WeakPolarHBondContact O-CE2 3.44Å
236	T	98.8	Very high	97.5	Very high	24 Å²	24	48.8 Å²	48.8	15%	0.147	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	141.8	-172.8	-51.2	0	0	0	0	111.7	E138 V168 K288	E138-T236 HydrophobicContact CB-CG2 4.15Å; E138-T236 HydrophobicContact CG-CG2 4.08Å; E138-T236 WeakPolarHBondContact CG-O 3.27Å; V168-T236 HydrophobicContact CB-CG2 4.47Å; V168-T236 HydrophobicContact CG1-CG2 4.34Å; V168-T236 CarbonylContact O-C 3.58Å; V168-T236 WeakPolarHBondContact O-CA 3.37Å; T236-K288 PolarHBondContact O-NZ 2.98Å
237	F	98.9	Very high	97.5	Very high	3 Å²	3	47 Å²	47	1%	0.013	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	150.6	174.9	-61.4	-81.7	0	0	0	110.2	A167 V168 L169 R170 L223 I233 G235 K288 L289 L292	A167-F237 HydrophobicContact CB-CD2 4.02Å; A167-F237 HydrophobicContact CB-CE2 3.99Å; V168-F237 PolarHBondContact O-N 2.91Å; L169-F237 WeakPolarHBondContact CA-O 3.47Å; L169-F237 HydrophobicContact CD1-CB 4.06Å; R170-F237 PolarHBondContact N-O 2.94Å; L223-F237 HydrophobicContact CD1-CD2 4.35Å; L223-F237 HydrophobicContact CD1-CE2 4.1Å; L223-F237 HydrophobicContact CD1-CZ 4.2Å; L223-F237 HydrophobicContact CD2-CD2 4.17Å; L223-F237 HydrophobicContact CD2-CE2 4.5Å; I233-F237 HydrophobicContact CG2-CZ 4.02Å; G235-F237 WeakPolarHBondContact O-CD2 3.41Å; G235-F237 WeakPolarHBondContact O-CE2 3.44Å; F237-K288 HydrophobicContact CD1-CD 3.86Å; F237-K288 HydrophobicContact CD1-CG 4.13Å; F237-K288 HydrophobicContact CE1-CD 4.02Å; F237-K288 HydrophobicContact CE1-CG 4.22Å; F237-L289 HydrophobicContact CB-CD1 4.1Å; F237-L289 HydrophobicContact CB-CD2 3.96Å; F237-L289 HydrophobicContact CB-CG 3.99Å; F237-L289 HydrophobicContact CD1-CD2 3.34Å; F237-L289 HydrophobicContact CD1-CG 3.94Å; F237-L289 HydrophobicContact CE1-CD2 3.99Å; F237-L289 HydrophobicContact CG-CD2 3.78Å; F237-L289 HydrophobicContact CG-CG 4.3Å; F237-L292 HydrophobicContact CE1-CD1 3.98Å
238	H	98.9	Very high	97.6	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	139.5	176.3	-71.8	175.1	0	0	0	111.8	F129 Y136 R137 E138 R170 L284 D285 L289	F129-H238 AromaticContact CE2-CE1 3.82Å; F129-H238 AromaticContact CE2-NE2 3.86Å; F129-H238 AromaticContact CZ-CE1 3.91Å; F129-H238 AromaticContact CZ-NE2 3.99Å; Y136-H238 PolarHBondContact O-CE1 3.09Å; Y136-H238 VanDerWaalsContact O-CE1 3.22Å; Y136-H238 PolarHBondContact O-ND1 2.84Å; R137-H238 PolarHBondContact O-CE1 3.39Å; E138-H238 IonicContact OE1-CG 3.28Å; E138-H238 PolarHBondContact OE1-N 3.27Å; E138-H238 VanDerWaalsContact OE1-N 3.1Å; R170-H238 VanDerWaalsContact CD-NE2 3.25Å; R170-H238 WeakPolarHBondContact CD-NE2 3.41Å; R170-H238 PolarHBondContact NH1-NE2 2.85Å; H238-L284 HydrophobicContact CB-CB 3.97Å; H238-L284 HydrophobicContact CB-CD1 4.29Å; H238-D285 WeakPolarHBondContact CB-O 3.49Å; H238-D285 PolarHBondContact ND1-O 3.02Å; H238-L289 WeakPolarHBondContact O-CD1 3.4Å
239	W	98.8	Very high	97.7	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.015	25%	0.253	C	S	.	.			trans	-140.4	133.8	165.2	-165.1	-108.4	0	0	0	112.6	L169 R170 P172 V219 C286 L289 E290 G295 Q296 R297	L169-W239 HydrophobicContact CD1-CB 4.04Å; R170-W239 PolarHBondContact O-N 3.38Å; P172-W239 VanDerWaalsContact CD-O 3.25Å; P172-W239 WeakPolarHBondContact CD-O 3.45Å; V219-W239 HydrophobicContact CB-CG 4.4Å; V219-W239 HydrophobicContact CG1-CB 4.29Å; V219-W239 HydrophobicContact CG1-CG 4.3Å; V219-W239 HydrophobicContact CG2-CD2 3.66Å; V219-W239 HydrophobicContact CG2-CE3 4.28Å; V219-W239 HydrophobicContact CG2-CG 3.75Å; V219-W239 HydrophobicContact CG2-CZ2 4.37Å; W239-C286 HydrophobicContact CE3-CB 3.96Å; W239-C286 HydrophobicContact CZ3-CB 4.04Å; W239-L289 HydrophobicContact CB-CD1 4.23Å; W239-L289 HydrophobicContact CE3-CB 4.13Å; W239-L289 HydrophobicContact CE3-CD1 4.02Å; W239-L289 HydrophobicContact CZ3-CB 4.29Å; W239-E290 HydrophobicContact CH2-CG 4.27Å; W239-E290 HydrophobicContact CZ3-CG 3.9Å; W239-G295 VanDerWaalsContact CZ2-CA 3.43Å; W239-Q296 WeakPolarHBondContact CZ2-O 3.48Å; W239-Q296 PolarHBondContact NE1-O 3.3Å; W239-R297 HydrophobicContact CZ2-CG 3.86Å
240	S	98.3	Very high	97.8	Very high	4 Å²	4	41.9 Å²	41.9	3%	0.028	22%	0.222	C	C	.	.			trans	-151.9	156.1	176	62.9	0	0	0	0	112.3	T211 C286 R297	T211-S240 WeakPolarHBondContact OG1-CA 3.27Å; S240-C286 PolarHBondContact N-SG 3.18Å; S240-C286 PolarHBondContact OG-SG 3.3Å; S240-C286 VanDerWaalsContact OG-SG 3.35Å; S240-R297 PolarHBondContact O-NE 2.76Å
241	G	97.7	Very high	97.9	Very high	9 Å²	9	38.7 Å²	38.7	9%	0.093	21%	0.205	C	C	.	.			trans	-59	159	162.3	0	0	0	0	0	111	F209 T211	F209-G241 WeakPolarHBondContact CD1-O 3.21Å; T211-G241 PolarHBondContact OG1-N 3.41Å
242	N	96.1	Very high	98.1	Very high	102 Å²	102	36.2 Å²	36.2	55%	0.545	19%	0.19	S	C	.	.	S	Bend	trans	-105	1.6	-175.6	60	-19.4	0	0	0	113.7	R297	N242-R297 WeakPolarHBondContact OD1-CD 3.46Å
243	E	97.9	Very high	98.1	Very high	67 Å²	67	33.9 Å²	33.9	31%	0.313	18%	0.175	S	C	.	.			trans	-94.7	110.9	177.1	-68.7	173.1	-103.6	0	0	109.9	P210 M245 P299 F300	P210-E243 VanDerWaalsContact CD-O 3.27Å; P210-E243 WeakPolarHBondContact CD-O 3.43Å; E243-M245 HydrophobicContact CB-CE 3.94Å; E243-M245 WeakPolarHBondContact OE2-CE 3.45Å; E243-P299 VanDerWaalsContact OE1-CA 3.29Å; E243-P299 WeakPolarHBondContact OE1-CA 3.45Å; E243-F300 PolarHBondContact OE1-N 2.9Å
244	Q	97.8	Very high	98.1	Very high	100 Å²	100	33.2 Å²	33.2	47%	0.467	17%	0.171	S	C	.	.			trans	-75.8	125.5	175.6	-175.5	-177	-49.5	0	0	110.1	Q207 R208 F209	Q207-Q244 HydrophobicContact CB-CG 4.3Å; R208-Q244 WeakPolarHBondContact O-CA 3.5Å; F209-Q244 HydrophobicContact CD1-CB 4.47Å; F209-Q244 HydrophobicContact CE1-CB 3.74Å; F209-Q244 HydrophobicContact CE1-CG 4.29Å; F209-Q244 HydrophobicContact CE2-CG 4.35Å; F209-Q244 HydrophobicContact CZ-CB 3.83Å; F209-Q244 HydrophobicContact CZ-CG 3.86Å
245	M	98.1	Very high	98.1	Very high	20 Å²	20	28.3 Å²	28.3	10%	0.099	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-148.4	146.9	177.4	-57.1	-174.5	-175.2	0	0	112.3	R208 P210 E243 E249 M250 A253 F300	R208-M245 CarbonylContact C-O 3.56Å; R208-M245 WeakPolarHBondContact CA-O 3.35Å; R208-M245 WeakPolarHBondContact CB-O 3.25Å; R208-M245 PolarHBondContact N-O 2.77Å; R208-M245 PolarHBondContact O-N 3.29Å; R208-M245 VanDerWaalsContact O-O 3.11Å; P210-M245 HydrophobicContact CG-SD 4.36Å; E243-M245 HydrophobicContact CB-CE 3.94Å; E243-M245 WeakPolarHBondContact OE2-CE 3.45Å; M245-E249 HydrophobicContact CB-CB 4.15Å; M245-M250 HydrophobicContact CB-CE 3.95Å; M245-M250 HydrophobicContact CB-CG 3.69Å; M245-M250 HydrophobicContact CG-CG 4.41Å; M245-M250 WeakPolarHBondContact O-CE 3.33Å; M245-M250 HydrophobicContact SD-CG 3.85Å; M245-A253 HydrophobicContact SD-CB 4.49Å; M245-F300 HydrophobicContact CE-CB 3.78Å; M245-F300 HydrophobicContact CE-CD1 3.76Å; M245-F300 HydrophobicContact CE-CG 3.84Å; M245-F300 HydrophobicContact SD-CD1 3.83Å; M245-F300 HydrophobicContact SD-CD2 4.48Å; M245-F300 HydrophobicContact SD-CE1 4.12Å; M245-F300 HydrophobicContact SD-CG 4.02Å
