A0A3Q0KEF0_SCHMA Loading...

Adenylyltransferase and sulfurtransferase MOCS3 homolog

Plays a central role in 2-thiolation of mcm(5)S(2)U at tRNA wobble positions of cytosolic tRNA(Lys), tRNA(Glu) and tRNA(Gln). Acts by mediating the C-terminal thiocarboxylation of the sulfur carrier URM1. Its N-terminus first activates URM1 as acyl-adenylate (-COAMP), then the persulfide sulfur on the catalytic cysteine is transferred to URM1 to form thiocarboxylation (-COSH) of its C-terminus. The reaction probably involves hydrogen sulfide that is generated from the persulfide intermediate and that acts as nucleophile towards URM1. Subsequently, a transient disulfide bond is formed. Does not use thiosulfate as sulfur donor; NFS1 probably acting as a sulfur donor for thiocarboxylation reactions.

AlphaFold DB , UniProt , Accession A0A3Q0KEF0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 459 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.3	Low	86.4	Confident	222 Å²	222	100 Å²	100	100%	1.094	53%	0.527	S	S	*	.				0	102.3	0	-162.8	-178.5	-154.1	0	0	105.9
2	E	68.4	Low	87.2	Confident	201 Å²	201	99 Å²	99	94%	0.939	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-73.8	127.6	171.7	-73.1	177.5	171.3	0	0	107.7
3	K	77.3	Confident	88	Confident	176 Å²	176	99.8 Å²	99.8	77%	0.765	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-103.2	150.3	173.9	-69.2	-177.3	178.5	-179.9	0	107.9
4	C	88	Confident	88.7	Confident	52 Å²	52	93.4 Å²	93.4	35%	0.351	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-70.7	165.1	170.8	59	0	0	0	0	111.7	L6 V25	C4-L6 PolarHBondContact O-N 2.99Å; C4-V25 HydrophobicContact CB-CG1 3.62Å; C4-V25 HydrophobicContact CB-CG2 4.31Å
5	D	92.7	Very high	89.2	Confident	121 Å²	121	90.1 Å²	90.1	65%	0.647	48%	0.479	S	S	*	.	S	Bend	trans	-76.4	23.7	-178.5	-61	-31.5	0	0	0	114.4	L29 R32	D5-L29 HydrophobicContact CB-CD1 4.43Å; D5-L29 HydrophobicContact CB-CD2 4Å; D5-R32 PolarHBondContact O-NH1 2.88Å; D5-R32 PolarHBondContact O-NH2 3.22Å
6	L	95	Very high	89.7	Confident	11 Å²	11	96.7 Å²	96.7	6%	0.058	50%	0.495	C	S	.	.	S	Bend	trans	-105.6	139.2	174.6	-63.8	174.9	0	0	0	109.6	C4 E10 I11 L18 V25 Q28 L29	C4-L6 PolarHBondContact O-N 2.99Å; L6-E10 WeakPolarHBondContact CA-OE2 3.35Å; L6-E10 HydrophobicContact CB-CB 4.18Å; L6-E10 HydrophobicContact CD2-CB 4.34Å; L6-I11 HydrophobicContact CB-CD1 4.32Å; L6-I11 HydrophobicContact CB-CG1 3.76Å; L6-L18 HydrophobicContact CD1-CD1 4.02Å; L6-L18 HydrophobicContact CD1-CD2 3.62Å; L6-L18 HydrophobicContact CD1-CG 4.48Å; L6-V25 HydrophobicContact CD1-CG1 4.1Å; L6-V25 HydrophobicContact CG-CG1 4.44Å; L6-Q28 HydrophobicContact CD1-CB 4.14Å; L6-Q28 HydrophobicContact CD1-CG 4.1Å; L6-Q28 HydrophobicContact CD2-CG 4.08Å; L6-L29 HydrophobicContact CD2-CD2 3.66Å; L6-L29 HydrophobicContact CD2-CG 4.3Å; L6-L29 HydrophobicContact CG-CD2 4.13Å
7	T	94.2	Very high	90.1	Very high	65 Å²	65	93.9 Å²	93.9	40%	0.399	48%	0.479	S	S	.	.			trans	-67.8	159.1	174.1	69.9	0	0	0	0	110.9	S9 E10 I11	T7-S9 PolarHBondContact O-N 3.4Å; T7-E10 WeakPolarHBondContact CG2-OE2 3.37Å; T7-E10 PolarHBondContact N-OE2 3.43Å; T7-E10 PolarHBondContact O-N 3.17Å; T7-E10 VanDerWaalsContact O-N 3.17Å; T7-E10 VanDerWaalsContact OG1-CG 3.3Å; T7-E10 WeakPolarHBondContact OG1-CG 3.44Å; T7-E10 PolarHBondContact OG1-N 3.43Å; T7-E10 VanDerWaalsContact OG1-N 3.17Å; T7-E10 PolarHBondContact OG1-OE2 2.98Å; T7-I11 WeakPolarHBondContact O-CG1 3.36Å; T7-I11 PolarHBondContact O-N 2.91Å
8	P	94.3	Very high	90.5	Very high	109 Å²	109	90.2 Å²	90.2	71%	0.708	46%	0.461	S	S	*	.	H	α-helix	trans	-55.9	-34	173.3	-26.8	35.8	0	0	0	113.7	S12	P8-S12 WeakPolarHBondContact O-CB 3.43Å; P8-S12 PolarHBondContact O-N 2.98Å
9	S	94.7	Very high	90.8	Very high	59 Å²	59	91.7 Å²	91.7	41%	0.413	47%	0.468	S	S	.	.	H	α-helix	trans	-62.1	-52.5	174.5	175.7	0	0	0	0	110.9	T7 I11 S12 R13 E102	T7-S9 PolarHBondContact O-N 3.4Å; S9-I11 PolarHBondContact O-N 2.86Å; S9-S12 PolarHBondContact O-N 2.77Å; S9-R13 WeakPolarHBondContact O-CB 3.44Å; S9-R13 PolarHBondContact O-N 3.2Å; S9-E102 WeakPolarHBondContact CB-OE1 3.31Å; S9-E102 PolarHBondContact OG-OE1 2.87Å
10	E	96.3	Very high	91.1	Very high	13 Å²	13	91.6 Å²	91.6	6%	0.061	47%	0.468	C	S	.	.	H	α-helix	trans	-60.1	-44	177.7	-69.2	173.9	113.5	0	0	111.5	L6 T7 S12 R13 Y14 R32 E102	L6-E10 WeakPolarHBondContact CA-OE2 3.35Å; L6-E10 HydrophobicContact CB-CB 4.18Å; L6-E10 HydrophobicContact CD2-CB 4.34Å; T7-E10 WeakPolarHBondContact CG2-OE2 3.37Å; T7-E10 PolarHBondContact N-OE2 3.43Å; T7-E10 PolarHBondContact O-N 3.17Å; T7-E10 VanDerWaalsContact O-N 3.17Å; T7-E10 VanDerWaalsContact OG1-CG 3.3Å; T7-E10 WeakPolarHBondContact OG1-CG 3.44Å; T7-E10 PolarHBondContact OG1-N 3.43Å; T7-E10 VanDerWaalsContact OG1-N 3.17Å; T7-E10 PolarHBondContact OG1-OE2 2.98Å; E10-S12 VanDerWaalsContact C-N 3.33Å; E10-S12 PolarHBondContact O-N 3.17Å; E10-R13 PolarHBondContact O-N 3.28Å; E10-Y14 HydrophobicContact CB-CD2 3.91Å; E10-Y14 HydrophobicContact CB-CE2 3.87Å; E10-Y14 HydrophobicContact CG-CD2 4.47Å; E10-Y14 HydrophobicContact CG-CE2 3.93Å; E10-Y14 WeakPolarHBondContact O-CB 3.3Å; E10-Y14 WeakPolarHBondContact O-CD2 3.09Å; E10-Y14 PolarHBondContact O-N 3.21Å; E10-R32 WeakPolarHBondContact OE1-CD 3.36Å; E10-R32 IonicContact OE1-NE 2.61Å; E10-R32 IonicContact OE1-NH1 3.28Å; E10-R32 PolarHBondContact OE1-NH1 2.86Å; E10-R32 IonicContact OE2-NH1 3.28Å; E10-R32 PolarHBondContact OE2-NH1 3Å; E10-E102 WeakPolarHBondContact CG-OE2 3.42Å
11	I	96.4	Very high	91.3	Very high	71 Å²	71	92.7 Å²	92.7	36%	0.364	48%	0.482	S	S	.	.	H	α-helix	trans	-60.4	-44.2	177.5	-67.1	168.7	0	0	0	110.8	L6 T7 S9 S15 L18	L6-I11 HydrophobicContact CB-CD1 4.32Å; L6-I11 HydrophobicContact CB-CG1 3.76Å; T7-I11 WeakPolarHBondContact O-CG1 3.36Å; T7-I11 PolarHBondContact O-N 2.91Å; S9-I11 PolarHBondContact O-N 2.86Å; I11-S15 VanDerWaalsContact O-CA 3.29Å; I11-S15 WeakPolarHBondContact O-CA 3.44Å; I11-S15 VanDerWaalsContact O-CB 3.3Å; I11-S15 WeakPolarHBondContact O-CB 3.44Å; I11-S15 PolarHBondContact O-N 2.83Å; I11-S15 VanDerWaalsContact O-N 3.08Å; I11-L18 HydrophobicContact CB-CD1 4.44Å; I11-L18 HydrophobicContact CG1-CD1 4.46Å; I11-L18 HydrophobicContact CG2-CD1 4.41Å
12	S	96.4	Very high	93.3	Very high	88 Å²	88	89 Å²	89	62%	0.615	46%	0.461	S	S	*	.	H	α-helix	trans	-65	-49.8	178.5	-174	0	0	0	0	111.4	P8 S9 E10 S15	P8-S12 WeakPolarHBondContact O-CB 3.43Å; P8-S12 PolarHBondContact O-N 2.98Å; S9-S12 PolarHBondContact O-N 2.77Å; E10-S12 VanDerWaalsContact C-N 3.33Å; E10-S12 PolarHBondContact O-N 3.17Å; S12-S15 WeakPolarHBondContact O-CB 3.31Å; S12-S15 PolarHBondContact O-OG 2.82Å
13	R	97.1	Very high	94.6	Very high	110 Å²	110	80.4 Å²	80.4	42%	0.415	42%	0.421	S	S	.	.	H	α-helix	trans	-62.2	-51.4	-178	179.7	179.3	-71.1	-87.1	3.7	112.1	S9 E10 S15 L99	S9-R13 WeakPolarHBondContact O-CB 3.44Å; S9-R13 PolarHBondContact O-N 3.2Å; E10-R13 PolarHBondContact O-N 3.28Å; R13-S15 VanDerWaalsContact C-N 3.32Å; R13-S15 PolarHBondContact O-N 2.76Å; R13-L99 PolarHBondContact NH1-O 2.64Å
14	Y	97.6	Very high	95.5	Very high	9 Å²	9	72.8 Å²	72.8	4%	0.035	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	10.3	-174.6	-48.7	-56.3	0	0	0	113.2	E10 R16 Q17 L18 Q28 G56 N100	E10-Y14 HydrophobicContact CB-CD2 3.91Å; E10-Y14 HydrophobicContact CB-CE2 3.87Å; E10-Y14 HydrophobicContact CG-CD2 4.47Å; E10-Y14 HydrophobicContact CG-CE2 3.93Å; E10-Y14 WeakPolarHBondContact O-CB 3.3Å; E10-Y14 WeakPolarHBondContact O-CD2 3.09Å; E10-Y14 PolarHBondContact O-N 3.21Å; Y14-R16 PolarHBondContact O-N 3Å; Y14-Q17 WeakPolarHBondContact O-CA 3.42Å; Y14-Q17 WeakPolarHBondContact O-CB 3.3Å; Y14-Q17 PolarHBondContact O-N 3.27Å; Y14-L18 WeakPolarHBondContact O-CG 3.46Å; Y14-L18 PolarHBondContact O-N 3.28Å; Y14-Q28 VanDerWaalsContact CD2-CD 3.46Å; Y14-Q28 HydrophobicContact CD2-CG 3.76Å; Y14-Q28 HydrophobicContact CE2-CG 4.43Å; Y14-Q28 VanDerWaalsContact CG-CD 3.47Å; Y14-Q28 HydrophobicContact CG-CG 4.18Å; Y14-G56 WeakPolarHBondContact OH-CA 3.01Å; Y14-N100 PolarHBondContact OH-ND2 3.34Å
15	S	96.7	Very high	96	Very high	45 Å²	45	72.8 Å²	72.8	32%	0.315	39%	0.391	S	S	.	.	H	α-helix	trans	-46.5	-39.5	-176.1	55.3	0	0	0	0	113.8	I11 S12 R13 L18 I19	I11-S15 VanDerWaalsContact O-CA 3.29Å; I11-S15 WeakPolarHBondContact O-CA 3.44Å; I11-S15 VanDerWaalsContact O-CB 3.3Å; I11-S15 WeakPolarHBondContact O-CB 3.44Å; I11-S15 PolarHBondContact O-N 2.83Å; I11-S15 VanDerWaalsContact O-N 3.08Å; S12-S15 WeakPolarHBondContact O-CB 3.31Å; S12-S15 PolarHBondContact O-OG 2.82Å; R13-S15 VanDerWaalsContact C-N 3.32Å; R13-S15 PolarHBondContact O-N 2.76Å; S15-L18 PolarHBondContact O-N 3.22Å; S15-I19 WeakPolarHBondContact O-CG2 3.44Å; S15-I19 PolarHBondContact O-N 3.12Å
16	R	97	Very high	96.2	Very high	195 Å²	195	70.6 Å²	70.6	74%	0.736	39%	0.385	S	S	*	.	H	α-helix	trans	-71.4	-30.7	178.1	-58.6	-53.2	-177	-163.2	-1.1	114.2	Y14 I19	Y14-R16 PolarHBondContact O-N 3Å; R16-I19 WeakPolarHBondContact O-CG1 3.36Å
17	Q	96.4	Very high	96.3	Very high	50 Å²	50	70.1 Å²	70.1	23%	0.234	38%	0.383	C	S	.	.	H	α-helix	trans	-76.6	-40.6	173.2	-51	-173.1	153.8	0	0	110.3	Y14 I19 L20 F23 A55	Y14-Q17 WeakPolarHBondContact O-CA 3.42Å; Y14-Q17 WeakPolarHBondContact O-CB 3.3Å; Y14-Q17 PolarHBondContact O-N 3.27Å; Q17-I19 VanDerWaalsContact C-N 3.31Å; Q17-I19 PolarHBondContact O-N 3.47Å; Q17-L20 WeakPolarHBondContact O-CB 3.38Å; Q17-L20 PolarHBondContact O-N 3.08Å; Q17-L20 VanDerWaalsContact O-N 3.12Å; Q17-F23 HydrophobicContact CB-CD1 3.97Å; Q17-F23 HydrophobicContact CB-CE1 3.69Å; Q17-F23 HydrophobicContact CB-CZ 4.33Å; Q17-F23 VanDerWaalsContact O-CD1 3.32Å; Q17-F23 WeakPolarHBondContact O-CD1 3.29Å; Q17-A55 PolarHBondContact NE2-O 3.47Å
18	L	97.1	Very high	96.5	Very high	27 Å²	27	67 Å²	67	14%	0.141	36%	0.364	C	S	.	.	H	α-helix	trans	-63.9	-31.5	-176.7	-67.6	176.1	0	0	0	113.7	L6 I11 Y14 S15 L20 G24 V25 Q28	L6-L18 HydrophobicContact CD1-CD1 4.02Å; L6-L18 HydrophobicContact CD1-CD2 3.62Å; L6-L18 HydrophobicContact CD1-CG 4.48Å; I11-L18 HydrophobicContact CB-CD1 4.44Å; I11-L18 HydrophobicContact CG1-CD1 4.46Å; I11-L18 HydrophobicContact CG2-CD1 4.41Å; Y14-L18 WeakPolarHBondContact O-CG 3.46Å; Y14-L18 PolarHBondContact O-N 3.28Å; S15-L18 PolarHBondContact O-N 3.22Å; L18-L20 VanDerWaalsContact C-N 3.29Å; L18-G24 WeakPolarHBondContact O-CA 3.47Å; L18-V25 HydrophobicContact CD2-CG2 4.16Å; L18-Q28 HydrophobicContact CD2-CB 3.63Å; L18-Q28 HydrophobicContact CD2-CG 4.12Å
19	I	96.6	Very high	96.6	Very high	118 Å²	118	63.7 Å²	63.7	61%	0.605	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-6.8	178	63.5	174.4	0	0	0	113.6	S15 R16 Q17 P21	S15-I19 WeakPolarHBondContact O-CG2 3.44Å; S15-I19 PolarHBondContact O-N 3.12Å; R16-I19 WeakPolarHBondContact O-CG1 3.36Å; Q17-I19 VanDerWaalsContact C-N 3.31Å; Q17-I19 PolarHBondContact O-N 3.47Å; I19-P21 VanDerWaalsContact O-CD 3.31Å; I19-P21 WeakPolarHBondContact O-CD 3.45Å
20	L	96.4	Very high	96.8	Very high	90 Å²	90	65.6 Å²	65.6	47%	0.471	34%	0.341	S	S	.	.			trans	-74.4	116.8	174.5	-66.9	172.9	0	0	0	109.3	Q17 L18 Q22 F23 G24	Q17-L20 WeakPolarHBondContact O-CB 3.38Å; Q17-L20 PolarHBondContact O-N 3.08Å; Q17-L20 VanDerWaalsContact O-N 3.12Å; L18-L20 VanDerWaalsContact C-N 3.29Å; L20-Q22 PolarHBondContact O-N 3.33Å; L20-Q22 VanDerWaalsContact O-N 3.15Å; L20-F23 HydrophobicContact CB-CB 4.05Å; L20-F23 PolarHBondContact O-N 3.45Å; L20-G24 PolarHBondContact O-N 3.44Å
21	P	96	Very high	96.9	Very high	115 Å²	115	65 Å²	65	75%	0.747	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-32.4	-173	-27.1	35.9	0	0	0	114.5	I19 F23	I19-P21 VanDerWaalsContact O-CD 3.31Å; I19-P21 WeakPolarHBondContact O-CD 3.45Å; P21-F23 VanDerWaalsContact C-N 3.28Å; P21-F23 PolarHBondContact O-N 2.92Å
22	Q	95.1	Very high	96.9	Very high	143 Å²	143	66 Å²	66	67%	0.668	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-11.9	-178.7	-53.4	77	16.3	0	0	113	L20 V237	L20-Q22 PolarHBondContact O-N 3.33Å; L20-Q22 VanDerWaalsContact O-N 3.15Å; Q22-V237 HydrophobicContact CB-CG2 3.7Å; Q22-V237 WeakPolarHBondContact O-CG2 3.48Å
23	F	96.5	Very high	97	Very high	21 Å²	21	66.2 Å²	66.2	9%	0.092	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-64.1	-177.3	-177.6	-88.8	0	0	0	110.4	Q17 L20 P21 G27 Q28 L31 I231 T235	Q17-F23 HydrophobicContact CB-CD1 3.97Å; Q17-F23 HydrophobicContact CB-CE1 3.69Å; Q17-F23 HydrophobicContact CB-CZ 4.33Å; Q17-F23 VanDerWaalsContact O-CD1 3.32Å; Q17-F23 WeakPolarHBondContact O-CD1 3.29Å; L20-F23 HydrophobicContact CB-CB 4.05Å; L20-F23 PolarHBondContact O-N 3.45Å; P21-F23 VanDerWaalsContact C-N 3.28Å; P21-F23 PolarHBondContact O-N 2.92Å; F23-G27 VanDerWaalsContact O-CA 3.31Å; F23-G27 WeakPolarHBondContact O-CA 3.44Å; F23-G27 PolarHBondContact O-N 3.2Å; F23-Q28 HydrophobicContact CE1-CB 3.92Å; F23-Q28 HydrophobicContact CZ-CB 4.42Å; F23-L31 HydrophobicContact CE2-CD1 3.83Å; F23-L31 HydrophobicContact CE2-CG 4.19Å; F23-L31 HydrophobicContact CZ-CD1 3.54Å; F23-L31 HydrophobicContact CZ-CG 4.05Å; F23-I231 HydrophobicContact CE2-CG2 4.17Å; F23-T235 HydrophobicContact CD2-CG2 4.21Å; F23-T235 HydrophobicContact CE2-CG2 3.65Å; F23-T235 HydrophobicContact CZ-CG2 4.41Å
24	G	96.2	Very high	97.1	Very high	16 Å²	16	61.1 Å²	61.1	17%	0.165	32%	0.321	C	S	.	.	H	α-helix	trans	57.7	-167.5	175.3	0	0	0	0	0	115.3	L18 L20 S26 G27 Q28	L18-G24 WeakPolarHBondContact O-CA 3.47Å; L20-G24 PolarHBondContact O-N 3.44Å; G24-S26 VanDerWaalsContact C-N 3.3Å; G24-S26 PolarHBondContact O-N 2.84Å; G24-G27 PolarHBondContact O-N 2.95Å; G24-Q28 PolarHBondContact O-N 3.27Å
25	V	96.8	Very high	97.1	Very high	53 Å²	53	65 Å²	65	32%	0.321	34%	0.335	S	S	.	.	H	α-helix	trans	-60.5	-40.2	174.4	174.1	0	0	0	0	111.5	C4 L6 L18 G27 Q28 L29	C4-V25 HydrophobicContact CB-CG1 3.62Å; C4-V25 HydrophobicContact CB-CG2 4.31Å; L6-V25 HydrophobicContact CD1-CG1 4.1Å; L6-V25 HydrophobicContact CG-CG1 4.44Å; L18-V25 HydrophobicContact CD2-CG2 4.16Å; V25-G27 PolarHBondContact O-N 3.41Å; V25-Q28 PolarHBondContact O-N 2.87Å; V25-L29 HydrophobicContact CG1-CD1 3.93Å; V25-L29 HydrophobicContact CG1-CG 4.26Å; V25-L29 WeakPolarHBondContact O-CG 3.35Å; V25-L29 PolarHBondContact O-N 3.3Å
26	S	96.5	Very high	97.2	Very high	74 Å²	74	62.9 Å²	62.9	52%	0.517	32%	0.32	S	S	.	.	H	α-helix	trans	-59.9	-43.9	179.7	-177.2	0	0	0	0	112	G24 L29 K30	G24-S26 VanDerWaalsContact C-N 3.3Å; G24-S26 PolarHBondContact O-N 2.84Å; S26-L29 PolarHBondContact O-N 2.83Å; S26-K30 WeakPolarHBondContact O-CG 3.48Å; S26-K30 PolarHBondContact O-N 2.95Å
27	G	97.5	Very high	97.3	Very high	2 Å²	2	53.6 Å²	53.6	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-61.2	-43.7	174.6	0	0	0	0	0	112.4	F23 G24 V25 L29 K30 L31 T235	F23-G27 VanDerWaalsContact O-CA 3.31Å; F23-G27 WeakPolarHBondContact O-CA 3.44Å; F23-G27 PolarHBondContact O-N 3.2Å; G24-G27 PolarHBondContact O-N 2.95Å; V25-G27 PolarHBondContact O-N 3.41Å; G27-L29 PolarHBondContact O-N 2.94Å; G27-K30 PolarHBondContact O-N 3.28Å; G27-L31 PolarHBondContact O-N 3.47Å; G27-T235 VanDerWaalsContact O-CG2 3.3Å; G27-T235 WeakPolarHBondContact O-CG2 3.45Å
28	Q	98.1	Very high	97.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-64.6	-41.6	178.4	-165.3	63.2	47.6	0	0	112.5	L6 Y14 L18 F23 G24 V25 K30 L31 R32 A55	L6-Q28 HydrophobicContact CD1-CB 4.14Å; L6-Q28 HydrophobicContact CD1-CG 4.1Å; L6-Q28 HydrophobicContact CD2-CG 4.08Å; Y14-Q28 VanDerWaalsContact CD2-CD 3.46Å; Y14-Q28 HydrophobicContact CD2-CG 3.76Å; Y14-Q28 HydrophobicContact CE2-CG 4.43Å; Y14-Q28 VanDerWaalsContact CG-CD 3.47Å; Y14-Q28 HydrophobicContact CG-CG 4.18Å; L18-Q28 HydrophobicContact CD2-CB 3.63Å; L18-Q28 HydrophobicContact CD2-CG 4.12Å; F23-Q28 HydrophobicContact CE1-CB 3.92Å; F23-Q28 HydrophobicContact CZ-CB 4.42Å; G24-Q28 PolarHBondContact O-N 3.27Å; V25-Q28 PolarHBondContact O-N 2.87Å; Q28-K30 VanDerWaalsContact C-N 3.32Å; Q28-K30 PolarHBondContact O-N 3.05Å; Q28-L31 PolarHBondContact O-N 3.32Å; Q28-R32 WeakPolarHBondContact O-CB 3.08Å; Q28-R32 PolarHBondContact O-N 3.37Å; Q28-A55 PolarHBondContact NE2-O 3.44Å
29	L	97.8	Very high	97.5	Very high	39 Å²	39	50.2 Å²	50.2	20%	0.204	27%	0.269	C	S	.	.	H	α-helix	trans	-62.5	-40.2	176.4	-69.8	172.6	0	0	0	111.3	D5 L6 V25 S26 G27 R32 S33	D5-L29 HydrophobicContact CB-CD1 4.43Å; D5-L29 HydrophobicContact CB-CD2 4Å; L6-L29 HydrophobicContact CD2-CD2 3.66Å; L6-L29 HydrophobicContact CD2-CG 4.3Å; L6-L29 HydrophobicContact CG-CD2 4.13Å; V25-L29 HydrophobicContact CG1-CD1 3.93Å; V25-L29 HydrophobicContact CG1-CG 4.26Å; V25-L29 WeakPolarHBondContact O-CG 3.35Å; V25-L29 PolarHBondContact O-N 3.3Å; S26-L29 PolarHBondContact O-N 2.83Å; G27-L29 PolarHBondContact O-N 2.94Å; L29-R32 VanDerWaalsContact CD2-NH2 3.29Å; L29-R32 PolarHBondContact O-N 3.14Å; L29-S33 PolarHBondContact O-N 3.5Å; L29-S33 PolarHBondContact O-OG 3.2Å
30	K	98.1	Very high	97.6	Very high	99 Å²	99	45 Å²	45	43%	0.43	25%	0.245	S	C	.	.	H	α-helix	trans	-64.3	-42.6	173.9	-72	176.1	-178.9	179.6	0	112.6	S26 G27 Q28 R32 S33 G34 T235	S26-K30 WeakPolarHBondContact O-CG 3.48Å; S26-K30 PolarHBondContact O-N 2.95Å; G27-K30 PolarHBondContact O-N 3.28Å; Q28-K30 VanDerWaalsContact C-N 3.32Å; Q28-K30 PolarHBondContact O-N 3.05Å; K30-R32 VanDerWaalsContact C-N 3.35Å; K30-S33 PolarHBondContact O-N 3.26Å; K30-G34 PolarHBondContact O-N 2.87Å; K30-T235 HydrophobicContact CB-CG2 4.43Å; K30-T235 WeakPolarHBondContact CD-O 3.44Å; K30-T235 PolarHBondContact NZ-O 3.35Å
31	L	97.9	Very high	97.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58.8	-47.6	173.4	-75.4	-170	0	0	0	111.2	F23 G27 Q28 S33 G34 A55 G56 V57 G58 I231 L234 T235	F23-L31 HydrophobicContact CE2-CD1 3.83Å; F23-L31 HydrophobicContact CE2-CG 4.19Å; F23-L31 HydrophobicContact CZ-CD1 3.54Å; F23-L31 HydrophobicContact CZ-CG 4.05Å; G27-L31 PolarHBondContact O-N 3.47Å; Q28-L31 PolarHBondContact O-N 3.32Å; L31-S33 PolarHBondContact O-N 3.15Å; L31-G34 PolarHBondContact O-N 3.48Å; L31-A55 HydrophobicContact CD1-CB 4.05Å; L31-A55 WeakPolarHBondContact CD1-O 3.27Å; L31-G56 CarbonylContact C-O 3.51Å; L31-V57 HydrophobicContact CD2-CG2 4.21Å; L31-V57 CarbonylContact O-C 3.56Å; L31-V57 WeakPolarHBondContact O-CA 3.36Å; L31-G58 PolarHBondContact O-N 2.87Å; L31-I231 HydrophobicContact CD2-CB 4.45Å; L31-I231 HydrophobicContact CD2-CG1 4.23Å; L31-I231 HydrophobicContact CD2-CG2 4.31Å; L31-L234 HydrophobicContact CD2-CB 3.87Å; L31-L234 HydrophobicContact CD2-CD1 3.73Å; L31-L234 HydrophobicContact CD2-CG 4.45Å; L31-T235 HydrophobicContact CD2-CG2 3.6Å; L31-T235 HydrophobicContact CG-CG2 3.59Å
32	R	97.9	Very high	97.7	Very high	93 Å²	93	35.8 Å²	35.8	35%	0.351	19%	0.192	S	C	.	.	H	α-helix	trans	-60.7	-29.8	178.9	-172.9	-179.5	76.4	-176.5	-0.9	113	D5 E10 Q28 L29 K30 G56 G58	D5-R32 PolarHBondContact O-NH1 2.88Å; D5-R32 PolarHBondContact O-NH2 3.22Å; E10-R32 WeakPolarHBondContact OE1-CD 3.36Å; E10-R32 IonicContact OE1-NE 2.61Å; E10-R32 IonicContact OE1-NH1 3.28Å; E10-R32 PolarHBondContact OE1-NH1 2.86Å; E10-R32 IonicContact OE2-NH1 3.28Å; E10-R32 PolarHBondContact OE2-NH1 3Å; Q28-R32 WeakPolarHBondContact O-CB 3.08Å; Q28-R32 PolarHBondContact O-N 3.37Å; L29-R32 VanDerWaalsContact CD2-NH2 3.29Å; L29-R32 PolarHBondContact O-N 3.14Å; K30-R32 VanDerWaalsContact C-N 3.35Å; R32-G56 PolarHBondContact N-O 2.9Å; R32-G58 WeakPolarHBondContact O-CA 3.35Å
33	S	98	Very high	97.8	Very high	91 Å²	91	29.3 Å²	29.3	64%	0.636	16%	0.164	S	C	*	.	H	α-helix	trans	-85.8	-14.7	174.7	-65.8	0	0	0	0	113.6	L29 K30 L31	L29-S33 PolarHBondContact O-N 3.5Å; L29-S33 PolarHBondContact O-OG 3.2Å; K30-S33 PolarHBondContact O-N 3.26Å; L31-S33 PolarHBondContact O-N 3.15Å
34	G	98.5	Very high	97.9	Very high	4 Å²	4	29 Å²	29	4%	0.041	16%	0.163	C	C	.	.			trans	-74.6	142.9	-175.6	0	0	0	0	0	114	K30 L31 G58 T59	K30-G34 PolarHBondContact O-N 2.87Å; L31-G34 PolarHBondContact O-N 3.48Å; G34-G58 PolarHBondContact O-N 3.2Å; G34-T59 PolarHBondContact O-N 3.19Å
35	R	98.8	Very high	98	Very high	90 Å²	90	28.3 Å²	28.3	34%	0.34	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	116	176.5	-53.7	176.5	66.6	85.8	-1.5	109.3	T59 T123 Y124 D125 V126	R35-T59 CarbonylContact C-O 3.59Å; R35-T59 WeakPolarHBondContact CA-O 3.37Å; R35-T123 PolarHBondContact NE-O 3.28Å; R35-Y124 HydrophobicContact CB-CD1 3.99Å; R35-D125 WeakPolarHBondContact CB-OD2 3.13Å; R35-D125 PolarHBondContact N-OD2 2.99Å; R35-D125 PolarHBondContact O-N 2.94Å; R35-V126 PolarHBondContact O-N 3.26Å
36	V	98.9	Very high	98.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	133.1	-176.2	-177.3	0	0	0	0	109.9	I38 L52 V57 T59 I60 G61 Y124 V126 V128 V230 L234	V36-I38 HydrophobicContact CG1-CG1 4.37Å; V36-L52 HydrophobicContact CG1-CD1 3.98Å; V36-V57 HydrophobicContact CB-CG1 4.34Å; V36-V57 HydrophobicContact CG2-CG1 3.72Å; V36-T59 PolarHBondContact N-O 3.49Å; V36-I60 CarbonylContact O-C 3.44Å; V36-I60 WeakPolarHBondContact O-CA 3.4Å; V36-G61 PolarHBondContact O-N 2.92Å; V36-Y124 VanDerWaalsContact C-CD1 3.45Å; V36-Y124 WeakPolarHBondContact O-CD1 3.31Å; V36-V126 WeakPolarHBondContact CA-O 3.32Å; V36-V128 HydrophobicContact CG1-CG2 3.63Å; V36-V230 HydrophobicContact CB-CG1 4.41Å; V36-V230 HydrophobicContact CG1-CG1 4.01Å; V36-V230 HydrophobicContact CG1-CG2 4.42Å; V36-V230 HydrophobicContact CG2-CG1 3.48Å; V36-V230 VanDerWaalsContact CG2-CG1 3.48Å; V36-L234 HydrophobicContact CG2-CD1 3.84Å