246	T	98.3	Very high	98	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.163	C	C	.	.			trans	-84.5	171.2	159.4	62.6	0	0	0	0	111.1	H204 Q206 Y248 E249 M250	H204-T246 PolarHBondContact ND1-OG1 3.02Å; Q206-T246 WeakPolarHBondContact O-CA 3Å; Q206-T246 WeakPolarHBondContact O-CG2 3.46Å; T246-Y248 VanDerWaalsContact C-N 3.28Å; T246-Y248 PolarHBondContact O-N 2.95Å; T246-E249 WeakPolarHBondContact CB-OE2 3.42Å; T246-E249 WeakPolarHBondContact CG2-OE2 3.37Å; T246-E249 PolarHBondContact N-OE2 3.45Å; T246-E249 PolarHBondContact O-N 3.14Å; T246-E249 WeakPolarHBondContact OG1-CG 3.03Å; T246-E249 PolarHBondContact OG1-N 2.96Å; T246-E249 PolarHBondContact OG1-OE2 3.04Å; T246-M250 VanDerWaalsContact O-CG 3.27Å; T246-M250 WeakPolarHBondContact O-CG 3.39Å; T246-M250 PolarHBondContact O-N 2.94Å
247	K	97.3	Very high	97.9	Very high	54 Å²	54	30.5 Å²	30.5	24%	0.235	16%	0.156	C	C	.	.	H	α-helix	trans	-63.2	-36.1	175.4	-82	-175.7	178.1	-176.7	0	112.4	M189 D203 A251	M189-K247 HydrophobicContact SD-CB 3.73Å; M189-K247 HydrophobicContact SD-CD 4.15Å; M189-K247 HydrophobicContact SD-CG 3.78Å; D203-K247 HydrophobicContact CB-CB 4.28Å; D203-K247 HydrophobicContact CB-CD 4.45Å; D203-K247 WeakPolarHBondContact O-CB 3.47Å; D203-K247 PolarHBondContact O-N 3.38Å; K247-A251 WeakPolarHBondContact O-CB 3.35Å; K247-A251 PolarHBondContact O-N 2.92Å
248	Y	98.4	Very high	97.7	Very high	58 Å²	58	31.6 Å²	31.6	23%	0.227	16%	0.161	C	C	.	.	H	α-helix	trans	-60.2	-48.8	173.4	172.8	-105.6	0	0	0	111.5	M202 D203 H204 T246 A251 C252 L265 P267	M202-Y248 HydrophobicContact CB-CD2 4.24Å; D203-Y248 PolarHBondContact O-N 3.13Å; H204-Y248 HydrophobicContact CB-CD1 4.48Å; H204-Y248 HydrophobicContact CB-CG 4.36Å; H204-Y248 AromaticContact CE1-CD1 3.99Å; H204-Y248 AromaticContact CG-CD1 3.91Å; H204-Y248 AromaticContact ND1-CD1 3.71Å; T246-Y248 VanDerWaalsContact C-N 3.28Å; T246-Y248 PolarHBondContact O-N 2.95Å; Y248-A251 PolarHBondContact O-N 3.36Å; Y248-C252 PolarHBondContact O-N 3.29Å; Y248-C252 PolarHBondContact O-SG 2.84Å; Y248-C252 VanDerWaalsContact O-SG 3.4Å; Y248-L265 HydrophobicContact CD2-CB 4.37Å; Y248-L265 HydrophobicContact CE2-CB 4.01Å; Y248-P267 HydrophobicContact CD1-CB 3.96Å; Y248-P267 HydrophobicContact CD2-CB 3.94Å; Y248-P267 HydrophobicContact CE1-CB 4.17Å; Y248-P267 HydrophobicContact CE1-CG 4.42Å; Y248-P267 HydrophobicContact CE2-CB 4.15Å; Y248-P267 HydrophobicContact CE2-CG 4.27Å; Y248-P267 HydrophobicContact CG-CB 3.84Å
249	E	98.6	Very high	97.4	Very high	73 Å²	73	38 Å²	38	34%	0.341	20%	0.195	S	C	.	.	H	α-helix	trans	-65.5	-40.7	178.9	-71.5	157.1	149.3	0	0	112	H204 M245 T246 A251 C252 A253	H204-E249 IonicContact CE1-OE1 2.78Å; H204-E249 PolarHBondContact CE1-OE1 2.87Å; H204-E249 IonicContact CE1-OE2 2.92Å; M245-E249 HydrophobicContact CB-CB 4.15Å; T246-E249 WeakPolarHBondContact CB-OE2 3.42Å; T246-E249 WeakPolarHBondContact CG2-OE2 3.37Å; T246-E249 PolarHBondContact N-OE2 3.45Å; T246-E249 PolarHBondContact O-N 3.14Å; T246-E249 WeakPolarHBondContact OG1-CG 3.03Å; T246-E249 PolarHBondContact OG1-N 2.96Å; T246-E249 PolarHBondContact OG1-OE2 3.04Å; E249-A251 VanDerWaalsContact C-N 3.33Å; E249-A251 PolarHBondContact O-N 3.39Å; E249-C252 PolarHBondContact O-N 3.01Å; E249-A253 WeakPolarHBondContact O-CB 3.13Å; E249-A253 PolarHBondContact O-N 3.45Å
250	M	98.6	Very high	97.2	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.7	-44.4	172	-69.2	174.5	-159.8	0	0	111.4	V186 M189 R208 P210 M245 T246 A253 I254 F300	V186-M250 HydrophobicContact CG1-SD 4.32Å; V186-M250 HydrophobicContact CG2-SD 4.02Å; M189-M250 HydrophobicContact CE-CB 3.47Å; M189-M250 VanDerWaalsContact CE-CB 3.47Å; M189-M250 HydrophobicContact CE-CG 4.4Å; M189-M250 HydrophobicContact CE-SD 4.09Å; R208-M250 HydrophobicContact CB-CE 3.74Å; P210-M250 HydrophobicContact CB-CE 3.88Å; P210-M250 HydrophobicContact CB-SD 4.24Å; P210-M250 HydrophobicContact CG-CE 3.8Å; P210-M250 HydrophobicContact CG-CG 4.45Å; P210-M250 HydrophobicContact CG-SD 4.41Å; M245-M250 HydrophobicContact CB-CE 3.95Å; M245-M250 HydrophobicContact CB-CG 3.69Å; M245-M250 HydrophobicContact CG-CG 4.41Å; M245-M250 WeakPolarHBondContact O-CE 3.33Å; M245-M250 HydrophobicContact SD-CG 3.85Å; T246-M250 VanDerWaalsContact O-CG 3.27Å; T246-M250 WeakPolarHBondContact O-CG 3.39Å; T246-M250 PolarHBondContact O-N 2.94Å; M250-A253 PolarHBondContact O-N 3.37Å; M250-I254 WeakPolarHBondContact O-CD1 3.27Å; M250-I254 WeakPolarHBondContact O-CG1 3.46Å; M250-I254 PolarHBondContact O-N 2.86Å; M250-F300 HydrophobicContact CB-CE1 4.42Å; M250-F300 HydrophobicContact CB-CZ 3.95Å; M250-F300 HydrophobicContact CG-CE2 4.33Å; M250-F300 HydrophobicContact CG-CZ 4.05Å
251	A	98.2	Very high	97	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.4	-40.4	179	0	0	0	0	0	112	V193 M202 K247 Y248 E249 I254 A255 L265	V193-A251 HydrophobicContact CG2-CB 3.92Å; V193-A251 WeakPolarHBondContact CG2-O 3.44Å; M202-A251 HydrophobicContact CE-CB 3.97Å; M202-A251 HydrophobicContact CG-CB 4.12Å; M202-A251 HydrophobicContact SD-CB 4.49Å; K247-A251 WeakPolarHBondContact O-CB 3.35Å; K247-A251 PolarHBondContact O-N 2.92Å; Y248-A251 PolarHBondContact O-N 3.36Å; E249-A251 VanDerWaalsContact C-N 3.33Å; E249-A251 PolarHBondContact O-N 3.39Å; A251-I254 PolarHBondContact O-N 3.43Å; A251-A255 PolarHBondContact O-N 3.31Å; A251-L265 HydrophobicContact CB-CD1 3.8Å; A251-L265 HydrophobicContact CB-CD2 4.49Å
252	C	98.2	Very high	96.9	Very high	31 Å²	31	45.1 Å²	45.1	21%	0.209	24%	0.239	C	C	.	.	H	α-helix	trans	-63.8	-43.1	172.6	-70.3	0	0	0	0	112	Y248 E249 I254 A255 D256	Y248-C252 PolarHBondContact O-N 3.29Å; Y248-C252 PolarHBondContact O-SG 2.84Å; Y248-C252 VanDerWaalsContact O-SG 3.4Å; E249-C252 PolarHBondContact O-N 3.01Å; C252-I254 VanDerWaalsContact C-N 3.33Å; C252-I254 PolarHBondContact O-N 3.16Å; C252-A255 WeakPolarHBondContact O-CB 3.27Å; C252-A255 PolarHBondContact O-N 3.16Å; C252-D256 PolarHBondContact O-N 3.13Å
253	A	98.2	Very high	96.9	Very high	25 Å²	25	44.5 Å²	44.5	21%	0.207	24%	0.242	C	C	.	.	H	α-helix	trans	-65.8	-34.8	176.7	0	0	0	0	0	112.4	M245 E249 M250 A257 F300	M245-A253 HydrophobicContact SD-CB 4.49Å; E249-A253 WeakPolarHBondContact O-CB 3.13Å; E249-A253 PolarHBondContact O-N 3.45Å; M250-A253 PolarHBondContact O-N 3.37Å; A253-A257 WeakPolarHBondContact O-CB 3.31Å; A253-A257 PolarHBondContact O-N 3.27Å; A253-F300 HydrophobicContact CB-CD1 3.93Å; A253-F300 HydrophobicContact CB-CE1 3.77Å