37	L	98.9	Very high	98.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	127.5	170.5	-173.3	63.6	0	0	0	110	V39 V63 I120 I121 Y124 V126 V127 V128	L37-V39 HydrophobicContact CD2-CG2 4.1Å; L37-V39 HydrophobicContact CG-CG2 4.16Å; L37-V63 HydrophobicContact CD1-CG2 3.54Å; L37-V63 HydrophobicContact CD2-CG2 4.48Å; L37-V63 HydrophobicContact CG-CG2 4.25Å; L37-I120 HydrophobicContact CD1-CG2 4.04Å; L37-I120 HydrophobicContact CD2-CG2 3.89Å; L37-I121 HydrophobicContact CD2-CB 4.46Å; L37-I121 HydrophobicContact CD2-CG1 3.53Å; L37-Y124 HydrophobicContact CB-CD1 4.05Å; L37-Y124 HydrophobicContact CB-CD2 3.74Å; L37-Y124 HydrophobicContact CB-CE2 4.28Å; L37-Y124 HydrophobicContact CB-CG 3.63Å; L37-Y124 HydrophobicContact CD1-CD2 3.9Å; L37-Y124 HydrophobicContact CD1-CE1 4.4Å; L37-Y124 HydrophobicContact CD1-CE2 3.58Å; L37-Y124 HydrophobicContact CD1-CG 4.45Å; L37-Y124 HydrophobicContact CD2-CD2 4.1Å; L37-Y124 HydrophobicContact CD2-CE2 4.46Å; L37-Y124 HydrophobicContact CG-CD2 4.13Å; L37-Y124 HydrophobicContact CG-CE2 4.32Å; L37-Y124 HydrophobicContact CG-CG 4.5Å; L37-V126 PolarHBondContact N-O 3.34Å; L37-V127 HydrophobicContact CB-CG1 4.47Å; L37-V127 HydrophobicContact CB-CG2 4.34Å; L37-V127 HydrophobicContact CD2-CG1 4.42Å; L37-V127 CarbonylContact O-C 3.51Å; L37-V127 WeakPolarHBondContact O-CA 3.5Å; L37-V128 PolarHBondContact O-N 2.9Å
38	I	98.9	Very high	98.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	118.6	172.4	-58.7	173.7	0	0	0	107.7	V36 A48 A49 L52 I60 G61 L62 V63 V128 C130	V36-I38 HydrophobicContact CG1-CG1 4.37Å; I38-A48 HydrophobicContact CD1-CB 4.39Å; I38-A49 VanDerWaalsContact CD1-CA 3.45Å; I38-A49 HydrophobicContact CD1-CB 3.54Å; I38-L52 HydrophobicContact CD1-CD1 4.14Å; I38-I60 HydrophobicContact CD1-CG2 3.83Å; I38-I60 HydrophobicContact CG1-CG2 4.36Å; I38-G61 PolarHBondContact N-O 3.01Å; I38-L62 HydrophobicContact CB-CD2 4.14Å; I38-L62 HydrophobicContact CD1-CD2 4.12Å; I38-V63 PolarHBondContact O-N 3.06Å; I38-V128 HydrophobicContact CG1-CB 4.18Å; I38-V128 HydrophobicContact CG1-CG2 4.21Å; I38-C130 HydrophobicContact CG2-CB 4.32Å
39	V	98.7	Very high	98.3	Very high	6 Å²	6	22.7 Å²	22.7	4%	0.036	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	113.3	176.4	-172.5	0	0	0	0	109	L37 V63 L112 V127 V128 C130 S131 T136 I140	L37-V39 HydrophobicContact CD2-CG2 4.1Å; L37-V39 HydrophobicContact CG-CG2 4.16Å; V39-V63 HydrophobicContact CG1-CB 4.43Å; V39-V63 HydrophobicContact CG1-CG1 4.48Å; V39-L112 HydrophobicContact CG1-CB 4.43Å; V39-L112 HydrophobicContact CG1-CD2 3.9Å; V39-L112 HydrophobicContact CG2-CD2 4.11Å; V39-V127 HydrophobicContact CG2-CG1 4.27Å; V39-V128 PolarHBondContact N-O 3.23Å; V39-C130 CarbonylContact O-C 3.55Å; V39-C130 VanDerWaalsContact O-CA 3.24Å; V39-C130 WeakPolarHBondContact O-CA 3.39Å; V39-C130 VanDerWaalsContact O-CB 3.28Å; V39-C130 WeakPolarHBondContact O-CB 3.23Å; V39-C130 PolarHBondContact O-N 3.04Å; V39-S131 PolarHBondContact O-N 3.41Å; V39-T136 HydrophobicContact CG1-CG2 4.2Å; V39-I140 HydrophobicContact CB-CD1 3.67Å; V39-I140 HydrophobicContact CB-CG1 4.46Å; V39-I140 HydrophobicContact CG1-CD1 3.67Å; V39-I140 HydrophobicContact CG1-CG1 4.33Å; V39-I140 HydrophobicContact CG2-CD1 3.99Å; V39-I140 HydrophobicContact CG2-CG1 4.3Å
40	G	98.1	Very high	98.4	Very high	10 Å²	10	22.3 Å²	22.3	10%	0.103	12%	0.117	C	C	.	.			trans	95.9	115.7	-170.1	0	0	0	0	0	111.3	G42 G45 V63 C130	G40-G42 VanDerWaalsContact C-N 3.32Å; G40-G45 WeakPolarHBondContact O-CA 3.3Å; G40-V63 PolarHBondContact N-O 3.34Å; G40-C130 WeakPolarHBondContact O-CB 3.41Å
41	C	98.4	Very high	98.4	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.			trans	-95.4	16.2	177.5	-67	0	0	0	0	112.5	C46 D64 H79 K88 L92	C41-C46 PolarHBondContact O-SG 3.13Å; C41-D64 HydrophobicContact CB-CB 3.84Å; C41-D64 PolarHBondContact N-OD2 2.83Å; C41-H79 PolarHBondContact O-NE2 2.97Å; C41-K88 HydrophobicContact CB-CB 3.81Å; C41-L92 HydrophobicContact CB-CD2 3.83Å
42	G	96.6	Very high	98.4	Very high	11 Å²	11	24 Å²	24	11%	0.113	12%	0.122	C	C	.	.	S	Bend	trans	-81.6	-141	-178.6	0	0	0	0	0	114.5	G40 L44 G45 C46 Q76	G40-G42 VanDerWaalsContact C-N 3.32Å; G42-L44 VanDerWaalsContact C-N 3.35Å; G42-L44 PolarHBondContact O-N 2.92Å; G42-G45 PolarHBondContact O-N 3.11Å; G42-C46 VanDerWaalsContact O-CB 3.27Å; G42-C46 WeakPolarHBondContact O-CB 3.3Å; G42-C46 PolarHBondContact O-N 3.47Å; G42-C46 PolarHBondContact O-SG 3.4Å; G42-Q76 VanDerWaalsContact CA-CD 3.48Å
43	G	97	Very high	98.5	Very high	7 Å²	7	19.6 Å²	19.6	7%	0.072	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-30.3	-167.2	0	0	0	0	0	114.8	P47 R75 P219	G43-P47 WeakPolarHBondContact O-CD 3.35Å; G43-P47 WeakPolarHBondContact O-CG 3.4Å; G43-R75 WeakPolarHBondContact CA-O 3.48Å; G43-P219 VanDerWaalsContact C-CB 3.47Å; G43-P219 CarbonylContact O-C 3.33Å; G43-P219 WeakPolarHBondContact O-CB 3.47Å
44	L	98.4	Very high	98.5	Very high	15 Å²	15	17.1 Å²	17.1	8%	0.079	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-42.2	174.5	-73.9	81	0	0	0	110.7	G42 P47 A48 C130 G155 A157 P219 I222 G223	G42-L44 VanDerWaalsContact C-N 3.35Å; G42-L44 PolarHBondContact O-N 2.92Å; L44-P47 VanDerWaalsContact O-CD 3.31Å; L44-P47 WeakPolarHBondContact O-CD 3.34Å; L44-P47 VanDerWaalsContact O-CG 3.29Å; L44-P47 WeakPolarHBondContact O-CG 3.33Å; L44-A48 WeakPolarHBondContact O-CB 3.49Å; L44-A48 PolarHBondContact O-N 3.35Å; L44-C130 HydrophobicContact CB-CB 3.82Å; L44-G155 VanDerWaalsContact CD2-C 3.41Å; L44-A157 HydrophobicContact CD1-CB 4.32Å; L44-P219 HydrophobicContact CD1-CB 3.82Å; L44-P219 HydrophobicContact CD1-CG 4.39Å; L44-P219 HydrophobicContact CG-CB 4.38Å; L44-I222 HydrophobicContact CD2-CB 4.33Å; L44-I222 HydrophobicContact CD2-CG2 3.66Å; L44-I222 HydrophobicContact CG-CG2 4.35Å; L44-G223 WeakPolarHBondContact O-CA 3.44Å
45	G	98.7	Very high	98.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-66.8	-38.3	-176.7	0	0	0	0	0	113.9	G40 G42 A48 A49	G40-G45 WeakPolarHBondContact O-CA 3.3Å; G42-G45 PolarHBondContact O-N 3.11Å; G45-A48 PolarHBondContact O-N 2.95Å; G45-A49 VanDerWaalsContact O-CB 3.3Å; G45-A49 WeakPolarHBondContact O-CB 3.36Å; G45-A49 PolarHBondContact O-N 3.44Å
46	C	98.7	Very high	98.5	Very high	1 Å²	1	13 Å²	13	1%	0.007	8%	0.075	C	C	.	.	H	α-helix	trans	-52	-64.3	176.3	-82.4	0	0	0	0	112.5	C41 G42 A48 A49 V50 A78	C41-C46 PolarHBondContact O-SG 3.13Å; G42-C46 VanDerWaalsContact O-CB 3.27Å; G42-C46 WeakPolarHBondContact O-CB 3.3Å; G42-C46 PolarHBondContact O-N 3.47Å; G42-C46 PolarHBondContact O-SG 3.4Å; C46-A48 VanDerWaalsContact C-N 3.33Å; C46-A48 PolarHBondContact O-N 3.16Å; C46-A49 PolarHBondContact O-N 3.36Å; C46-V50 WeakPolarHBondContact O-CB 3.26Å; C46-V50 VanDerWaalsContact O-CG2 3.28Å; C46-V50 WeakPolarHBondContact O-CG2 3.37Å; C46-V50 PolarHBondContact O-N 3.5Å; C46-V50 VanDerWaalsContact O-N 3.1Å; C46-A78 HydrophobicContact CB-CB 3.71Å
47	P	98.7	Very high	98.5	Very high	11 Å²	11	13 Å²	13	7%	0.071	8%	0.075	C	C	.	.	H	α-helix	trans	-63.9	-36.9	178.2	27.3	-37	0	0	0	112	G43 L44 A49 V50 Y51 T224	G43-P47 WeakPolarHBondContact O-CD 3.35Å; G43-P47 WeakPolarHBondContact O-CG 3.4Å; L44-P47 VanDerWaalsContact O-CD 3.31Å; L44-P47 WeakPolarHBondContact O-CD 3.34Å; L44-P47 VanDerWaalsContact O-CG 3.29Å; L44-P47 WeakPolarHBondContact O-CG 3.33Å; P47-A49 PolarHBondContact O-N 3.25Å; P47-V50 PolarHBondContact O-N 3.03Å; P47-Y51 WeakPolarHBondContact O-CB 3.03Å; P47-Y51 VanDerWaalsContact O-CD2 3.32Å; P47-Y51 WeakPolarHBondContact O-CD2 3.46Å; P47-Y51 PolarHBondContact O-N 3.27Å; P47-T224 HydrophobicContact CB-CG2 3.93Å
48	A	98.8	Very high	98.4	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-58.7	-51.4	178.7	0	0	0	0	0	111.6	I38 L44 G45 C46 L52	I38-A48 HydrophobicContact CD1-CB 4.39Å; L44-A48 WeakPolarHBondContact O-CB 3.49Å; L44-A48 PolarHBondContact O-N 3.35Å; G45-A48 PolarHBondContact O-N 2.95Å; C46-A48 VanDerWaalsContact C-N 3.33Å; C46-A48 PolarHBondContact O-N 3.16Å; A48-L52 WeakPolarHBondContact O-CB 3.38Å; A48-L52 WeakPolarHBondContact O-CD1 3.34Å; A48-L52 WeakPolarHBondContact O-CG 3.41Å; A48-L52 PolarHBondContact O-N 3.23Å
49	A	98.9	Very high	98.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-63	-46.2	179.6	0	0	0	0	0	112	I38 G45 C46 P47 Y51 L52 A53 L62 L92	I38-A49 VanDerWaalsContact CD1-CA 3.45Å; I38-A49 HydrophobicContact CD1-CB 3.54Å; G45-A49 VanDerWaalsContact O-CB 3.3Å; G45-A49 WeakPolarHBondContact O-CB 3.36Å; G45-A49 PolarHBondContact O-N 3.44Å; C46-A49 PolarHBondContact O-N 3.36Å; P47-A49 PolarHBondContact O-N 3.25Å; A49-Y51 PolarHBondContact O-N 3.37Å; A49-L52 PolarHBondContact O-N 2.85Å; A49-A53 WeakPolarHBondContact O-CB 3.49Å; A49-A53 PolarHBondContact O-N 3.19Å; A49-L62 HydrophobicContact CB-CD2 4.01Å; A49-L92 HydrophobicContact CB-CD1 4.04Å; A49-L92 HydrophobicContact CB-CD2 3.75Å; A49-L92 HydrophobicContact CB-CG 3.98Å
50	V	98.8	Very high	98.4	Very high	30 Å²	30	14 Å²	14	18%	0.182	8%	0.084	C	C	.	.	H	α-helix	trans	-61.5	-46.1	-179.1	169.8	0	0	0	0	111.3	C46 P47 A53 A54 A78 L92 R95 L99	C46-V50 WeakPolarHBondContact O-CB 3.26Å; C46-V50 VanDerWaalsContact O-CG2 3.28Å; C46-V50 WeakPolarHBondContact O-CG2 3.37Å; C46-V50 PolarHBondContact O-N 3.5Å; C46-V50 VanDerWaalsContact O-N 3.1Å; P47-V50 PolarHBondContact O-N 3.03Å; V50-A53 PolarHBondContact O-N 2.9Å; V50-A54 WeakPolarHBondContact O-CB 3.23Å; V50-A54 PolarHBondContact O-N 3.1Å; V50-A78 HydrophobicContact CG2-CB 3.84Å; V50-L92 HydrophobicContact CG2-CD1 4.22Å; V50-R95 HydrophobicContact CG2-CG 4.21Å; V50-L99 HydrophobicContact CG1-CD2 3.79Å
51	Y	98.8	Very high	98.5	Very high	136 Å²	136	13.5 Å²	13.5	53%	0.533	8%	0.079	S	C	.	.	H	α-helix	trans	-69.3	-35.3	178.6	-86.7	-87.5	0	0	0	112.7	P47 A49 A54 A55 T224	P47-Y51 WeakPolarHBondContact O-CB 3.03Å; P47-Y51 VanDerWaalsContact O-CD2 3.32Å; P47-Y51 WeakPolarHBondContact O-CD2 3.46Å; P47-Y51 PolarHBondContact O-N 3.27Å; A49-Y51 PolarHBondContact O-N 3.37Å; Y51-A54 PolarHBondContact O-N 3.39Å; Y51-A55 VanDerWaalsContact O-CB 3.3Å; Y51-A55 WeakPolarHBondContact O-CB 3.39Å; Y51-A55 PolarHBondContact O-N 3.36Å; Y51-T224 HydrophobicContact CD2-CG2 3.68Å; Y51-T224 HydrophobicContact CE2-CG2 3.4Å; Y51-T224 VanDerWaalsContact CE2-CG2 3.4Å
52	L	98.9	Very high	98.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-68.7	-39.7	175.5	-69.8	171.1	0	0	0	112.2	V36 I38 A48 A49 A55 G56 V57 I60 A227 V230 I231	V36-L52 HydrophobicContact CG1-CD1 3.98Å; I38-L52 HydrophobicContact CD1-CD1 4.14Å; A48-L52 WeakPolarHBondContact O-CB 3.38Å; A48-L52 WeakPolarHBondContact O-CD1 3.34Å; A48-L52 WeakPolarHBondContact O-CG 3.41Å; A48-L52 PolarHBondContact O-N 3.23Å; A49-L52 PolarHBondContact O-N 2.85Å; L52-A55 PolarHBondContact O-N 3.2Å; L52-G56 PolarHBondContact O-N 3.03Å; L52-V57 HydrophobicContact CB-CB 4.43Å; L52-V57 HydrophobicContact CB-CG2 3.95Å; L52-V57 HydrophobicContact CD2-CG2 3.82Å; L52-V57 HydrophobicContact CG-CG2 4.45Å; L52-V57 PolarHBondContact O-N 3.25Å; L52-V57 VanDerWaalsContact O-N 3.13Å; L52-I60 HydrophobicContact CB-CD1 3.8Å; L52-A227 HydrophobicContact CD2-CB 4.13Å; L52-A227 HydrophobicContact CG-CB 3.94Å; L52-V230 HydrophobicContact CD1-CB 4.4Å; L52-V230 HydrophobicContact CD1-CG1 4.14Å; L52-V230 HydrophobicContact CD1-CG2 4.44Å; L52-V230 HydrophobicContact CD2-CB 3.81Å; L52-V230 HydrophobicContact CD2-CG1 3.57Å; L52-I231 HydrophobicContact CD2-CG1 4.01Å
53	A	98.8	Very high	98.6	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64.5	-44.5	173.7	0	0	0	0	0	110.9	A49 V50 A55 G56 I60 C96 N100	A49-A53 WeakPolarHBondContact O-CB 3.49Å; A49-A53 PolarHBondContact O-N 3.19Å; V50-A53 PolarHBondContact O-N 2.9Å; A53-A55 VanDerWaalsContact C-N 3.28Å; A53-A55 PolarHBondContact O-N 3.32Å; A53-G56 PolarHBondContact O-N 2.97Å; A53-G56 VanDerWaalsContact O-N 3.16Å; A53-I60 HydrophobicContact CB-CD1 3.94Å; A53-C96 HydrophobicContact CB-CB 3.8Å; A53-N100 WeakPolarHBondContact O-CB 3.34Å; A53-N100 PolarHBondContact O-ND2 3.05Å
54	A	98.4	Very high	98.7	Very high	39 Å²	39	13.6 Å²	13.6	32%	0.322	8%	0.076	S	C	.	.	H	α-helix	trans	-59.1	-39.1	175.4	0	0	0	0	0	112.5	V50 Y51 G56 L99	V50-A54 WeakPolarHBondContact O-CB 3.23Å; V50-A54 PolarHBondContact O-N 3.1Å; Y51-A54 PolarHBondContact O-N 3.39Å; A54-G56 VanDerWaalsContact C-N 3.25Å; A54-G56 PolarHBondContact O-N 3.34Å; A54-L99 HydrophobicContact CB-CD2 3.76Å; A54-L99 HydrophobicContact CB-CG 4.45Å
55	A	98.3	Very high	98.5	Very high	4 Å²	4	16 Å²	16	3%	0.033	9%	0.089	C	C	.	.	H	α-helix	trans	-73.4	-15	-179.7	0	0	0	0	0	113.7	Q17 Q28 L31 Y51 L52 A53 I231	Q17-A55 PolarHBondContact NE2-O 3.47Å; Q28-A55 PolarHBondContact NE2-O 3.44Å; L31-A55 HydrophobicContact CD1-CB 4.05Å; L31-A55 WeakPolarHBondContact CD1-O 3.27Å; Y51-A55 VanDerWaalsContact O-CB 3.3Å; Y51-A55 WeakPolarHBondContact O-CB 3.39Å; Y51-A55 PolarHBondContact O-N 3.36Å; L52-A55 PolarHBondContact O-N 3.2Å; A53-A55 VanDerWaalsContact C-N 3.28Å; A53-A55 PolarHBondContact O-N 3.32Å; A55-I231 HydrophobicContact CB-CD1 3.83Å; A55-I231 HydrophobicContact CB-CG1 4.41Å
56	G	98.4	Very high	98.4	Very high	3 Å²	3	17.1 Å²	17.1	3%	0.031	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	36.3	179.3	0	0	0	0	0	114.1	Y14 L31 R32 L52 A53 A54 G58	Y14-G56 WeakPolarHBondContact OH-CA 3.01Å; L31-G56 CarbonylContact C-O 3.51Å; R32-G56 PolarHBondContact N-O 2.9Å; L52-G56 PolarHBondContact O-N 3.03Å; A53-G56 PolarHBondContact O-N 2.97Å; A53-G56 VanDerWaalsContact O-N 3.16Å; A54-G56 VanDerWaalsContact C-N 3.25Å; A54-G56 PolarHBondContact O-N 3.34Å; G56-G58 PolarHBondContact O-N 2.96Å
57	V	98.7	Very high	98.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.118	C	C	.	.			trans	-60.4	132.8	166	171.2	0	0	0	0	109.5	L31 V36 L52 I60 V103 L234	L31-V57 HydrophobicContact CD2-CG2 4.21Å; L31-V57 CarbonylContact O-C 3.56Å; L31-V57 WeakPolarHBondContact O-CA 3.36Å; V36-V57 HydrophobicContact CB-CG1 4.34Å; V36-V57 HydrophobicContact CG2-CG1 3.72Å; L52-V57 HydrophobicContact CB-CB 4.43Å; L52-V57 HydrophobicContact CB-CG2 3.95Å; L52-V57 HydrophobicContact CD2-CG2 3.82Å; L52-V57 HydrophobicContact CG-CG2 4.45Å; L52-V57 PolarHBondContact O-N 3.25Å; L52-V57 VanDerWaalsContact O-N 3.13Å; V57-I60 HydrophobicContact CB-CD1 4.38Å; V57-I60 HydrophobicContact CB-CG1 4.2Å; V57-I60 HydrophobicContact CG1-CG1 3.89Å; V57-V103 VanDerWaalsContact O-CG1 3.26Å; V57-V103 WeakPolarHBondContact O-CG1 3.29Å; V57-V103 WeakPolarHBondContact O-CG2 3.44Å; V57-L234 HydrophobicContact CG1-CD1 4.45Å; V57-L234 HydrophobicContact CG2-CD1 4.02Å
58	G	98.5	Very high	98.3	Very high	15 Å²	15	22 Å²	22	16%	0.155	12%	0.115	C	C	.	.	S	Bend	trans	-62.9	-47.6	-173.3	0	0	0	0	0	115	L31 R32 G34 G56 N104	L31-G58 PolarHBondContact O-N 2.87Å; R32-G58 WeakPolarHBondContact O-CA 3.35Å; G34-G58 PolarHBondContact O-N 3.2Å; G56-G58 PolarHBondContact O-N 2.96Å; G58-N104 WeakPolarHBondContact O-CB 3.34Å; G58-N104 PolarHBondContact O-N 2.89Å
59	T	98.9	Very high	98.1	Very high	11 Å²	11	26.7 Å²	26.7	7%	0.067	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	130.4	178	-62.8	0	0	0	0	111.2	G34 R35 V36 N104 Q106 Y124	G34-T59 PolarHBondContact O-N 3.19Å; R35-T59 CarbonylContact C-O 3.59Å; R35-T59 WeakPolarHBondContact CA-O 3.37Å; V36-T59 PolarHBondContact N-O 3.49Å; T59-N104 CarbonylContact C-O 3.58Å; T59-N104 VanDerWaalsContact CA-O 3.23Å; T59-N104 WeakPolarHBondContact CA-O 3.34Å; T59-N104 WeakPolarHBondContact CG2-ND2 3.4Å; T59-N104 PolarHBondContact OG1-ND2 2.85Å; T59-Q106 HydrophobicContact CG2-CG 3.87Å; T59-Y124 HydrophobicContact CG2-CE1 4.28Å
60	I	98.9	Very high	97.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	115	174.3	-56.4	174.7	0	0	0	108.6	V36 I38 L52 A53 V57 L62 V103 N104 I105 Q106	V36-I60 CarbonylContact O-C 3.44Å; V36-I60 WeakPolarHBondContact O-CA 3.4Å; I38-I60 HydrophobicContact CD1-CG2 3.83Å; I38-I60 HydrophobicContact CG1-CG2 4.36Å; L52-I60 HydrophobicContact CB-CD1 3.8Å; A53-I60 HydrophobicContact CB-CD1 3.94Å; V57-I60 HydrophobicContact CB-CD1 4.38Å; V57-I60 HydrophobicContact CB-CG1 4.2Å; V57-I60 HydrophobicContact CG1-CG1 3.89Å; I60-L62 HydrophobicContact CG2-CD2 3.79Å; I60-L62 HydrophobicContact CG2-CG 4.36Å; I60-V103 HydrophobicContact CD1-CG1 3.94Å; I60-V103 HydrophobicContact CG1-CG1 4.06Å; I60-N104 PolarHBondContact N-O 3.19Å; I60-I105 HydrophobicContact CB-CD1 3.84Å; I60-I105 HydrophobicContact CD1-CD1 4.22Å; I60-I105 HydrophobicContact CG1-CD1 4.39Å; I60-I105 CarbonylContact O-C 3.58Å; I60-I105 WeakPolarHBondContact O-CA 3.22Å; I60-Q106 PolarHBondContact O-N 2.93Å
61	G	98.9	Very high	97.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	133	167.3	0	0	0	0	0	110.7	V36 I38 Q106 Y124	V36-G61 PolarHBondContact O-N 2.92Å; I38-G61 PolarHBondContact N-O 3.01Å; G61-Q106 CarbonylContact C-O 3.59Å; G61-Q106 VanDerWaalsContact CA-O 3.32Å; G61-Q106 WeakPolarHBondContact CA-O 3.29Å; G61-Y124 VanDerWaalsContact CA-OH 3.32Å; G61-Y124 WeakPolarHBondContact CA-OH 3.43Å
62	L	98.9	Very high	97.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.8	177	-60.6	-180	0	0	0	108.6	I38 A49 I60 V89 L92 A93 I105 Q106 H108	I38-L62 HydrophobicContact CB-CD2 4.14Å; I38-L62 HydrophobicContact CD1-CD2 4.12Å; A49-L62 HydrophobicContact CB-CD2 4.01Å; I60-L62 HydrophobicContact CG2-CD2 3.79Å; I60-L62 HydrophobicContact CG2-CG 4.36Å; L62-V89 HydrophobicContact CB-CB 4.4Å; L62-V89 HydrophobicContact CB-CG1 4.17Å; L62-L92 HydrophobicContact CD1-CB 4.02Å; L62-L92 HydrophobicContact CD1-CD2 4.17Å; L62-L92 HydrophobicContact CD1-CG 3.91Å; L62-L92 HydrophobicContact CD2-CD2 4Å; L62-L92 HydrophobicContact CD2-CG 4.47Å; L62-A93 HydrophobicContact CD1-CB 4.17Å; L62-I105 HydrophobicContact CD1-CG2 3.74Å; L62-I105 HydrophobicContact CG-CG2 4.14Å; L62-Q106 PolarHBondContact N-O 2.83Å; L62-H108 WeakPolarHBondContact O-CA 3.27Å; L62-H108 WeakPolarHBondContact O-CB 3.28Å; L62-H108 PolarHBondContact O-N 2.96Å
63	V	98.7	Very high	97.2	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.018	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	117.9	177.6	-178.3	0	0	0	0	109.2	L37 I38 V39 G40 H108 I110 L112 I120	L37-V63 HydrophobicContact CD1-CG2 3.54Å; L37-V63 HydrophobicContact CD2-CG2 4.48Å; L37-V63 HydrophobicContact CG-CG2 4.25Å; I38-V63 PolarHBondContact O-N 3.06Å; V39-V63 HydrophobicContact CG1-CB 4.43Å; V39-V63 HydrophobicContact CG1-CG1 4.48Å; G40-V63 PolarHBondContact N-O 3.34Å; V63-H108 HydrophobicContact CB-CB 4.37Å; V63-H108 HydrophobicContact CG2-CB 3.8Å; V63-I110 HydrophobicContact CG1-CG1 4.5Å; V63-I110 WeakPolarHBondContact CG1-O 3.47Å; V63-L112 HydrophobicContact CG1-CB 4.14Å; V63-L112 HydrophobicContact CG1-CD1 4.29Å; V63-I120 HydrophobicContact CG2-CG2 4.31Å
64	D	97.9	Very high	96.9	Very high	18 Å²	18	35.4 Å²	35.4	10%	0.096	19%	0.187	C	C	.	.			trans	-166.6	146.1	173.7	-154.7	-64.2	0	0	0	108.7	C41 D66 K88 V89 H108	C41-D64 HydrophobicContact CB-CB 3.84Å; C41-D64 PolarHBondContact N-OD2 2.83Å; D64-D66 VanDerWaalsContact OD1-CB 3.31Å; D64-D66 WeakPolarHBondContact OD1-CB 3.14Å; D64-D66 PolarHBondContact OD1-N 3.47Å; D64-K88 HydrophobicContact CB-CB 4.42Å; D64-V89 HydrophobicContact CB-CG1 3.66Å; D64-V89 VanDerWaalsContact N-CG1 3.31Å; D64-V89 WeakPolarHBondContact O-CG1 3.46Å; D64-H108 PolarHBondContact N-O 2.87Å
65	D	95.8	Very high	96.8	Very high	66 Å²	66	36 Å²	36	35%	0.353	18%	0.181	S	C	.	.			trans	-111.7	-1.2	176.7	65.3	-43.4	0	0	0	113.7	H111	D65-H111 HydrophobicContact CB-CB 4.28Å; D65-H111 IonicContact OD1-ND1 3.4Å; D65-H111 PolarHBondContact OD1-ND1 2.67Å; D65-H111 IonicContact OD2-CG 2.72Å; D65-H111 IonicContact OD2-ND1 3.67Å; D65-H111 PolarHBondContact OD2-ND1 3.01Å
66	D	95.5	Very high	96.8	Very high	23 Å²	23	36 Å²	36	12%	0.123	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-85.7	161.5	179.7	-76.3	-22.6	0	0	0	113.2	D64 K88 K297	D64-D66 VanDerWaalsContact OD1-CB 3.31Å; D64-D66 WeakPolarHBondContact OD1-CB 3.14Å; D64-D66 PolarHBondContact OD1-N 3.47Å; D66-K88 HydrophobicContact CB-CD 3.81Å; D66-K88 HydrophobicContact CB-CG 4.39Å; D66-K88 VanDerWaalsContact CB-NZ 3.29Å; D66-K88 WeakPolarHBondContact O-CG 3.32Å; D66-K88 PolarHBondContact O-N 2.94Å; D66-K88 IonicContact OD2-NZ 3.67Å; D66-K88 PolarHBondContact OD2-NZ 2.77Å; D66-K88 VanDerWaalsContact OD2-NZ 3.1Å; D66-K297 WeakPolarHBondContact OD1-CE 3.36Å; D66-K297 IonicContact OD1-NZ 2.96Å; D66-K297 PolarHBondContact OD1-NZ 3.28Å
67	K	97.5	Very high	96.6	Very high	113 Å²	113	41.1 Å²	41.1	49%	0.491	21%	0.211	S	C	.	.	B	Isolated β-bridge	trans	-96.9	157	168.2	-67.6	176.5	175.4	-174.7	0	111	E69 N85 M86 L87 K88	K67-E69 PolarHBondContact O-N 2.85Å; K67-N85 WeakPolarHBondContact CD-O 3.16Å; K67-M86 CarbonylContact C-O 3.56Å; K67-M86 VanDerWaalsContact CA-O 3.23Å; K67-M86 WeakPolarHBondContact CA-O 3.31Å; K67-L87 HydrophobicContact CG-CD2 3.91Å; K67-K88 VanDerWaalsContact O-CE 3.26Å; K67-K88 WeakPolarHBondContact O-CE 3.32Å
68	V	97.9	Very high	96.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-67.4	125.3	170.3	179.6	0	0	0	0	109	L73 H79 T83 I84 N85 M86 K88	V68-L73 HydrophobicContact CG1-CD2 3.86Å; V68-H79 HydrophobicContact CG1-CB 3.81Å; V68-H79 HydrophobicContact CG2-CB 4Å; V68-T83 VanDerWaalsContact CB-O 3.28Å; V68-T83 WeakPolarHBondContact CB-O 3.5Å; V68-I84 HydrophobicContact CG1-CG1 4.34Å; V68-N85 PolarHBondContact O-N 3.47Å; V68-M86 PolarHBondContact N-O 2.81Å; V68-K88 HydrophobicContact CG2-CG 4.13Å
69	E	95.3	Very high	96.6	Very high	100 Å²	100	41.5 Å²	41.5	47%	0.467	21%	0.21	S	C	.	.			trans	-118.6	152.9	176	-62.5	178	120.7	0	0	110.3	K67 N71 N72	K67-E69 PolarHBondContact O-N 2.85Å; E69-N71 VanDerWaalsContact C-N 3.31Å; E69-N71 WeakPolarHBondContact CB-OD1 3.36Å; E69-N71 PolarHBondContact O-N 2.97Å; E69-N72 VanDerWaalsContact O-CB 3.24Å; E69-N72 WeakPolarHBondContact O-CB 3.37Å; E69-N72 PolarHBondContact O-N 3.44Å
70	L	94.9	Very high	96.6	Very high	117 Å²	117	43 Å²	43	61%	0.613	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-57.5	-43.5	-178.1	-178.6	63.8	0	0	0	112.5	N72 L73 I84	L70-N72 PolarHBondContact O-N 3.1Å; L70-N72 VanDerWaalsContact O-N 3.1Å; L70-L73 HydrophobicContact CD1-CD1 4.18Å; L70-L73 PolarHBondContact O-N 3.02Å; L70-L73 VanDerWaalsContact O-N 3.16Å; L70-I84 HydrophobicContact CB-CD1 4.25Å; L70-I84 HydrophobicContact CD1-CD1 4.07Å
71	N	91.4	Very high	96.5	Very high	80 Å²	80	50 Å²	50	43%	0.428	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-69.1	-4.8	179.1	70.2	-9	0	0	0	113.6	E69 H74 R75	E69-N71 VanDerWaalsContact C-N 3.31Å; E69-N71 WeakPolarHBondContact CB-OD1 3.36Å; E69-N71 PolarHBondContact O-N 2.97Å; N71-H74 PolarHBondContact O-CE1 3.24Å; N71-H74 PolarHBondContact O-ND1 2.8Å; N71-R75 PolarHBondContact O-NH1 3.47Å