254	I	97.8	Very high	96.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.7	-45.3	170.6	-69	162.5	0	0	0	110.2	V186 M189 F190 V193 M250 A251 C252 D256 A257 F258 F300 I304 L308	V186-I254 HydrophobicContact CG1-CD1 4.43Å; M189-I254 HydrophobicContact CE-CD1 4.08Å; F190-I254 HydrophobicContact CD2-CG2 3.58Å; F190-I254 HydrophobicContact CE2-CG2 3.92Å; V193-I254 HydrophobicContact CB-CG2 4.27Å; V193-I254 HydrophobicContact CG1-CG2 4Å; V193-I254 HydrophobicContact CG2-CB 4.36Å; V193-I254 HydrophobicContact CG2-CG2 4.21Å; M250-I254 WeakPolarHBondContact O-CD1 3.27Å; M250-I254 WeakPolarHBondContact O-CG1 3.46Å; M250-I254 PolarHBondContact O-N 2.86Å; A251-I254 PolarHBondContact O-N 3.43Å; C252-I254 VanDerWaalsContact C-N 3.33Å; C252-I254 PolarHBondContact O-N 3.16Å; I254-D256 VanDerWaalsContact C-N 3.33Å; I254-D256 PolarHBondContact O-N 3.35Å; I254-A257 PolarHBondContact O-N 2.81Å; I254-F258 HydrophobicContact CG2-CD2 4.13Å; I254-F258 HydrophobicContact CG2-CE2 4.39Å; I254-F258 WeakPolarHBondContact O-CD2 3.46Å; I254-F258 PolarHBondContact O-N 3.33Å; I254-F300 HydrophobicContact CD1-CZ 4.43Å; I254-F300 HydrophobicContact CG1-CE1 4.19Å; I254-F300 HydrophobicContact CG1-CZ 4.18Å; I254-I304 HydrophobicContact CD1-CD1 4.49Å; I254-I304 HydrophobicContact CD1-CG1 4.08Å; I254-I304 HydrophobicContact CG1-CG1 3.63Å; I254-I304 HydrophobicContact CG1-CG2 4.31Å; I254-L308 HydrophobicContact CD1-CD1 4.35Å; I254-L308 HydrophobicContact CG1-CD1 4.38Å; I254-L308 HydrophobicContact CG2-CD1 3.94Å
255	A	96.8	Very high	96.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.1	-46.9	178.1	0	0	0	0	0	110.9	V193 A251 C252 A257 F258 N259 L260	V193-A255 HydrophobicContact CG1-CB 3.69Å; A251-A255 PolarHBondContact O-N 3.31Å; C252-A255 WeakPolarHBondContact O-CB 3.27Å; C252-A255 PolarHBondContact O-N 3.16Å; A255-A257 PolarHBondContact O-N 3.33Å; A255-F258 CarbonylContact O-C 3.59Å; A255-F258 PolarHBondContact O-N 3.22Å; A255-N259 PolarHBondContact O-N 3.27Å; A255-L260 HydrophobicContact CB-CB 4.36Å; A255-L260 PolarHBondContact O-N 3.15Å
256	D	96.5	Very high	96.8	Very high	91 Å²	91	41.8 Å²	41.8	49%	0.487	22%	0.224	S	C	.	.	H	α-helix	trans	-59.9	-44.9	175	178.9	84.1	0	0	0	112.8	C252 I254 F258 N259 R301	C252-D256 PolarHBondContact O-N 3.13Å; I254-D256 VanDerWaalsContact C-N 3.33Å; I254-D256 PolarHBondContact O-N 3.35Å; D256-F258 PolarHBondContact O-N 3.35Å; D256-F258 VanDerWaalsContact O-N 3.08Å; D256-N259 PolarHBondContact O-N 2.83Å; D256-N259 VanDerWaalsContact O-N 3.11Å; D256-R301 PolarHBondContact O-NH2 2.69Å; D256-R301 IonicContact OD2-CZ 3.29Å; D256-R301 IonicContact OD2-NE 3.83Å; D256-R301 PolarHBondContact OD2-NE 3.18Å; D256-R301 IonicContact OD2-NH2 3.82Å; D256-R301 PolarHBondContact OD2-NH2 3.26Å
257	A	95.9	Very high	96.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-57.6	-28.4	-179.4	0	0	0	0	0	113.4	A253 I254 A255 R301 I304	A253-A257 WeakPolarHBondContact O-CB 3.31Å; A253-A257 PolarHBondContact O-N 3.27Å; I254-A257 PolarHBondContact O-N 2.81Å; A255-A257 PolarHBondContact O-N 3.33Å; A257-R301 HydrophobicContact CB-CG 3.84Å; A257-I304 HydrophobicContact CB-CG2 4.32Å
258	F	94.9	Very high	96.7	Very high	26 Å²	26	45.4 Å²	45.4	11%	0.114	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	7.4	-178.3	-69.6	-70.3	0	0	0	114.2	F190 I254 A255 D256 L260 K305 L308 W309 L312	F190-F258 AromaticContact CE2-CD2 3.7Å; F190-F258 HydrophobicContact CE2-CD2 3.7Å; F190-F258 AromaticContact CE2-CE2 3.81Å; F190-F258 HydrophobicContact CE2-CE2 3.81Å; F190-F258 HydrophobicContact CE2-CG 4.37Å; F190-F258 HydrophobicContact CZ-CD2 4.12Å; F190-F258 HydrophobicContact CZ-CE2 4.01Å; F190-F258 HydrophobicContact CZ-CZ 4.28Å; I254-F258 HydrophobicContact CG2-CD2 4.13Å; I254-F258 HydrophobicContact CG2-CE2 4.39Å; I254-F258 WeakPolarHBondContact O-CD2 3.46Å; I254-F258 PolarHBondContact O-N 3.33Å; A255-F258 CarbonylContact O-C 3.59Å; A255-F258 PolarHBondContact O-N 3.22Å; D256-F258 PolarHBondContact O-N 3.35Å; D256-F258 VanDerWaalsContact O-N 3.08Å; F258-L260 HydrophobicContact CB-CD1 3.81Å; F258-L260 HydrophobicContact CB-CG 3.88Å; F258-L260 PolarHBondContact O-N 3.05Å; F258-K305 HydrophobicContact CE1-CG 3.86Å; F258-K305 HydrophobicContact CZ-CB 4.29Å; F258-K305 HydrophobicContact CZ-CG 4Å; F258-L308 HydrophobicContact CE2-CB 3.72Å; F258-L308 HydrophobicContact CE2-CD1 4.24Å; F258-L308 HydrophobicContact CZ-CB 3.64Å; F258-W309 HydrophobicContact CE1-CB 4.36Å; F258-L312 HydrophobicContact CB-CD1 4.41Å; F258-L312 HydrophobicContact CD1-CD1 3.04Å; F258-L312 HydrophobicContact CD1-CG 4.43Å; F258-L312 HydrophobicContact CD2-CD1 4.48Å; F258-L312 HydrophobicContact CE1-CD1 3.13Å; F258-L312 HydrophobicContact CG-CD1 3.76Å; F258-L312 HydrophobicContact CZ-CD1 3.95Å
259	N	93.8	Very high	96.6	Very high	134 Å²	134	47 Å²	47	72%	0.717	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	39.9	-175.4	-53.5	-53.9	0	0	0	113.2	A255 D256	A255-N259 PolarHBondContact O-N 3.27Å; D256-N259 PolarHBondContact O-N 2.83Å; D256-N259 VanDerWaalsContact O-N 3.11Å
260	L	94.2	Very high	96.2	Very high	47 Å²	47	49.4 Å²	49.4	25%	0.246	28%	0.28	C	S	.	.			trans	-97.7	152.3	177.6	-64.3	172	0	0	0	110.6	F190 V193 Q194 A255 F258	F190-L260 HydrophobicContact CE2-CD1 4.4Å; V193-L260 HydrophobicContact CG1-CD1 4.12Å; Q194-L260 HydrophobicContact CG-CD1 3.94Å; A255-L260 HydrophobicContact CB-CB 4.36Å; A255-L260 PolarHBondContact O-N 3.15Å; F258-L260 HydrophobicContact CB-CD1 3.81Å; F258-L260 HydrophobicContact CB-CG 3.88Å; F258-L260 PolarHBondContact O-N 3.05Å
261	P	94	Very high	95.6	Very high	66 Å²	66	52.7 Å²	52.7	43%	0.429	30%	0.303	S	S	.	.			trans	-64.1	141.7	173.5	28.2	-34.8	0	0	0	110.9	H264	P261-H264 PolarHBondContact O-CE1 2.83Å; P261-H264 PolarHBondContact O-ND1 2.69Å
262	S	96.4	Very high	94.8	Very high	54 Å²	54	55.7 Å²	55.7	38%	0.378	32%	0.322	S	S	.	.			trans	-111.1	-1.8	173.8	58.2	0	0	0	0	112.9	H264 L265	S262-H264 PolarHBondContact O-N 3.26Å; S262-L265 WeakPolarHBondContact O-CB 3.27Å; S262-L265 PolarHBondContact O-N 3.02Å
263	S	96.2	Very high	93.8	Very high	89 Å²	89	61 Å²	61	62%	0.622	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-9.7	-172.9	65.1	0	0	0	0	114.4	R266	S263-R266 PolarHBondContact O-NH1 3.11Å; S263-R266 PolarHBondContact O-NH2 3.29Å
264	H	96.3	Very high	92.9	Very high	10 Å²	10	67.1 Å²	67.1	5%	0.046	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-12.8	172.7	66.3	-70.2	0	0	0	113.3	K192 V193 K198 S199 A200 P261 S262	K192-H264 PolarHBondContact O-CD2 2.84Å; K192-H264 PolarHBondContact O-NE2 3.06Å; V193-H264 PolarHBondContact O-CE1 3.35Å; V193-H264 VanDerWaalsContact O-CE1 3.3Å; V193-H264 PolarHBondContact O-NE2 3.14Å; K198-H264 PolarHBondContact O-CD2 3.22Å; S199-H264 WeakPolarHBondContact CA-O 3.49Å; A200-H264 PolarHBondContact N-O 3.37Å; P261-H264 PolarHBondContact O-CE1 2.83Å; P261-H264 PolarHBondContact O-ND1 2.69Å; S262-H264 PolarHBondContact O-N 3.26Å
265	L	97.8	Very high	92	Very high	1 Å²	1	69.9 Å²	69.9	1%	0.005	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	134	175.1	-55.3	178.9	0	0	0	109.2	V193 A200 M202 Y248 A251 S262	V193-L265 HydrophobicContact CG2-CD1 4.43Å; V193-L265 HydrophobicContact CG2-CD2 4.45Å; A200-L265 HydrophobicContact CB-CD2 4.1Å; A200-L265 WeakPolarHBondContact O-CA 3.36Å; M202-L265 HydrophobicContact CE-CD2 4.06Å; Y248-L265 HydrophobicContact CD2-CB 4.37Å; Y248-L265 HydrophobicContact CE2-CB 4.01Å; A251-L265 HydrophobicContact CB-CD1 3.8Å; A251-L265 HydrophobicContact CB-CD2 4.49Å; S262-L265 WeakPolarHBondContact O-CB 3.27Å; S262-L265 PolarHBondContact O-N 3.02Å
266	R	97.6	Very high	91.2	Very high	119 Å²	119	70.1 Å²	70.1	45%	0.449	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	122.8	-175.9	-65.7	-71.2	173.2	-96	-1.3	109.8	A200 N201 M202 S263	A200-R266 PolarHBondContact O-N 3.39Å; N201-R266 WeakPolarHBondContact CA-O 3.39Å; N201-R266 WeakPolarHBondContact OD1-CB 3.43Å; M202-R266 PolarHBondContact N-O 3.15Å; S263-R266 PolarHBondContact O-NH1 3.11Å; S263-R266 PolarHBondContact O-NH2 3.29Å
267	P	97.5	Very high	90.9	Very high	61 Å²	61	71.8 Å²	71.8	40%	0.396	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	138.2	178	29.6	-32.5	0	0	0	110.7	M202 H204 Y248	M202-P267 CarbonylContact O-C 3.41Å; M202-P267 WeakPolarHBondContact O-CA 3.35Å; H204-P267 HydrophobicContact CB-CB 3.62Å; Y248-P267 HydrophobicContact CD1-CB 3.96Å; Y248-P267 HydrophobicContact CD2-CB 3.94Å; Y248-P267 HydrophobicContact CE1-CB 4.17Å; Y248-P267 HydrophobicContact CE1-CG 4.42Å; Y248-P267 HydrophobicContact CE2-CB 4.15Å; Y248-P267 HydrophobicContact CE2-CG 4.27Å; Y248-P267 HydrophobicContact CG-CB 3.84Å
268	I	95.9	Very high	90.6	Very high	69 Å²	69	74.8 Å²	74.8	35%	0.354	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	112.9	164.7	-63.5	-178.6	0	0	0	107.7	N201 M202 H204	N201-I268 HydrophobicContact CB-CD1 3.57Å; N201-I268 HydrophobicContact CB-CG1 4.03Å; M202-I268 PolarHBondContact O-N 3.02Å; H204-I268 WeakPolarHBondContact CA-O 3.45Å; H204-I268 PolarHBondContact N-O 2.78Å
269	T	94.9	Very high	90.6	Very high	92 Å²	92	73.6 Å²	73.6	56%	0.564	42%	0.424	S	S	*	.			trans	-90.3	-16.1	-177.8	50	0	0	0	0	113.8	W205	W205-T269 VanDerWaalsContact CB-O 3.23Å; W205-T269 WeakPolarHBondContact CB-O 3.48Å
270	D	91.1	Very high	90.6	Very high	122 Å²	122	75.6 Å²	75.6	65%	0.652	42%	0.421	S	S	*	.	S	Bend	trans	-78.3	140.5	179.1	-60.6	-42.6	0	0	0	111
271	S	85.4	Confident	90.8	Very high	69 Å²	69	74.6 Å²	74.6	48%	0.483	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-69.6	137.7	171.3	-174.8	0	0	0	0	110.3	V273	S271-V273 PolarHBondContact O-N 3.08Å
272	P	81.2	Confident	90.9	Very high	63 Å²	63	71.6 Å²	71.6	41%	0.409	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-56.1	130.5	173.4	-23.7	30.3	0	0	0	111.7
273	V	77.6	Confident	91	Very high	144 Å²	144	72 Å²	72	87%	0.873	39%	0.393	S	S	*	.	S	Bend	trans	-81.6	-22.5	173.5	-176.3	0	0	0	0	111.6	S271	S271-V273 PolarHBondContact O-N 3.08Å
274	L	78.6	Confident	91.1	Very high	152 Å²	152	68 Å²	68	80%	0.796	37%	0.365	S	S	*	.	S	Bend	trans	-117.6	147.3	-175.6	-62.9	175.1	0	0	0	111.7
275	G	79.3	Confident	91.2	Very high	58 Å²	58	69 Å²	69	60%	0.598	37%	0.37	S	S	*	.	S	Bend	trans	88.8	-173.3	179.2	0	0	0	0	0	113.6	Q277	G275-Q277 PolarHBondContact O-N 3.31Å
276	A	80.2	Confident	91.3	Very high	5 Å²	5	69.2 Å²	69.2	4%	0.041	37%	0.372	C	S	.	.	S	Bend	trans	-56.9	126.3	-178	0	0	0	0	0	112.2	P88 E92 N146	P88-A276 HydrophobicContact CB-CB 3.85Å; E92-A276 WeakPolarHBondContact OE1-CA 3.45Å; E92-A276 WeakPolarHBondContact OE1-CB 3.41Å; E92-A276 PolarHBondContact OE2-N 3.48Å; N146-A276 HydrophobicContact CB-CB 4.21Å
277	Q	89.5	Confident	91.3	Very high	127 Å²	127	65.3 Å²	65.3	59%	0.593	36%	0.363	S	S	*	.			trans	-61.8	143.8	173.1	-68.4	-167.6	-20.5	0	0	110.3	L145 N146 G275	L145-Q277 HydrophobicContact CB-CB 3.97Å; N146-Q277 WeakPolarHBondContact CB-O 3.49Å; N146-Q277 PolarHBondContact ND2-O 3.46Å; G275-Q277 PolarHBondContact O-N 3.31Å
278	R	91.1	Very high	91.3	Very high	63 Å²	63	66.2 Å²	66.2	24%	0.238	36%	0.36	C	S	.	.			trans	-125.6	145.2	-179.3	-56.2	-173.1	178.5	96.7	5.2	109.6	D89 Y127 W205 Q206	D89-R278 IonicContact OD1-NH2 3.61Å; Y127-R278 HydrophobicContact CE2-CG 4.44Å; W205-R278 HydrophobicContact CH2-CB 4.07Å; W205-R278 VanDerWaalsContact CH2-O 3.27Å; W205-R278 WeakPolarHBondContact CH2-O 3.5Å; W205-R278 HydrophobicContact CZ2-CB 4.05Å; Q206-R278 VanDerWaalsContact OE1-CD 3.3Å
279	P	93.7	Very high	91.5	Very high	1 Å²	1	63 Å²	63	1%	0.006	34%	0.344	C	S	.	.			trans	-67	136.4	175.2	26.9	-34	0	0	0	109.8	Y127 D130 L145 Q206 N281 A282	Y127-P279 HydrophobicContact CD1-CG 3.91Å; Y127-P279 HydrophobicContact CE1-CG 3.97Å; Y127-P279 HydrophobicContact CG-CG 4.49Å; D130-P279 VanDerWaalsContact C-CB 3.49Å; D130-P279 VanDerWaalsContact O-CA 3.31Å; D130-P279 WeakPolarHBondContact O-CA 3.37Å; D130-P279 VanDerWaalsContact O-CB 3.27Å; D130-P279 WeakPolarHBondContact O-CB 3.39Å; L145-P279 HydrophobicContact CD1-CB 4.47Å; Q206-P279 VanDerWaalsContact CG-O 3.32Å; Q206-P279 WeakPolarHBondContact CG-O 3.41Å; Q206-P279 PolarHBondContact NE2-O 3.23Å; P279-N281 VanDerWaalsContact C-N 3.33Å; P279-N281 PolarHBondContact O-N 3.49Å; P279-A282 HydrophobicContact CB-CB 4Å; P279-A282 HydrophobicContact CG-CB 3.8Å
280	R	95	Very high	91.6	Very high	176 Å²	176	62.7 Å²	62.7	66%	0.664	34%	0.336	S	S	*	.	S	Bend	trans	-63	-41.6	179.3	-176.6	174.7	-179.4	163.3	0	111.6	W205 Q207	W205-R280 HydrophobicContact CE3-CB 4.37Å; W205-R280 HydrophobicContact CE3-CG 4.16Å; W205-R280 HydrophobicContact CZ3-CB 3.9Å; W205-R280 HydrophobicContact CZ3-CG 4.21Å; Q207-R280 PolarHBondContact N-O 2.87Å
281	N	97.1	Very high	91.9	Very high	25 Å²	25	62.7 Å²	62.7	13%	0.134	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-150.7	105.9	175.6	-179.2	3	0	0	0	109.9	G131 P134 Q207 P279 Q283	G131-N281 CarbonylContact C-O 3.53Å; G131-N281 WeakPolarHBondContact CA-O 3.29Å; P134-N281 HydrophobicContact CG-CB 4Å; Q207-N281 HydrophobicContact CB-CB 3.92Å; Q207-N281 HydrophobicContact CG-CB 4.32Å; P279-N281 VanDerWaalsContact C-N 3.33Å; P279-N281 PolarHBondContact O-N 3.49Å; N281-Q283 WeakPolarHBondContact OD1-CB 3.32Å; N281-Q283 PolarHBondContact OD1-N 2.92Å
282	A	96.9	Very high	92.5	Very high	4 Å²	4	61.9 Å²	61.9	3%	0.033	33%	0.331	C	S	.	.			trans	-103.3	42.2	176.8	0	0	0	0	0	112	D126 P279 L284	D126-A282 HydrophobicContact CB-CB 3.96Å; P279-A282 HydrophobicContact CB-CB 4Å; P279-A282 HydrophobicContact CG-CB 3.8Å; A282-L284 PolarHBondContact O-N 3.27Å
283	Q	98.4	Very high	93.3	Very high	61 Å²	61	61.7 Å²	61.7	29%	0.285	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-54.1	130.4	177.5	-174.5	174.8	0.7	0	0	111	P134 P135 Y136 F209 N281	P134-Q283 HydrophobicContact CB-CB 3.87Å; P135-Q283 CarbonylContact C-O 3.55Å; P135-Q283 WeakPolarHBondContact CA-O 3.32Å; P135-Q283 HydrophobicContact CB-CB 4.37Å; P135-Q283 HydrophobicContact CB-CG 4Å; Y136-Q283 WeakPolarHBondContact CD2-O 3.27Å; Y136-Q283 PolarHBondContact N-O 2.92Å; F209-Q283 HydrophobicContact CD2-CB 4.17Å; F209-Q283 HydrophobicContact CD2-CG 4.28Å; F209-Q283 HydrophobicContact CE1-CG 4.02Å; F209-Q283 HydrophobicContact CE2-CB 3.41Å; F209-Q283 VanDerWaalsContact CE2-CB 3.41Å; F209-Q283 HydrophobicContact CE2-CG 3.59Å; F209-Q283 HydrophobicContact CZ-CB 3.74Å; F209-Q283 VanDerWaalsContact CZ-CD 3.43Å; F209-Q283 HydrophobicContact CZ-CG 3.43Å; F209-Q283 VanDerWaalsContact CZ-CG 3.43Å; N281-Q283 WeakPolarHBondContact OD1-CB 3.32Å; N281-Q283 PolarHBondContact OD1-N 2.92Å