72	N	92.5	Very high	96.5	Very high	8 Å²	8	55.4 Å²	55.4	4%	0.043	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-86.7	-26.3	174.9	-74.6	-149.9	0	0	0	111.4	E69 L70 H74 R75 Q76 K88	E69-N72 VanDerWaalsContact O-CB 3.24Å; E69-N72 WeakPolarHBondContact O-CB 3.37Å; E69-N72 PolarHBondContact O-N 3.44Å; L70-N72 PolarHBondContact O-N 3.1Å; L70-N72 VanDerWaalsContact O-N 3.1Å; N72-H74 VanDerWaalsContact C-N 3.27Å; N72-H74 PolarHBondContact O-N 2.91Å; N72-H74 VanDerWaalsContact O-N 3.16Å; N72-R75 PolarHBondContact O-N 3.33Å; N72-Q76 HydrophobicContact CB-CG 4.19Å; N72-Q76 VanDerWaalsContact CG-NE2 3.31Å; N72-Q76 WeakPolarHBondContact O-CB 3.46Å; N72-Q76 WeakPolarHBondContact O-CG 3.3Å; N72-Q76 PolarHBondContact O-N 3.17Å; N72-Q76 PolarHBondContact OD1-NE2 2.88Å; N72-Q76 PolarHBondContact OD1-OE1 2.78Å; N72-K88 WeakPolarHBondContact OD1-CE 3.38Å; N72-K88 PolarHBondContact OD1-NZ 2.82Å; N72-K88 VanDerWaalsContact OD1-NZ 3.1Å
73	L	96.4	Very high	96.5	Very high	36 Å²	36	56.7 Å²	56.7	19%	0.188	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-19.9	-167	-60.3	-173.6	0	0	0	114.7	V68 L70 R75 H79 E81 I84	V68-L73 HydrophobicContact CG1-CD2 3.86Å; L70-L73 HydrophobicContact CD1-CD1 4.18Å; L70-L73 PolarHBondContact O-N 3.02Å; L70-L73 VanDerWaalsContact O-N 3.16Å; L73-R75 PolarHBondContact O-N 3.31Å; L73-H79 HydrophobicContact CD2-CB 3.77Å; L73-E81 HydrophobicContact CD1-CB 4.45Å; L73-E81 HydrophobicContact CD1-CG 3.71Å; L73-I84 HydrophobicContact CD1-CD1 4.45Å
74	H	94.2	Very high	96.4	Very high	107 Å²	107	59.2 Å²	59.2	50%	0.495	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-16	176.3	68.3	-96.6	0	0	0	114	N71 N72	N71-H74 PolarHBondContact O-CE1 3.24Å; N71-H74 PolarHBondContact O-ND1 2.8Å; N72-H74 VanDerWaalsContact C-N 3.27Å; N72-H74 PolarHBondContact O-N 2.91Å; N72-H74 VanDerWaalsContact O-N 3.16Å
75	R	95.5	Very high	96.4	Very high	51 Å²	51	64.1 Å²	64.1	19%	0.192	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.8	-16.1	179.9	71	-173	-177.6	-73	-0.3	114.3	G43 N71 N72 L73 V214 P219	G43-R75 WeakPolarHBondContact CA-O 3.48Å; N71-R75 PolarHBondContact O-NH1 3.47Å; N72-R75 PolarHBondContact O-N 3.33Å; L73-R75 PolarHBondContact O-N 3.31Å; R75-V214 VanDerWaalsContact CD-CG1 3.47Å; R75-P219 HydrophobicContact CB-CG 4.5Å
76	Q	97.3	Very high	96.6	Very high	4 Å²	4	63.7 Å²	63.7	2%	0.019	34%	0.335	C	S	.	.			trans	-103.9	66.2	-177.3	-54.6	-174.2	17.9	0	0	110.6	G42 N72 A78 H79	G42-Q76 VanDerWaalsContact CA-CD 3.48Å; N72-Q76 HydrophobicContact CB-CG 4.19Å; N72-Q76 VanDerWaalsContact CG-NE2 3.31Å; N72-Q76 WeakPolarHBondContact O-CB 3.46Å; N72-Q76 WeakPolarHBondContact O-CG 3.3Å; N72-Q76 PolarHBondContact O-N 3.17Å; N72-Q76 PolarHBondContact OD1-NE2 2.88Å; N72-Q76 PolarHBondContact OD1-OE1 2.78Å; Q76-A78 PolarHBondContact O-N 3.21Å; Q76-A78 VanDerWaalsContact O-N 3.1Å; Q76-H79 PolarHBondContact O-N 2.68Å; Q76-H79 PolarHBondContact OE1-CD2 3.31Å
77	V	96.1	Very high	96.7	Very high	111 Å²	111	64.5 Å²	64.5	67%	0.673	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-3.5	-163.8	-59.4	0	0	0	0	115.8
78	A	98.1	Very high	96.8	Very high	11 Å²	11	59.5 Å²	59.5	9%	0.091	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-16.9	171.4	0	0	0	0	0	112.3	C46 V50 Q76 L92 R95	C46-A78 HydrophobicContact CB-CB 3.71Å; V50-A78 HydrophobicContact CG2-CB 3.84Å; Q76-A78 PolarHBondContact O-N 3.21Å; Q76-A78 VanDerWaalsContact O-N 3.1Å; A78-L92 HydrophobicContact CB-CD1 3.53Å; A78-R95 HydrophobicContact CB-CG 4.13Å
79	H	98.5	Very high	96.8	Very high	12 Å²	12	59.5 Å²	59.5	6%	0.056	32%	0.317	C	S	.	.	S	Bend	trans	-86.8	166.6	169.2	-55.6	-44.9	0	0	0	110.7	C41 V68 L73 Q76 K88 S91	C41-H79 PolarHBondContact O-NE2 2.97Å; V68-H79 HydrophobicContact CG1-CB 3.81Å; V68-H79 HydrophobicContact CG2-CB 4Å; L73-H79 HydrophobicContact CD2-CB 3.77Å; Q76-H79 PolarHBondContact O-N 2.68Å; Q76-H79 PolarHBondContact OE1-CD2 3.31Å; H79-K88 PolarHBondContact CE1-O 3.32Å; H79-S91 WeakPolarHBondContact ND1-CB 3.42Å; H79-S91 PolarHBondContact ND1-OG 3.39Å
80	S	97.8	Very high	97	Very high	42 Å²	42	57.6 Å²	57.6	29%	0.294	31%	0.308	S	S	.	.			trans	-142.7	166.3	-175.5	65	0	0	0	0	111.1	S82 T83 I84	S80-S82 PolarHBondContact O-N 2.94Å; S80-S82 PolarHBondContact OG-OG 3Å; S80-T83 PolarHBondContact N-OG1 3.1Å; S80-T83 PolarHBondContact O-N 3.38Å; S80-T83 PolarHBondContact O-OG1 2.91Å; S80-T83 VanDerWaalsContact O-OG1 3.1Å; S80-T83 WeakPolarHBondContact OG-CG2 3.43Å; S80-T83 PolarHBondContact OG-N 2.98Å; S80-T83 PolarHBondContact OG-OG1 3.03Å; S80-I84 PolarHBondContact O-N 2.76Å
81	E	98.2	Very high	97.2	Very high	149 Å²	149	52.2 Å²	52.2	70%	0.696	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-59.1	-34.7	172.2	-67.8	-174.6	178.8	0	0	112	L73 T83 I84	L73-E81 HydrophobicContact CD1-CB 4.45Å; L73-E81 HydrophobicContact CD1-CG 3.71Å; E81-T83 PolarHBondContact O-N 3.14Å; E81-I84 HydrophobicContact CB-CD1 4.33Å; E81-I84 WeakPolarHBondContact O-CD1 3.42Å; E81-I84 WeakPolarHBondContact O-CG1 3.44Å; E81-I84 PolarHBondContact O-N 3.27Å
82	S	98.2	Very high	97.5	Very high	113 Å²	113	48.4 Å²	48.4	79%	0.79	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-67.7	-17	175.5	43.3	0	0	0	0	114.3	S80	S80-S82 PolarHBondContact O-N 2.94Å; S80-S82 PolarHBondContact OG-OG 3Å
83	T	98.2	Very high	97.8	Very high	26 Å²	26	48.3 Å²	48.3	16%	0.16	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-104.4	8.7	178.9	59.8	0	0	0	0	113.2	V68 S80 E81 N85 M86 S91	V68-T83 VanDerWaalsContact CB-O 3.28Å; V68-T83 WeakPolarHBondContact CB-O 3.5Å; S80-T83 PolarHBondContact N-OG1 3.1Å; S80-T83 PolarHBondContact O-N 3.38Å; S80-T83 PolarHBondContact O-OG1 2.91Å; S80-T83 VanDerWaalsContact O-OG1 3.1Å; S80-T83 WeakPolarHBondContact OG-CG2 3.43Å; S80-T83 PolarHBondContact OG-N 2.98Å; S80-T83 PolarHBondContact OG-OG1 3.03Å; E81-T83 PolarHBondContact O-N 3.14Å; T83-N85 PolarHBondContact O-N 2.93Å; T83-M86 HydrophobicContact CG2-SD 3.98Å; T83-M86 WeakPolarHBondContact O-CB 3.35Å; T83-M86 PolarHBondContact O-N 3.29Å; T83-S91 WeakPolarHBondContact CB-OG 3.3Å; T83-S91 PolarHBondContact OG1-OG 2.84Å
84	I	98.3	Very high	97.9	Very high	57 Å²	57	50 Å²	50	29%	0.292	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	139.6	172.4	-68.2	170.6	0	0	0	110.1	V68 L70 L73 S80 E81 M86	V68-I84 HydrophobicContact CG1-CG1 4.34Å; L70-I84 HydrophobicContact CB-CD1 4.25Å; L70-I84 HydrophobicContact CD1-CD1 4.07Å; L73-I84 HydrophobicContact CD1-CD1 4.45Å; S80-I84 PolarHBondContact O-N 2.76Å; E81-I84 HydrophobicContact CB-CD1 4.33Å; E81-I84 WeakPolarHBondContact O-CD1 3.42Å; E81-I84 WeakPolarHBondContact O-CG1 3.44Å; E81-I84 PolarHBondContact O-N 3.27Å; I84-M86 PolarHBondContact O-N 2.9Å
85	N	97.8	Very high	98.1	Very high	120 Å²	120	49.9 Å²	49.9	64%	0.642	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	-5.7	-172.6	-59.7	-51.4	0	0	0	116.4	K67 V68 T83	K67-N85 WeakPolarHBondContact CD-O 3.16Å; V68-N85 PolarHBondContact O-N 3.47Å; T83-N85 PolarHBondContact O-N 2.93Å
86	M	98.5	Very high	98.3	Very high	57 Å²	57	47.5 Å²	47.5	28%	0.281	26%	0.256	S	S	.	.	S	Bend	trans	-73.6	147.9	168.1	-166.6	174.2	-171.9	0	0	110	K67 V68 T83 I84 K88 H90 D94	K67-M86 CarbonylContact C-O 3.56Å; K67-M86 VanDerWaalsContact CA-O 3.23Å; K67-M86 WeakPolarHBondContact CA-O 3.31Å; V68-M86 PolarHBondContact N-O 2.81Å; T83-M86 HydrophobicContact CG2-SD 3.98Å; T83-M86 WeakPolarHBondContact O-CB 3.35Å; T83-M86 PolarHBondContact O-N 3.29Å; I84-M86 PolarHBondContact O-N 2.9Å; M86-K88 PolarHBondContact O-N 3.14Å; M86-H90 HydrophobicContact CE-CB 3.46Å; M86-H90 VanDerWaalsContact CE-CB 3.46Å; M86-H90 HydrophobicContact CG-CB 4.22Å; M86-H90 HydrophobicContact SD-CB 4.49Å; M86-D94 WeakPolarHBondContact CE-OD2 3.18Å
87	L	98.6	Very high	98.3	Very high	40 Å²	40	51.1 Å²	51.1	21%	0.209	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-61.1	135.8	170.4	-69	170.8	0	0	0	109.9	K67 V89 H90 S91 E109	K67-L87 HydrophobicContact CG-CD2 3.91Å; L87-V89 HydrophobicContact CB-CG2 4.13Å; L87-V89 PolarHBondContact O-N 3.3Å; L87-H90 PolarHBondContact O-N 2.76Å; L87-S91 PolarHBondContact O-N 3.04Å; L87-E109 HydrophobicContact CD1-CB 4.22Å; L87-E109 HydrophobicContact CD1-CG 3.77Å; L87-E109 WeakPolarHBondContact CD1-OE2 3.47Å
88	K	98.7	Very high	98.4	Very high	8 Å²	8	52.5 Å²	52.5	4%	0.035	27%	0.273	C	S	.	.	H	α-helix	trans	-57.5	-40.3	-177.7	-71.1	-178.9	-175.2	157.7	0	111.4	C41 D64 D66 K67 V68 N72 H79 M86 H90 S91 L92	C41-K88 HydrophobicContact CB-CB 3.81Å; D64-K88 HydrophobicContact CB-CB 4.42Å; D66-K88 HydrophobicContact CB-CD 3.81Å; D66-K88 HydrophobicContact CB-CG 4.39Å; D66-K88 VanDerWaalsContact CB-NZ 3.29Å; D66-K88 WeakPolarHBondContact O-CG 3.32Å; D66-K88 PolarHBondContact O-N 2.94Å; D66-K88 IonicContact OD2-NZ 3.67Å; D66-K88 PolarHBondContact OD2-NZ 2.77Å; D66-K88 VanDerWaalsContact OD2-NZ 3.1Å; K67-K88 VanDerWaalsContact O-CE 3.26Å; K67-K88 WeakPolarHBondContact O-CE 3.32Å; V68-K88 HydrophobicContact CG2-CG 4.13Å; N72-K88 WeakPolarHBondContact OD1-CE 3.38Å; N72-K88 PolarHBondContact OD1-NZ 2.82Å; N72-K88 VanDerWaalsContact OD1-NZ 3.1Å; H79-K88 PolarHBondContact CE1-O 3.32Å; M86-K88 PolarHBondContact O-N 3.14Å; K88-H90 VanDerWaalsContact C-N 3.32Å; K88-H90 PolarHBondContact O-N 3.07Å; K88-S91 PolarHBondContact O-N 3.13Å; K88-L92 VanDerWaalsContact O-CB 3.31Å; K88-L92 WeakPolarHBondContact O-CB 3.37Å; K88-L92 PolarHBondContact O-N 3.37Å
89	V	98.7	Very high	98.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-58.5	-41.1	176.9	-67.6	0	0	0	0	112.7	L62 D64 L87 A93 A107 E109	L62-V89 HydrophobicContact CB-CB 4.4Å; L62-V89 HydrophobicContact CB-CG1 4.17Å; D64-V89 HydrophobicContact CB-CG1 3.66Å; D64-V89 VanDerWaalsContact N-CG1 3.31Å; D64-V89 WeakPolarHBondContact O-CG1 3.46Å; L87-V89 HydrophobicContact CB-CG2 4.13Å; L87-V89 PolarHBondContact O-N 3.3Å; V89-A93 WeakPolarHBondContact O-CB 3.13Å; V89-A93 PolarHBondContact O-N 3.23Å; V89-A107 HydrophobicContact CB-CB 4.09Å; V89-A107 HydrophobicContact CG2-CB 4.18Å; V89-E109 HydrophobicContact CG2-CB 4.3Å; V89-E109 HydrophobicContact CG2-CG 3.49Å; V89-E109 VanDerWaalsContact CG2-CG 3.49Å
90	H	98.7	Very high	98.4	Very high	60 Å²	60	54.2 Å²	54.2	28%	0.278	28%	0.281	S	S	.	.	H	α-helix	trans	-74.2	-45.5	178.4	-64.8	-46.6	0	0	0	111.8	M86 L87 K88 L92 A93 D94 E109	M86-H90 HydrophobicContact CE-CB 3.46Å; M86-H90 VanDerWaalsContact CE-CB 3.46Å; M86-H90 HydrophobicContact CG-CB 4.22Å; M86-H90 HydrophobicContact SD-CB 4.49Å; L87-H90 PolarHBondContact O-N 2.76Å; K88-H90 VanDerWaalsContact C-N 3.32Å; K88-H90 PolarHBondContact O-N 3.07Å; H90-L92 PolarHBondContact O-N 3.04Å; H90-A93 PolarHBondContact O-N 2.95Å; H90-A93 VanDerWaalsContact O-N 3.14Å; H90-D94 PolarHBondContact O-N 3.2Å; H90-E109 VanDerWaalsContact CE1-CD 3.48Å; H90-E109 IonicContact CE1-OE1 3.11Å; H90-E109 PolarHBondContact CE1-OE1 2.98Å; H90-E109 IonicContact NE2-OE1 2.78Å; H90-E109 PolarHBondContact NE2-OE1 3.48Å; H90-E109 IonicContact NE2-OE2 3.52Å
91	S	98.7	Very high	98.4	Very high	5 Å²	5	56.9 Å²	56.9	4%	0.035	30%	0.299	C	S	.	.	H	α-helix	trans	-58.5	-40.3	177.9	173.7	0	0	0	0	111.5	H79 T83 L87 K88 R95	H79-S91 WeakPolarHBondContact ND1-CB 3.42Å; H79-S91 PolarHBondContact ND1-OG 3.39Å; T83-S91 WeakPolarHBondContact CB-OG 3.3Å; T83-S91 PolarHBondContact OG1-OG 2.84Å; L87-S91 PolarHBondContact O-N 3.04Å; K88-S91 PolarHBondContact O-N 3.13Å; S91-R95 WeakPolarHBondContact O-CB 3.41Å; S91-R95 PolarHBondContact O-N 3.33Å
92	L	98.8	Very high	98.3	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-73.9	-36.6	177.1	-175	55.1	0	0	0	112.2	C41 A49 V50 L62 A78 K88 H90 R95 C96	C41-L92 HydrophobicContact CB-CD2 3.83Å; A49-L92 HydrophobicContact CB-CD1 4.04Å; A49-L92 HydrophobicContact CB-CD2 3.75Å; A49-L92 HydrophobicContact CB-CG 3.98Å; V50-L92 HydrophobicContact CG2-CD1 4.22Å; L62-L92 HydrophobicContact CD1-CB 4.02Å; L62-L92 HydrophobicContact CD1-CD2 4.17Å; L62-L92 HydrophobicContact CD1-CG 3.91Å; L62-L92 HydrophobicContact CD2-CD2 4Å; L62-L92 HydrophobicContact CD2-CG 4.47Å; A78-L92 HydrophobicContact CB-CD1 3.53Å; K88-L92 VanDerWaalsContact O-CB 3.31Å; K88-L92 WeakPolarHBondContact O-CB 3.37Å; K88-L92 PolarHBondContact O-N 3.37Å; H90-L92 PolarHBondContact O-N 3.04Å; L92-R95 PolarHBondContact O-N 3.48Å; L92-C96 PolarHBondContact O-N 3.03Å; L92-C96 PolarHBondContact O-SG 3.39Å
93	A	98.8	Very high	98.3	Very high	6 Å²	6	48.6 Å²	48.6	5%	0.05	25%	0.249	C	C	.	.	H	α-helix	trans	-60.5	-50.4	174.5	0	0	0	0	0	111.7	L62 V89 H90 R95 C96 M97 I105	L62-A93 HydrophobicContact CD1-CB 4.17Å; V89-A93 WeakPolarHBondContact O-CB 3.13Å; V89-A93 PolarHBondContact O-N 3.23Å; H90-A93 PolarHBondContact O-N 2.95Å; H90-A93 VanDerWaalsContact O-N 3.14Å; A93-R95 VanDerWaalsContact C-N 3.27Å; A93-R95 PolarHBondContact O-N 3.49Å; A93-C96 PolarHBondContact O-N 3.2Å; A93-C96 VanDerWaalsContact O-N 3.1Å; A93-M97 HydrophobicContact CB-CE 4.29Å; A93-M97 WeakPolarHBondContact O-CG 3.31Å; A93-M97 PolarHBondContact O-N 3.48Å; A93-I105 HydrophobicContact CB-CB 4.27Å; A93-I105 HydrophobicContact CB-CG2 3.51Å
94	D	98.6	Very high	98.3	Very high	71 Å²	71	50.6 Å²	50.6	38%	0.38	26%	0.258	S	S	.	.	H	α-helix	trans	-56.5	-46.1	176.9	-70.5	-11.7	0	0	0	110.2	M86 H90 C96 M97 E98	M86-D94 WeakPolarHBondContact CE-OD2 3.18Å; H90-D94 PolarHBondContact O-N 3.2Å; D94-C96 VanDerWaalsContact C-N 3.31Å; D94-C96 PolarHBondContact O-N 3.34Å; D94-M97 PolarHBondContact O-N 3Å; D94-M97 WeakPolarHBondContact OD1-CE 3.39Å; D94-E98 WeakPolarHBondContact O-CB 3.04Å; D94-E98 WeakPolarHBondContact O-CG 3.28Å; D94-E98 PolarHBondContact O-N 3.22Å
95	R	98.7	Very high	98.3	Very high	105 Å²	105	48.9 Å²	48.9	40%	0.396	25%	0.25	S	C	.	.	H	α-helix	trans	-60.4	-39.3	177.9	-177.3	56.9	-175.6	158.2	1	113.2	V50 A78 S91 L92 A93 E98 L99	V50-R95 HydrophobicContact CG2-CG 4.21Å; A78-R95 HydrophobicContact CB-CG 4.13Å; S91-R95 WeakPolarHBondContact O-CB 3.41Å; S91-R95 PolarHBondContact O-N 3.33Å; L92-R95 PolarHBondContact O-N 3.48Å; A93-R95 VanDerWaalsContact C-N 3.27Å; A93-R95 PolarHBondContact O-N 3.49Å; R95-E98 IonicContact NH1-OE2 3.99Å; R95-E98 PolarHBondContact NH1-OE2 3.43Å; R95-E98 VanDerWaalsContact NH1-OE2 3.11Å; R95-L99 PolarHBondContact O-N 2.89Å
96	C	98.7	Very high	98.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-70.1	-41.2	177.2	-67.7	0	0	0	0	111.6	A53 L92 A93 D94 L99 N100 I105	A53-C96 HydrophobicContact CB-CB 3.8Å; L92-C96 PolarHBondContact O-N 3.03Å; L92-C96 PolarHBondContact O-SG 3.39Å; A93-C96 PolarHBondContact O-N 3.2Å; A93-C96 VanDerWaalsContact O-N 3.1Å; D94-C96 VanDerWaalsContact C-N 3.31Å; D94-C96 PolarHBondContact O-N 3.34Å; C96-L99 PolarHBondContact O-N 3.27Å; C96-N100 PolarHBondContact O-N 2.74Å; C96-I105 HydrophobicContact CB-CD1 3.74Å; C96-I105 HydrophobicContact CB-CG1 4.1Å
97	M	98.3	Very high	98.4	Very high	80 Å²	80	46 Å²	46	39%	0.394	24%	0.239	S	C	.	.	H	α-helix	trans	-69.7	-34.4	179.2	-69.2	-174.6	-66.1	0	0	112.7	A93 D94 L99 N100 S101 I105	A93-M97 HydrophobicContact CB-CE 4.29Å; A93-M97 WeakPolarHBondContact O-CG 3.31Å; A93-M97 PolarHBondContact O-N 3.48Å; D94-M97 PolarHBondContact O-N 3Å; D94-M97 WeakPolarHBondContact OD1-CE 3.39Å; M97-L99 VanDerWaalsContact C-N 3.27Å; M97-L99 PolarHBondContact O-N 3.31Å; M97-N100 CarbonylContact O-C 3.42Å; M97-N100 PolarHBondContact O-N 2.99Å; M97-S101 WeakPolarHBondContact O-CA 3.32Å; M97-S101 PolarHBondContact O-N 3.48Å; M97-S101 VanDerWaalsContact O-N 3.14Å; M97-I105 HydrophobicContact CG-CG1 3.84Å
98	E	97.8	Very high	98.4	Very high	140 Å²	140	46.2 Å²	46.2	65%	0.654	24%	0.238	S	C	*	.	H	α-helix	trans	-59.6	-39.2	170.1	-78	177.4	178.9	0	0	112	D94 R95	D94-E98 WeakPolarHBondContact O-CB 3.04Å; D94-E98 WeakPolarHBondContact O-CG 3.28Å; D94-E98 PolarHBondContact O-N 3.22Å; R95-E98 IonicContact NH1-OE2 3.99Å; R95-E98 PolarHBondContact NH1-OE2 3.43Å; R95-E98 VanDerWaalsContact NH1-OE2 3.11Å
99	L	97.6	Very high	98.3	Very high	59 Å²	59	50.6 Å²	50.6	31%	0.309	26%	0.259	S	S	.	.	H	α-helix	trans	-76.5	-42.8	-179.7	-176.2	60.2	0	0	0	111.7	R13 V50 A54 R95 C96 M97	R13-L99 PolarHBondContact NH1-O 2.64Å; V50-L99 HydrophobicContact CG1-CD2 3.79Å; A54-L99 HydrophobicContact CB-CD2 3.76Å; A54-L99 HydrophobicContact CB-CG 4.45Å; R95-L99 PolarHBondContact O-N 2.89Å; C96-L99 PolarHBondContact O-N 3.27Å; M97-L99 VanDerWaalsContact C-N 3.27Å; M97-L99 PolarHBondContact O-N 3.31Å
100	N	98.2	Very high	98.2	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.275	C	S	.	.			trans	-149.8	94.3	-177.7	-166.3	-3.9	0	0	0	112.1	Y14 A53 C96 M97 E102 V103	Y14-N100 PolarHBondContact OH-ND2 3.34Å; A53-N100 WeakPolarHBondContact O-CB 3.34Å; A53-N100 PolarHBondContact O-ND2 3.05Å; C96-N100 PolarHBondContact O-N 2.74Å; M97-N100 CarbonylContact O-C 3.42Å; M97-N100 PolarHBondContact O-N 2.99Å; N100-E102 PolarHBondContact O-N 3.22Å; N100-E102 PolarHBondContact OD1-N 3.1Å; N100-V103 HydrophobicContact CB-CG2 4.04Å; N100-V103 WeakPolarHBondContact ND2-CG2 3.12Å; N100-V103 PolarHBondContact O-N 3.01Å
101	S	97.4	Very high	98	Very high	98 Å²	98	53.4 Å²	53.4	69%	0.685	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-8.1	-179.9	61.9	0	0	0	0	114.6	M97 V103	M97-S101 WeakPolarHBondContact O-CA 3.32Å; M97-S101 PolarHBondContact O-N 3.48Å; M97-S101 VanDerWaalsContact O-N 3.14Å; S101-V103 VanDerWaalsContact C-N 3.33Å
102	E	96.8	Very high	97.9	Very high	79 Å²	79	53.5 Å²	53.5	37%	0.369	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-13.5	175.9	-63.5	177.2	168.8	0	0	112.2	S9 E10 N100	S9-E102 WeakPolarHBondContact CB-OE1 3.31Å; S9-E102 PolarHBondContact OG-OE1 2.87Å; E10-E102 WeakPolarHBondContact CG-OE2 3.42Å; N100-E102 PolarHBondContact O-N 3.22Å; N100-E102 PolarHBondContact OD1-N 3.1Å
103	V	98.3	Very high	97.6	Very high	9 Å²	9	56.2 Å²	56.2	6%	0.055	29%	0.288	C	S	.	.	S	Bend	trans	-84.4	129.7	179.5	174.8	0	0	0	0	110.3	V57 I60 N100 S101 I105	V57-V103 VanDerWaalsContact O-CG1 3.26Å; V57-V103 WeakPolarHBondContact O-CG1 3.29Å; V57-V103 WeakPolarHBondContact O-CG2 3.44Å; I60-V103 HydrophobicContact CD1-CG1 3.94Å; I60-V103 HydrophobicContact CG1-CG1 4.06Å; N100-V103 HydrophobicContact CB-CG2 4.04Å; N100-V103 WeakPolarHBondContact ND2-CG2 3.12Å; N100-V103 PolarHBondContact O-N 3.01Å; S101-V103 VanDerWaalsContact C-N 3.33Å; V103-I105 HydrophobicContact CG1-CD1 3.65Å; V103-I105 HydrophobicContact CG1-CG1 4.5Å; V103-I105 PolarHBondContact O-N 3.26Å
104	N	98.7	Very high	97.3	Very high	68 Å²	68	58.6 Å²	58.6	36%	0.364	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	108.2	175.1	175.6	38.4	0	0	0	110.9	G58 T59 I60 Q106	G58-N104 WeakPolarHBondContact O-CB 3.34Å; G58-N104 PolarHBondContact O-N 2.89Å; T59-N104 CarbonylContact C-O 3.58Å; T59-N104 VanDerWaalsContact CA-O 3.23Å; T59-N104 WeakPolarHBondContact CA-O 3.34Å; T59-N104 WeakPolarHBondContact CG2-ND2 3.4Å; T59-N104 PolarHBondContact OG1-ND2 2.85Å; I60-N104 PolarHBondContact N-O 3.19Å; N104-Q106 PolarHBondContact ND2-NE2 3.07Å; N104-Q106 VanDerWaalsContact ND2-NE2 3.2Å; N104-Q106 PolarHBondContact OD1-NE2 3.4Å
105	I	98.8	Very high	97	Very high	22 Å²	22	61.9 Å²	61.9	11%	0.113	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	132.5	174.6	-50.7	-61.5	0	0	0	110.5	I60 L62 A93 C96 M97 V103	I60-I105 HydrophobicContact CB-CD1 3.84Å; I60-I105 HydrophobicContact CD1-CD1 4.22Å; I60-I105 HydrophobicContact CG1-CD1 4.39Å; I60-I105 CarbonylContact O-C 3.58Å; I60-I105 WeakPolarHBondContact O-CA 3.22Å; L62-I105 HydrophobicContact CD1-CG2 3.74Å; L62-I105 HydrophobicContact CG-CG2 4.14Å; A93-I105 HydrophobicContact CB-CB 4.27Å; A93-I105 HydrophobicContact CB-CG2 3.51Å; C96-I105 HydrophobicContact CB-CD1 3.74Å; C96-I105 HydrophobicContact CB-CG1 4.1Å; M97-I105 HydrophobicContact CG-CG1 3.84Å; V103-I105 HydrophobicContact CG1-CD1 3.65Å; V103-I105 HydrophobicContact CG1-CG1 4.5Å; V103-I105 PolarHBondContact O-N 3.26Å
106	Q	98.6	Very high	96.9	Very high	77 Å²	77	58.8 Å²	58.8	36%	0.36	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	103.9	177.3	-62	-69.7	-51.8	0	0	108.9	T59 I60 G61 L62 N104	T59-Q106 HydrophobicContact CG2-CG 3.87Å; I60-Q106 PolarHBondContact O-N 2.93Å; G61-Q106 CarbonylContact C-O 3.59Å; G61-Q106 VanDerWaalsContact CA-O 3.32Å; G61-Q106 WeakPolarHBondContact CA-O 3.29Å; L62-Q106 PolarHBondContact N-O 2.83Å; N104-Q106 PolarHBondContact ND2-NE2 3.07Å; N104-Q106 VanDerWaalsContact ND2-NE2 3.2Å; N104-Q106 PolarHBondContact OD1-NE2 3.4Å
107	A	98.6	Very high	96.8	Very high	40 Å²	40	58.8 Å²	58.8	33%	0.331	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	122.2	178.5	0	0	0	0	0	110.7	V89	V89-A107 HydrophobicContact CB-CB 4.09Å; V89-A107 HydrophobicContact CG2-CB 4.18Å
108	H	98.6	Very high	96.6	Very high	43 Å²	43	57 Å²	57	20%	0.199	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	92.1	172.9	-61.9	-82.5	0	0	0	108.3	L62 V63 D64 I110 Y124	L62-H108 WeakPolarHBondContact O-CA 3.27Å; L62-H108 WeakPolarHBondContact O-CB 3.28Å; L62-H108 PolarHBondContact O-N 2.96Å; V63-H108 HydrophobicContact CB-CB 4.37Å; V63-H108 HydrophobicContact CG2-CB 3.8Å; D64-H108 PolarHBondContact N-O 2.87Å; H108-I110 HydrophobicContact CB-CD1 4.36Å; H108-I110 HydrophobicContact CB-CG1 3.9Å; H108-I110 PolarHBondContact O-N 3.32Å; H108-Y124 AromaticContact NE2-CE2 3.96Å; H108-Y124 AromaticContact NE2-CZ 3.78Å; H108-Y124 PolarHBondContact NE2-OH 3.16Å
109	E	97.6	Very high	96.5	Very high	101 Å²	101	52.1 Å²	52.1	47%	0.472	29%	0.285	S	S	.	.			trans	-74.4	55.5	179.9	-61.4	165.3	-125.7	0	0	112	L87 V89 H90	L87-E109 HydrophobicContact CD1-CB 4.22Å; L87-E109 HydrophobicContact CD1-CG 3.77Å; L87-E109 WeakPolarHBondContact CD1-OE2 3.47Å; V89-E109 HydrophobicContact CG2-CB 4.3Å; V89-E109 HydrophobicContact CG2-CG 3.49Å; V89-E109 VanDerWaalsContact CG2-CG 3.49Å; H90-E109 VanDerWaalsContact CE1-CD 3.48Å; H90-E109 IonicContact CE1-OE1 3.11Å; H90-E109 PolarHBondContact CE1-OE1 2.98Å; H90-E109 IonicContact NE2-OE1 2.78Å; H90-E109 PolarHBondContact NE2-OE1 3.48Å; H90-E109 IonicContact NE2-OE2 3.52Å