284	L	98.7	Very high	94.2	Very high	7 Å²	7	55 Å²	55	4%	0.037	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-98.5	132.4	176.9	-58	178.9	0	0	0	110.2	D126 F129 R170 H238 A282	D126-L284 HydrophobicContact CB-CD1 4.15Å; D126-L284 HydrophobicContact CB-CD2 4.1Å; D126-L284 HydrophobicContact CB-CG 4.15Å; F129-L284 HydrophobicContact CD2-CD2 3.86Å; F129-L284 HydrophobicContact CE2-CD2 3.62Å; R170-L284 HydrophobicContact CB-CD1 4.2Å; R170-L284 WeakPolarHBondContact O-CD1 3.15Å; H238-L284 HydrophobicContact CB-CB 3.97Å; H238-L284 HydrophobicContact CB-CD1 4.29Å; A282-L284 PolarHBondContact O-N 3.27Å
285	D	98.6	Very high	95.1	Very high	30 Å²	30	49 Å²	49	16%	0.16	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-72.9	123.5	163.8	-172.9	-25.3	0	0	0	108.4	P135 Y136 R137 H238 S287	P135-D285 HydrophobicContact CB-CB 4.37Å; Y136-D285 WeakPolarHBondContact O-CB 3.37Å; Y136-D285 PolarHBondContact O-N 3.34Å; R137-D285 HydrophobicContact CG-CB 4.22Å; R137-D285 IonicContact CZ-OD2 2.82Å; R137-D285 IonicContact NE-OD2 3.5Å; R137-D285 IonicContact NH2-OD2 3.98Å; H238-D285 WeakPolarHBondContact CB-O 3.49Å; H238-D285 PolarHBondContact ND1-O 3.02Å; D285-S287 WeakPolarHBondContact OD1-CB 3.27Å; D285-S287 PolarHBondContact OD1-N 3.47Å; D285-S287 PolarHBondContact OD1-OG 3.4Å
286	C	98.6	Very high	95.8	Very high	6 Å²	6	49.9 Å²	49.9	4%	0.041	26%	0.263	C	S	.	.			trans	-105.4	6.1	-178	-57.9	0	0	0	0	112.9	W239 S240 K288 L289 E290	W239-C286 HydrophobicContact CE3-CB 3.96Å; W239-C286 HydrophobicContact CZ3-CB 4.04Å; S240-C286 PolarHBondContact N-SG 3.18Å; S240-C286 PolarHBondContact OG-SG 3.3Å; S240-C286 VanDerWaalsContact OG-SG 3.35Å; C286-K288 PolarHBondContact O-N 3.27Å; C286-K288 VanDerWaalsContact O-N 3.13Å; C286-L289 PolarHBondContact O-N 3.42Å; C286-L289 VanDerWaalsContact O-N 3.16Å; C286-E290 WeakPolarHBondContact O-CG 3.44Å; C286-E290 PolarHBondContact O-N 3.18Å; C286-E290 VanDerWaalsContact O-N 3.16Å
287	S	98.3	Very high	96.6	Very high	37 Å²	37	53.6 Å²	53.6	26%	0.259	28%	0.276	S	S	.	.	H	α-helix	trans	-58.7	-29.4	-170.9	56.2	0	0	0	0	113.4	D285 E290 T291	D285-S287 WeakPolarHBondContact OD1-CB 3.27Å; D285-S287 PolarHBondContact OD1-N 3.47Å; D285-S287 PolarHBondContact OD1-OG 3.4Å; S287-E290 PolarHBondContact O-N 3.45Å; S287-T291 WeakPolarHBondContact O-CB 3.41Å; S287-T291 PolarHBondContact O-N 3.41Å; S287-T291 PolarHBondContact O-OG1 2.85Å
288	K	98.3	Very high	97.1	Very high	80 Å²	80	48.9 Å²	48.9	35%	0.348	26%	0.256	S	S	.	.	H	α-helix	trans	-62.4	-47.4	177.5	-171.2	177.8	-178.7	-176.7	0	112.4	E138 T236 F237 C286 L292	E138-K288 HydrophobicContact CG-CD 4.23Å; E138-K288 WeakPolarHBondContact OE1-CB 3.48Å; T236-K288 PolarHBondContact O-NZ 2.98Å; F237-K288 HydrophobicContact CD1-CD 3.86Å; F237-K288 HydrophobicContact CD1-CG 4.13Å; F237-K288 HydrophobicContact CE1-CD 4.02Å; F237-K288 HydrophobicContact CE1-CG 4.22Å; C286-K288 PolarHBondContact O-N 3.27Å; C286-K288 VanDerWaalsContact O-N 3.13Å; K288-L292 WeakPolarHBondContact O-CG 3.33Å; K288-L292 PolarHBondContact O-N 3.29Å
289	L	98.4	Very high	97.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-71.2	-39.7	176.1	-74.4	-173.7	0	0	0	111.6	L169 V219 L223 F237 H238 W239 C286 T291 L292 G293 I294	L169-L289 HydrophobicContact CD1-CD1 3.95Å; V219-L289 HydrophobicContact CG1-CD1 3.66Å; L223-L289 HydrophobicContact CD1-CD2 4.16Å; F237-L289 HydrophobicContact CB-CD1 4.1Å; F237-L289 HydrophobicContact CB-CD2 3.96Å; F237-L289 HydrophobicContact CB-CG 3.99Å; F237-L289 HydrophobicContact CD1-CD2 3.34Å; F237-L289 HydrophobicContact CD1-CG 3.94Å; F237-L289 HydrophobicContact CE1-CD2 3.99Å; F237-L289 HydrophobicContact CG-CD2 3.78Å; F237-L289 HydrophobicContact CG-CG 4.3Å; H238-L289 WeakPolarHBondContact O-CD1 3.4Å; W239-L289 HydrophobicContact CB-CD1 4.23Å; W239-L289 HydrophobicContact CE3-CB 4.13Å; W239-L289 HydrophobicContact CE3-CD1 4.02Å; W239-L289 HydrophobicContact CZ3-CB 4.29Å; C286-L289 PolarHBondContact O-N 3.42Å; C286-L289 VanDerWaalsContact O-N 3.16Å; L289-T291 VanDerWaalsContact C-N 3.3Å; L289-T291 PolarHBondContact O-N 3.48Å; L289-L292 HydrophobicContact CD2-CD1 4.36Å; L289-L292 WeakPolarHBondContact O-CA 3.46Å; L289-L292 WeakPolarHBondContact O-CB 3.47Å; L289-L292 PolarHBondContact O-N 2.84Å; L289-G293 PolarHBondContact O-N 2.71Å; L289-I294 CarbonylContact C-O 3.59Å; L289-I294 VanDerWaalsContact C-O 3.27Å; L289-I294 HydrophobicContact CB-CB 4.14Å; L289-I294 HydrophobicContact CB-CG2 4.27Å; L289-I294 HydrophobicContact CD1-CG2 4.29Å; L289-I294 HydrophobicContact CD2-CB 4.23Å; L289-I294 HydrophobicContact CD2-CD1 3.86Å; L289-I294 HydrophobicContact CD2-CG2 4.12Å; L289-I294 HydrophobicContact CG-CG2 4.48Å; L289-I294 WeakPolarHBondContact O-CB 3.44Å; L289-I294 PolarHBondContact O-N 2.94Å; L289-I294 VanDerWaalsContact O-O 3.11Å
290	E	98.1	Very high	97.6	Very high	86 Å²	86	49 Å²	49	40%	0.402	26%	0.264	S	S	.	.	H	α-helix	trans	-59.6	-41.7	177.4	-66.4	173.8	159.2	0	0	111.6	W239 C286 S287 L292 G293 R297	W239-E290 HydrophobicContact CH2-CG 4.27Å; W239-E290 HydrophobicContact CZ3-CG 3.9Å; C286-E290 WeakPolarHBondContact O-CG 3.44Å; C286-E290 PolarHBondContact O-N 3.18Å; C286-E290 VanDerWaalsContact O-N 3.16Å; S287-E290 PolarHBondContact O-N 3.45Å; E290-L292 PolarHBondContact O-N 3.2Å; E290-G293 WeakPolarHBondContact O-CA 3.46Å; E290-G293 PolarHBondContact O-N 3.43Å; E290-R297 IonicContact OE1-CZ 2.82Å; E290-R297 IonicContact OE1-NH1 3.44Å; E290-R297 PolarHBondContact OE1-NH1 3.44Å; E290-R297 IonicContact OE1-NH2 2.88Å; E290-R297 PolarHBondContact OE1-NH2 3.4Å
291	T	97.6	Very high	97.7	Very high	122 Å²	122	46.1 Å²	46.1	75%	0.748	25%	0.254	S	S	*	.	H	α-helix	trans	-62	-29.6	175.4	-56.5	0	0	0	0	112.4	S287 L289 G293	S287-T291 WeakPolarHBondContact O-CB 3.41Å; S287-T291 PolarHBondContact O-N 3.41Å; S287-T291 PolarHBondContact O-OG1 2.85Å; L289-T291 VanDerWaalsContact C-N 3.3Å; L289-T291 PolarHBondContact O-N 3.48Å; T291-G293 PolarHBondContact O-N 2.94Å
292	L	96.9	Very high	97.7	Very high	53 Å²	53	49.3 Å²	49.3	28%	0.277	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-1.2	174.7	-65.2	171.8	0	0	0	113.1	K226 I233 F237 K288 L289 E290 I294	K226-L292 VanDerWaalsContact CE-O 3.26Å; K226-L292 WeakPolarHBondContact CE-O 3.41Å; K226-L292 PolarHBondContact NZ-O 3.32Å; I233-L292 HydrophobicContact CD1-CD1 3.94Å; I233-L292 HydrophobicContact CD1-CD2 3.87Å; F237-L292 HydrophobicContact CE1-CD1 3.98Å; K288-L292 WeakPolarHBondContact O-CG 3.33Å; K288-L292 PolarHBondContact O-N 3.29Å; L289-L292 HydrophobicContact CD2-CD1 4.36Å; L289-L292 WeakPolarHBondContact O-CA 3.46Å; L289-L292 WeakPolarHBondContact O-CB 3.47Å; L289-L292 PolarHBondContact O-N 2.84Å; E290-L292 PolarHBondContact O-N 3.2Å; L292-I294 VanDerWaalsContact C-N 3.26Å; L292-I294 HydrophobicContact CB-CD1 3.92Å; L292-I294 HydrophobicContact CB-CG1 4.02Å; L292-I294 HydrophobicContact CD1-CD1 4.16Å