110	I	96.5	Very high	96.5	Very high	64 Å²	64	50.1 Å²	50.1	33%	0.328	27%	0.274	S	S	.	.	S	Bend	trans	-143.3	148.8	-170.5	52.7	162	0	0	0	111.8	V63 H108 I120	V63-I110 HydrophobicContact CG1-CG1 4.5Å; V63-I110 WeakPolarHBondContact CG1-O 3.47Å; H108-I110 HydrophobicContact CB-CD1 4.36Å; H108-I110 HydrophobicContact CB-CG1 3.9Å; H108-I110 PolarHBondContact O-N 3.32Å; I110-I120 HydrophobicContact CD1-CD1 3.21Å; I110-I120 HydrophobicContact CD1-CG1 4.33Å; I110-I120 HydrophobicContact CG1-CD1 4.43Å
111	H	94.7	Very high	96.5	Very high	54 Å²	54	50.1 Å²	50.1	25%	0.25	27%	0.274	C	S	.	.			trans	-74.9	123.9	167.9	-166.8	73.2	0	0	0	109.3	D65 D113 N116 S294	D65-H111 HydrophobicContact CB-CB 4.28Å; D65-H111 IonicContact OD1-ND1 3.4Å; D65-H111 PolarHBondContact OD1-ND1 2.67Å; D65-H111 IonicContact OD2-CG 2.72Å; D65-H111 IonicContact OD2-ND1 3.67Å; D65-H111 PolarHBondContact OD2-ND1 3.01Å; H111-D113 PolarHBondContact O-N 3.02Å; H111-N116 PolarHBondContact O-ND2 2.99Å; H111-S294 PolarHBondContact CE1-O 3.48Å; H111-S294 VanDerWaalsContact CE1-O 3.23Å; H111-S294 PolarHBondContact CE1-OG 3.33Å; H111-S294 WeakPolarHBondContact NE2-CB 3.48Å; H111-S294 PolarHBondContact NE2-OG 3.37Å; H111-S294 VanDerWaalsContact NE2-OG 3.13Å
112	L	95.5	Very high	96.3	Very high	8 Å²	8	51.6 Å²	51.6	4%	0.042	27%	0.269	C	S	.	.			trans	-73.7	122.4	178.7	-162.6	77	0	0	0	110.2	V39 V63 N116 A117 I120 I121 L139 I140	V39-L112 HydrophobicContact CG1-CB 4.43Å; V39-L112 HydrophobicContact CG1-CD2 3.9Å; V39-L112 HydrophobicContact CG2-CD2 4.11Å; V63-L112 HydrophobicContact CG1-CB 4.14Å; V63-L112 HydrophobicContact CG1-CD1 4.29Å; L112-N116 WeakPolarHBondContact CA-OD1 3.43Å; L112-A117 HydrophobicContact CD1-CB 3.99Å; L112-A117 HydrophobicContact CD2-CB 4.25Å; L112-A117 HydrophobicContact CG-CB 3.93Å; L112-I120 HydrophobicContact CD1-CD1 3.76Å; L112-I121 HydrophobicContact CD2-CD1 4.47Å; L112-L139 HydrophobicContact CD2-CD2 4.34Å; L112-L139 HydrophobicContact CG-CD2 4.18Å; L112-L139 WeakPolarHBondContact O-CD2 3.49Å; L112-I140 HydrophobicContact CD2-CG1 3.72Å
113	D	94	Very high	96.3	Very high	56 Å²	56	50.8 Å²	50.8	30%	0.299	27%	0.269	S	S	.	.			trans	-136.2	177.9	-179.2	71.4	22.2	0	0	0	112.7	H111 M115 N116 A117	H111-D113 PolarHBondContact O-N 3.02Å; D113-M115 PolarHBondContact O-N 2.85Å; D113-M115 WeakPolarHBondContact OD1-CA 3.37Å; D113-M115 VanDerWaalsContact OD1-CB 3.31Å; D113-M115 WeakPolarHBondContact OD1-CB 3.4Å; D113-M115 PolarHBondContact OD1-N 2.8Å; D113-N116 PolarHBondContact N-OD1 3.09Å; D113-N116 PolarHBondContact O-N 2.93Å; D113-N116 PolarHBondContact O-OD1 2.69Å; D113-N116 VanDerWaalsContact OD1-CG 3.28Å; D113-N116 PolarHBondContact OD1-N 2.76Å; D113-N116 PolarHBondContact OD1-ND2 3.41Å; D113-N116 PolarHBondContact OD1-OD1 3.45Å; D113-A117 WeakPolarHBondContact O-CB 3.48Å; D113-A117 PolarHBondContact O-N 2.83Å
114	H	91.6	Very high	96.3	Very high	56 Å²	56	50.5 Å²	50.5	26%	0.259	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-16.8	179.5	68.9	-67.5	0	0	0	114.7	L139 L283	H114-L139 HydrophobicContact CB-CD1 4.21Å; H114-L283 HydrophobicContact CB-CB 3.88Å
115	M	93.3	Very high	96.3	Very high	140 Å²	140	49.4 Å²	49.4	69%	0.69	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-35	-179.7	-59.7	-60.4	-65.1	0	0	112	D113	D113-M115 PolarHBondContact O-N 2.85Å; D113-M115 WeakPolarHBondContact OD1-CA 3.37Å; D113-M115 VanDerWaalsContact OD1-CB 3.31Å; D113-M115 WeakPolarHBondContact OD1-CB 3.4Å; D113-M115 PolarHBondContact OD1-N 2.8Å
116	N	95.6	Very high	96.3	Very high	40 Å²	40	48.3 Å²	48.3	21%	0.214	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-22.1	-174.6	67	30	0	0	0	114.7	H111 L112 D113 V118 G119 I120	H111-N116 PolarHBondContact O-ND2 2.99Å; L112-N116 WeakPolarHBondContact CA-OD1 3.43Å; D113-N116 PolarHBondContact N-OD1 3.09Å; D113-N116 PolarHBondContact O-N 2.93Å; D113-N116 PolarHBondContact O-OD1 2.69Å; D113-N116 VanDerWaalsContact OD1-CG 3.28Å; D113-N116 PolarHBondContact OD1-N 2.76Å; D113-N116 PolarHBondContact OD1-ND2 3.41Å; D113-N116 PolarHBondContact OD1-OD1 3.45Å; N116-V118 PolarHBondContact O-N 3.25Å; N116-G119 PolarHBondContact O-N 3.28Å; N116-G119 VanDerWaalsContact O-N 3.08Å; N116-I120 HydrophobicContact CB-CD1 4.19Å; N116-I120 PolarHBondContact O-N 2.83Å
117	A	96.2	Very high	96.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.6	-44.4	-167.8	0	0	0	0	0	114	L112 D113 G119 I120 I121 L139 A143 L283	L112-A117 HydrophobicContact CD1-CB 3.99Å; L112-A117 HydrophobicContact CD2-CB 4.25Å; L112-A117 HydrophobicContact CG-CB 3.93Å; D113-A117 WeakPolarHBondContact O-CB 3.48Å; D113-A117 PolarHBondContact O-N 2.83Å; A117-G119 VanDerWaalsContact C-N 3.32Å; A117-G119 PolarHBondContact O-N 3.37Å; A117-I120 PolarHBondContact O-N 3.01Å; A117-I121 HydrophobicContact CB-CD1 4.35Å; A117-I121 VanDerWaalsContact O-CB 3.28Å; A117-I121 WeakPolarHBondContact O-CB 3.28Å; A117-I121 WeakPolarHBondContact O-CG1 3.29Å; A117-I121 PolarHBondContact O-N 2.85Å; A117-L139 HydrophobicContact CB-CD1 4.21Å; A117-L139 HydrophobicContact CB-CD2 4.39Å; A117-L139 HydrophobicContact CB-CG 4.26Å; A117-A143 HydrophobicContact CB-CB 3.97Å; A117-L283 HydrophobicContact CB-CD1 3.87Å
118	V	94.9	Very high	96.3	Very high	44 Å²	44	42.8 Å²	42.8	27%	0.267	22%	0.223	S	C	.	.	H	α-helix	trans	-60.4	-43.7	178.1	178.3	0	0	0	0	111	N116 I120 K122 V146 T147 L283	N116-V118 PolarHBondContact O-N 3.25Å; V118-I120 VanDerWaalsContact C-N 3.27Å; V118-I120 PolarHBondContact O-N 3.45Å; V118-K122 WeakPolarHBondContact O-CB 3.32Å; V118-K122 WeakPolarHBondContact O-CG 3.18Å; V118-K122 PolarHBondContact O-N 2.91Å; V118-K122 VanDerWaalsContact O-N 3.16Å; V118-V146 HydrophobicContact CG2-CG2 4.06Å; V118-T147 HydrophobicContact CB-CG2 4.27Å; V118-T147 HydrophobicContact CG1-CG2 3.72Å; V118-L283 HydrophobicContact CG2-CD1 3.57Å; V118-L283 HydrophobicContact CG2-CD2 4.09Å; V118-L283 HydrophobicContact CG2-CG 3.69Å
119	G	95.2	Very high	96.3	Very high	37 Å²	37	40.8 Å²	40.8	38%	0.381	21%	0.213	S	C	.	.	H	α-helix	trans	-61.5	-35.6	-177.6	0	0	0	0	0	113.1	N116 A117 K122	N116-G119 PolarHBondContact O-N 3.28Å; N116-G119 VanDerWaalsContact O-N 3.08Å; A117-G119 VanDerWaalsContact C-N 3.32Å; A117-G119 PolarHBondContact O-N 3.37Å; G119-K122 WeakPolarHBondContact O-CE 3.04Å; G119-K122 WeakPolarHBondContact O-CG 3.33Å
120	I	97.6	Very high	96.4	Very high	16 Å²	16	36.3 Å²	36.3	8%	0.082	19%	0.194	C	C	.	.	H	α-helix	trans	-83.7	-55.5	179.9	-60.8	156.7	0	0	0	110	L37 V63 I110 L112 N116 A117 V118 K122 T123 Y124	L37-I120 HydrophobicContact CD1-CG2 4.04Å; L37-I120 HydrophobicContact CD2-CG2 3.89Å; V63-I120 HydrophobicContact CG2-CG2 4.31Å; I110-I120 HydrophobicContact CD1-CD1 3.21Å; I110-I120 HydrophobicContact CD1-CG1 4.33Å; I110-I120 HydrophobicContact CG1-CD1 4.43Å; L112-I120 HydrophobicContact CD1-CD1 3.76Å; N116-I120 HydrophobicContact CB-CD1 4.19Å; N116-I120 PolarHBondContact O-N 2.83Å; A117-I120 PolarHBondContact O-N 3.01Å; V118-I120 VanDerWaalsContact C-N 3.27Å; V118-I120 PolarHBondContact O-N 3.45Å; I120-K122 VanDerWaalsContact C-N 3.26Å; I120-K122 PolarHBondContact O-N 2.87Å; I120-T123 PolarHBondContact O-N 3.38Å; I120-T123 PolarHBondContact O-OG1 3.2Å; I120-Y124 HydrophobicContact CG2-CE2 4.06Å; I120-Y124 VanDerWaalsContact O-CD2 3.31Å; I120-Y124 WeakPolarHBondContact O-CD2 3.37Å
121	I	97.3	Very high	96.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59	-36.6	-172	-76	167.4	0	0	0	111.8	L37 L112 A117 T123 Y124 V127 A143 T147 K150	L37-I121 HydrophobicContact CD2-CB 4.46Å; L37-I121 HydrophobicContact CD2-CG1 3.53Å; L112-I121 HydrophobicContact CD2-CD1 4.47Å; A117-I121 HydrophobicContact CB-CD1 4.35Å; A117-I121 VanDerWaalsContact O-CB 3.28Å; A117-I121 WeakPolarHBondContact O-CB 3.28Å; A117-I121 WeakPolarHBondContact O-CG1 3.29Å; A117-I121 PolarHBondContact O-N 2.85Å; I121-T123 PolarHBondContact O-N 3.05Å; I121-Y124 PolarHBondContact O-N 3.02Å; I121-Y124 VanDerWaalsContact O-N 3.14Å; I121-V127 HydrophobicContact CG1-CG2 4.33Å; I121-V127 HydrophobicContact CG2-CG2 3.84Å; I121-A143 HydrophobicContact CD1-CB 3.38Å; I121-T147 HydrophobicContact CB-CG2 4.46Å; I121-T147 HydrophobicContact CG2-CG2 4.19Å; I121-T147 WeakPolarHBondContact CG2-OG1 3.48Å; I121-K150 HydrophobicContact CG2-CD 3.78Å; I121-K150 WeakPolarHBondContact O-CE 3.38Å
122	K	94.8	Very high	95.9	Very high	130 Å²	130	34.5 Å²	34.5	57%	0.565	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-24.7	179.2	72.5	-175.5	-177.8	179	0	114	V118 G119 I120 Y124 T147	V118-K122 WeakPolarHBondContact O-CB 3.32Å; V118-K122 WeakPolarHBondContact O-CG 3.18Å; V118-K122 PolarHBondContact O-N 2.91Å; V118-K122 VanDerWaalsContact O-N 3.16Å; G119-K122 WeakPolarHBondContact O-CE 3.04Å; G119-K122 WeakPolarHBondContact O-CG 3.33Å; I120-K122 VanDerWaalsContact C-N 3.26Å; I120-K122 PolarHBondContact O-N 2.87Å; K122-Y124 VanDerWaalsContact C-N 3.32Å; K122-T147 HydrophobicContact CB-CG2 3.99Å
123	T	96.6	Very high	95.5	Very high	61 Å²	61	34.9 Å²	34.9	37%	0.374	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	0.8	-175.3	71	0	0	0	0	114.5	R35 I120 I121	R35-T123 PolarHBondContact NE-O 3.28Å; I120-T123 PolarHBondContact O-N 3.38Å; I120-T123 PolarHBondContact O-OG1 3.2Å; I121-T123 PolarHBondContact O-N 3.05Å
124	Y	98.5	Very high	95.3	Very high	3 Å²	3	33.4 Å²	33.4	1%	0.012	18%	0.181	C	C	.	.			trans	-122.5	157.3	-179	-62.2	-86.3	0	0	0	111.3	R35 V36 L37 T59 G61 H108 I120 I121 K122 K150	R35-Y124 HydrophobicContact CB-CD1 3.99Å; V36-Y124 VanDerWaalsContact C-CD1 3.45Å; V36-Y124 WeakPolarHBondContact O-CD1 3.31Å; L37-Y124 HydrophobicContact CB-CD1 4.05Å; L37-Y124 HydrophobicContact CB-CD2 3.74Å; L37-Y124 HydrophobicContact CB-CE2 4.28Å; L37-Y124 HydrophobicContact CB-CG 3.63Å; L37-Y124 HydrophobicContact CD1-CD2 3.9Å; L37-Y124 HydrophobicContact CD1-CE1 4.4Å; L37-Y124 HydrophobicContact CD1-CE2 3.58Å; L37-Y124 HydrophobicContact CD1-CG 4.45Å; L37-Y124 HydrophobicContact CD2-CD2 4.1Å; L37-Y124 HydrophobicContact CD2-CE2 4.46Å; L37-Y124 HydrophobicContact CG-CD2 4.13Å; L37-Y124 HydrophobicContact CG-CE2 4.32Å; L37-Y124 HydrophobicContact CG-CG 4.5Å; T59-Y124 HydrophobicContact CG2-CE1 4.28Å; G61-Y124 VanDerWaalsContact CA-OH 3.32Å; G61-Y124 WeakPolarHBondContact CA-OH 3.43Å; H108-Y124 AromaticContact NE2-CE2 3.96Å; H108-Y124 AromaticContact NE2-CZ 3.78Å; H108-Y124 PolarHBondContact NE2-OH 3.16Å; I120-Y124 HydrophobicContact CG2-CE2 4.06Å; I120-Y124 VanDerWaalsContact O-CD2 3.31Å; I120-Y124 WeakPolarHBondContact O-CD2 3.37Å; I121-Y124 PolarHBondContact O-N 3.02Å; I121-Y124 VanDerWaalsContact O-N 3.14Å; K122-Y124 VanDerWaalsContact C-N 3.32Å; Y124-K150 WeakPolarHBondContact O-CD 3.42Å; Y124-K150 VanDerWaalsContact O-CE 3.29Å; Y124-K150 WeakPolarHBondContact O-CE 3.28Å; Y124-K150 PolarHBondContact O-NZ 3.21Å
125	D	98.1	Very high	95.3	Very high	45 Å²	45	30.9 Å²	30.9	24%	0.241	17%	0.17	C	C	.	.	S	Bend	trans	-90.6	-39.3	-177.8	-52.8	-50.2	0	0	0	111.7	R35 P151 I172	R35-D125 WeakPolarHBondContact CB-OD2 3.13Å; R35-D125 PolarHBondContact N-OD2 2.99Å; R35-D125 PolarHBondContact O-N 2.94Å; D125-P151 WeakPolarHBondContact O-CD 3.41Å; D125-I172 HydrophobicContact CB-CD1 3.62Å; D125-I172 HydrophobicContact CB-CG1 4.04Å
126	V	98.7	Very high	95.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	138	-177.6	-176.1	0	0	0	0	109.1	R35 V36 L37 P151 V153 I172 V230 I233 L234	R35-V126 PolarHBondContact O-N 3.26Å; V36-V126 WeakPolarHBondContact CA-O 3.32Å; L37-V126 PolarHBondContact N-O 3.34Å; V126-P151 HydrophobicContact CG1-CB 4.31Å; V126-P151 HydrophobicContact CG2-CG 4.46Å; V126-V153 HydrophobicContact CG1-CG2 3.98Å; V126-I172 HydrophobicContact CG2-CD1 4.3Å; V126-I172 HydrophobicContact CG2-CG1 4.24Å; V126-V230 HydrophobicContact CG1-CG1 4.46Å; V126-V230 HydrophobicContact CG1-CG2 4.02Å; V126-I233 HydrophobicContact CG1-CD1 4.2Å; V126-I233 HydrophobicContact CG2-CB 4.34Å; V126-I233 HydrophobicContact CG2-CG2 3.48Å; V126-I233 VanDerWaalsContact CG2-CG2 3.48Å; V126-L234 HydrophobicContact CG2-CD2 3.94Å; V126-L234 HydrophobicContact CG2-CG 4.43Å
127	V	98.8	Very high	95.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	134.9	176.3	-175	0	0	0	0	109.9	L37 V39 I121 I140 C144 K150 P151 L152 V153	L37-V127 HydrophobicContact CB-CG1 4.47Å; L37-V127 HydrophobicContact CB-CG2 4.34Å; L37-V127 HydrophobicContact CD2-CG1 4.42Å; L37-V127 CarbonylContact O-C 3.51Å; L37-V127 WeakPolarHBondContact O-CA 3.5Å; V39-V127 HydrophobicContact CG2-CG1 4.27Å; I121-V127 HydrophobicContact CG1-CG2 4.33Å; I121-V127 HydrophobicContact CG2-CG2 3.84Å; V127-I140 HydrophobicContact CG1-CG2 3.72Å; V127-C144 VanDerWaalsContact CG2-SG 3.55Å; V127-K150 HydrophobicContact CG2-CD 4.46Å; V127-P151 PolarHBondContact N-O 2.79Å; V127-P151 VanDerWaalsContact N-O 3.07Å; V127-L152 HydrophobicContact CB-CD1 4.19Å; V127-L152 HydrophobicContact CG1-CD1 4.11Å; V127-L152 WeakPolarHBondContact O-CA 3.4Å; V127-V153 PolarHBondContact O-N 3.3Å
128	V	98.9	Very high	95.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	111.1	177.4	-165.2	0	0	0	0	108.1	V36 L37 I38 V39 C130 V153 Q226 V230	V36-V128 HydrophobicContact CG1-CG2 3.63Å; L37-V128 PolarHBondContact O-N 2.9Å; I38-V128 HydrophobicContact CG1-CB 4.18Å; I38-V128 HydrophobicContact CG1-CG2 4.21Å; V39-V128 PolarHBondContact N-O 3.23Å; V128-C130 VanDerWaalsContact CG1-SG 3.59Å; V128-C130 PolarHBondContact O-N 3.43Å; V128-V153 WeakPolarHBondContact CA-O 3.19Å; V128-V153 HydrophobicContact CG1-CB 4.42Å; V128-Q226 HydrophobicContact CG1-CB 3.89Å; V128-Q226 HydrophobicContact CG1-CG 4.31Å; V128-V230 HydrophobicContact CG2-CG2 3.46Å; V128-V230 VanDerWaalsContact CG2-CG2 3.46Å
129	D	98.7	Very high	95.4	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	102	175.2	162.4	35.8	0	0	0	109.2	S131 R137 I140 L152 V153 S154 G155 Q226	D129-S131 VanDerWaalsContact OD1-CB 3.31Å; D129-S131 WeakPolarHBondContact OD1-CB 3.4Å; D129-S131 PolarHBondContact OD1-N 2.76Å; D129-S131 VanDerWaalsContact OD1-N 3.08Å; D129-S131 PolarHBondContact OD1-OG 3.41Å; D129-R137 IonicContact OD2-NH1 3.62Å; D129-R137 PolarHBondContact OD2-NH1 3.28Å; D129-I140 HydrophobicContact CB-CD1 4.01Å; D129-I140 HydrophobicContact CB-CG2 4.45Å; D129-L152 HydrophobicContact CB-CD1 3.82Å; D129-V153 PolarHBondContact N-O 3.08Å; D129-S154 PolarHBondContact OD2-OG 3.1Å; D129-G155 PolarHBondContact O-N 3.1Å; D129-G155 VanDerWaalsContact O-N 3.13Å; D129-Q226 PolarHBondContact O-NE2 3.5Å
130	C	98.2	Very high	95.5	Very high	8 Å²	8	20.6 Å²	20.6	5%	0.054	11%	0.106	C	C	.	.			trans	-109.5	20.2	173.6	-62.2	0	0	0	0	111.2	I38 V39 G40 L44 V128 Q226	I38-C130 HydrophobicContact CG2-CB 4.32Å; V39-C130 CarbonylContact O-C 3.55Å; V39-C130 VanDerWaalsContact O-CA 3.24Å; V39-C130 WeakPolarHBondContact O-CA 3.39Å; V39-C130 VanDerWaalsContact O-CB 3.28Å; V39-C130 WeakPolarHBondContact O-CB 3.23Å; V39-C130 PolarHBondContact O-N 3.04Å; G40-C130 WeakPolarHBondContact O-CB 3.41Å; L44-C130 HydrophobicContact CB-CB 3.82Å; V128-C130 VanDerWaalsContact CG1-SG 3.59Å; V128-C130 PolarHBondContact O-N 3.43Å; C130-Q226 PolarHBondContact SG-OE1 2.99Å
131	S	94.5	Very high	95.5	Very high	7 Å²	7	19.9 Å²	19.9	5%	0.049	10%	0.102	C	C	.	.			trans	-72.8	156.9	-176.4	69.7	0	0	0	0	112.3	V39 D129 T136 R137	V39-S131 PolarHBondContact O-N 3.41Å; D129-S131 VanDerWaalsContact OD1-CB 3.31Å; D129-S131 WeakPolarHBondContact OD1-CB 3.4Å; D129-S131 PolarHBondContact OD1-N 2.76Å; D129-S131 VanDerWaalsContact OD1-N 3.08Å; D129-S131 PolarHBondContact OD1-OG 3.41Å; S131-T136 VanDerWaalsContact CB-CG2 3.44Å; S131-R137 PolarHBondContact O-NH2 3.47Å; S131-R137 WeakPolarHBondContact OG-CG 3.49Å
132	D	87.3	Confident	95.3	Very high	73 Å²	73	20.8 Å²	20.8	39%	0.39	11%	0.106	S	C	.	.	S	Bend	trans	-101.9	-3.3	-175.6	62.9	-0.7	0	0	0	113.9	D296	D132-D296 HydrophobicContact CB-CB 3.9Å; D132-D296 VanDerWaalsContact CG-CB 3.46Å; D132-D296 WeakPolarHBondContact OD2-CB 3.41Å
133	N	87.3	Confident	95.3	Very high	16 Å²	16	14.6 Å²	14.6	9%	0.086	8%	0.079	C	C	.	.	S	Bend	trans	-134.3	155	-172.6	74.1	85	0	0	0	113.3	A135 T136 R137 S294	N133-A135 PolarHBondContact OD1-N 3.02Å; N133-T136 PolarHBondContact ND2-OG1 3.46Å; N133-T136 WeakPolarHBondContact OD1-CB 3.34Å; N133-T136 PolarHBondContact OD1-N 3.4Å; N133-T136 PolarHBondContact OD1-OG1 3.12Å; N133-T136 VanDerWaalsContact OD1-OG1 3.06Å; N133-R137 WeakPolarHBondContact O-CG 3.34Å; N133-R137 PolarHBondContact O-N 2.96Å; N133-S294 PolarHBondContact ND2-O 2.73Å; N133-S294 PolarHBondContact OD1-O 2.97Å
134	L	90.3	Very high	95.3	Very high	25 Å²	25	11.7 Å²	11.7	13%	0.131	6%	0.061	C	C	.	.	H	α-helix	trans	-67.2	-38.6	-173.7	-176.8	64	0	0	0	113.2	R137 Y138 F193 P200 P201 V206	L134-R137 WeakPolarHBondContact O-CB 3.41Å; L134-R137 PolarHBondContact O-N 2.67Å; L134-Y138 HydrophobicContact CD1-CD2 4.01Å; L134-Y138 HydrophobicContact CD1-CE2 3.61Å; L134-Y138 HydrophobicContact CD2-CE2 4.24Å; L134-Y138 HydrophobicContact CG-CD2 3.98Å; L134-Y138 HydrophobicContact CG-CE2 3.77Å; L134-Y138 WeakPolarHBondContact O-CD2 3.31Å; L134-Y138 PolarHBondContact O-N 3.02Å; L134-F193 HydrophobicContact CD1-CE1 4.11Å; L134-F193 HydrophobicContact CD1-CZ 4.01Å; L134-P200 HydrophobicContact CD2-CB 4.2Å; L134-P201 HydrophobicContact CD2-CG 3.8Å; L134-V206 HydrophobicContact CB-CG1 4.49Å; L134-V206 HydrophobicContact CD2-CG2 3.96Å
135	A	91.2	Very high	95	Very high	3 Å²	3	11.6 Å²	11.6	3%	0.025	6%	0.061	C	C	.	.	H	α-helix	trans	-63.5	-45.8	-177.3	0	0	0	0	0	111.3	N133 R137 Y138 L139 Y286 V287	N133-A135 PolarHBondContact OD1-N 3.02Å; A135-R137 VanDerWaalsContact C-N 3.33Å; A135-R137 PolarHBondContact O-N 2.79Å; A135-Y138 PolarHBondContact O-N 2.79Å; A135-L139 WeakPolarHBondContact O-CB 3.45Å; A135-L139 PolarHBondContact O-N 3.4Å; A135-Y286 WeakPolarHBondContact O-CB 3.36Å; A135-V287 HydrophobicContact CB-CG2 4.41Å
136	T	94.4	Very high	94.7	Very high	10 Å²	10	10.3 Å²	10.3	6%	0.061	6%	0.055	C	C	.	.	H	α-helix	trans	-62.1	-38.2	176.4	-59	0	0	0	0	111.9	V39 S131 N133 Y138 L139 I140	V39-T136 HydrophobicContact CG1-CG2 4.2Å; S131-T136 VanDerWaalsContact CB-CG2 3.44Å; N133-T136 PolarHBondContact ND2-OG1 3.46Å; N133-T136 WeakPolarHBondContact OD1-CB 3.34Å; N133-T136 PolarHBondContact OD1-N 3.4Å; N133-T136 PolarHBondContact OD1-OG1 3.12Å; N133-T136 VanDerWaalsContact OD1-OG1 3.06Å; T136-Y138 PolarHBondContact O-N 2.83Å; T136-L139 PolarHBondContact O-N 3.49Å; T136-I140 HydrophobicContact CG2-CD1 3.6Å; T136-I140 HydrophobicContact CG2-CG1 4.05Å; T136-I140 VanDerWaalsContact O-CG1 3.27Å; T136-I140 WeakPolarHBondContact O-CG1 3.48Å; T136-I140 PolarHBondContact O-N 3.33Å
137	R	95.6	Very high	94.2	Very high	28 Å²	28	11.4 Å²	11.4	11%	0.106	6%	0.061	C	C	.	.	H	α-helix	trans	-59.8	-45.6	175.9	-68.5	173.2	-178.9	-77.8	-7.2	112.7	D129 S131 N133 L134 A135 N141 G155 F193	D129-R137 IonicContact OD2-NH1 3.62Å; D129-R137 PolarHBondContact OD2-NH1 3.28Å; S131-R137 PolarHBondContact O-NH2 3.47Å; S131-R137 WeakPolarHBondContact OG-CG 3.49Å; N133-R137 WeakPolarHBondContact O-CG 3.34Å; N133-R137 PolarHBondContact O-N 2.96Å; L134-R137 WeakPolarHBondContact O-CB 3.41Å; L134-R137 PolarHBondContact O-N 2.67Å; A135-R137 VanDerWaalsContact C-N 3.33Å; A135-R137 PolarHBondContact O-N 2.79Å; R137-N141 VanDerWaalsContact O-CB 3.25Å; R137-N141 WeakPolarHBondContact O-CB 3.32Å; R137-N141 PolarHBondContact O-N 2.83Å; R137-N141 VanDerWaalsContact O-N 3.12Å; R137-G155 VanDerWaalsContact CZ-O 3.31Å; R137-G155 PolarHBondContact NH1-O 3.39Å; R137-G155 PolarHBondContact NH2-O 2.75Å; R137-F193 HydrophobicContact CB-CE1 4.23Å; R137-F193 HydrophobicContact CB-CZ 4.22Å
138	Y	95.4	Very high	93.7	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-65.9	-42	175.6	-82.6	-73.4	0	0	0	112.3	L134 A135 T136 N141 E142 F193 Y197 P200 Y286	L134-Y138 HydrophobicContact CD1-CD2 4.01Å; L134-Y138 HydrophobicContact CD1-CE2 3.61Å; L134-Y138 HydrophobicContact CD2-CE2 4.24Å; L134-Y138 HydrophobicContact CG-CD2 3.98Å; L134-Y138 HydrophobicContact CG-CE2 3.77Å; L134-Y138 WeakPolarHBondContact O-CD2 3.31Å; L134-Y138 PolarHBondContact O-N 3.02Å; A135-Y138 PolarHBondContact O-N 2.79Å; T136-Y138 PolarHBondContact O-N 2.83Å; Y138-N141 WeakPolarHBondContact O-CB 3.35Å; Y138-N141 PolarHBondContact O-N 3.5Å; Y138-E142 PolarHBondContact O-N 3.09Å; Y138-F193 AromaticContact CD1-CD1 3.72Å; Y138-F193 HydrophobicContact CD1-CD1 3.72Å; Y138-F193 AromaticContact CD1-CE1 3.99Å; Y138-F193 HydrophobicContact CD1-CE1 3.99Å; Y138-F193 HydrophobicContact CD2-CD1 4.4Å; Y138-F193 AromaticContact CD2-CE1 3.89Å; Y138-F193 HydrophobicContact CD2-CE1 3.89Å; Y138-F193 AromaticContact CE1-CD1 3.69Å; Y138-F193 HydrophobicContact CE1-CD1 3.69Å; Y138-F193 AromaticContact CE1-CE1 3.76Å; Y138-F193 HydrophobicContact CE1-CE1 3.76Å; Y138-F193 HydrophobicContact CE2-CD1 4.42Å; Y138-F193 AromaticContact CE2-CE1 3.71Å; Y138-F193 HydrophobicContact CE2-CE1 3.71Å; Y138-F193 HydrophobicContact CG-CD1 4.08Å; Y138-F193 HydrophobicContact CG-CE1 4.03Å; Y138-F193 AromaticContact CZ-CE1 3.64Å; Y138-Y197 WeakPolarHBondContact CE1-O 3.33Å; Y138-Y197 VanDerWaalsContact OH-CB 3.29Å; Y138-Y197 WeakPolarHBondContact OH-CB 3.31Å; Y138-Y197 PolarHBondContact OH-O 2.58Å; Y138-P200 HydrophobicContact CE2-CB 4.07Å; Y138-P200 HydrophobicContact CE2-CG 3.85Å; Y138-Y286 AromaticContact CD1-CE1 4Å; Y138-Y286 HydrophobicContact CD1-CE1 4Å; Y138-Y286 HydrophobicContact CD2-CD1 4.44Å; Y138-Y286 AromaticContact CG-CD1 3.88Å; Y138-Y286 HydrophobicContact CG-CD1 3.88Å; Y138-Y286 AromaticContact CG-CE1 3.82Å; Y138-Y286 HydrophobicContact CG-CE1 3.82Å
139	L	95.7	Very high	93.3	Very high	7 Å²	7	12.6 Å²	12.6	4%	0.037	7%	0.072	C	C	.	.	H	α-helix	trans	-59.9	-53	178.4	174.6	68.6	0	0	0	111.8	L112 H114 A117 A135 T136 N141 E142 A143 L283 Y286	L112-L139 HydrophobicContact CD2-CD2 4.34Å; L112-L139 HydrophobicContact CG-CD2 4.18Å; L112-L139 WeakPolarHBondContact O-CD2 3.49Å; H114-L139 HydrophobicContact CB-CD1 4.21Å; A117-L139 HydrophobicContact CB-CD1 4.21Å; A117-L139 HydrophobicContact CB-CD2 4.39Å; A117-L139 HydrophobicContact CB-CG 4.26Å; A135-L139 WeakPolarHBondContact O-CB 3.45Å; A135-L139 PolarHBondContact O-N 3.4Å; T136-L139 PolarHBondContact O-N 3.49Å; L139-N141 VanDerWaalsContact C-N 3.26Å; L139-N141 PolarHBondContact O-N 2.91Å; L139-E142 PolarHBondContact O-N 3.15Å; L139-A143 WeakPolarHBondContact O-CB 3.37Å; L139-A143 PolarHBondContact O-N 2.96Å; L139-L283 HydrophobicContact CD1-CB 4.39Å; L139-L283 HydrophobicContact CD1-CD1 3.78Å; L139-Y286 VanDerWaalsContact CA-CD2 3.45Å; L139-Y286 HydrophobicContact CB-CD2 3.87Å; L139-Y286 HydrophobicContact CD1-CD2 4.33Å
140	I	97.3	Very high	93.1	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59.3	-42.4	178.8	-64.3	164.8	0	0	0	109.8	V39 L112 V127 D129 T136 E142 A143 C144 L152	V39-I140 HydrophobicContact CB-CD1 3.67Å; V39-I140 HydrophobicContact CB-CG1 4.46Å; V39-I140 HydrophobicContact CG1-CD1 3.67Å; V39-I140 HydrophobicContact CG1-CG1 4.33Å; V39-I140 HydrophobicContact CG2-CD1 3.99Å; V39-I140 HydrophobicContact CG2-CG1 4.3Å; L112-I140 HydrophobicContact CD2-CG1 3.72Å; V127-I140 HydrophobicContact CG1-CG2 3.72Å; D129-I140 HydrophobicContact CB-CD1 4.01Å; D129-I140 HydrophobicContact CB-CG2 4.45Å; T136-I140 HydrophobicContact CG2-CD1 3.6Å; T136-I140 HydrophobicContact CG2-CG1 4.05Å; T136-I140 VanDerWaalsContact O-CG1 3.27Å; T136-I140 WeakPolarHBondContact O-CG1 3.48Å; T136-I140 PolarHBondContact O-N 3.33Å; I140-E142 PolarHBondContact O-N 3.16Å; I140-A143 PolarHBondContact O-N 3.2Å; I140-C144 WeakPolarHBondContact O-CB 3.37Å; I140-C144 PolarHBondContact O-N 3.19Å; I140-C144 PolarHBondContact O-SG 3.32Å; I140-L152 HydrophobicContact CG2-CD1 3.53Å; I140-L152 HydrophobicContact CG2-CD2 4.19Å
141	N	96.9	Very high	93	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-59.9	-45.7	177.7	172.8	84.5	0	0	0	112.8	R137 Y138 L139 A145 L152 C192 F193	R137-N141 VanDerWaalsContact O-CB 3.25Å; R137-N141 WeakPolarHBondContact O-CB 3.32Å; R137-N141 PolarHBondContact O-N 2.83Å; R137-N141 VanDerWaalsContact O-N 3.12Å; Y138-N141 WeakPolarHBondContact O-CB 3.35Å; Y138-N141 PolarHBondContact O-N 3.5Å; L139-N141 VanDerWaalsContact C-N 3.26Å; L139-N141 PolarHBondContact O-N 2.91Å; N141-A145 PolarHBondContact O-N 3.33Å; N141-L152 HydrophobicContact CB-CD2 3.99Å; N141-C192 VanDerWaalsContact OD1-CB 3.25Å; N141-C192 WeakPolarHBondContact OD1-CB 3.43Å; N141-F193 HydrophobicContact CB-CB 3.81Å; N141-F193 WeakPolarHBondContact OD1-CB 3.5Å; N141-F193 PolarHBondContact OD1-N 2.91Å
142	E	94.7	Very high	93.2	Very high	20 Å²	20	13.3 Å²	13.3	9%	0.093	7%	0.073	C	C	.	.	H	α-helix	trans	-66.6	-46.4	176.3	-167.6	177.8	144.1	0	0	111.2	Y138 L139 I140 C144 A145 V146 V269 L283 T284 Y286	Y138-E142 PolarHBondContact O-N 3.09Å; L139-E142 PolarHBondContact O-N 3.15Å; I140-E142 PolarHBondContact O-N 3.16Å; E142-C144 VanDerWaalsContact C-N 3.35Å; E142-C144 PolarHBondContact O-N 2.95Å; E142-A145 WeakPolarHBondContact O-CB 3.24Å; E142-A145 PolarHBondContact O-N 3.31Å; E142-V146 HydrophobicContact CG-CG1 4.39Å; E142-V146 WeakPolarHBondContact O-CG1 3.43Å; E142-V146 PolarHBondContact O-N 3.36Å; E142-V269 HydrophobicContact CB-CG1 4.27Å; E142-V269 HydrophobicContact CB-CG2 4.35Å; E142-V269 HydrophobicContact CG-CG1 4.24Å; E142-V269 HydrophobicContact CG-CG2 4.17Å; E142-L283 HydrophobicContact CB-CD2 4.25Å; E142-L283 HydrophobicContact CG-CD2 3.71Å; E142-T284 PolarHBondContact OE1-N 3.42Å; E142-T284 PolarHBondContact OE1-OG1 2.9Å; E142-T284 WeakPolarHBondContact OE2-CB 3.5Å; E142-T284 PolarHBondContact OE2-OG1 3.16Å; E142-Y286 HydrophobicContact CB-CE2 4Å; E142-Y286 WeakPolarHBondContact OE2-CE2 3.34Å; E142-Y286 PolarHBondContact OE2-OH 2.95Å
143	A	94.9	Very high	93.8	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-59.7	-41.6	179.3	0	0	0	0	0	112.9	A117 I121 L139 I140 A145 V146 T147 L283	A117-A143 HydrophobicContact CB-CB 3.97Å; I121-A143 HydrophobicContact CD1-CB 3.38Å; L139-A143 WeakPolarHBondContact O-CB 3.37Å; L139-A143 PolarHBondContact O-N 2.96Å; I140-A143 PolarHBondContact O-N 3.2Å; A143-A145 VanDerWaalsContact C-N 3.31Å; A143-A145 PolarHBondContact O-N 2.92Å; A143-V146 PolarHBondContact O-N 3.1Å; A143-T147 WeakPolarHBondContact O-CB 3.46Å; A143-T147 VanDerWaalsContact O-CG2 3.29Å; A143-T147 WeakPolarHBondContact O-CG2 3.41Å; A143-T147 PolarHBondContact O-N 2.99Å; A143-T147 VanDerWaalsContact O-N 3.12Å; A143-T147 PolarHBondContact O-OG1 2.98Å; A143-L283 HydrophobicContact CB-CD1 3.83Å
144	C	95.4	Very high	94.3	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-66.8	-32.8	174.9	-67.9	0	0	0	0	112.3	V127 I140 E142 P149 K150 L152 L168	V127-C144 VanDerWaalsContact CG2-SG 3.55Å; I140-C144 WeakPolarHBondContact O-CB 3.37Å; I140-C144 PolarHBondContact O-N 3.19Å; I140-C144 PolarHBondContact O-SG 3.32Å; E142-C144 VanDerWaalsContact C-N 3.35Å; E142-C144 PolarHBondContact O-N 2.95Å; C144-P149 WeakPolarHBondContact O-CA 3.47Å; C144-K150 HydrophobicContact CB-CB 4.35Å; C144-K150 PolarHBondContact O-N 3.04Å; C144-L152 HydrophobicContact CB-CB 4.39Å; C144-L168 HydrophobicContact CB-CD1 3.44Å; C144-L168 VanDerWaalsContact CB-CD1 3.44Å
145	A	93.3	Very high	94.7	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-66.8	-51.4	174.2	0	0	0	0	0	110	N141 E142 A143 T147 P149 L168 V269 M275	N141-A145 PolarHBondContact O-N 3.33Å; E142-A145 WeakPolarHBondContact O-CB 3.24Å; E142-A145 PolarHBondContact O-N 3.31Å; A143-A145 VanDerWaalsContact C-N 3.31Å; A143-A145 PolarHBondContact O-N 2.92Å; A145-T147 PolarHBondContact O-N 2.93Å; A145-P149 WeakPolarHBondContact O-CD 3.49Å; A145-L168 HydrophobicContact CB-CD1 4.34Å; A145-L168 HydrophobicContact CB-CD2 3.91Å; A145-V269 HydrophobicContact CB-CG1 3.46Å; A145-V269 VanDerWaalsContact CB-CG1 3.46Å; A145-M275 VanDerWaalsContact C-CE 3.43Å; A145-M275 HydrophobicContact CB-SD 4.38Å; A145-M275 WeakPolarHBondContact O-CE 3.36Å
146	V	90.5	Very high	94.9	Very high	18 Å²	18	9 Å²	9	11%	0.109	5%	0.052	C	C	.	.	H	α-helix	trans	-77.1	-16.2	-170.9	-54	0	0	0	0	116.3	V118 E142 A143 G148 M275 L283	V118-V146 HydrophobicContact CG2-CG2 4.06Å; E142-V146 HydrophobicContact CG-CG1 4.39Å; E142-V146 WeakPolarHBondContact O-CG1 3.43Å; E142-V146 PolarHBondContact O-N 3.36Å; A143-V146 PolarHBondContact O-N 3.1Å; V146-G148 PolarHBondContact O-N 2.84Å; V146-M275 VanDerWaalsContact CA-CE 3.44Å; V146-M275 HydrophobicContact CB-CE 4.33Å; V146-M275 HydrophobicContact CG1-CE 4.3Å; V146-L283 HydrophobicContact CG2-CD2 3.72Å
147	T	89.7	Confident	95	Very high	23 Å²	23	9 Å²	9	14%	0.141	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	27.4	-179.8	48.8	0	0	0	0	113.6	V118 I121 K122 A143 A145 K150	V118-T147 HydrophobicContact CB-CG2 4.27Å; V118-T147 HydrophobicContact CG1-CG2 3.72Å; I121-T147 HydrophobicContact CB-CG2 4.46Å; I121-T147 HydrophobicContact CG2-CG2 4.19Å; I121-T147 WeakPolarHBondContact CG2-OG1 3.48Å; K122-T147 HydrophobicContact CB-CG2 3.99Å; A143-T147 WeakPolarHBondContact O-CB 3.46Å; A143-T147 VanDerWaalsContact O-CG2 3.29Å; A143-T147 WeakPolarHBondContact O-CG2 3.41Å; A143-T147 PolarHBondContact O-N 2.99Å; A143-T147 VanDerWaalsContact O-N 3.12Å; A143-T147 PolarHBondContact O-OG1 2.98Å; A145-T147 PolarHBondContact O-N 2.93Å; T147-K150 WeakPolarHBondContact OG1-CE 3.24Å
148	G	86.9	Confident	94.9	Very high	14 Å²	14	10.7 Å²	10.7	14%	0.144	6%	0.064	C	C	.	.	S	Bend	trans	73.8	116.2	-157.9	0	0	0	0	0	108.5	V146 K150	V146-G148 PolarHBondContact O-N 2.84Å; G148-K150 WeakPolarHBondContact O-CG 3.33Å; G148-K150 PolarHBondContact O-N 2.76Å
149	P	90.2	Very high	94.8	Very high	11 Å²	11	17.1 Å²	17.1	7%	0.071	9%	0.088	C	C	.	.			trans	-45.1	106.8	-170.2	-34.4	37	0	0	0	114	C144 A145 T169 L173 P184 M275	C144-P149 WeakPolarHBondContact O-CA 3.47Å; A145-P149 WeakPolarHBondContact O-CD 3.49Å; P149-T169 VanDerWaalsContact O-CG2 3.31Å; P149-T169 WeakPolarHBondContact O-CG2 3.33Å; P149-L173 HydrophobicContact CB-CD1 4.16Å; P149-P184 HydrophobicContact CB-CG 3.68Å; P149-P184 HydrophobicContact CG-CG 4.16Å; P149-M275 HydrophobicContact CG-SD 3.65Å
150	K	94.6	Very high	94.9	Very high	28 Å²	28	19.7 Å²	19.7	12%	0.122	10%	0.102	C	C	.	.			trans	-94.7	144	179.8	-56.1	-169.6	-178.7	-79.6	0	110.8	I121 Y124 V127 C144 T147 G148 L152 L168	I121-K150 HydrophobicContact CG2-CD 3.78Å; I121-K150 WeakPolarHBondContact O-CE 3.38Å; Y124-K150 WeakPolarHBondContact O-CD 3.42Å; Y124-K150 VanDerWaalsContact O-CE 3.29Å; Y124-K150 WeakPolarHBondContact O-CE 3.28Å; Y124-K150 PolarHBondContact O-NZ 3.21Å; V127-K150 HydrophobicContact CG2-CD 4.46Å; C144-K150 HydrophobicContact CB-CB 4.35Å; C144-K150 PolarHBondContact O-N 3.04Å; T147-K150 WeakPolarHBondContact OG1-CE 3.24Å; G148-K150 WeakPolarHBondContact O-CG 3.33Å; G148-K150 PolarHBondContact O-N 2.76Å; K150-L152 PolarHBondContact O-N 3.35Å; K150-L168 WeakPolarHBondContact O-CD1 3.27Å
151	P	97.8	Very high	94.9	Very high	1 Å²	1	25 Å²	25	1%	0.006	13%	0.127	C	C	.	.			trans	-56.3	123.2	167.3	-20.4	30	0	0	0	110.4	D125 V126 V127 V166 T169 R171 I172 I233	D125-P151 WeakPolarHBondContact O-CD 3.41Å; V126-P151 HydrophobicContact CG1-CB 4.31Å; V126-P151 HydrophobicContact CG2-CG 4.46Å; V127-P151 PolarHBondContact N-O 2.79Å; V127-P151 VanDerWaalsContact N-O 3.07Å; P151-V166 HydrophobicContact CB-CG1 4.42Å; P151-T169 WeakPolarHBondContact CA-O 3.49Å; P151-T169 HydrophobicContact CB-CG2 4.42Å; P151-T169 WeakPolarHBondContact CB-O 3.13Å; P151-T169 HydrophobicContact CG-CG2 3.85Å; P151-R171 WeakPolarHBondContact CG-O 3.36Å; P151-I172 HydrophobicContact CG-CG1 4.49Å; P151-I233 HydrophobicContact CB-CD1 3.9Å; P151-I233 HydrophobicContact CB-CG1 4.49Å; P151-I233 HydrophobicContact CB-CG2 3.94Å; P151-I233 HydrophobicContact CG-CG2 3.73Å
152	L	98.6	Very high	94.9	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.01	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	105.1	178.1	172.1	58.1	0	0	0	109.8	V127 D129 I140 N141 C144 K150 S154 V166 Y167 L168	V127-L152 HydrophobicContact CB-CD1 4.19Å; V127-L152 HydrophobicContact CG1-CD1 4.11Å; V127-L152 WeakPolarHBondContact O-CA 3.4Å; D129-L152 HydrophobicContact CB-CD1 3.82Å; I140-L152 HydrophobicContact CG2-CD1 3.53Å; I140-L152 HydrophobicContact CG2-CD2 4.19Å; N141-L152 HydrophobicContact CB-CD2 3.99Å; C144-L152 HydrophobicContact CB-CB 4.39Å; K150-L152 PolarHBondContact O-N 3.35Å; L152-S154 PolarHBondContact O-N 3.41Å; L152-V166 CarbonylContact O-C 3.57Å; L152-V166 WeakPolarHBondContact O-CA 3.24Å; L152-Y167 HydrophobicContact CD2-CD2 4.27Å; L152-Y167 HydrophobicContact CG-CD2 4.39Å; L152-Y167 PolarHBondContact N-O 2.64Å; L152-Y167 PolarHBondContact O-N 2.71Å; L152-L168 HydrophobicContact CB-CD1 4.32Å
153	V	98.8	Very high	95.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	94.8	177.2	-171.9	0	0	0	0	108.7	V126 V127 V128 D129 V166 Q226 E229 V230 I233	V126-V153 HydrophobicContact CG1-CG2 3.98Å; V127-V153 PolarHBondContact O-N 3.3Å; V128-V153 WeakPolarHBondContact CA-O 3.19Å; V128-V153 HydrophobicContact CG1-CB 4.42Å; D129-V153 PolarHBondContact N-O 3.08Å; V153-V166 HydrophobicContact CG1-CG2 4.37Å; V153-V166 HydrophobicContact CG2-CG2 4.06Å; V153-Q226 HydrophobicContact CG1-CB 3.83Å; V153-Q226 HydrophobicContact CG1-CG 3.88Å; V153-Q226 PolarHBondContact O-NE2 3.11Å; V153-Q226 VanDerWaalsContact O-NE2 3.09Å; V153-E229 HydrophobicContact CG1-CB 3.82Å; V153-E229 HydrophobicContact CG1-CG 4.34Å; V153-E229 HydrophobicContact CG2-CB 4.25Å; V153-V230 HydrophobicContact CB-CG2 4.43Å; V153-V230 HydrophobicContact CG2-CG2 3.91Å; V153-I233 HydrophobicContact CG2-CD1 3.52Å
154	S	98.6	Very high	95.2	Very high	6 Å²	6	27 Å²	27	4%	0.042	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	133	-175.4	-177.7	0	0	0	0	111.3	D129 L152 M164 T165	D129-S154 PolarHBondContact OD2-OG 3.1Å; L152-S154 PolarHBondContact O-N 3.41Å; S154-M164 VanDerWaalsContact O-CA 3.31Å; S154-M164 WeakPolarHBondContact O-CA 3.36Å; S154-T165 PolarHBondContact N-O 3.36Å; S154-T165 PolarHBondContact O-N 2.91Å
155	G	98.1	Very high	95.4	Very high	1 Å²	1	27 Å²	27	1%	0.01	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	151.7	176.8	0	0	0	0	0	111.4	L44 D129 R137 Q163	L44-G155 VanDerWaalsContact CD2-C 3.41Å; D129-G155 PolarHBondContact O-N 3.1Å; D129-G155 VanDerWaalsContact O-N 3.13Å; R137-G155 VanDerWaalsContact CZ-O 3.31Å; R137-G155 PolarHBondContact NH1-O 3.39Å; R137-G155 PolarHBondContact NH2-O 2.75Å; G155-Q163 WeakPolarHBondContact CA-O 3.46Å
156	S	96.3	Very high	95.6	Very high	20 Å²	20	27 Å²	27	14%	0.14	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	154.2	168.2	73.1	0	0	0	0	111	G162 Q163	S156-G162 CarbonylContact O-C 3.6Å; S156-G162 VanDerWaalsContact O-CA 3.3Å; S156-G162 WeakPolarHBondContact O-CA 3.46Å; S156-Q163 PolarHBondContact N-O 3.42Å; S156-Q163 PolarHBondContact O-N 3.3Å; S156-Q163 WeakPolarHBondContact OG-CG 3.31Å; S156-Q163 PolarHBondContact OG-NE2 2.85Å
157	A	95.7	Very high	96	Very high	11 Å²	11	26.5 Å²	26.5	9%	0.091	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	138.6	173.8	0	0	0	0	0	109.2	L44 E161 C209 V214 V218 P219	L44-A157 HydrophobicContact CD1-CB 4.32Å; A157-E161 CarbonylContact C-O 3.59Å; A157-E161 WeakPolarHBondContact CA-O 3.44Å; A157-C209 PolarHBondContact O-SG 2.84Å; A157-V214 HydrophobicContact CB-CG2 4.16Å; A157-V218 HydrophobicContact CB-CB 4.44Å; A157-V218 HydrophobicContact CB-CG1 3.82Å; A157-P219 HydrophobicContact CB-CB 4.49Å; A157-P219 HydrophobicContact CB-CG 3.8Å
158	L	92.9	Very high	96.3	Very high	63 Å²	63	25.6 Å²	25.6	33%	0.33	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	130.2	177.5	-169	70.8	0	0	0	108.2	L160 E161 A212	L158-L160 PolarHBondContact O-N 3.13Å; L158-L160 VanDerWaalsContact O-N 3.16Å; L158-E161 PolarHBondContact N-O 2.9Å; L158-E161 PolarHBondContact O-N 2.92Å; L158-E161 VanDerWaalsContact O-O 3.14Å; L158-A212 HydrophobicContact CD1-CB 3.56Å; L158-A212 HydrophobicContact CG-CB 4.09Å
159	R	94.2	Very high	96.7	Very high	135 Å²	135	25 Å²	25	51%	0.509	12%	0.121	S	C	.	.	B	Isolated β-bridge	trans	53.6	-118.8	-176.1	-58.5	175.6	-176	176.3	5.1	111.2	Q207 A212 G213 F215	R159-Q207 VanDerWaalsContact NH2-OE1 3.08Å; R159-A212 HydrophobicContact CG-CB 4.14Å; R159-G213 WeakPolarHBondContact CA-O 3.38Å; R159-G213 PolarHBondContact N-O 3.17Å; R159-F215 PolarHBondContact O-N 3.23Å
160	L	97.4	Very high	96.9	Very high	61 Å²	61	28.2 Å²	28.2	32%	0.319	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	11.4	178.9	-60.8	100.9	0	0	0	112.8	L158 F215 V250 E251	L158-L160 PolarHBondContact O-N 3.13Å; L158-L160 VanDerWaalsContact O-N 3.16Å; L160-F215 HydrophobicContact CG-CB 4.31Å; L160-V250 WeakPolarHBondContact O-CB 3.35Å; L160-V250 PolarHBondContact O-N 3.43Å; L160-E251 HydrophobicContact CB-CB 4.08Å; L160-E251 HydrophobicContact CD2-CB 4.06Å; L160-E251 HydrophobicContact CG-CB 4.48Å
161	E	97.4	Very high	96.9	Very high	111 Å²	111	30 Å²	30	52%	0.519	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	145.2	-174	-63.1	179.1	177.6	0	0	111.9	A157 L158 V218 L248	A157-E161 CarbonylContact C-O 3.59Å; A157-E161 WeakPolarHBondContact CA-O 3.44Å; L158-E161 PolarHBondContact N-O 2.9Å; L158-E161 PolarHBondContact O-N 2.92Å; L158-E161 VanDerWaalsContact O-O 3.14Å; E161-V218 WeakPolarHBondContact O-CG1 3.48Å; E161-L248 CarbonylContact C-O 3.54Å; E161-L248 WeakPolarHBondContact CA-O 3.29Å
162	G	97.6	Very high	96.8	Very high	5 Å²	5	32.8 Å²	32.8	5%	0.052	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	154.2	175.7	0	0	0	0	0	111.5	S156 L248	S156-G162 CarbonylContact O-C 3.6Å; S156-G162 VanDerWaalsContact O-CA 3.3Å; S156-G162 WeakPolarHBondContact O-CA 3.46Å; G162-L248 PolarHBondContact N-O 3.37Å; G162-L248 PolarHBondContact O-N 3.3Å
163	Q	97.9	Very high	96.5	Very high	55 Å²	55	33.7 Å²	33.7	26%	0.257	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	153.1	174.8	60.2	176.8	1	0	0	112.1	G155 S156 L245 F246 L247	G155-Q163 WeakPolarHBondContact CA-O 3.46Å; S156-Q163 PolarHBondContact N-O 3.42Å; S156-Q163 PolarHBondContact O-N 3.3Å; S156-Q163 WeakPolarHBondContact OG-CG 3.31Å; S156-Q163 PolarHBondContact OG-NE2 2.85Å; Q163-L245 HydrophobicContact CB-CD1 4.09Å; Q163-F246 CarbonylContact C-O 3.5Å; Q163-F246 WeakPolarHBondContact CA-O 3.25Å; Q163-F246 VanDerWaalsContact CB-O 3.25Å; Q163-F246 WeakPolarHBondContact CB-O 3.45Å; Q163-L247 HydrophobicContact CB-CD2 3.85Å
164	M	98.4	Very high	96.1	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	143.4	-179.8	-172.6	-166.4	70.1	0	0	111.7	S154 I222 M225 Q226 E229 H241 F246	S154-M164 VanDerWaalsContact O-CA 3.31Å; S154-M164 WeakPolarHBondContact O-CA 3.36Å; M164-I222 HydrophobicContact CB-CG2 4.39Å; M164-M225 HydrophobicContact CE-CB 4Å; M164-M225 HydrophobicContact CE-CE 3.89Å; M164-M225 HydrophobicContact SD-CB 3.5Å; M164-M225 WeakPolarHBondContact SD-CB 3.23Å; M164-Q226 HydrophobicContact CG-CG 4.08Å; M164-Q226 HydrophobicContact SD-CG 4.01Å; M164-Q226 PolarHBondContact SD-N 3.37Å; M164-E229 HydrophobicContact CE-CG 3.46Å; M164-E229 VanDerWaalsContact CE-CG 3.46Å; M164-E229 HydrophobicContact SD-CG 3.78Å; M164-H241 HydrophobicContact CE-CB 4.15Å; M164-F246 HydrophobicContact CB-CB 4.4Å; M164-F246 HydrophobicContact CB-CD1 4.49Å; M164-F246 PolarHBondContact N-O 3.34Å; M164-F246 WeakPolarHBondContact O-CB 3.39Å; M164-F246 PolarHBondContact O-N 3.43Å
165	T	98.2	Very high	95.6	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.012	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	158.3	169.7	178.2	0	0	0	0	110.7	S154 Y167 R244 L245	S154-T165 PolarHBondContact N-O 3.36Å; S154-T165 PolarHBondContact O-N 2.91Å; T165-Y167 HydrophobicContact CG2-CD1 4Å; T165-Y167 HydrophobicContact CG2-CD2 4.1Å; T165-Y167 HydrophobicContact CG2-CE1 3.41Å; T165-Y167 VanDerWaalsContact CG2-CE1 3.41Å; T165-Y167 HydrophobicContact CG2-CE2 3.51Å; T165-Y167 HydrophobicContact CG2-CG 4.33Å; T165-Y167 VanDerWaalsContact CG2-OH 3.29Å; T165-Y167 WeakPolarHBondContact CG2-OH 3.26Å; T165-R244 WeakPolarHBondContact CB-O 3.42Å; T165-R244 PolarHBondContact OG1-O 3.16Å; T165-L245 HydrophobicContact CG2-CD1 3.97Å
166	V	98.5	Very high	95.1	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	116.7	169	-175.6	0	0	0	0	110.1	P151 L152 V153 E229 I233 V240 H241 T242	P151-V166 HydrophobicContact CB-CG1 4.42Å; L152-V166 CarbonylContact O-C 3.57Å; L152-V166 WeakPolarHBondContact O-CA 3.24Å; V153-V166 HydrophobicContact CG1-CG2 4.37Å; V153-V166 HydrophobicContact CG2-CG2 4.06Å; V166-E229 HydrophobicContact CG2-CB 4.04Å; V166-E229 HydrophobicContact CG2-CG 4.12Å; V166-I233 HydrophobicContact CG1-CD1 3.98Å; V166-I233 HydrophobicContact CG2-CD1 4.29Å; V166-V240 HydrophobicContact CB-CG1 3.85Å; V166-V240 HydrophobicContact CG1-CG1 3.97Å; V166-V240 HydrophobicContact CG2-CG1 3.57Å; V166-H241 PolarHBondContact N-O 2.81Å; V166-T242 WeakPolarHBondContact O-CA 3.5Å; V166-T242 PolarHBondContact O-OG1 2.6Å
167	Y	98	Very high	94.8	Very high	6 Å²	6	46.9 Å²	46.9	2%	0.024	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	166.3	-179.5	-66.6	-57.2	0	0	0	112.7	L152 T165 T169 P191 F193 L196 L260	L152-Y167 HydrophobicContact CD2-CD2 4.27Å; L152-Y167 HydrophobicContact CG-CD2 4.39Å; L152-Y167 PolarHBondContact N-O 2.64Å; L152-Y167 PolarHBondContact O-N 2.71Å; T165-Y167 HydrophobicContact CG2-CD1 4Å; T165-Y167 HydrophobicContact CG2-CD2 4.1Å; T165-Y167 HydrophobicContact CG2-CE1 3.41Å; T165-Y167 VanDerWaalsContact CG2-CE1 3.41Å; T165-Y167 HydrophobicContact CG2-CE2 3.51Å; T165-Y167 HydrophobicContact CG2-CG 4.33Å; T165-Y167 VanDerWaalsContact CG2-OH 3.29Å; T165-Y167 WeakPolarHBondContact CG2-OH 3.26Å; Y167-T169 VanDerWaalsContact C-N 3.26Å; Y167-T169 PolarHBondContact O-N 3.42Å; Y167-P191 WeakPolarHBondContact CA-O 3.39Å; Y167-P191 VanDerWaalsContact CD1-O 3.26Å; Y167-P191 WeakPolarHBondContact CD1-O 3.1Å; Y167-F193 HydrophobicContact CD2-CB 4.43Å; Y167-F193 HydrophobicContact CE2-CB 4.18Å; Y167-F193 AromaticContact CE2-CD2 3.9Å; Y167-F193 HydrophobicContact CE2-CD2 3.9Å; Y167-F193 AromaticContact CZ-CD2 3.95Å; Y167-L196 HydrophobicContact CE1-CD1 3.67Å; Y167-L196 HydrophobicContact CE1-CG 4.45Å; Y167-L260 HydrophobicContact CE1-CD1 4.41Å
168	L	95.7	Very high	94.2	Very high	5 Å²	5	49.3 Å²	49.3	3%	0.026	25%	0.246	C	C	.	.	S	Bend	trans	68	-62.9	173.7	-60.6	165.7	0	0	0	115.1	C144 A145 K150 L152 A190 P191 C192 C270	C144-L168 HydrophobicContact CB-CD1 3.44Å; C144-L168 VanDerWaalsContact CB-CD1 3.44Å; A145-L168 HydrophobicContact CB-CD1 4.34Å; A145-L168 HydrophobicContact CB-CD2 3.91Å; K150-L168 WeakPolarHBondContact O-CD1 3.27Å; L152-L168 HydrophobicContact CB-CD1 4.32Å; L168-A190 PolarHBondContact O-N 3.06Å; L168-P191 PolarHBondContact N-O 3.12Å; L168-C192 HydrophobicContact CD2-CB 3.45Å; L168-C192 VanDerWaalsContact CD2-CB 3.45Å; L168-C192 HydrophobicContact CG-CB 4.17Å; L168-C270 HydrophobicContact CD2-CB 4.11Å
169	T	95.3	Very high	93.8	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-149.5	148.7	-179.8	175.6	0	0	0	0	111.2	P149 P151 Y167 R171 Y188	P149-T169 VanDerWaalsContact O-CG2 3.31Å; P149-T169 WeakPolarHBondContact O-CG2 3.33Å; P151-T169 WeakPolarHBondContact CA-O 3.49Å; P151-T169 HydrophobicContact CB-CG2 4.42Å; P151-T169 WeakPolarHBondContact CB-O 3.13Å; P151-T169 HydrophobicContact CG-CG2 3.85Å; Y167-T169 VanDerWaalsContact C-N 3.26Å; Y167-T169 PolarHBondContact O-N 3.42Å; T169-R171 WeakPolarHBondContact CG2-O 3.44Å; T169-R171 PolarHBondContact OG1-N 3.2Å; T169-R171 PolarHBondContact OG1-O 3.48Å; T169-Y188 VanDerWaalsContact CA-O 3.27Å; T169-Y188 WeakPolarHBondContact CA-O 3.45Å
170	K	94.3	Very high	93.1	Very high	80 Å²	80	51.8 Å²	51.8	35%	0.348	28%	0.276	S	S	.	.	S	Bend	trans	-87	-5.7	178.6	72.2	-176.3	179.7	-172.3	0	114.8	E187 Y188 V240 T242	K170-E187 VanDerWaalsContact CE-O 3.24Å; K170-E187 WeakPolarHBondContact CE-O 3.33Å; K170-E187 PolarHBondContact NZ-O 2.99Å; K170-Y188 HydrophobicContact CD-CD1 4.03Å; K170-Y188 HydrophobicContact CG-CD1 3.75Å; K170-Y188 HydrophobicContact CG-CG 4.47Å; K170-Y188 PolarHBondContact N-O 2.93Å; K170-Y188 VanDerWaalsContact N-O 3.15Å; K170-V240 HydrophobicContact CB-CB 4.35Å; K170-V240 HydrophobicContact CB-CG1 4.48Å; K170-T242 HydrophobicContact CB-CG2 3.45Å; K170-T242 VanDerWaalsContact CB-CG2 3.45Å; K170-T242 HydrophobicContact CD-CG2 4.05Å; K170-T242 HydrophobicContact CG-CG2 4.35Å