293	G	97.7	Very high	97.7	Very high	59 Å²	59	49.1 Å²	49.1	61%	0.608	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	23	-171.3	0	0	0	0	0	112.9	L289 E290 T291	L289-G293 PolarHBondContact O-N 2.71Å; E290-G293 WeakPolarHBondContact O-CA 3.46Å; E290-G293 PolarHBondContact O-N 3.43Å; T291-G293 PolarHBondContact O-N 2.94Å
294	I	98	Very high	97.6	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.015	25%	0.254	C	S	.	.			trans	-100.3	128.6	177.5	-60.9	171.6	0	0	0	108.2	V219 Q222 L223 K226 L289 L292	V219-I294 HydrophobicContact CB-CG2 4.32Å; V219-I294 HydrophobicContact CG1-CG2 3.95Å; V219-I294 HydrophobicContact CG2-CG2 4.15Å; Q222-I294 HydrophobicContact CB-CB 4.45Å; Q222-I294 HydrophobicContact CB-CG1 4.17Å; Q222-I294 HydrophobicContact CB-CG2 3.91Å; L223-I294 HydrophobicContact CB-CD1 4.34Å; L223-I294 HydrophobicContact CD1-CD1 3.9Å; K226-I294 HydrophobicContact CB-CD1 4.26Å; K226-I294 HydrophobicContact CG-CD1 3.95Å; K226-I294 HydrophobicContact CG-CG1 4.07Å; L289-I294 CarbonylContact C-O 3.59Å; L289-I294 VanDerWaalsContact C-O 3.27Å; L289-I294 HydrophobicContact CB-CB 4.14Å; L289-I294 HydrophobicContact CB-CG2 4.27Å; L289-I294 HydrophobicContact CD1-CG2 4.29Å; L289-I294 HydrophobicContact CD2-CB 4.23Å; L289-I294 HydrophobicContact CD2-CD1 3.86Å; L289-I294 HydrophobicContact CD2-CG2 4.12Å; L289-I294 HydrophobicContact CG-CG2 4.48Å; L289-I294 WeakPolarHBondContact O-CB 3.44Å; L289-I294 PolarHBondContact O-N 2.94Å; L289-I294 VanDerWaalsContact O-O 3.11Å; L292-I294 VanDerWaalsContact C-N 3.26Å; L292-I294 HydrophobicContact CB-CD1 3.92Å; L292-I294 HydrophobicContact CB-CG1 4.02Å; L292-I294 HydrophobicContact CD1-CD1 4.16Å
295	G	96.1	Very high	97.5	Very high	27 Å²	27	49.1 Å²	49.1	28%	0.278	27%	0.267	S	S	.	.			trans	155.2	152.1	176.6	0	0	0	0	0	114.9	W239	W239-G295 VanDerWaalsContact CZ2-CA 3.43Å
296	Q	95.4	Very high	97.2	Very high	76 Å²	76	52.2 Å²	52.2	36%	0.355	28%	0.28	S	S	.	.			trans	-154.6	137.6	167.3	-173.1	-177.7	-61.5	0	0	108.9	D215 T218 W239	D215-Q296 HydrophobicContact CB-CB 4.45Å; D215-Q296 VanDerWaalsContact CB-O 3.25Å; D215-Q296 WeakPolarHBondContact CB-O 3.08Å; D215-Q296 PolarHBondContact OD1-NE2 3.19Å; T218-Q296 HydrophobicContact CG2-CB 4.18Å; T218-Q296 PolarHBondContact OG1-OE1 2.92Å; W239-Q296 WeakPolarHBondContact CZ2-O 3.48Å; W239-Q296 PolarHBondContact NE1-O 3.3Å
297	R	97.3	Very high	97.1	Very high	82 Å²	82	52.1 Å²	52.1	31%	0.309	28%	0.28	S	S	.	.			trans	-129.9	116.6	173.7	-64.7	-168.9	178.9	103	-0.9	110.6	D215 W239 S240 N242 E290	D215-R297 WeakPolarHBondContact OD2-CA 3.45Å; W239-R297 HydrophobicContact CZ2-CG 3.86Å; S240-R297 PolarHBondContact O-NE 2.76Å; N242-R297 WeakPolarHBondContact OD1-CD 3.46Å; E290-R297 IonicContact OE1-CZ 2.82Å; E290-R297 IonicContact OE1-NH1 3.44Å; E290-R297 PolarHBondContact OE1-NH1 3.44Å; E290-R297 IonicContact OE1-NH2 2.88Å; E290-R297 PolarHBondContact OE1-NH2 3.4Å
298	T	98.1	Very high	97	Very high	29 Å²	29	50.3 Å²	50.3	18%	0.178	27%	0.267	C	S	.	.			trans	-87.3	122.8	171.1	-60.2	0	0	0	0	108.6	D215 F300 I302	D215-T298 PolarHBondContact OD1-N 2.91Å; D215-T298 PolarHBondContact OD1-OG1 2.85Å; D215-T298 WeakPolarHBondContact OD2-CB 3.11Å; D215-T298 PolarHBondContact OD2-N 2.72Å; D215-T298 PolarHBondContact OD2-OG1 2.9Å; T298-F300 PolarHBondContact O-N 2.71Å; T298-I302 HydrophobicContact CG2-CB 4.42Å; T298-I302 HydrophobicContact CG2-CG2 4.4Å
299	P	98.1	Very high	96.8	Very high	63 Å²	63	54 Å²	54	41%	0.409	28%	0.279	S	S	.	.			trans	-54.9	134.6	174.4	-26.8	35.2	0	0	0	111.6	E243 R301 I302 G303	E243-P299 VanDerWaalsContact OE1-CA 3.29Å; E243-P299 WeakPolarHBondContact OE1-CA 3.45Å; P299-R301 VanDerWaalsContact C-N 3.29Å; P299-R301 PolarHBondContact O-N 3.4Å; P299-I302 HydrophobicContact CB-CB 4.5Å; P299-I302 HydrophobicContact CB-CD1 4.1Å; P299-I302 HydrophobicContact CB-CG1 4.2Å; P299-I302 HydrophobicContact CG-CD1 3.95Å; P299-I302 WeakPolarHBondContact O-CA 3.32Å; P299-I302 WeakPolarHBondContact O-CB 3.4Å; P299-I302 PolarHBondContact O-N 2.71Å; P299-G303 PolarHBondContact O-N 2.83Å
300	F	98.3	Very high	96.5	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.009	30%	0.3	C	S	.	.	H	α-helix	trans	-51.6	-48.6	-172.3	178.9	-100.4	0	0	0	111.8	Y175 V186 P210 E243 M245 M250 A253 I254 T298 I302 G303 I304	Y175-F300 HydrophobicContact CD1-CE2 4.44Å; Y175-F300 AromaticContact CE1-CD2 3.9Å; Y175-F300 HydrophobicContact CE1-CD2 3.9Å; Y175-F300 HydrophobicContact CE1-CE2 4.28Å; Y175-F300 HydrophobicContact CE2-CD2 4.18Å; Y175-F300 HydrophobicContact CE2-CE2 4.33Å; Y175-F300 AromaticContact CZ-CD2 3.74Å; Y175-F300 WeakPolarHBondContact OH-CA 3.43Å; V186-F300 HydrophobicContact CG1-CE2 3.85Å; V186-F300 HydrophobicContact CG1-CZ 3.93Å; P210-F300 HydrophobicContact CB-CD2 3.8Å; P210-F300 HydrophobicContact CB-CE2 3.8Å; P210-F300 HydrophobicContact CG-CD2 3.53Å; P210-F300 HydrophobicContact CG-CE2 3.84Å; P210-F300 HydrophobicContact CG-CG 4.35Å; E243-F300 PolarHBondContact OE1-N 2.9Å; M245-F300 HydrophobicContact CE-CB 3.78Å; M245-F300 HydrophobicContact CE-CD1 3.76Å; M245-F300 HydrophobicContact CE-CG 3.84Å; M245-F300 HydrophobicContact SD-CD1 3.83Å; M245-F300 HydrophobicContact SD-CD2 4.48Å; M245-F300 HydrophobicContact SD-CE1 4.12Å; M245-F300 HydrophobicContact SD-CG 4.02Å; M250-F300 HydrophobicContact CB-CE1 4.42Å; M250-F300 HydrophobicContact CB-CZ 3.95Å; M250-F300 HydrophobicContact CG-CE2 4.33Å; M250-F300 HydrophobicContact CG-CZ 4.05Å; A253-F300 HydrophobicContact CB-CD1 3.93Å; A253-F300 HydrophobicContact CB-CE1 3.77Å; I254-F300 HydrophobicContact CD1-CZ 4.43Å; I254-F300 HydrophobicContact CG1-CE1 4.19Å; I254-F300 HydrophobicContact CG1-CZ 4.18Å; T298-F300 PolarHBondContact O-N 2.71Å; F300-I302 VanDerWaalsContact C-N 3.26Å; F300-I302 PolarHBondContact O-N 2.91Å; F300-G303 PolarHBondContact O-N 2.7Å; F300-I304 HydrophobicContact CD1-CG2 4.26Å; F300-I304 HydrophobicContact CE1-CB 4.27Å; F300-I304 HydrophobicContact CE1-CG1 4.38Å; F300-I304 HydrophobicContact CE1-CG2 4Å; F300-I304 HydrophobicContact CE2-CB 4.36Å; F300-I304 HydrophobicContact CE2-CG1 4.39Å; F300-I304 HydrophobicContact CZ-CB 4.13Å; F300-I304 HydrophobicContact CZ-CD1 4.45Å; F300-I304 HydrophobicContact CZ-CG1 3.95Å; F300-I304 HydrophobicContact CZ-CG2 4.36Å; F300-I304 VanDerWaalsContact O-CB 3.27Å; F300-I304 WeakPolarHBondContact O-CB 3.4Å; F300-I304 WeakPolarHBondContact O-CG2 3.23Å; F300-I304 PolarHBondContact O-N 2.82Å
301	R	96.9	Very high	96.3	Very high	116 Å²	116	55.8 Å²	55.8	44%	0.438	29%	0.293	S	S	.	.	H	α-helix	trans	-57.8	-36.8	179.4	-168.2	177.5	-172.5	-94	-0	112.9	D256 A257 P299 K305	D256-R301 PolarHBondContact O-NH2 2.69Å; D256-R301 IonicContact OD2-CZ 3.29Å; D256-R301 IonicContact OD2-NE 3.83Å; D256-R301 PolarHBondContact OD2-NE 3.18Å; D256-R301 IonicContact OD2-NH2 3.82Å; D256-R301 PolarHBondContact OD2-NH2 3.26Å; A257-R301 HydrophobicContact CB-CG 3.84Å; P299-R301 VanDerWaalsContact C-N 3.29Å; P299-R301 PolarHBondContact O-N 3.4Å; R301-K305 VanDerWaalsContact O-CB 3.29Å; R301-K305 WeakPolarHBondContact O-CB 3.01Å; R301-K305 PolarHBondContact O-N 3.36Å