171	R	95.1	Very high	91.7	Very high	65 Å²	65	51.5 Å²	51.5	25%	0.245	28%	0.279	C	S	.	.	S	Bend	trans	-149.6	164	178	67.7	168.3	179	83	-2.6	112.2	P151 T169 E177 Y188	P151-R171 WeakPolarHBondContact CG-O 3.36Å; T169-R171 WeakPolarHBondContact CG2-O 3.44Å; T169-R171 PolarHBondContact OG1-N 3.2Å; T169-R171 PolarHBondContact OG1-O 3.48Å; R171-E177 IonicContact CZ-OE1 3.56Å; R171-E177 IonicContact CZ-OE2 2.94Å; R171-E177 IonicContact NH1-OE1 3.27Å; R171-E177 IonicContact NH1-OE2 3.59Å; R171-E177 PolarHBondContact NH1-OE2 2.89Å; R171-E177 IonicContact NH2-OE1 3.46Å; R171-E177 PolarHBondContact NH2-OE1 3.3Å; R171-E177 IonicContact NH2-OE2 2.98Å; R171-E177 PolarHBondContact NH2-OE2 2.83Å; R171-Y188 HydrophobicContact CG-CD1 3.79Å; R171-Y188 HydrophobicContact CG-CE1 4.36Å; R171-Y188 HydrophobicContact CG-CG 4.08Å; R171-Y188 VanDerWaalsContact NE-CE2 3.27Å
172	I	95	Very high	90.5	Very high	60 Å²	60	47.9 Å²	47.9	31%	0.308	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-66.3	133.1	170.3	-58.1	161.6	0	0	0	108.7	D125 V126 P151 I233 L234	D125-I172 HydrophobicContact CB-CD1 3.62Å; D125-I172 HydrophobicContact CB-CG1 4.04Å; V126-I172 HydrophobicContact CG2-CD1 4.3Å; V126-I172 HydrophobicContact CG2-CG1 4.24Å; P151-I172 HydrophobicContact CG-CG1 4.49Å; I172-I233 HydrophobicContact CG1-CG2 4.3Å; I172-L234 HydrophobicContact CD1-CD2 3.81Å
173	L	92.2	Very high	89.8	Confident	20 Å²	20	48.7 Å²	48.7	11%	0.105	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-86.5	145.5	177.5	-61.4	-178.3	0	0	0	110.3	P149 E177 V178 P184	P149-L173 HydrophobicContact CB-CD1 4.16Å; L173-E177 WeakPolarHBondContact CA-OE2 3.29Å; L173-E177 HydrophobicContact CB-CB 4.09Å; L173-V178 HydrophobicContact CB-CG2 3.81Å; L173-V178 HydrophobicContact CD1-CG2 4.44Å; L173-P184 HydrophobicContact CD1-CB 4.2Å; L173-P184 HydrophobicContact CD1-CG 4.2Å; L173-P184 HydrophobicContact CD2-CB 4.27Å
174	S	91	Very high	89.2	Confident	46 Å²	46	46.4 Å²	46.4	32%	0.322	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-70.4	161.9	172.8	89.9	0	0	0	0	111	E176 E177 V178	S174-E176 VanDerWaalsContact CB-OE2 3.3Å; S174-E176 WeakPolarHBondContact CB-OE2 3.31Å; S174-E176 PolarHBondContact O-N 2.99Å; S174-E176 PolarHBondContact OG-N 3.38Å; S174-E176 PolarHBondContact OG-OE2 3.08Å; S174-E177 PolarHBondContact N-OE2 3.39Å; S174-E177 PolarHBondContact O-N 3.43Å; S174-E177 VanDerWaalsContact O-N 3.09Å; S174-E177 WeakPolarHBondContact OG-CG 3.46Å; S174-E177 PolarHBondContact OG-N 3.29Å; S174-V178 WeakPolarHBondContact O-CG2 3.42Å; S174-V178 PolarHBondContact O-N 2.91Å
175	S	87.6	Confident	88.7	Confident	86 Å²	86	48.6 Å²	48.6	60%	0.601	27%	0.274	S	S	*	.	H	α-helix	trans	-57.7	-38.5	175.6	-59.2	0	0	0	0	111.7	V178 L179	S175-V178 PolarHBondContact O-N 3.32Å; S175-L179 WeakPolarHBondContact O-CB 3.42Å; S175-L179 WeakPolarHBondContact O-CD1 3.13Å; S175-L179 WeakPolarHBondContact O-CG 3.28Å; S175-L179 PolarHBondContact O-N 2.95Å
176	E	88.3	Confident	88.2	Confident	133 Å²	133	53 Å²	53	62%	0.621	31%	0.31	S	S	*	.	H	α-helix	trans	-64.8	-39.8	175.8	-57.2	75.4	-162.1	0	0	111.8	S174 L179 S180	S174-E176 VanDerWaalsContact CB-OE2 3.3Å; S174-E176 WeakPolarHBondContact CB-OE2 3.31Å; S174-E176 PolarHBondContact O-N 2.99Å; S174-E176 PolarHBondContact OG-N 3.38Å; S174-E176 PolarHBondContact OG-OE2 3.08Å; E176-L179 PolarHBondContact O-N 3.34Å; E176-S180 WeakPolarHBondContact O-CB 3.49Å; E176-S180 PolarHBondContact O-N 2.9Å; E176-S180 PolarHBondContact O-OG 3.28Å
177	E	89.1	Confident	87.8	Confident	39 Å²	39	59 Å²	59	18%	0.182	34%	0.338	C	S	.	.	H	α-helix	trans	-66.8	-39	177.7	-68.4	-179.2	124.5	0	0	112.1	R171 L173 S174 S180 S181 P185	R171-E177 IonicContact CZ-OE1 3.56Å; R171-E177 IonicContact CZ-OE2 2.94Å; R171-E177 IonicContact NH1-OE1 3.27Å; R171-E177 IonicContact NH1-OE2 3.59Å; R171-E177 PolarHBondContact NH1-OE2 2.89Å; R171-E177 IonicContact NH2-OE1 3.46Å; R171-E177 PolarHBondContact NH2-OE1 3.3Å; R171-E177 IonicContact NH2-OE2 2.98Å; R171-E177 PolarHBondContact NH2-OE2 2.83Å; L173-E177 WeakPolarHBondContact CA-OE2 3.29Å; L173-E177 HydrophobicContact CB-CB 4.09Å; S174-E177 PolarHBondContact N-OE2 3.39Å; S174-E177 PolarHBondContact O-N 3.43Å; S174-E177 VanDerWaalsContact O-N 3.09Å; S174-E177 WeakPolarHBondContact OG-CG 3.46Å; S174-E177 PolarHBondContact OG-N 3.29Å; E177-S180 PolarHBondContact O-OG 3.07Å; E177-S181 PolarHBondContact O-N 3.08Å; E177-P185 WeakPolarHBondContact OE1-CG 3.37Å
178	V	85.1	Confident	87.4	Confident	63 Å²	63	61.5 Å²	61.5	38%	0.382	35%	0.348	S	S	.	.	H	α-helix	trans	-67.4	-36.8	175.8	175.4	0	0	0	0	111.4	L173 S174 S175	L173-V178 HydrophobicContact CB-CG2 3.81Å; L173-V178 HydrophobicContact CD1-CG2 4.44Å; S174-V178 WeakPolarHBondContact O-CG2 3.42Å; S174-V178 PolarHBondContact O-N 2.91Å; S175-V178 PolarHBondContact O-N 3.32Å
179	L	82.5	Confident	87.3	Confident	151 Å²	151	63.2 Å²	63.2	79%	0.791	35%	0.354	S	S	*	.	H	α-helix	trans	-82.1	-31.8	-179.1	-69	170.6	0	0	0	113.7	S175 E176	S175-L179 WeakPolarHBondContact O-CB 3.42Å; S175-L179 WeakPolarHBondContact O-CD1 3.13Å; S175-L179 WeakPolarHBondContact O-CG 3.28Å; S175-L179 PolarHBondContact O-N 2.95Å; E176-L179 PolarHBondContact O-N 3.34Å
180	S	80.1	Confident	87.3	Confident	98 Å²	98	63.4 Å²	63.4	69%	0.685	36%	0.356	S	S	*	.	H	α-helix	trans	-82.3	-25.6	-174.4	57.6	0	0	0	0	114	E176 E177	E176-S180 WeakPolarHBondContact O-CB 3.49Å; E176-S180 PolarHBondContact O-N 2.9Å; E176-S180 PolarHBondContact O-OG 3.28Å; E177-S180 PolarHBondContact O-OG 3.07Å
181	S	68.7	Low	87.4	Confident	55 Å²	55	59.7 Å²	59.7	39%	0.385	34%	0.34	S	S	.	.			trans	-144	141.3	-174.4	173.2	0	0	0	0	111	E177 N183	E177-S181 PolarHBondContact O-N 3.08Å; S181-N183 WeakPolarHBondContact CB-O 3.3Å; S181-N183 PolarHBondContact O-N 3.32Å; S181-N183 PolarHBondContact OG-N 3.17Å; S181-N183 PolarHBondContact OG-O 2.88Å
182	S	71.8	Confident	87.5	Confident	36 Å²	36	56.6 Å²	56.6	25%	0.252	33%	0.328	S	S	.	.	S	Bend	trans	-70.5	-14.5	171.4	-32	0	0	0	0	112	M275 K276	S182-M275 WeakPolarHBondContact O-CB 3.38Å; S182-M275 WeakPolarHBondContact O-CG 3.43Å; S182-K276 VanDerWaalsContact OG-CG 3.3Å; S182-K276 WeakPolarHBondContact OG-CG 3.35Å
183	N	82.5	Confident	87.5	Confident	22 Å²	22	54.3 Å²	54.3	12%	0.118	32%	0.316	C	S	.	.	S	Bend	trans	-126.8	148.3	-176.3	-76.7	-42.1	0	0	0	111.9	S181 R189 C270	S181-N183 WeakPolarHBondContact CB-O 3.3Å; S181-N183 PolarHBondContact O-N 3.32Å; S181-N183 PolarHBondContact OG-N 3.17Å; S181-N183 PolarHBondContact OG-O 2.88Å; N183-R189 PolarHBondContact OD1-NH1 2.86Å; N183-C270 PolarHBondContact OD1-O 3.04Å
184	P	85.8	Confident	87.7	Confident	7 Å²	7	54.6 Å²	54.6	5%	0.045	32%	0.316	C	S	.	.			trans	-56.8	152.7	169.7	-18.8	30.8	0	0	0	111.1	P149 L173 R189	P149-P184 HydrophobicContact CB-CG 3.68Å; P149-P184 HydrophobicContact CG-CG 4.16Å; L173-P184 HydrophobicContact CD1-CB 4.2Å; L173-P184 HydrophobicContact CD1-CG 4.2Å; L173-P184 HydrophobicContact CD2-CB 4.27Å; P184-R189 HydrophobicContact CB-CB 4.21Å; P184-R189 HydrophobicContact CB-CG 4.47Å; P184-R189 HydrophobicContact CG-CG 4.44Å
185	P	88.1	Confident	87.9	Confident	46 Å²	46	52.4 Å²	52.4	30%	0.299	30%	0.3	S	S	.	.			trans	-53.3	143.2	170.7	-20.6	29.8	0	0	0	110.9	E177 E187 Y188 R189	E177-P185 WeakPolarHBondContact OE1-CG 3.37Å; P185-E187 HydrophobicContact CB-CG 4.41Å; P185-E187 PolarHBondContact O-N 2.94Å; P185-Y188 HydrophobicContact CB-CD2 3.95Å; P185-Y188 HydrophobicContact CG-CD2 4.02Å; P185-Y188 PolarHBondContact O-N 3.13Å; P185-R189 WeakPolarHBondContact O-CB 3.35Å; P185-R189 PolarHBondContact O-N 3.35Å
186	A	88.3	Confident	88.3	Confident	94 Å²	94	49.8 Å²	49.8	78%	0.777	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-34.7	-171.4	0	0	0	0	0	113.4	Y188 R189	A186-Y188 VanDerWaalsContact C-N 3.32Å; A186-Y188 PolarHBondContact O-N 3.05Å; A186-R189 PolarHBondContact O-N 2.81Å
187	E	89.4	Confident	88.5	Confident	126 Å²	126	47.8 Å²	47.8	59%	0.589	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-19.6	179.1	65.9	-177.3	-161.7	0	0	115.3	K170 P185	K170-E187 VanDerWaalsContact CE-O 3.24Å; K170-E187 WeakPolarHBondContact CE-O 3.33Å; K170-E187 PolarHBondContact NZ-O 2.99Å; P185-E187 HydrophobicContact CB-CG 4.41Å; P185-E187 PolarHBondContact O-N 2.94Å
188	Y	90.5	Very high	88.7	Confident	59 Å²	59	48.1 Å²	48.1	23%	0.231	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-9.9	177	-57.3	-69	0	0	0	113	T169 K170 R171 P185 A186	T169-Y188 VanDerWaalsContact CA-O 3.27Å; T169-Y188 WeakPolarHBondContact CA-O 3.45Å; K170-Y188 HydrophobicContact CD-CD1 4.03Å; K170-Y188 HydrophobicContact CG-CD1 3.75Å; K170-Y188 HydrophobicContact CG-CG 4.47Å; K170-Y188 PolarHBondContact N-O 2.93Å; K170-Y188 VanDerWaalsContact N-O 3.15Å; R171-Y188 HydrophobicContact CG-CD1 3.79Å; R171-Y188 HydrophobicContact CG-CE1 4.36Å; R171-Y188 HydrophobicContact CG-CG 4.08Å; R171-Y188 VanDerWaalsContact NE-CE2 3.27Å; P185-Y188 HydrophobicContact CB-CD2 3.95Å; P185-Y188 HydrophobicContact CG-CD2 4.02Å; P185-Y188 PolarHBondContact O-N 3.13Å; A186-Y188 VanDerWaalsContact C-N 3.32Å; A186-Y188 PolarHBondContact O-N 3.05Å
189	R	92.5	Very high	88.8	Confident	42 Å²	42	50.5 Å²	50.5	16%	0.158	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-77.7	133	-172.6	-168.6	-179.4	164.1	77.9	-12.6	111.3	N183 P184 P185 A186 P263 C270	N183-R189 PolarHBondContact OD1-NH1 2.86Å; P184-R189 HydrophobicContact CB-CB 4.21Å; P184-R189 HydrophobicContact CB-CG 4.47Å; P184-R189 HydrophobicContact CG-CG 4.44Å; P185-R189 WeakPolarHBondContact O-CB 3.35Å; P185-R189 PolarHBondContact O-N 3.35Å; A186-R189 PolarHBondContact O-N 2.81Å; R189-P263 HydrophobicContact CG-CB 4.44Å; R189-P263 HydrophobicContact CG-CG 3.71Å; R189-C270 PolarHBondContact NH1-O 2.9Å; R189-C270 PolarHBondContact NH2-O 3.46Å
190	A	95.1	Very high	89	Confident	4 Å²	4	44.1 Å²	44.1	3%	0.033	26%	0.255	C	S	.	.			trans	-125.6	155.6	178.8	0	0	0	0	0	110.8	L168 T242	L168-A190 PolarHBondContact O-N 3.06Å; A190-T242 WeakPolarHBondContact CB-OG1 3.46Å
191	P	96.5	Very high	89.1	Confident	2 Å²	2	42 Å²	42	1%	0.013	24%	0.239	C	C	.	.			trans	-56.4	149.4	171.8	27.9	-38.2	0	0	0	110.2	Y167 L168 C195 L260 R261	Y167-P191 WeakPolarHBondContact CA-O 3.39Å; Y167-P191 VanDerWaalsContact CD1-O 3.26Å; Y167-P191 WeakPolarHBondContact CD1-O 3.1Å; L168-P191 PolarHBondContact N-O 3.12Å; P191-C195 HydrophobicContact CB-CB 3.83Å; P191-L260 HydrophobicContact CG-CB 4.02Å; P191-L260 HydrophobicContact CG-CD1 4.12Å; P191-R261 WeakPolarHBondContact CB-O 3.19Å; P191-R261 VanDerWaalsContact CG-O 3.22Å; P191-R261 WeakPolarHBondContact CG-O 3.47Å
192	C	96.6	Very high	89.4	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.248	C	C	.	.			trans	-92.3	169.9	169.1	81.8	0	0	0	0	110.3	N141 L168 R194 C195 C270	N141-C192 VanDerWaalsContact OD1-CB 3.25Å; N141-C192 WeakPolarHBondContact OD1-CB 3.43Å; L168-C192 HydrophobicContact CD2-CB 3.45Å; L168-C192 VanDerWaalsContact CD2-CB 3.45Å; L168-C192 HydrophobicContact CG-CB 4.17Å; C192-R194 PolarHBondContact O-N 2.83Å; C192-R194 PolarHBondContact SG-N 3.4Å; C192-C195 VanDerWaalsContact O-CB 3.25Å; C192-C195 WeakPolarHBondContact O-CB 3.42Å; C192-C195 PolarHBondContact O-N 3.04Å; C192-C195 PolarHBondContact SG-N 2.83Å; C192-C195 VanDerWaalsContact SG-SG 3.61Å; C192-C270 HydrophobicContact CB-CB 4.23Å
193	F	96.7	Very high	89.5	Confident	12 Å²	12	43.8 Å²	43.8	5%	0.053	25%	0.251	C	S	.	.	H	α-helix	trans	-54.5	-41	176.4	-172.9	-102.8	0	0	0	111.9	L134 R137 Y138 N141 Y167 C195 L196 Y197	L134-F193 HydrophobicContact CD1-CE1 4.11Å; L134-F193 HydrophobicContact CD1-CZ 4.01Å; R137-F193 HydrophobicContact CB-CE1 4.23Å; R137-F193 HydrophobicContact CB-CZ 4.22Å; Y138-F193 AromaticContact CD1-CD1 3.72Å; Y138-F193 HydrophobicContact CD1-CD1 3.72Å; Y138-F193 AromaticContact CD1-CE1 3.99Å; Y138-F193 HydrophobicContact CD1-CE1 3.99Å; Y138-F193 HydrophobicContact CD2-CD1 4.4Å; Y138-F193 AromaticContact CD2-CE1 3.89Å; Y138-F193 HydrophobicContact CD2-CE1 3.89Å; Y138-F193 AromaticContact CE1-CD1 3.69Å; Y138-F193 HydrophobicContact CE1-CD1 3.69Å; Y138-F193 AromaticContact CE1-CE1 3.76Å; Y138-F193 HydrophobicContact CE1-CE1 3.76Å; Y138-F193 HydrophobicContact CE2-CD1 4.42Å; Y138-F193 AromaticContact CE2-CE1 3.71Å; Y138-F193 HydrophobicContact CE2-CE1 3.71Å; Y138-F193 HydrophobicContact CG-CD1 4.08Å; Y138-F193 HydrophobicContact CG-CE1 4.03Å; Y138-F193 AromaticContact CZ-CE1 3.64Å; N141-F193 HydrophobicContact CB-CB 3.81Å; N141-F193 WeakPolarHBondContact OD1-CB 3.5Å; N141-F193 PolarHBondContact OD1-N 2.91Å; Y167-F193 HydrophobicContact CD2-CB 4.43Å; Y167-F193 HydrophobicContact CE2-CB 4.18Å; Y167-F193 AromaticContact CE2-CD2 3.9Å; Y167-F193 HydrophobicContact CE2-CD2 3.9Å; Y167-F193 AromaticContact CZ-CD2 3.95Å; F193-C195 PolarHBondContact O-N 2.86Å; F193-L196 PolarHBondContact O-N 2.67Å; F193-L196 VanDerWaalsContact O-N 3.11Å; F193-Y197 HydrophobicContact CD1-CD2 4.4Å; F193-Y197 AromaticContact CD2-CD2 3.9Å; F193-Y197 HydrophobicContact CD2-CD2 3.9Å; F193-Y197 HydrophobicContact CD2-CE2 4.17Å; F193-Y197 HydrophobicContact CE1-CD2 4.07Å; F193-Y197 AromaticContact CE2-CD2 3.51Å; F193-Y197 HydrophobicContact CE2-CD2 3.51Å; F193-Y197 AromaticContact CE2-CE2 3.68Å; F193-Y197 HydrophobicContact CE2-CE2 3.68Å; F193-Y197 HydrophobicContact CG-CD2 4.32Å; F193-Y197 AromaticContact CZ-CD2 3.6Å; F193-Y197 HydrophobicContact CZ-CD2 3.6Å; F193-Y197 HydrophobicContact CZ-CE2 4.11Å; F193-Y197 HydrophobicContact CZ-CG 4.37Å; F193-Y197 PolarHBondContact O-N 3.21Å
194	R	94.9	Very high	88.8	Confident	25 Å²	25	48 Å²	48	9%	0.094	28%	0.282	C	S	.	.	H	α-helix	trans	-67.8	-18.5	177.1	-164	64	179.8	-115.1	3.7	114.1	C192 Y197 P198 P268 V269 F289	C192-R194 PolarHBondContact O-N 2.83Å; C192-R194 PolarHBondContact SG-N 3.4Å; R194-Y197 WeakPolarHBondContact CD-O 3.12Å; R194-P198 VanDerWaalsContact CZ-O 3.23Å; R194-P198 PolarHBondContact NE-O 2.78Å; R194-P198 PolarHBondContact NH2-O 3.19Å; R194-P198 WeakPolarHBondContact O-CA 3.48Å; R194-P268 HydrophobicContact CG-CG 4.07Å; R194-V269 HydrophobicContact CB-CB 4.42Å; R194-V269 HydrophobicContact CB-CG2 4.03Å; R194-V269 HydrophobicContact CG-CG2 4.06Å; R194-F289 VanDerWaalsContact CZ-CZ 3.5Å
195	C	96.4	Very high	88.1	Confident	0 Å²	0	51 Å²	51	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-71.6	-34.8	171.6	-69.8	0	0	0	0	111.9	P191 C192 F193 R264	P191-C195 HydrophobicContact CB-CB 3.83Å; C192-C195 VanDerWaalsContact O-CB 3.25Å; C192-C195 WeakPolarHBondContact O-CB 3.42Å; C192-C195 PolarHBondContact O-N 3.04Å; C192-C195 PolarHBondContact SG-N 2.83Å; C192-C195 VanDerWaalsContact SG-SG 3.61Å; F193-C195 PolarHBondContact O-N 2.86Å; C195-R264 HydrophobicContact CB-CG 4.43Å; C195-R264 PolarHBondContact SG-N 2.92Å; C195-R264 VanDerWaalsContact SG-N 3.42Å
196	L	95.1	Very high	87.3	Confident	32 Å²	32	51.1 Å²	51.1	17%	0.168	30%	0.303	C	S	.	.	H	α-helix	trans	-83.7	-40	178.8	-59.9	-174.8	0	0	0	112.2	Y167 F193 P198 L260 R261	Y167-L196 HydrophobicContact CE1-CD1 3.67Å; Y167-L196 HydrophobicContact CE1-CG 4.45Å; F193-L196 PolarHBondContact O-N 2.67Å; F193-L196 VanDerWaalsContact O-N 3.11Å; L196-P198 WeakPolarHBondContact O-CD 3.34Å; L196-L260 HydrophobicContact CD1-CD1 3.99Å; L196-L260 HydrophobicContact CD1-CD2 3.76Å; L196-L260 HydrophobicContact CD1-CG 4.47Å; L196-L260 HydrophobicContact CD2-CB 4.39Å; L196-L260 HydrophobicContact CD2-CD2 3.82Å; L196-L260 HydrophobicContact CD2-CG 4.48Å; L196-L260 HydrophobicContact CG-CD2 4.47Å; L196-R261 HydrophobicContact CD2-CG 3.91Å
197	Y	93.4	Very high	86.4	Confident	91 Å²	91	50.9 Å²	50.9	36%	0.357	29%	0.286	S	S	.	.			trans	-122.7	77.7	-177.7	-52.5	-72.4	0	0	0	110.2	Y138 F193 R194 V199	Y138-Y197 WeakPolarHBondContact CE1-O 3.33Å; Y138-Y197 VanDerWaalsContact OH-CB 3.29Å; Y138-Y197 WeakPolarHBondContact OH-CB 3.31Å; Y138-Y197 PolarHBondContact OH-O 2.58Å; F193-Y197 HydrophobicContact CD1-CD2 4.4Å; F193-Y197 AromaticContact CD2-CD2 3.9Å; F193-Y197 HydrophobicContact CD2-CD2 3.9Å; F193-Y197 HydrophobicContact CD2-CE2 4.17Å; F193-Y197 HydrophobicContact CE1-CD2 4.07Å; F193-Y197 AromaticContact CE2-CD2 3.51Å; F193-Y197 HydrophobicContact CE2-CD2 3.51Å; F193-Y197 AromaticContact CE2-CE2 3.68Å; F193-Y197 HydrophobicContact CE2-CE2 3.68Å; F193-Y197 HydrophobicContact CG-CD2 4.32Å; F193-Y197 AromaticContact CZ-CD2 3.6Å; F193-Y197 HydrophobicContact CZ-CD2 3.6Å; F193-Y197 HydrophobicContact CZ-CE2 4.11Å; F193-Y197 HydrophobicContact CZ-CG 4.37Å; F193-Y197 PolarHBondContact O-N 3.21Å; R194-Y197 WeakPolarHBondContact CD-O 3.12Å; Y197-V199 VanDerWaalsContact C-N 3.29Å; Y197-V199 PolarHBondContact O-N 3.08Å
198	P	92.1	Very high	85.4	Confident	46 Å²	46	45.5 Å²	45.5	30%	0.299	27%	0.265	S	S	.	.	S	Bend	trans	-64.6	-31.4	-174.5	-25.1	37.2	0	0	0	114.6	R194 L196 R264	R194-P198 VanDerWaalsContact CZ-O 3.23Å; R194-P198 PolarHBondContact NE-O 2.78Å; R194-P198 PolarHBondContact NH2-O 3.19Å; R194-P198 WeakPolarHBondContact O-CA 3.48Å; L196-P198 WeakPolarHBondContact O-CD 3.34Å; P198-R264 VanDerWaalsContact CB-NH1 3.26Å
199	V	88.1	Confident	84.4	Confident	113 Å²	113	43.9 Å²	43.9	69%	0.685	26%	0.262	S	S	*	.	S	Bend	trans	-126.7	127.7	179.1	-177.2	0	0	0	0	106.2	Y197	Y197-V199 VanDerWaalsContact C-N 3.29Å; Y197-V199 PolarHBondContact O-N 3.08Å
200	P	85.6	Confident	83.4	Confident	17 Å²	17	44.8 Å²	44.8	11%	0.11	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-57.7	142.2	174.3	-23.1	32.8	0	0	0	110.6	L134 Y138 F289 C290	L134-P200 HydrophobicContact CD2-CB 4.2Å; Y138-P200 HydrophobicContact CE2-CB 4.07Å; Y138-P200 HydrophobicContact CE2-CG 3.85Å; P200-F289 HydrophobicContact CG-CD1 3.69Å; P200-F289 HydrophobicContact CG-CE1 3.13Å; P200-F289 HydrophobicContact CG-CZ 3.88Å; P200-C290 HydrophobicContact CB-CB 4.26Å; P200-C290 HydrophobicContact CG-CB 4.39Å
201	P	82	Confident	82.4	Confident	54 Å²	54	48.7 Å²	48.7	35%	0.351	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-57.8	152.2	166.9	25.6	-36.3	0	0	0	111.3	L134 S205 V206	L134-P201 HydrophobicContact CD2-CG 3.8Å; P201-S205 WeakPolarHBondContact CB-OG 3.49Å; P201-V206 HydrophobicContact CB-CG2 4.29Å; P201-V206 HydrophobicContact CG-CG2 3.72Å
202	P	76.7	Confident	81.7	Confident	88 Å²	88	49.8 Å²	49.8	57%	0.571	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-54.7	142.4	173.9	-23.8	32.6	0	0	0	111.9	S204 S205	P202-S204 PolarHBondContact O-N 2.85Å; P202-S205 PolarHBondContact O-N 3.46Å; P202-S205 PolarHBondContact O-OG 2.73Å
203	A	72.4	Confident	81.2	Confident	39 Å²	39	51.4 Å²	51.4	32%	0.322	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-56.7	-27.9	-176.8	0	0	0	0	0	114.2	S205 G291 T292	A203-S205 VanDerWaalsContact C-N 3.28Å; A203-S205 PolarHBondContact O-N 3.45Å; A203-G291 VanDerWaalsContact CB-O 3.31Å; A203-G291 WeakPolarHBondContact CB-O 3.48Å; A203-T292 HydrophobicContact CB-CG2 3.97Å
204	S	68.5	Low	81.1	Confident	111 Å²	111	52 Å²	52	78%	0.776	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-70.6	-19.6	175.4	53.9	0	0	0	0	114.2	P202	P202-S204 PolarHBondContact O-N 2.85Å
205	S	71.1	Confident	81	Confident	70 Å²	70	56.2 Å²	56.2	49%	0.49	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-97.9	-6.7	-179.1	66.8	0	0	0	0	113.8	P201 P202 A203	P201-S205 WeakPolarHBondContact CB-OG 3.49Å; P202-S205 PolarHBondContact O-N 3.46Å; P202-S205 PolarHBondContact O-OG 2.73Å; A203-S205 VanDerWaalsContact C-N 3.28Å; A203-S205 PolarHBondContact O-N 3.45Å
206	V	71.2	Confident	81	Confident	48 Å²	48	57.1 Å²	57.1	29%	0.291	35%	0.351	S	S	.	.			trans	-89.5	112.8	179.2	-178.2	0	0	0	0	108.9	L134 P201 T292	L134-V206 HydrophobicContact CB-CG1 4.49Å; L134-V206 HydrophobicContact CD2-CG2 3.96Å; P201-V206 HydrophobicContact CB-CG2 4.29Å; P201-V206 HydrophobicContact CG-CG2 3.72Å; V206-T292 HydrophobicContact CG2-CG2 4.31Å
207	Q	69.2	Low	81.1	Confident	89 Å²	89	59.1 Å²	59.1	42%	0.416	36%	0.364	S	S	.	.			trans	-104.3	127.7	170.6	-63.4	-173.7	-32.4	0	0	109.2	R159 A212	R159-Q207 VanDerWaalsContact NH2-OE1 3.08Å; Q207-A212 HydrophobicContact CB-CB 4.23Å
208	G	68.6	Low	81.3	Confident	14 Å²	14	54.8 Å²	54.8	14%	0.144	35%	0.347	C	S	.	.			trans	-86.5	176.5	170.2	0	0	0	0	0	112.8	S210 E211 A212 D296	G208-S210 PolarHBondContact O-N 3.35Å; G208-E211 PolarHBondContact O-N 2.84Å; G208-A212 WeakPolarHBondContact O-CB 3.47Å; G208-A212 PolarHBondContact O-N 3.49Å; G208-D296 VanDerWaalsContact C-OD2 3.29Å; G208-D296 WeakPolarHBondContact CA-OD1 3.31Å; G208-D296 WeakPolarHBondContact CA-OD2 3.5Å
209	C	69.5	Low	81.6	Confident	25 Å²	25	52.7 Å²	52.7	17%	0.169	33%	0.334	C	S	.	.	H	α-helix	trans	-58.8	-33.8	172.3	-69.8	0	0	0	0	112	A157 E211 G213 V214 D296	A157-C209 PolarHBondContact O-SG 2.84Å; C209-E211 VanDerWaalsContact C-N 3.27Å; C209-E211 PolarHBondContact O-N 2.86Å; C209-G213 VanDerWaalsContact O-CA 3.27Å; C209-G213 WeakPolarHBondContact O-CA 2.9Å; C209-G213 PolarHBondContact O-N 3.12Å; C209-V214 HydrophobicContact CB-CB 4.49Å; C209-V214 HydrophobicContact CB-CG1 4.26Å; C209-D296 WeakPolarHBondContact CA-OD2 3.33Å; C209-D296 WeakPolarHBondContact CB-OD2 3.27Å; C209-D296 PolarHBondContact N-OD2 3.24Å
210	S	71.8	Confident	82	Confident	60 Å²	60	48.4 Å²	48.4	42%	0.42	31%	0.312	S	S	.	.	H	α-helix	trans	-63.4	-30.6	179.5	67.7	0	0	0	0	113.3	G208 D296	G208-S210 PolarHBondContact O-N 3.35Å; S210-D296 VanDerWaalsContact CB-O 3.29Å; S210-D296 WeakPolarHBondContact CB-O 3.38Å; S210-D296 PolarHBondContact N-OD2 3.36Å; S210-D296 PolarHBondContact OG-O 3.5Å; S210-D296 PolarHBondContact OG-OD1 3.38Å
211	E	74.2	Confident	82.7	Confident	86 Å²	86	50.3 Å²	50.3	40%	0.402	32%	0.321	S	S	.	.	H	α-helix	trans	-102	-39.7	-178.3	-166.7	175.7	-170.8	0	0	112.7	G208 C209 K388	G208-E211 PolarHBondContact O-N 2.84Å; C209-E211 VanDerWaalsContact C-N 3.27Å; C209-E211 PolarHBondContact O-N 2.86Å; E211-K388 VanDerWaalsContact OE1-CE 3.28Å; E211-K388 WeakPolarHBondContact OE1-CE 3.48Å; E211-K388 IonicContact OE1-NZ 3.92Å; E211-K388 PolarHBondContact OE1-NZ 3Å
212	A	81	Confident	83.4	Confident	25 Å²	25	47.7 Å²	47.7	21%	0.207	30%	0.304	C	S	.	.	H	α-helix	trans	-84	-16.9	-178.3	0	0	0	0	0	113.6	L158 R159 Q207 G208	L158-A212 HydrophobicContact CD1-CB 3.56Å; L158-A212 HydrophobicContact CG-CB 4.09Å; R159-A212 HydrophobicContact CG-CB 4.14Å; Q207-A212 HydrophobicContact CB-CB 4.23Å; G208-A212 WeakPolarHBondContact O-CB 3.47Å; G208-A212 PolarHBondContact O-N 3.49Å
213	G	87.7	Confident	84.5	Confident	35 Å²	35	43.5 Å²	43.5	36%	0.361	28%	0.277	S	S	.	.			trans	73.9	164.3	-167.7	0	0	0	0	0	112.8	R159 C209	R159-G213 WeakPolarHBondContact CA-O 3.38Å; R159-G213 PolarHBondContact N-O 3.17Å; C209-G213 VanDerWaalsContact O-CA 3.27Å; C209-G213 WeakPolarHBondContact O-CA 2.9Å; C209-G213 PolarHBondContact O-N 3.12Å
214	V	92.9	Very high	85.7	Confident	25 Å²	25	43.8 Å²	43.8	15%	0.152	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-149.3	134.2	176.9	61.4	0	0	0	0	110.3	R75 A157 C209 G216 P219	R75-V214 VanDerWaalsContact CD-CG1 3.47Å; A157-V214 HydrophobicContact CB-CG2 4.16Å; C209-V214 HydrophobicContact CB-CB 4.49Å; C209-V214 HydrophobicContact CB-CG1 4.26Å; V214-G216 PolarHBondContact O-N 3.49Å; V214-P219 HydrophobicContact CG2-CG 3.7Å
215	F	94.5	Very high	87.2	Confident	113 Å²	113	40.8 Å²	40.8	50%	0.496	25%	0.249	S	C	.	.			trans	-76.7	114.2	173	-164.2	-131.8	0	0	0	108.6	R159 L160 V217 V218 P219 V250	R159-F215 PolarHBondContact O-N 3.23Å; L160-F215 HydrophobicContact CG-CB 4.31Å; F215-V217 HydrophobicContact CD1-CG1 3.48Å; F215-V217 VanDerWaalsContact CD1-CG1 3.48Å; F215-V217 HydrophobicContact CE1-CG1 3.63Å; F215-V217 HydrophobicContact CG-CG1 4.39Å; F215-V217 PolarHBondContact O-N 3.37Å; F215-V218 HydrophobicContact CB-CG2 4.21Å; F215-V218 WeakPolarHBondContact O-CB 3.32Å; F215-V218 PolarHBondContact O-N 3.05Å; F215-P219 VanDerWaalsContact O-CD 3.3Å; F215-P219 WeakPolarHBondContact O-CD 3.18Å; F215-V250 HydrophobicContact CD1-CG1 4.45Å
216	G	94.8	Very high	88.5	Confident	18 Å²	18	37.4 Å²	37.4	19%	0.186	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-24.7	-162.1	0	0	0	0	0	116.1	V214 P219	V214-G216 PolarHBondContact O-N 3.49Å; G216-P219 WeakPolarHBondContact O-CD 2.94Å
217	V	97.2	Very high	89.8	Confident	74 Å²	74	35.2 Å²	35.2	45%	0.448	21%	0.212	S	C	.	.	H	α-helix	trans	-70.6	-27.7	176.3	71.8	0	0	0	0	113.4	F215 G220 I221	F215-V217 HydrophobicContact CD1-CG1 3.48Å; F215-V217 VanDerWaalsContact CD1-CG1 3.48Å; F215-V217 HydrophobicContact CE1-CG1 3.63Å; F215-V217 HydrophobicContact CG-CG1 4.39Å; F215-V217 PolarHBondContact O-N 3.37Å; V217-G220 CarbonylContact O-C 3.27Å; V217-G220 VanDerWaalsContact O-CA 3.32Å; V217-G220 WeakPolarHBondContact O-CA 3.33Å; V217-G220 PolarHBondContact O-N 2.96Å; V217-G220 VanDerWaalsContact O-N 3.08Å; V217-I221 HydrophobicContact CG2-CD1 4.1Å; V217-I221 HydrophobicContact CG2-CG1 4.27Å; V217-I221 WeakPolarHBondContact O-CG1 3.48Å; V217-I221 PolarHBondContact O-N 3.15Å
218	V	98.1	Very high	91.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.3	-50.5	-175.1	178.3	0	0	0	0	111.6	A157 E161 F215 G220 I221 I222 V250	A157-V218 HydrophobicContact CB-CB 4.44Å; A157-V218 HydrophobicContact CB-CG1 3.82Å; E161-V218 WeakPolarHBondContact O-CG1 3.48Å; F215-V218 HydrophobicContact CB-CG2 4.21Å; F215-V218 WeakPolarHBondContact O-CB 3.32Å; F215-V218 PolarHBondContact O-N 3.05Å; V218-G220 PolarHBondContact O-N 3.22Å; V218-I221 PolarHBondContact O-N 2.98Å; V218-I222 WeakPolarHBondContact O-CG1 3.33Å; V218-I222 PolarHBondContact O-N 3.44Å; V218-V250 HydrophobicContact CG2-CB 4.35Å; V218-V250 HydrophobicContact CG2-CG2 3.78Å
219	P	97.8	Very high	92.7	Very high	3 Å²	3	33 Å²	33	2%	0.019	21%	0.206	C	C	.	.	H	α-helix	trans	-50.2	-41.2	166.9	-29.9	35.3	0	0	0	113.6	G43 L44 R75 A157 V214 F215 G216 I222 G223	G43-P219 VanDerWaalsContact C-CB 3.47Å; G43-P219 CarbonylContact O-C 3.33Å; G43-P219 WeakPolarHBondContact O-CB 3.47Å; L44-P219 HydrophobicContact CD1-CB 3.82Å; L44-P219 HydrophobicContact CD1-CG 4.39Å; L44-P219 HydrophobicContact CG-CB 4.38Å; R75-P219 HydrophobicContact CB-CG 4.5Å; A157-P219 HydrophobicContact CB-CB 4.49Å; A157-P219 HydrophobicContact CB-CG 3.8Å; V214-P219 HydrophobicContact CG2-CG 3.7Å; F215-P219 VanDerWaalsContact O-CD 3.3Å; F215-P219 WeakPolarHBondContact O-CD 3.18Å; G216-P219 WeakPolarHBondContact O-CD 2.94Å; P219-I222 PolarHBondContact O-N 3.06Å; P219-G223 PolarHBondContact O-N 3Å
220	G	98.3	Very high	94.1	Very high	22 Å²	22	31.8 Å²	31.8	23%	0.227	20%	0.198	C	C	.	.	H	α-helix	trans	-54.4	-56.6	175.5	0	0	0	0	0	112.5	V217 V218 G223 T224	V217-G220 CarbonylContact O-C 3.27Å; V217-G220 VanDerWaalsContact O-CA 3.32Å; V217-G220 WeakPolarHBondContact O-CA 3.33Å; V217-G220 PolarHBondContact O-N 2.96Å; V217-G220 VanDerWaalsContact O-N 3.08Å; V218-G220 PolarHBondContact O-N 3.22Å; G220-G223 PolarHBondContact O-N 3.46Å; G220-T224 WeakPolarHBondContact O-CG2 3.3Å; G220-T224 PolarHBondContact O-N 2.96Å; G220-T224 PolarHBondContact O-OG1 3.13Å
221	I	98.4	Very high	95.3	Very high	57 Å²	57	30.6 Å²	30.6	29%	0.292	19%	0.186	S	C	.	.	H	α-helix	trans	-58.9	-52.3	179.6	-64.4	163.9	0	0	0	110	V217 V218 G223 T224 M225 L248	V217-I221 HydrophobicContact CG2-CD1 4.1Å; V217-I221 HydrophobicContact CG2-CG1 4.27Å; V217-I221 WeakPolarHBondContact O-CG1 3.48Å; V217-I221 PolarHBondContact O-N 3.15Å; V218-I221 PolarHBondContact O-N 2.98Å; I221-G223 PolarHBondContact O-N 2.7Å; I221-T224 PolarHBondContact O-N 2.83Å; I221-T224 PolarHBondContact O-OG1 2.81Å; I221-M225 HydrophobicContact CG2-SD 4.1Å; I221-M225 WeakPolarHBondContact O-CG 3.45Å; I221-M225 PolarHBondContact O-N 3.23Å; I221-L248 HydrophobicContact CB-CD2 4.09Å; I221-L248 HydrophobicContact CD1-CD2 3.97Å; I221-L248 HydrophobicContact CG2-CD2 3.71Å
222	I	98.6	Very high	96.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.2	-44	-178.4	-62.5	-58.9	0	0	0	111.4	L44 M164 V218 P219 T224 M225 Q226 F246 L248	L44-I222 HydrophobicContact CD2-CB 4.33Å; L44-I222 HydrophobicContact CD2-CG2 3.66Å; L44-I222 HydrophobicContact CG-CG2 4.35Å; M164-I222 HydrophobicContact CB-CG2 4.39Å; V218-I222 WeakPolarHBondContact O-CG1 3.33Å; V218-I222 PolarHBondContact O-N 3.44Å; P219-I222 PolarHBondContact O-N 3.06Å; I222-T224 PolarHBondContact O-N 3.2Å; I222-M225 CarbonylContact O-C 3.42Å; I222-M225 WeakPolarHBondContact O-CB 3.31Å; I222-M225 PolarHBondContact O-N 3.18Å; I222-M225 VanDerWaalsContact O-N 3.12Å; I222-Q226 HydrophobicContact CG2-CG 4.36Å; I222-Q226 WeakPolarHBondContact O-CG 3.47Å; I222-Q226 PolarHBondContact O-N 3.4Å; I222-F246 HydrophobicContact CD1-CD1 4.23Å; I222-F246 HydrophobicContact CD1-CE1 4.15Å; I222-L248 HydrophobicContact CD1-CD2 4.45Å
223	G	98.7	Very high	97.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-64.7	-36.4	179.5	0	0	0	0	0	113.5	L44 P219 G220 I221 Q226 A227	L44-G223 WeakPolarHBondContact O-CA 3.44Å; P219-G223 PolarHBondContact O-N 3Å; G220-G223 PolarHBondContact O-N 3.46Å; I221-G223 PolarHBondContact O-N 2.7Å; G223-Q226 PolarHBondContact O-N 3.04Å; G223-A227 PolarHBondContact O-N 2.87Å
224	T	98.7	Very high	97.8	Very high	45 Å²	45	26.9 Å²	26.9	28%	0.276	16%	0.155	S	C	.	.	H	α-helix	trans	-66.4	-37.1	171.2	60.5	0	0	0	0	112.6	P47 Y51 G220 I221 I222 A227 A228	P47-T224 HydrophobicContact CB-CG2 3.93Å; Y51-T224 HydrophobicContact CD2-CG2 3.68Å; Y51-T224 HydrophobicContact CE2-CG2 3.4Å; Y51-T224 VanDerWaalsContact CE2-CG2 3.4Å; G220-T224 WeakPolarHBondContact O-CG2 3.3Å; G220-T224 PolarHBondContact O-N 2.96Å; G220-T224 PolarHBondContact O-OG1 3.13Å; I221-T224 PolarHBondContact O-N 2.83Å; I221-T224 PolarHBondContact O-OG1 2.81Å; I222-T224 PolarHBondContact O-N 3.2Å; T224-A227 PolarHBondContact O-N 3.42Å; T224-A228 PolarHBondContact O-N 2.86Å
225	M	98.7	Very high	98.1	Very high	47 Å²	47	26.1 Å²	26.1	23%	0.232	15%	0.15	C	C	.	.	H	α-helix	trans	-66	-39.4	173.7	-66.1	-179.4	67.1	0	0	111.4	M164 I221 I222 A227 A228 E229 F246	M164-M225 HydrophobicContact CE-CB 4Å; M164-M225 HydrophobicContact CE-CE 3.89Å; M164-M225 HydrophobicContact SD-CB 3.5Å; M164-M225 WeakPolarHBondContact SD-CB 3.23Å; I221-M225 HydrophobicContact CG2-SD 4.1Å; I221-M225 WeakPolarHBondContact O-CG 3.45Å; I221-M225 PolarHBondContact O-N 3.23Å; I222-M225 CarbonylContact O-C 3.42Å; I222-M225 WeakPolarHBondContact O-CB 3.31Å; I222-M225 PolarHBondContact O-N 3.18Å; I222-M225 VanDerWaalsContact O-N 3.12Å; M225-A227 VanDerWaalsContact C-N 3.35Å; M225-A227 PolarHBondContact O-N 3.4Å; M225-A228 WeakPolarHBondContact O-CB 3.32Å; M225-A228 PolarHBondContact O-N 2.8Å; M225-A228 VanDerWaalsContact O-N 3.13Å; M225-E229 PolarHBondContact O-N 3.16Å; M225-F246 HydrophobicContact CE-CD1 3.52Å; M225-F246 HydrophobicContact CE-CD2 4.02Å; M225-F246 HydrophobicContact CE-CE1 3.42Å; M225-F246 VanDerWaalsContact CE-CE1 3.42Å; M225-F246 HydrophobicContact CE-CE2 3.94Å; M225-F246 HydrophobicContact CE-CG 3.82Å; M225-F246 HydrophobicContact CE-CZ 3.65Å; M225-F246 HydrophobicContact SD-CD1 3.93Å; M225-F246 HydrophobicContact SD-CE1 3.38Å; M225-F246 WeakPolarHBondContact SD-CE1 3.32Å; M225-F246 HydrophobicContact SD-CZ 3.83Å
226	Q	98.9	Very high	98.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60	-44.9	174.4	-69.8	179.8	-74.5	0	0	111.2	V128 D129 C130 V153 M164 I222 G223 A228 E229 V230	V128-Q226 HydrophobicContact CG1-CB 3.89Å; V128-Q226 HydrophobicContact CG1-CG 4.31Å; D129-Q226 PolarHBondContact O-NE2 3.5Å; C130-Q226 PolarHBondContact SG-OE1 2.99Å; V153-Q226 HydrophobicContact CG1-CB 3.83Å; V153-Q226 HydrophobicContact CG1-CG 3.88Å; V153-Q226 PolarHBondContact O-NE2 3.11Å; V153-Q226 VanDerWaalsContact O-NE2 3.09Å; M164-Q226 HydrophobicContact CG-CG 4.08Å; M164-Q226 HydrophobicContact SD-CG 4.01Å; M164-Q226 PolarHBondContact SD-N 3.37Å; I222-Q226 HydrophobicContact CG2-CG 4.36Å; I222-Q226 WeakPolarHBondContact O-CG 3.47Å; I222-Q226 PolarHBondContact O-N 3.4Å; G223-Q226 PolarHBondContact O-N 3.04Å; Q226-A228 VanDerWaalsContact C-N 3.29Å; Q226-A228 PolarHBondContact O-N 2.92Å; Q226-E229 PolarHBondContact O-N 2.8Å; Q226-V230 WeakPolarHBondContact O-CG2 3.35Å; Q226-V230 PolarHBondContact O-N 2.85Å
227	A	98.9	Very high	98.2	Very high	2 Å²	2	24.5 Å²	24.5	2%	0.017	16%	0.159	C	C	.	.	H	α-helix	trans	-58.5	-41.3	173.8	0	0	0	0	0	112.2	L52 G223 T224 M225 V230 I231	L52-A227 HydrophobicContact CD2-CB 4.13Å; L52-A227 HydrophobicContact CG-CB 3.94Å; G223-A227 PolarHBondContact O-N 2.87Å; T224-A227 PolarHBondContact O-N 3.42Å; M225-A227 VanDerWaalsContact C-N 3.35Å; M225-A227 PolarHBondContact O-N 3.4Å; A227-V230 PolarHBondContact O-N 2.85Å; A227-I231 WeakPolarHBondContact O-CG1 3.21Å; A227-I231 PolarHBondContact O-N 2.81Å
228	A	98.6	Very high	98.1	Very high	45 Å²	45	23.8 Å²	23.8	37%	0.372	17%	0.167	S	C	.	.	H	α-helix	trans	-61.8	-43.7	175.9	0	0	0	0	0	112	T224 M225 Q226 V230 I231 K232	T224-A228 PolarHBondContact O-N 2.86Å; M225-A228 WeakPolarHBondContact O-CB 3.32Å; M225-A228 PolarHBondContact O-N 2.8Å; M225-A228 VanDerWaalsContact O-N 3.13Å; Q226-A228 VanDerWaalsContact C-N 3.29Å; Q226-A228 PolarHBondContact O-N 2.92Å; A228-V230 PolarHBondContact O-N 3.22Å; A228-I231 PolarHBondContact O-N 2.95Å; A228-K232 WeakPolarHBondContact O-CG 3.3Å; A228-K232 PolarHBondContact O-N 2.84Å
229	E	98.8	Very high	97.9	Very high	10 Å²	10	30.8 Å²	30.8	5%	0.047	20%	0.204	C	C	.	.	H	α-helix	trans	-61.9	-41.6	175.5	-63.9	-50.6	139.8	0	0	112.4	V153 M164 V166 M225 Q226 I231 K232 I233 V240 H241	V153-E229 HydrophobicContact CG1-CB 3.82Å; V153-E229 HydrophobicContact CG1-CG 4.34Å; V153-E229 HydrophobicContact CG2-CB 4.25Å; M164-E229 HydrophobicContact CE-CG 3.46Å; M164-E229 VanDerWaalsContact CE-CG 3.46Å; M164-E229 HydrophobicContact SD-CG 3.78Å; V166-E229 HydrophobicContact CG2-CB 4.04Å; V166-E229 HydrophobicContact CG2-CG 4.12Å; M225-E229 PolarHBondContact O-N 3.16Å; Q226-E229 PolarHBondContact O-N 2.8Å; E229-I231 PolarHBondContact O-N 2.8Å; E229-K232 PolarHBondContact O-N 2.9Å; E229-K232 VanDerWaalsContact OE1-CE 3.28Å; E229-K232 WeakPolarHBondContact OE1-CE 3.34Å; E229-K232 IonicContact OE1-NZ 2.74Å; E229-K232 PolarHBondContact OE1-NZ 2.88Å; E229-K232 WeakPolarHBondContact OE2-CE 3.25Å; E229-K232 IonicContact OE2-NZ 2.64Å; E229-K232 PolarHBondContact OE2-NZ 3.36Å; E229-I233 WeakPolarHBondContact O-CD1 3.5Å; E229-I233 WeakPolarHBondContact O-CG1 3.28Å; E229-I233 PolarHBondContact O-N 2.88Å; E229-V240 WeakPolarHBondContact OE2-CA 3.39Å; E229-H241 HydrophobicContact CG-CB 4.46Å; E229-H241 WeakPolarHBondContact OE1-CB 3.46Å; E229-H241 PolarHBondContact OE2-N 2.89Å
230	V	98.9	Very high	97.9	Very high	0 Å²	0	32 Å²	32	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.7	-45.5	176.1	172.3	0	0	0	0	111.2	V36 L52 V126 V128 V153 Q226 A227 A228 K232 I233 L234	V36-V230 HydrophobicContact CB-CG1 4.41Å; V36-V230 HydrophobicContact CG1-CG1 4.01Å; V36-V230 HydrophobicContact CG1-CG2 4.42Å; V36-V230 HydrophobicContact CG2-CG1 3.48Å; V36-V230 VanDerWaalsContact CG2-CG1 3.48Å; L52-V230 HydrophobicContact CD1-CB 4.4Å; L52-V230 HydrophobicContact CD1-CG1 4.14Å; L52-V230 HydrophobicContact CD1-CG2 4.44Å; L52-V230 HydrophobicContact CD2-CB 3.81Å; L52-V230 HydrophobicContact CD2-CG1 3.57Å; V126-V230 HydrophobicContact CG1-CG1 4.46Å; V126-V230 HydrophobicContact CG1-CG2 4.02Å; V128-V230 HydrophobicContact CG2-CG2 3.46Å; V128-V230 VanDerWaalsContact CG2-CG2 3.46Å; V153-V230 HydrophobicContact CB-CG2 4.43Å; V153-V230 HydrophobicContact CG2-CG2 3.91Å; Q226-V230 WeakPolarHBondContact O-CG2 3.35Å; Q226-V230 PolarHBondContact O-N 2.85Å; A227-V230 PolarHBondContact O-N 2.85Å; A228-V230 PolarHBondContact O-N 3.22Å; V230-K232 VanDerWaalsContact C-N 3.29Å; V230-K232 PolarHBondContact O-N 3.24Å; V230-I233 PolarHBondContact O-N 2.9Å; V230-L234 HydrophobicContact CG1-CD1 3.93Å; V230-L234 HydrophobicContact CG1-CG 4.26Å; V230-L234 WeakPolarHBondContact O-CG 3.11Å; V230-L234 PolarHBondContact O-N 3.03Å
231	I	98.6	Very high	97.8	Very high	35 Å²	35	32.6 Å²	32.6	18%	0.179	21%	0.208	C	C	.	.	H	α-helix	trans	-59.7	-42.7	177	-68.9	165.4	0	0	0	110.5	F23 L31 L52 A55 A227 A228 E229 L234 T235	F23-I231 HydrophobicContact CE2-CG2 4.17Å; L31-I231 HydrophobicContact CD2-CB 4.45Å; L31-I231 HydrophobicContact CD2-CG1 4.23Å; L31-I231 HydrophobicContact CD2-CG2 4.31Å; L52-I231 HydrophobicContact CD2-CG1 4.01Å; A55-I231 HydrophobicContact CB-CD1 3.83Å; A55-I231 HydrophobicContact CB-CG1 4.41Å; A227-I231 WeakPolarHBondContact O-CG1 3.21Å; A227-I231 PolarHBondContact O-N 2.81Å; A228-I231 PolarHBondContact O-N 2.95Å; E229-I231 PolarHBondContact O-N 2.8Å; I231-L234 PolarHBondContact O-N 3.01Å; I231-T235 HydrophobicContact CG2-CG2 4.49Å; I231-T235 WeakPolarHBondContact O-CB 3.37Å; I231-T235 WeakPolarHBondContact O-CG2 3.16Å; I231-T235 PolarHBondContact O-N 3.34Å; I231-T235 PolarHBondContact O-OG1 3Å
232	K	98.5	Very high	97.7	Very high	45 Å²	45	31.2 Å²	31.2	20%	0.196	20%	0.203	C	C	.	.	H	α-helix	trans	-62	-45	175.9	-68.2	-173.5	-70.4	177.4	0	112.1	A228 E229 V230 G236 V237 D239 V240	A228-K232 WeakPolarHBondContact O-CG 3.3Å; A228-K232 PolarHBondContact O-N 2.84Å; E229-K232 PolarHBondContact O-N 2.9Å; E229-K232 VanDerWaalsContact OE1-CE 3.28Å; E229-K232 WeakPolarHBondContact OE1-CE 3.34Å; E229-K232 IonicContact OE1-NZ 2.74Å; E229-K232 PolarHBondContact OE1-NZ 2.88Å; E229-K232 WeakPolarHBondContact OE2-CE 3.25Å; E229-K232 IonicContact OE2-NZ 2.64Å; E229-K232 PolarHBondContact OE2-NZ 3.36Å; V230-K232 VanDerWaalsContact C-N 3.29Å; V230-K232 PolarHBondContact O-N 3.24Å; K232-G236 VanDerWaalsContact O-CA 3.29Å; K232-G236 WeakPolarHBondContact O-CA 3.35Å; K232-G236 PolarHBondContact O-N 3.39Å; K232-V237 VanDerWaalsContact CB-O 3.31Å; K232-V237 WeakPolarHBondContact CB-O 3.27Å; K232-V237 HydrophobicContact CG-CG1 3.99Å; K232-V237 WeakPolarHBondContact CG-O 2.98Å; K232-D239 WeakPolarHBondContact CD-O 3.22Å; K232-D239 WeakPolarHBondContact CE-O 3.26Å; K232-D239 PolarHBondContact NZ-O 3.24Å; K232-V240 HydrophobicContact CB-CG2 3.95Å
233	I	98.5	Very high	97.6	Very high	10 Å²	10	32.3 Å²	32.3	5%	0.051	21%	0.214	C	C	.	.	H	α-helix	trans	-62.4	-45.8	178.2	-68.6	159.9	0	0	0	111.6	V126 P151 V153 V166 I172 E229 V230 V240	V126-I233 HydrophobicContact CG1-CD1 4.2Å; V126-I233 HydrophobicContact CG2-CB 4.34Å; V126-I233 HydrophobicContact CG2-CG2 3.48Å; V126-I233 VanDerWaalsContact CG2-CG2 3.48Å; P151-I233 HydrophobicContact CB-CD1 3.9Å; P151-I233 HydrophobicContact CB-CG1 4.49Å; P151-I233 HydrophobicContact CB-CG2 3.94Å; P151-I233 HydrophobicContact CG-CG2 3.73Å; V153-I233 HydrophobicContact CG2-CD1 3.52Å; V166-I233 HydrophobicContact CG1-CD1 3.98Å; V166-I233 HydrophobicContact CG2-CD1 4.29Å; I172-I233 HydrophobicContact CG1-CG2 4.3Å; E229-I233 WeakPolarHBondContact O-CD1 3.5Å; E229-I233 WeakPolarHBondContact O-CG1 3.28Å; E229-I233 PolarHBondContact O-N 2.88Å; V230-I233 PolarHBondContact O-N 2.9Å; I233-V240 HydrophobicContact CD1-CG1 4.1Å; I233-V240 HydrophobicContact CG1-CB 4.46Å; I233-V240 HydrophobicContact CG1-CG1 3.8Å; I233-V240 HydrophobicContact CG1-CG2 3.74Å
234	L	98.4	Very high	97.5	Very high	14 Å²	14	38.3 Å²	38.3	7%	0.073	24%	0.237	C	C	.	.	H	α-helix	trans	-68.8	-39.1	-178	-71	178.8	0	0	0	112.5	L31 V36 V57 V126 I172 V230 I231	L31-L234 HydrophobicContact CD2-CB 3.87Å; L31-L234 HydrophobicContact CD2-CD1 3.73Å; L31-L234 HydrophobicContact CD2-CG 4.45Å; V36-L234 HydrophobicContact CG2-CD1 3.84Å; V57-L234 HydrophobicContact CG1-CD1 4.45Å; V57-L234 HydrophobicContact CG2-CD1 4.02Å; V126-L234 HydrophobicContact CG2-CD2 3.94Å; V126-L234 HydrophobicContact CG2-CG 4.43Å; I172-L234 HydrophobicContact CD1-CD2 3.81Å; V230-L234 HydrophobicContact CG1-CD1 3.93Å; V230-L234 HydrophobicContact CG1-CG 4.26Å; V230-L234 WeakPolarHBondContact O-CG 3.11Å; V230-L234 PolarHBondContact O-N 3.03Å; I231-L234 PolarHBondContact O-N 3.01Å
235	T	97.7	Very high	97.4	Very high	8 Å²	8	37.1 Å²	37.1	5%	0.049	23%	0.228	C	C	.	.	H	α-helix	trans	-97.4	-25.4	-171.1	62.9	0	0	0	0	113.9	F23 G27 K30 L31 I231 V237	F23-T235 HydrophobicContact CD2-CG2 4.21Å; F23-T235 HydrophobicContact CE2-CG2 3.65Å; F23-T235 HydrophobicContact CZ-CG2 4.41Å; G27-T235 VanDerWaalsContact O-CG2 3.3Å; G27-T235 WeakPolarHBondContact O-CG2 3.45Å; K30-T235 HydrophobicContact CB-CG2 4.43Å; K30-T235 WeakPolarHBondContact CD-O 3.44Å; K30-T235 PolarHBondContact NZ-O 3.35Å; L31-T235 HydrophobicContact CD2-CG2 3.6Å; L31-T235 HydrophobicContact CG-CG2 3.59Å; I231-T235 HydrophobicContact CG2-CG2 4.49Å; I231-T235 WeakPolarHBondContact O-CB 3.37Å; I231-T235 WeakPolarHBondContact O-CG2 3.16Å; I231-T235 PolarHBondContact O-N 3.34Å; I231-T235 PolarHBondContact O-OG1 3Å; T235-V237 VanDerWaalsContact OG1-CG1 3.27Å; T235-V237 WeakPolarHBondContact OG1-CG1 3.29Å; T235-V237 PolarHBondContact OG1-N 2.68Å
236	G	95.9	Very high	97.4	Very high	63 Å²	63	36.1 Å²	36.1	65%	0.649	22%	0.223	S	C	*	.			trans	80.5	13.8	-170.6	0	0	0	0	0	113.8	K232	K232-G236 VanDerWaalsContact O-CA 3.29Å; K232-G236 WeakPolarHBondContact O-CA 3.35Å; K232-G236 PolarHBondContact O-N 3.39Å
237	V	95.7	Very high	97.4	Very high	34 Å²	34	38.9 Å²	38.9	21%	0.206	24%	0.237	C	C	.	.			trans	-77.3	136.2	177.3	74.2	0	0	0	0	111.2	Q22 K232 T235	Q22-V237 HydrophobicContact CB-CG2 3.7Å; Q22-V237 WeakPolarHBondContact O-CG2 3.48Å; K232-V237 VanDerWaalsContact CB-O 3.31Å; K232-V237 WeakPolarHBondContact CB-O 3.27Å; K232-V237 HydrophobicContact CG-CG1 3.99Å; K232-V237 WeakPolarHBondContact CG-O 2.98Å; T235-V237 VanDerWaalsContact OG1-CG1 3.27Å; T235-V237 WeakPolarHBondContact OG1-CG1 3.29Å; T235-V237 PolarHBondContact OG1-N 2.68Å
238	G	94.7	Very high	97.4	Very high	60 Å²	60	39.7 Å²	39.7	62%	0.619	24%	0.241	S	C	*	.	S	Bend	trans	59.5	-158.8	175.5	0	0	0	0	0	114.2
239	D	95.7	Very high	97.4	Very high	146 Å²	146	38.6 Å²	38.6	78%	0.781	23%	0.229	S	C	*	.			trans	-108.1	127.8	-179.1	-64.5	-59.3	0	0	0	111.3	K232	K232-D239 WeakPolarHBondContact CD-O 3.22Å; K232-D239 WeakPolarHBondContact CE-O 3.26Å; K232-D239 PolarHBondContact NZ-O 3.24Å
240	V	97.4	Very high	97.3	Very high	28 Å²	28	40.2 Å²	40.2	17%	0.17	24%	0.239	C	C	.	.			trans	-75.3	136.6	175.4	179.4	0	0	0	0	109.8	V166 K170 E229 K232 I233 T242	V166-V240 HydrophobicContact CB-CG1 3.85Å; V166-V240 HydrophobicContact CG1-CG1 3.97Å; V166-V240 HydrophobicContact CG2-CG1 3.57Å; K170-V240 HydrophobicContact CB-CB 4.35Å; K170-V240 HydrophobicContact CB-CG1 4.48Å; E229-V240 WeakPolarHBondContact OE2-CA 3.39Å; K232-V240 HydrophobicContact CB-CG2 3.95Å; I233-V240 HydrophobicContact CD1-CG1 4.1Å; I233-V240 HydrophobicContact CG1-CB 4.46Å; I233-V240 HydrophobicContact CG1-CG1 3.8Å; I233-V240 HydrophobicContact CG1-CG2 3.74Å; V240-T242 PolarHBondContact O-N 3.45Å
241	H	96.7	Very high	97.2	Very high	35 Å²	35	46.8 Å²	46.8	16%	0.162	27%	0.27	C	S	.	.			trans	-76.2	64.6	-179.2	-160.4	93.9	0	0	0	111.8	M164 V166 E229 R244 F246 S257	M164-H241 HydrophobicContact CE-CB 4.15Å; V166-H241 PolarHBondContact N-O 2.81Å; E229-H241 HydrophobicContact CG-CB 4.46Å; E229-H241 WeakPolarHBondContact OE1-CB 3.46Å; E229-H241 PolarHBondContact OE2-N 2.89Å; H241-R244 PolarHBondContact CD2-O 2.94Å; H241-R244 PolarHBondContact NE2-O 2.86Å; H241-F246 WeakPolarHBondContact NE2-CB 3.25Å; H241-F246 PolarHBondContact NE2-N 3.31Å; H241-S257 PolarHBondContact CE1-OG 2.64Å
242	T	96	Very high	97.2	Very high	29 Å²	29	53.7 Å²	53.7	18%	0.178	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-108.2	156	179.5	-166.5	0	0	0	0	111.3	V166 K170 A190 V240 R244	V166-T242 WeakPolarHBondContact O-CA 3.5Å; V166-T242 PolarHBondContact O-OG1 2.6Å; K170-T242 HydrophobicContact CB-CG2 3.45Å; K170-T242 VanDerWaalsContact CB-CG2 3.45Å; K170-T242 HydrophobicContact CD-CG2 4.05Å; K170-T242 HydrophobicContact CG-CG2 4.35Å; A190-T242 WeakPolarHBondContact CB-OG1 3.46Å; V240-T242 PolarHBondContact O-N 3.45Å; T242-R244 PolarHBondContact O-N 2.87Å