302	I	96.6	Very high	95.9	Very high	92 Å²	92	51.7 Å²	51.7	47%	0.472	27%	0.266	S	S	.	.	H	α-helix	trans	-73.3	-55.6	178.4	-61.9	179.1	0	0	0	109.3	T298 P299 F300 I304 K305 E306	T298-I302 HydrophobicContact CG2-CB 4.42Å; T298-I302 HydrophobicContact CG2-CG2 4.4Å; P299-I302 HydrophobicContact CB-CB 4.5Å; P299-I302 HydrophobicContact CB-CD1 4.1Å; P299-I302 HydrophobicContact CB-CG1 4.2Å; P299-I302 HydrophobicContact CG-CD1 3.95Å; P299-I302 WeakPolarHBondContact O-CA 3.32Å; P299-I302 WeakPolarHBondContact O-CB 3.4Å; P299-I302 PolarHBondContact O-N 2.71Å; F300-I302 VanDerWaalsContact C-N 3.26Å; F300-I302 PolarHBondContact O-N 2.91Å; I302-I304 VanDerWaalsContact C-N 3.31Å; I302-I304 PolarHBondContact O-N 2.85Å; I302-K305 PolarHBondContact O-N 2.78Å; I302-E306 PolarHBondContact O-N 2.92Å; I302-E306 VanDerWaalsContact O-N 3.1Å
303	G	97.1	Very high	95.2	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.2	-40.5	-176.6	0	0	0	0	0	112.5	P299 F300 K305 E306 S307	P299-G303 PolarHBondContact O-N 2.83Å; F300-G303 PolarHBondContact O-N 2.7Å; G303-K305 VanDerWaalsContact C-N 3.34Å; G303-K305 PolarHBondContact O-N 2.75Å; G303-E306 PolarHBondContact O-N 3.09Å; G303-S307 WeakPolarHBondContact O-CB 3.4Å; G303-S307 PolarHBondContact O-N 2.94Å; G303-S307 PolarHBondContact O-OG 2.63Å
304	I	96.9	Very high	94.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-73.3	-31.8	-176.4	-157.8	54.9	0	0	0	111.4	Y175 V186 T187 I254 A257 F300 I302 S307 L308	Y175-I304 HydrophobicContact CD2-CB 4.35Å; Y175-I304 HydrophobicContact CD2-CD1 3.61Å; Y175-I304 HydrophobicContact CE2-CB 4.05Å; Y175-I304 HydrophobicContact CE2-CD1 4.2Å; Y175-I304 HydrophobicContact CG-CD1 4.38Å; V186-I304 HydrophobicContact CG1-CD1 3.85Å; T187-I304 HydrophobicContact CG2-CD1 4.35Å; I254-I304 HydrophobicContact CD1-CD1 4.49Å; I254-I304 HydrophobicContact CD1-CG1 4.08Å; I254-I304 HydrophobicContact CG1-CG1 3.63Å; I254-I304 HydrophobicContact CG1-CG2 4.31Å; A257-I304 HydrophobicContact CB-CG2 4.32Å; F300-I304 HydrophobicContact CD1-CG2 4.26Å; F300-I304 HydrophobicContact CE1-CB 4.27Å; F300-I304 HydrophobicContact CE1-CG1 4.38Å; F300-I304 HydrophobicContact CE1-CG2 4Å; F300-I304 HydrophobicContact CE2-CB 4.36Å; F300-I304 HydrophobicContact CE2-CG1 4.39Å; F300-I304 HydrophobicContact CZ-CB 4.13Å; F300-I304 HydrophobicContact CZ-CD1 4.45Å; F300-I304 HydrophobicContact CZ-CG1 3.95Å; F300-I304 HydrophobicContact CZ-CG2 4.36Å; F300-I304 VanDerWaalsContact O-CB 3.27Å; F300-I304 WeakPolarHBondContact O-CB 3.4Å; F300-I304 WeakPolarHBondContact O-CG2 3.23Å; F300-I304 PolarHBondContact O-N 2.82Å; I302-I304 VanDerWaalsContact C-N 3.31Å; I302-I304 PolarHBondContact O-N 2.85Å; I304-S307 PolarHBondContact O-N 2.82Å; I304-L308 HydrophobicContact CD1-CD1 3.72Å; I304-L308 HydrophobicContact CD1-CG 4.05Å; I304-L308 HydrophobicContact CG1-CD1 3.66Å; I304-L308 HydrophobicContact CG1-CG 4.28Å; I304-L308 WeakPolarHBondContact O-CB 3.38Å; I304-L308 WeakPolarHBondContact O-CG 3.48Å; I304-L308 PolarHBondContact O-N 3.47Å
305	K	95.4	Very high	92.5	Very high	68 Å²	68	60.1 Å²	60.1	30%	0.296	29%	0.291	S	S	.	.	H	α-helix	trans	-66.5	-46.5	174.2	-170.3	174.5	-177.5	174.6	0	111.2	F258 R301 I302 G303 S307 L308 W309	F258-K305 HydrophobicContact CE1-CG 3.86Å; F258-K305 HydrophobicContact CZ-CB 4.29Å; F258-K305 HydrophobicContact CZ-CG 4Å; R301-K305 VanDerWaalsContact O-CB 3.29Å; R301-K305 WeakPolarHBondContact O-CB 3.01Å; R301-K305 PolarHBondContact O-N 3.36Å; I302-K305 PolarHBondContact O-N 2.78Å; G303-K305 VanDerWaalsContact C-N 3.34Å; G303-K305 PolarHBondContact O-N 2.75Å; K305-S307 PolarHBondContact O-N 3.07Å; K305-L308 PolarHBondContact O-N 2.73Å; K305-W309 WeakPolarHBondContact O-CB 3.49Å; K305-W309 PolarHBondContact O-N 3.1Å
306	E	94.1	Very high	90.7	Very high	95 Å²	95	67.8 Å²	67.8	44%	0.444	31%	0.311	S	S	.	.	H	α-helix	trans	-58.5	-36.7	172.9	-70.7	-174.5	-177.5	0	0	112.3	K214 I302 G303	K214-E306 IonicContact NZ-OE2 3.75Å; K214-E306 PolarHBondContact NZ-OE2 3.42Å; I302-E306 PolarHBondContact O-N 2.92Å; I302-E306 VanDerWaalsContact O-N 3.1Å; G303-E306 PolarHBondContact O-N 3.09Å
307	S	95.6	Very high	88.6	Confident	4 Å²	4	71.4 Å²	71.4	3%	0.028	32%	0.322	C	S	.	.	H	α-helix	trans	-72.7	-37.4	-178	-59.3	0	0	0	0	113.1	G176 G303 I304 K305	G176-S307 WeakPolarHBondContact CA-OG 3.3Å; G176-S307 VanDerWaalsContact O-CB 3.27Å; G176-S307 WeakPolarHBondContact O-CB 3.16Å; G176-S307 PolarHBondContact O-OG 2.83Å; G303-S307 WeakPolarHBondContact O-CB 3.4Å; G303-S307 PolarHBondContact O-N 2.94Å; G303-S307 PolarHBondContact O-OG 2.63Å; I304-S307 PolarHBondContact O-N 2.82Å; K305-S307 PolarHBondContact O-N 3.07Å
308	L	95.9	Very high	86.4	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-107.2	-14	-166.9	-65.5	178.7	0	0	0	114.6	L181 T187 F190 I254 F258 I304 K305 P310 F311	L181-L308 HydrophobicContact CD2-CD2 3.51Å; T187-L308 HydrophobicContact CG2-CD2 3.88Å; F190-L308 HydrophobicContact CB-CD1 3.87Å; F190-L308 HydrophobicContact CB-CD2 3.95Å; F190-L308 HydrophobicContact CD1-CB 3.98Å; F190-L308 HydrophobicContact CD1-CD1 4.2Å; F190-L308 HydrophobicContact CD1-CD2 3.88Å; F190-L308 HydrophobicContact CD1-CG 4.25Å; F190-L308 HydrophobicContact CD2-CB 4.44Å; F190-L308 HydrophobicContact CD2-CD1 3.65Å; F190-L308 HydrophobicContact CE1-CB 3.84Å; F190-L308 WeakPolarHBondContact CE1-O 3.14Å; F190-L308 HydrophobicContact CE2-CB 4.31Å; F190-L308 HydrophobicContact CE2-CD1 4.17Å; F190-L308 HydrophobicContact CG-CB 4.28Å; F190-L308 HydrophobicContact CG-CD1 3.66Å; F190-L308 HydrophobicContact CG-CD2 3.98Å; F190-L308 HydrophobicContact CG-CG 4.2Å; F190-L308 HydrophobicContact CZ-CB 4.02Å; I254-L308 HydrophobicContact CD1-CD1 4.35Å; I254-L308 HydrophobicContact CG1-CD1 4.38Å; I254-L308 HydrophobicContact CG2-CD1 3.94Å; F258-L308 HydrophobicContact CE2-CB 3.72Å; F258-L308 HydrophobicContact CE2-CD1 4.24Å; F258-L308 HydrophobicContact CZ-CB 3.64Å; I304-L308 HydrophobicContact CD1-CD1 3.72Å; I304-L308 HydrophobicContact CD1-CG 4.05Å; I304-L308 HydrophobicContact CG1-CD1 3.66Å; I304-L308 HydrophobicContact CG1-CG 4.28Å; I304-L308 WeakPolarHBondContact O-CB 3.38Å; I304-L308 WeakPolarHBondContact O-CG 3.48Å; I304-L308 PolarHBondContact O-N 3.47Å; K305-L308 PolarHBondContact O-N 2.73Å; L308-P310 VanDerWaalsContact C-N 3.27Å; L308-P310 VanDerWaalsContact O-N 3.16Å; L308-F311 WeakPolarHBondContact O-CB 3.33Å; L308-F311 PolarHBondContact O-N 2.61Å
309	W	93.4	Very high	84	Confident	156 Å²	156	80.9 Å²	80.9	59%	0.591	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-53	-34.7	178.2	85.5	-93.5	0	0	0	114.6	F258 K305 F311 L312	F258-W309 HydrophobicContact CE1-CB 4.36Å; K305-W309 WeakPolarHBondContact O-CB 3.49Å; K305-W309 PolarHBondContact O-N 3.1Å; W309-F311 PolarHBondContact O-N 2.86Å; W309-L312 PolarHBondContact O-N 2.93Å
310	P	93.6	Very high	81.5	Confident	68 Å²	68	82.6 Å²	82.6	44%	0.442	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-67.5	-20.9	178.7	-19.6	34.5	0	0	0	113.2	L308	L308-P310 VanDerWaalsContact C-N 3.27Å; L308-P310 VanDerWaalsContact O-N 3.16Å
311	F	93.3	Very high	78.9	Confident	57 Å²	57	86.6 Å²	86.6	25%	0.25	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-96.4	2.4	-177.1	-60	-88.8	0	0	0	112.9	V178 L181 F190 Q194 L308 W309 I313	V178-F311 HydrophobicContact CG2-CE2 3.73Å; V178-F311 HydrophobicContact CG2-CZ 3.93Å; V178-F311 WeakPolarHBondContact O-CZ 3.49Å; L181-F311 HydrophobicContact CD1-CD1 4.42Å; L181-F311 HydrophobicContact CD2-CB 4.09Å; L181-F311 HydrophobicContact CD2-CD1 3.83Å; L181-F311 HydrophobicContact CD2-CD2 3.92Å; L181-F311 HydrophobicContact CD2-CE1 4.24Å; L181-F311 HydrophobicContact CD2-CE2 4.31Å; L181-F311 HydrophobicContact CD2-CG 3.67Å; L181-F311 HydrophobicContact CD2-CZ 4.46Å; L181-F311 HydrophobicContact CG-CD1 3.87Å; L181-F311 HydrophobicContact CG-CE1 4.21Å; L181-F311 HydrophobicContact CG-CG 4.2Å; F190-F311 HydrophobicContact CD1-CB 3.9Å; F190-F311 HydrophobicContact CE1-CB 3.83Å; Q194-F311 PolarHBondContact NE2-O 2.73Å; Q194-F311 VanDerWaalsContact NE2-O 3.15Å; L308-F311 WeakPolarHBondContact O-CB 3.33Å; L308-F311 PolarHBondContact O-N 2.61Å; W309-F311 PolarHBondContact O-N 2.86Å; F311-I313 PolarHBondContact O-N 2.99Å
312	L	89.9	Confident	76.2	Confident	35 Å²	35	89.9 Å²	89.9	18%	0.183	41%	0.413	C	S	.	.			trans	-67.1	128.4	176.9	-125.2	110.6	0	0	0	110.9	F190 F258 W309 D314	F190-L312 HydrophobicContact CZ-CD1 3.78Å; F190-L312 HydrophobicContact CZ-CG 4.25Å; F258-L312 HydrophobicContact CB-CD1 4.41Å; F258-L312 HydrophobicContact CD1-CD1 3.04Å; F258-L312 HydrophobicContact CD1-CG 4.43Å; F258-L312 HydrophobicContact CD2-CD1 4.48Å; F258-L312 HydrophobicContact CE1-CD1 3.13Å; F258-L312 HydrophobicContact CG-CD1 3.76Å; F258-L312 HydrophobicContact CZ-CD1 3.95Å; W309-L312 PolarHBondContact O-N 2.93Å; L312-D314 HydrophobicContact CD2-CB 4.41Å; L312-D314 WeakPolarHBondContact CD2-O 3.38Å
313	I	82.5	Confident	73.3	Confident	102 Å²	102	97.3 Å²	97.3	52%	0.523	45%	0.445	S	S	.	.	S	Bend	trans	-70.1	-43.2	178.7	-62.8	168.1	0	0	0	110.3	Q194 F195 F311 K315	Q194-I313 HydrophobicContact CB-CD1 4.46Å; Q194-I313 VanDerWaalsContact OE1-N 3.09Å; F195-I313 HydrophobicContact CD1-CD1 4.34Å; F195-I313 HydrophobicContact CE1-CD1 3.4Å; F195-I313 VanDerWaalsContact CE1-CD1 3.4Å; F195-I313 HydrophobicContact CE2-CD1 3.94Å; F195-I313 HydrophobicContact CZ-CD1 3.17Å; F311-I313 PolarHBondContact O-N 2.99Å; I313-K315 PolarHBondContact O-N 3.18Å; I313-K315 VanDerWaalsContact O-N 3.14Å
314	D	75.1	Confident	72.2	Confident	69 Å²	69	102.2 Å²	102.2	37%	0.369	47%	0.467	S	S	.	.			trans	-80.1	97	177.7	-163.9	-20.2	0	0	0	110.8	L312 R316	L312-D314 HydrophobicContact CD2-CB 4.41Å; L312-D314 WeakPolarHBondContact CD2-O 3.38Å; D314-R316 VanDerWaalsContact CG-NE 3.33Å; D314-R316 PolarHBondContact O-N 2.94Å; D314-R316 WeakPolarHBondContact OD1-CB 3.5Å; D314-R316 WeakPolarHBondContact OD1-CG 3.33Å; D314-R316 IonicContact OD1-CZ 3.47Å; D314-R316 PolarHBondContact OD1-N 3.46Å; D314-R316 IonicContact OD1-NE 2.86Å; D314-R316 PolarHBondContact OD1-NE 2.84Å; D314-R316 IonicContact OD2-CZ 2.77Å; D314-R316 IonicContact OD2-NE 2.86Å; D314-R316 PolarHBondContact OD2-NE 2.66Å; D314-R316 IonicContact OD2-NH2 3.9Å; D314-R316 PolarHBondContact OD2-NH2 2.96Å
315	K	63.3	Low	70.8	Confident	122 Å²	122	107.6 Å²	107.6	53%	0.53	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-76	5	179.9	-68.7	177.7	178.6	176	0	113.7	I313 W317 R318	I313-K315 PolarHBondContact O-N 3.18Å; I313-K315 VanDerWaalsContact O-N 3.14Å; K315-W317 PolarHBondContact O-N 3.25Å; K315-R318 HydrophobicContact CB-CG 4.31Å; K315-R318 VanDerWaalsContact O-CB 3.32Å; K315-R318 WeakPolarHBondContact O-CB 3.47Å; K315-R318 WeakPolarHBondContact O-CG 3.42Å; K315-R318 PolarHBondContact O-N 2.82Å
316	R	58.7	Low	69.5	Low	188 Å²	188	109.8 Å²	109.8	71%	0.709	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-55.5	-25.6	178.6	-78.8	-178.8	-88.3	-170.5	-5	113.2	D314 R318 Q319	D314-R316 VanDerWaalsContact CG-NE 3.33Å; D314-R316 PolarHBondContact O-N 2.94Å; D314-R316 WeakPolarHBondContact OD1-CB 3.5Å; D314-R316 WeakPolarHBondContact OD1-CG 3.33Å; D314-R316 IonicContact OD1-CZ 3.47Å; D314-R316 PolarHBondContact OD1-N 3.46Å; D314-R316 IonicContact OD1-NE 2.86Å; D314-R316 PolarHBondContact OD1-NE 2.84Å; D314-R316 IonicContact OD2-CZ 2.77Å; D314-R316 IonicContact OD2-NE 2.86Å; D314-R316 PolarHBondContact OD2-NE 2.66Å; D314-R316 IonicContact OD2-NH2 3.9Å; D314-R316 PolarHBondContact OD2-NH2 2.96Å; R316-R318 PolarHBondContact O-N 3.06Å; R316-Q319 PolarHBondContact O-N 3.27Å
317	W	50.6	Low	68	Low	151 Å²	151	110.6 Å²	110.6	57%	0.572	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-66.6	-14	173.5	-127.5	83.8	0	0	0	115	K315 Q319 T320 V321	K315-W317 PolarHBondContact O-N 3.25Å; W317-Q319 PolarHBondContact O-N 3.5Å; W317-T320 PolarHBondContact O-N 2.82Å; W317-T320 PolarHBondContact O-OG1 2.7Å; W317-V321 HydrophobicContact CE3-CG2 3.39Å; W317-V321 HydrophobicContact CH2-CG2 4.16Å; W317-V321 HydrophobicContact CZ3-CG2 3.16Å
318	R	50.9	Low	66.3	Low	148 Å²	148	117.3 Å²	117.3	56%	0.558	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-67.6	-13	176.4	-68.5	-175.2	179.4	-164.7	-7.9	113.5	K315 R316	K315-R318 HydrophobicContact CB-CG 4.31Å; K315-R318 VanDerWaalsContact O-CB 3.32Å; K315-R318 WeakPolarHBondContact O-CB 3.47Å; K315-R318 WeakPolarHBondContact O-CG 3.42Å; K315-R318 PolarHBondContact O-N 2.82Å; R316-R318 PolarHBondContact O-N 3.06Å
319	Q	47.2	Very low	64.3	Low	163 Å²	163	125.1 Å²	125.1	76%	0.762	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-92.1	-11.7	-178.5	-67.6	-176.8	-12.9	0	0	113.9	R316 W317	R316-Q319 PolarHBondContact O-N 3.27Å; W317-Q319 PolarHBondContact O-N 3.5Å
320	T	46.9	Very low	62.3	Low	99 Å²	99	122.9 Å²	122.9	61%	0.607	57%	0.571	S	S	*	*	S	Bend	trans	-107.2	2.3	-170.9	18.9	0	0	0	0	115.5	W317	W317-T320 PolarHBondContact O-N 2.82Å; W317-T320 PolarHBondContact O-OG1 2.7Å
321	V	44.1	Very low	59.9	Low	86 Å²	86	127.2 Å²	127.2	52%	0.521	58%	0.58	S	S	.	*	S	Bend	trans	-113.5	0.5	-176.3	-161.3	0	0	0	0	113.3	W317	W317-V321 HydrophobicContact CE3-CG2 3.39Å; W317-V321 HydrophobicContact CH2-CG2 4.16Å; W317-V321 HydrophobicContact CZ3-CG2 3.16Å
322	F	39.5	Very low	57.1	Low	185 Å²	185	133 Å²	133	81%	0.811	61%	0.608	S	S	*	*			trans	-127.6	41.2	177.7	-71.6	-72.5	0	0	0	112.4
323	H	36.3	Very low	54.1	Low	248 Å²	248	141.9 Å²	141.9	100%	1.148	65%	0.647	S	S	*	*			trans	-131.4	0	163.1	-78.3	56.7	0	0	0	109.1

Retrieved 323 of 323 residues in 122 ms (Link to these results)

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