243	G	94.8	Very high	97.1	Very high	23 Å²	23	58.6 Å²	58.6	24%	0.237	32%	0.322	C	S	.	.	S	Bend	trans	63.4	10.4	-177.2	0	0	0	0	0	114.1	L260	G243-L260 WeakPolarHBondContact O-CB 3.05Å; G243-L260 PolarHBondContact O-N 3.49Å
244	R	96.9	Very high	97	Very high	126 Å²	126	61.5 Å²	61.5	48%	0.475	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	144.4	179.1	-50.8	-179.2	83.6	136.7	3.4	109.3	T165 H241 T242 S257 V258	T165-R244 WeakPolarHBondContact CB-O 3.42Å; T165-R244 PolarHBondContact OG1-O 3.16Å; H241-R244 PolarHBondContact CD2-O 2.94Å; H241-R244 PolarHBondContact NE2-O 2.86Å; T242-R244 PolarHBondContact O-N 2.87Å; R244-S257 PolarHBondContact NE-OG 3.39Å; R244-V258 CarbonylContact C-O 3.59Å; R244-V258 WeakPolarHBondContact CA-O 3.39Å
245	L	98	Very high	97	Very high	19 Å²	19	65.4 Å²	65.4	10%	0.099	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	117.4	175	-176	64.4	0	0	0	109.4	Q163 T165 L247 S257 V258 L260	Q163-L245 HydrophobicContact CB-CD1 4.09Å; T165-L245 HydrophobicContact CG2-CD1 3.97Å; L245-L247 HydrophobicContact CD2-CD2 3.75Å; L245-L247 HydrophobicContact CD2-CG 4.43Å; L245-L247 HydrophobicContact CG-CD2 3.86Å; L245-L247 HydrophobicContact CG-CG 4.32Å; L245-S257 WeakPolarHBondContact O-CA 3.2Å; L245-V258 PolarHBondContact N-O 2.73Å; L245-V258 PolarHBondContact O-N 3.22Å; L245-L260 HydrophobicContact CB-CD2 3.86Å; L245-L260 HydrophobicContact CB-CG 4.32Å
246	F	98.5	Very high	97	Very high	27 Å²	27	72.9 Å²	72.9	12%	0.118	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	132.3	168.1	178.1	-105	0	0	0	108.7	Q163 M164 I222 M225 H241 L248 T255 R256	Q163-F246 CarbonylContact C-O 3.5Å; Q163-F246 WeakPolarHBondContact CA-O 3.25Å; Q163-F246 VanDerWaalsContact CB-O 3.25Å; Q163-F246 WeakPolarHBondContact CB-O 3.45Å; M164-F246 HydrophobicContact CB-CB 4.4Å; M164-F246 HydrophobicContact CB-CD1 4.49Å; M164-F246 PolarHBondContact N-O 3.34Å; M164-F246 WeakPolarHBondContact O-CB 3.39Å; M164-F246 PolarHBondContact O-N 3.43Å; I222-F246 HydrophobicContact CD1-CD1 4.23Å; I222-F246 HydrophobicContact CD1-CE1 4.15Å; M225-F246 HydrophobicContact CE-CD1 3.52Å; M225-F246 HydrophobicContact CE-CD2 4.02Å; M225-F246 HydrophobicContact CE-CE1 3.42Å; M225-F246 VanDerWaalsContact CE-CE1 3.42Å; M225-F246 HydrophobicContact CE-CE2 3.94Å; M225-F246 HydrophobicContact CE-CG 3.82Å; M225-F246 HydrophobicContact CE-CZ 3.65Å; M225-F246 HydrophobicContact SD-CD1 3.93Å; M225-F246 HydrophobicContact SD-CE1 3.38Å; M225-F246 WeakPolarHBondContact SD-CE1 3.32Å; M225-F246 HydrophobicContact SD-CZ 3.83Å; H241-F246 WeakPolarHBondContact NE2-CB 3.25Å; H241-F246 PolarHBondContact NE2-N 3.31Å; F246-L248 HydrophobicContact CE1-CB 3.71Å; F246-L248 HydrophobicContact CZ-CB 4.13Å; F246-T255 HydrophobicContact CE2-CG2 4.05Å; F246-T255 HydrophobicContact CZ-CG2 3.88Å; F246-R256 CarbonylContact C-O 3.55Å; F246-R256 WeakPolarHBondContact CA-O 3.22Å
247	L	98.5	Very high	97.1	Very high	58 Å²	58	72.4 Å²	72.4	30%	0.304	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	127.3	176	-60.6	174.9	0	0	0	108.1	Q163 L245 T255 R256 V258	Q163-L247 HydrophobicContact CB-CD2 3.85Å; L245-L247 HydrophobicContact CD2-CD2 3.75Å; L245-L247 HydrophobicContact CD2-CG 4.43Å; L245-L247 HydrophobicContact CG-CD2 3.86Å; L245-L247 HydrophobicContact CG-CG 4.32Å; L247-T255 CarbonylContact O-C 3.55Å; L247-T255 VanDerWaalsContact O-CA 3.28Å; L247-T255 WeakPolarHBondContact O-CA 3.3Å; L247-R256 HydrophobicContact CB-CB 4.3Å; L247-R256 PolarHBondContact N-O 3.02Å; L247-R256 PolarHBondContact O-N 3.07Å; L247-V258 HydrophobicContact CD1-CG2 3.85Å
248	L	98.5	Very high	97.2	Very high	19 Å²	19	74.2 Å²	74.2	10%	0.099	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	126.6	174.1	173.7	67.4	0	0	0	108.3	E161 G162 I221 I222 F246 V250 T255	E161-L248 CarbonylContact C-O 3.54Å; E161-L248 WeakPolarHBondContact CA-O 3.29Å; G162-L248 PolarHBondContact N-O 3.37Å; G162-L248 PolarHBondContact O-N 3.3Å; I221-L248 HydrophobicContact CB-CD2 4.09Å; I221-L248 HydrophobicContact CD1-CD2 3.97Å; I221-L248 HydrophobicContact CG2-CD2 3.71Å; I222-L248 HydrophobicContact CD1-CD2 4.45Å; F246-L248 HydrophobicContact CE1-CB 3.71Å; F246-L248 HydrophobicContact CZ-CB 4.13Å; L248-V250 HydrophobicContact CD1-CG2 4.11Å; L248-V250 HydrophobicContact CD2-CG2 3.92Å; L248-V250 HydrophobicContact CG-CG2 3.85Å; L248-T255 HydrophobicContact CD1-CG2 3.91Å
249	D	98.1	Very high	97.3	Very high	21 Å²	21	78.5 Å²	78.5	11%	0.112	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	103.1	171.8	174.1	-15	0	0	0	106.9	E251 R252 N253 L254	D249-E251 WeakPolarHBondContact OD1-CB 3.49Å; D249-E251 PolarHBondContact OD1-N 3.21Å; D249-E251 VanDerWaalsContact OD1-N 3.11Å; D249-R252 PolarHBondContact OD1-N 3.32Å; D249-R252 VanDerWaalsContact OD2-CD 3.31Å; D249-R252 WeakPolarHBondContact OD2-CD 3.25Å; D249-R252 WeakPolarHBondContact OD2-CG 3.33Å; D249-N253 CarbonylContact O-C 3.57Å; D249-N253 WeakPolarHBondContact O-CA 3.5Å; D249-N253 PolarHBondContact O-N 3.1Å; D249-L254 HydrophobicContact CB-CB 4.33Å; D249-L254 PolarHBondContact N-O 2.87Å; D249-L254 PolarHBondContact O-N 3.32Å
250	V	97.8	Very high	97.4	Very high	44 Å²	44	72.4 Å²	72.4	27%	0.267	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-27.5	-178.2	176.8	0	0	0	0	111.4	L160 F215 V218 L248 N253	L160-V250 WeakPolarHBondContact O-CB 3.35Å; L160-V250 PolarHBondContact O-N 3.43Å; F215-V250 HydrophobicContact CD1-CG1 4.45Å; V218-V250 HydrophobicContact CG2-CB 4.35Å; V218-V250 HydrophobicContact CG2-CG2 3.78Å; L248-V250 HydrophobicContact CD1-CG2 4.11Å; L248-V250 HydrophobicContact CD2-CG2 3.92Å; L248-V250 HydrophobicContact CG-CG2 3.85Å; V250-N253 PolarHBondContact O-N 3.25Å
251	E	96.9	Very high	97.2	Very high	139 Å²	139	77.9 Å²	77.9	65%	0.65	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-45.2	178	-174.5	177.9	-161.2	0	0	110.9	L160 D249	L160-E251 HydrophobicContact CB-CB 4.08Å; L160-E251 HydrophobicContact CD2-CB 4.06Å; L160-E251 HydrophobicContact CG-CB 4.48Å; D249-E251 WeakPolarHBondContact OD1-CB 3.49Å; D249-E251 PolarHBondContact OD1-N 3.21Å; D249-E251 VanDerWaalsContact OD1-N 3.11Å
252	R	97.1	Very high	97.1	Very high	180 Å²	180	82 Å²	82	68%	0.679	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-2.2	179.5	-59.3	-175.6	175.7	156.6	-3.9	113.7	D249 L254	D249-R252 PolarHBondContact OD1-N 3.32Å; D249-R252 VanDerWaalsContact OD2-CD 3.31Å; D249-R252 WeakPolarHBondContact OD2-CD 3.25Å; D249-R252 WeakPolarHBondContact OD2-CG 3.33Å; R252-L254 HydrophobicContact CB-CD1 3.81Å; R252-L254 HydrophobicContact CB-CG 3.93Å; R252-L254 PolarHBondContact O-N 3.24Å
253	N	96.4	Very high	97.1	Very high	147 Å²	147	81.7 Å²	81.7	79%	0.786	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	49.8	-173.4	-167.1	23.8	0	0	0	112.4	D249 V250	D249-N253 CarbonylContact O-C 3.57Å; D249-N253 WeakPolarHBondContact O-CA 3.5Å; D249-N253 PolarHBondContact O-N 3.1Å; V250-N253 PolarHBondContact O-N 3.25Å
254	L	97.7	Very high	97	Very high	72 Å²	72	83 Å²	83	38%	0.377	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	138.7	-177.8	-66.9	175	0	0	0	111.7	D249 R252	D249-L254 HydrophobicContact CB-CB 4.33Å; D249-L254 PolarHBondContact N-O 2.87Å; D249-L254 PolarHBondContact O-N 3.32Å; R252-L254 HydrophobicContact CB-CD1 3.81Å; R252-L254 HydrophobicContact CB-CG 3.93Å; R252-L254 PolarHBondContact O-N 3.24Å
255	T	98.1	Very high	96.7	Very high	96 Å²	96	81.4 Å²	81.4	59%	0.589	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.8	136.5	166.7	60.3	0	0	0	0	110.3	F246 L247 L248	F246-T255 HydrophobicContact CE2-CG2 4.05Å; F246-T255 HydrophobicContact CZ-CG2 3.88Å; L247-T255 CarbonylContact O-C 3.55Å; L247-T255 VanDerWaalsContact O-CA 3.28Å; L247-T255 WeakPolarHBondContact O-CA 3.3Å; L248-T255 HydrophobicContact CD1-CG2 3.91Å
256	R	97.5	Very high	96.4	Very high	165 Å²	165	85.6 Å²	85.6	62%	0.623	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.4	148.3	175.1	-64.1	-178.3	177.2	180	-0.5	110.8	F246 L247	F246-R256 CarbonylContact C-O 3.55Å; F246-R256 WeakPolarHBondContact CA-O 3.22Å; L247-R256 HydrophobicContact CB-CB 4.3Å; L247-R256 PolarHBondContact N-O 3.02Å; L247-R256 PolarHBondContact O-N 3.07Å
257	S	97.9	Very high	96.2	Very high	52 Å²	52	84.5 Å²	84.5	36%	0.364	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	103.3	171.3	179.4	0	0	0	0	109.2	H241 R244 L245	H241-S257 PolarHBondContact CE1-OG 2.64Å; R244-S257 PolarHBondContact NE-OG 3.39Å; L245-S257 WeakPolarHBondContact O-CA 3.2Å
258	V	97.6	Very high	95.8	Very high	72 Å²	72	85.6 Å²	85.6	44%	0.436	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	125.2	-176.2	-178.1	0	0	0	0	109.1	R244 L245 L247 L260	R244-V258 CarbonylContact C-O 3.59Å; R244-V258 WeakPolarHBondContact CA-O 3.39Å; L245-V258 PolarHBondContact N-O 2.73Å; L245-V258 PolarHBondContact O-N 3.22Å; L247-V258 HydrophobicContact CD1-CG2 3.85Å; V258-L260 PolarHBondContact O-N 3.47Å
259	K	97.7	Very high	95.4	Very high	151 Å²	151	85 Å²	85	66%	0.657	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64	127.8	174.2	-176.2	177.5	177.3	-178.4	0	109.5
260	L	97	Very high	95	Very high	18 Å²	18	84.1 Å²	84.1	9%	0.094	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-82.4	161.3	175.1	-64.1	177.3	0	0	0	110.5	Y167 P191 L196 G243 L245 V258	Y167-L260 HydrophobicContact CE1-CD1 4.41Å; P191-L260 HydrophobicContact CG-CB 4.02Å; P191-L260 HydrophobicContact CG-CD1 4.12Å; L196-L260 HydrophobicContact CD1-CD1 3.99Å; L196-L260 HydrophobicContact CD1-CD2 3.76Å; L196-L260 HydrophobicContact CD1-CG 4.47Å; L196-L260 HydrophobicContact CD2-CB 4.39Å; L196-L260 HydrophobicContact CD2-CD2 3.82Å; L196-L260 HydrophobicContact CD2-CG 4.48Å; L196-L260 HydrophobicContact CG-CD2 4.47Å; G243-L260 WeakPolarHBondContact O-CB 3.05Å; G243-L260 PolarHBondContact O-N 3.49Å; L245-L260 HydrophobicContact CB-CD2 3.86Å; L245-L260 HydrophobicContact CB-CG 4.32Å; V258-L260 PolarHBondContact O-N 3.47Å
261	R	94.4	Very high	94.6	Very high	142 Å²	142	82 Å²	82	54%	0.536	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-66.3	159.2	169.1	58.8	177.5	48.9	174.5	-9.4	111.5	P191 L196	P191-R261 WeakPolarHBondContact CB-O 3.19Å; P191-R261 VanDerWaalsContact CG-O 3.22Å; P191-R261 WeakPolarHBondContact CG-O 3.47Å; L196-R261 HydrophobicContact CD2-CG 3.91Å
262	E	94.7	Very high	93.8	Very high	123 Å²	123	79.7 Å²	79.7	58%	0.575	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-64.8	158.9	169.7	-61.7	-53	143.5	0	0	111.8	R264	E262-R264 PolarHBondContact O-N 2.95Å
263	P	94.2	Very high	92.6	Very high	21 Å²	21	76.8 Å²	76.8	14%	0.136	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-52.3	132.3	173.3	-18.4	24.2	0	0	0	111.7	R189 P265	R189-P263 HydrophobicContact CG-CB 4.44Å; R189-P263 HydrophobicContact CG-CG 3.71Å; P263-P265 WeakPolarHBondContact O-CD 3.49Å
264	R	93.5	Very high	91.1	Very high	52 Å²	52	71.2 Å²	71.2	20%	0.196	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-73.4	125.8	178.3	-84.3	-179.9	58.7	-155.6	6.1	111.1	C195 P198 E262 D266 C267	C195-R264 HydrophobicContact CB-CG 4.43Å; C195-R264 PolarHBondContact SG-N 2.92Å; C195-R264 VanDerWaalsContact SG-N 3.42Å; P198-R264 VanDerWaalsContact CB-NH1 3.26Å; E262-R264 PolarHBondContact O-N 2.95Å; R264-D266 WeakPolarHBondContact CB-OD1 3.41Å; R264-D266 IonicContact CZ-OD1 2.76Å; R264-D266 IonicContact CZ-OD2 2.65Å; R264-D266 IonicContact NE-OD1 3.91Å; R264-D266 PolarHBondContact NE-OD1 2.53Å; R264-D266 IonicContact NE-OD2 2.68Å; R264-D266 IonicContact NH2-OD1 3.98Å; R264-D266 PolarHBondContact NH2-OD1 3.44Å; R264-D266 IonicContact NH2-OD2 3.32Å; R264-D266 PolarHBondContact NH2-OD2 2.98Å; R264-D266 PolarHBondContact O-N 3.26Å; R264-C267 HydrophobicContact CB-CB 3.95Å; R264-C267 WeakPolarHBondContact O-CB 3.3Å; R264-C267 PolarHBondContact O-N 2.99Å
265	P	91.2	Very high	89.3	Confident	92 Å²	92	68.3 Å²	68.3	60%	0.597	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-33.4	176.3	-24.3	34.4	0	0	0	113.3	P263 G271 N272	P263-P265 WeakPolarHBondContact O-CD 3.49Å; P265-G271 VanDerWaalsContact O-CA 3.3Å; P265-G271 WeakPolarHBondContact O-CA 3.43Å; P265-N272 PolarHBondContact O-N 3.38Å
266	D	92	Very high	87.2	Confident	107 Å²	107	70.5 Å²	70.5	57%	0.572	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	10.8	-178.6	70.3	-33.5	0	0	0	113.6	R264	R264-D266 WeakPolarHBondContact CB-OD1 3.41Å; R264-D266 IonicContact CZ-OD1 2.76Å; R264-D266 IonicContact CZ-OD2 2.65Å; R264-D266 IonicContact NE-OD1 3.91Å; R264-D266 PolarHBondContact NE-OD1 2.53Å; R264-D266 IonicContact NE-OD2 2.68Å; R264-D266 IonicContact NH2-OD1 3.98Å; R264-D266 PolarHBondContact NH2-OD1 3.44Å; R264-D266 IonicContact NH2-OD2 3.32Å; R264-D266 PolarHBondContact NH2-OD2 2.98Å; R264-D266 PolarHBondContact O-N 3.26Å
267	C	93.4	Very high	84.9	Confident	3 Å²	3	68.5 Å²	68.5	2%	0.02	36%	0.356	C	S	.	.			trans	-64	128.5	178.7	-176.2	0	0	0	0	110.5	R264 V269 G271	R264-C267 HydrophobicContact CB-CB 3.95Å; R264-C267 WeakPolarHBondContact O-CB 3.3Å; R264-C267 PolarHBondContact O-N 2.99Å; C267-V269 PolarHBondContact O-N 3.24Å; C267-V269 VanDerWaalsContact O-N 3.1Å; C267-G271 WeakPolarHBondContact O-CA 3.48Å; C267-G271 PolarHBondContact O-N 3.24Å
268	P	89.3	Confident	83	Confident	82 Å²	82	66.8 Å²	66.8	53%	0.532	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-10.4	-179.9	28.6	-36.1	0	0	0	113.7	R194 A274	R194-P268 HydrophobicContact CG-CG 4.07Å; P268-A274 VanDerWaalsContact O-CB 3.3Å; P268-A274 WeakPolarHBondContact O-CB 3.31Å
269	V	90.7	Very high	81.1	Confident	5 Å²	5	68.9 Å²	68.9	3%	0.03	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-52.9	-178	174.3	0	0	0	0	111.6	E142 A145 R194 C267	E142-V269 HydrophobicContact CB-CG1 4.27Å; E142-V269 HydrophobicContact CB-CG2 4.35Å; E142-V269 HydrophobicContact CG-CG1 4.24Å; E142-V269 HydrophobicContact CG-CG2 4.17Å; A145-V269 HydrophobicContact CB-CG1 3.46Å; A145-V269 VanDerWaalsContact CB-CG1 3.46Å; R194-V269 HydrophobicContact CB-CB 4.42Å; R194-V269 HydrophobicContact CB-CG2 4.03Å; R194-V269 HydrophobicContact CG-CG2 4.06Å; C267-V269 PolarHBondContact O-N 3.24Å; C267-V269 VanDerWaalsContact O-N 3.1Å
270	C	91	Very high	79.5	Confident	3 Å²	3	69.3 Å²	69.3	2%	0.02	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116	6.4	-174.9	73.5	0	0	0	0	113.5	L168 N183 R189 C192	L168-C270 HydrophobicContact CD2-CB 4.11Å; N183-C270 PolarHBondContact OD1-O 3.04Å; R189-C270 PolarHBondContact NH1-O 2.9Å; R189-C270 PolarHBondContact NH2-O 3.46Å; C192-C270 HydrophobicContact CB-CB 4.23Å
271	G	88.7	Confident	78.2	Confident	1 Å²	1	76.9 Å²	76.9	1%	0.01	39%	0.393	C	S	.	.	S	Bend	trans	-66.1	173.8	179.8	0	0	0	0	0	113	P265 C267 D273 A274	P265-G271 VanDerWaalsContact O-CA 3.3Å; P265-G271 WeakPolarHBondContact O-CA 3.43Å; C267-G271 WeakPolarHBondContact O-CA 3.48Å; C267-G271 PolarHBondContact O-N 3.24Å; G271-D273 VanDerWaalsContact C-N 3.25Å; G271-D273 PolarHBondContact O-N 3.24Å; G271-A274 PolarHBondContact O-N 2.99Å
272	N	80.1	Confident	77.4	Confident	89 Å²	89	74.7 Å²	74.7	48%	0.476	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-31.7	-173.6	-69.5	-15.1	0	0	0	113.6	P265	P265-N272 PolarHBondContact O-N 3.38Å
273	D	72.1	Confident	77	Confident	120 Å²	120	69.2 Å²	69.2	64%	0.642	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-14.5	-178.3	-59.9	-43.6	0	0	0	113.6	G271	G271-D273 VanDerWaalsContact C-N 3.25Å; G271-D273 PolarHBondContact O-N 3.24Å
274	A	64.6	Low	76.7	Confident	29 Å²	29	70.5 Å²	70.5	24%	0.24	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-41.4	-174.7	0	0	0	0	0	112.7	P268 G271	P268-A274 VanDerWaalsContact O-CB 3.3Å; P268-A274 WeakPolarHBondContact O-CB 3.31Å; G271-A274 PolarHBondContact O-N 2.99Å
275	M	59.3	Low	76.4	Confident	12 Å²	12	71 Å²	71	6%	0.059	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-83.2	-20.6	-169.2	-73.2	-114.2	59.7	0	0	114.2	A145 V146 P149 S182 N277 S278	A145-M275 VanDerWaalsContact C-CE 3.43Å; A145-M275 HydrophobicContact CB-SD 4.38Å; A145-M275 WeakPolarHBondContact O-CE 3.36Å; V146-M275 VanDerWaalsContact CA-CE 3.44Å; V146-M275 HydrophobicContact CB-CE 4.33Å; V146-M275 HydrophobicContact CG1-CE 4.3Å; P149-M275 HydrophobicContact CG-SD 3.65Å; S182-M275 WeakPolarHBondContact O-CB 3.38Å; S182-M275 WeakPolarHBondContact O-CG 3.43Å; M275-N277 PolarHBondContact O-N 2.86Å; M275-S278 WeakPolarHBondContact CE-OG 3.33Å; M275-S278 WeakPolarHBondContact O-CB 3.42Å; M275-S278 PolarHBondContact O-OG 3.29Å
276	K	54.4	Low	76.2	Confident	141 Å²	141	66.9 Å²	66.9	61%	0.613	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-63.8	-20.3	179.4	-72.6	179.1	-177.8	169.6	0	114	S182	S182-K276 VanDerWaalsContact OG-CG 3.3Å; S182-K276 WeakPolarHBondContact OG-CG 3.35Å
277	N	48.6	Very low	75.7	Confident	124 Å²	124	64.8 Å²	64.8	66%	0.663	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-116.5	20.9	-171.2	-63.4	-31.6	0	0	0	113.4	M275	M275-N277 PolarHBondContact O-N 2.86Å
278	S	58.7	Low	75	Confident	16 Å²	16	71.5 Å²	71.5	11%	0.112	38%	0.384	C	S	.	.			trans	-99.2	-27.5	-151.8	63	0	0	0	0	117.5	M275 D280	M275-S278 WeakPolarHBondContact CE-OG 3.33Å; M275-S278 WeakPolarHBondContact O-CB 3.42Å; M275-S278 PolarHBondContact O-OG 3.29Å; S278-D280 VanDerWaalsContact C-N 3.33Å; S278-D280 PolarHBondContact O-N 3.45Å
279	V	56.8	Low	74.6	Confident	116 Å²	116	71.6 Å²	71.6	70%	0.703	38%	0.376	S	S	*	.	S	Bend	trans	-68.9	-33.1	-172	-175	0	0	0	0	112.4
280	D	64.9	Low	74	Confident	160 Å²	160	71.8 Å²	71.8	86%	0.856	38%	0.378	S	S	*	.	S	Bend	trans	-102.6	-2.1	-176.6	-60.6	-38.1	0	0	0	113.9	S278	S278-D280 VanDerWaalsContact C-N 3.33Å; S278-D280 PolarHBondContact O-N 3.45Å
281	R	69.3	Low	73.3	Confident	177 Å²	177	74.2 Å²	74.2	67%	0.668	40%	0.403	S	S	*	.	S	Bend	trans	-84.7	129.2	179.8	-169.5	-178.9	177.9	175.4	0.1	109.7	L283	R281-L283 PolarHBondContact O-N 3.36Å
282	P	78.5	Confident	72.5	Confident	95 Å²	95	74.7 Å²	74.7	62%	0.617	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-60.2	136.7	171	25.6	-33.3	0	0	0	109.7
283	L	85.9	Confident	72	Confident	8 Å²	8	74.5 Å²	74.5	4%	0.042	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-60.4	153.5	175.7	-69.6	-179.6	0	0	0	110.9	H114 A117 V118 L139 E142 A143 V146 R281 N285	H114-L283 HydrophobicContact CB-CB 3.88Å; A117-L283 HydrophobicContact CB-CD1 3.87Å; V118-L283 HydrophobicContact CG2-CD1 3.57Å; V118-L283 HydrophobicContact CG2-CD2 4.09Å; V118-L283 HydrophobicContact CG2-CG 3.69Å; L139-L283 HydrophobicContact CD1-CB 4.39Å; L139-L283 HydrophobicContact CD1-CD1 3.78Å; E142-L283 HydrophobicContact CB-CD2 4.25Å; E142-L283 HydrophobicContact CG-CD2 3.71Å; A143-L283 HydrophobicContact CB-CD1 3.83Å; V146-L283 HydrophobicContact CG2-CD2 3.72Å; R281-L283 PolarHBondContact O-N 3.36Å; L283-N285 PolarHBondContact O-N 2.98Å
284	T	86.7	Confident	72.2	Confident	48 Å²	48	70.4 Å²	70.4	29%	0.294	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-59.5	131.4	172.3	-52.3	0	0	0	0	110.8	E142 Y286 F289	E142-T284 PolarHBondContact OE1-N 3.42Å; E142-T284 PolarHBondContact OE1-OG1 2.9Å; E142-T284 WeakPolarHBondContact OE2-CB 3.5Å; E142-T284 PolarHBondContact OE2-OG1 3.16Å; T284-Y286 HydrophobicContact CG2-CD1 4.37Å; T284-Y286 HydrophobicContact CG2-CE1 4.12Å; T284-Y286 HydrophobicContact CG2-CE2 4.34Å; T284-Y286 WeakPolarHBondContact O-CD2 3.38Å; T284-Y286 PolarHBondContact O-N 3.28Å; T284-F289 HydrophobicContact CG2-CB 3.96Å; T284-F289 HydrophobicContact CG2-CG 4.19Å
285	N	87.6	Confident	72.7	Confident	62 Å²	62	70.6 Å²	70.6	33%	0.332	39%	0.39	S	S	.	.			trans	-72.1	95.7	168.4	-176.2	-27	0	0	0	109.5	L283 V287 L288 F289	L283-N285 PolarHBondContact O-N 2.98Å; N285-V287 VanDerWaalsContact C-N 3.3Å; N285-V287 PolarHBondContact O-N 3.11Å; N285-V287 WeakPolarHBondContact OD1-CB 3.34Å; N285-V287 PolarHBondContact OD1-N 2.68Å; N285-L288 HydrophobicContact CB-CB 4.41Å; N285-L288 PolarHBondContact O-N 3.28Å; N285-L288 PolarHBondContact OD1-N 2.94Å; N285-F289 WeakPolarHBondContact O-CB 3.4Å; N285-F289 PolarHBondContact O-N 3.46Å
286	Y	87	Confident	73	Confident	7 Å²	7	71.3 Å²	71.3	3%	0.027	39%	0.394	C	S	.	.	H	α-helix	trans	-72.5	-19.2	-173.6	-81.9	-70	0	0	0	115.3	A135 Y138 L139 E142 T284 F289 C290	A135-Y286 WeakPolarHBondContact O-CB 3.36Å; Y138-Y286 AromaticContact CD1-CE1 4Å; Y138-Y286 HydrophobicContact CD1-CE1 4Å; Y138-Y286 HydrophobicContact CD2-CD1 4.44Å; Y138-Y286 AromaticContact CG-CD1 3.88Å; Y138-Y286 HydrophobicContact CG-CD1 3.88Å; Y138-Y286 AromaticContact CG-CE1 3.82Å; Y138-Y286 HydrophobicContact CG-CE1 3.82Å; L139-Y286 VanDerWaalsContact CA-CD2 3.45Å; L139-Y286 HydrophobicContact CB-CD2 3.87Å; L139-Y286 HydrophobicContact CD1-CD2 4.33Å; E142-Y286 HydrophobicContact CB-CE2 4Å; E142-Y286 WeakPolarHBondContact OE2-CE2 3.34Å; E142-Y286 PolarHBondContact OE2-OH 2.95Å; T284-Y286 HydrophobicContact CG2-CD1 4.37Å; T284-Y286 HydrophobicContact CG2-CE1 4.12Å; T284-Y286 HydrophobicContact CG2-CE2 4.34Å; T284-Y286 WeakPolarHBondContact O-CD2 3.38Å; T284-Y286 PolarHBondContact O-N 3.28Å; Y286-F289 HydrophobicContact CD1-CB 4.2Å; Y286-F289 AromaticContact CD1-CD1 3.57Å; Y286-F289 HydrophobicContact CD1-CD1 3.57Å; Y286-F289 HydrophobicContact CD1-CE1 4.42Å; Y286-F289 HydrophobicContact CD1-CG 4.2Å; Y286-F289 AromaticContact CE1-CD1 3.62Å; Y286-F289 HydrophobicContact CE1-CD1 3.62Å; Y286-F289 HydrophobicContact CE1-CE1 4.12Å; Y286-F289 HydrophobicContact CE1-CG 4.31Å; Y286-C290 WeakPolarHBondContact O-CB 3.44Å; Y286-C290 PolarHBondContact O-N 3.42Å; Y286-C290 PolarHBondContact O-SG 3.3Å
287	V	81.4	Confident	73.7	Confident	63 Å²	63	69.9 Å²	69.9	38%	0.382	39%	0.387	S	S	.	.	H	α-helix	trans	-65.8	-49.5	171.5	-179.2	0	0	0	0	109.2	A135 N285 G291 T292	A135-V287 HydrophobicContact CB-CG2 4.41Å; N285-V287 VanDerWaalsContact C-N 3.3Å; N285-V287 PolarHBondContact O-N 3.11Å; N285-V287 WeakPolarHBondContact OD1-CB 3.34Å; N285-V287 PolarHBondContact OD1-N 2.68Å; V287-G291 WeakPolarHBondContact O-CA 3.29Å; V287-G291 PolarHBondContact O-N 3.19Å; V287-T292 WeakPolarHBondContact CG1-O 3.33Å
288	L	80.4	Confident	74.5	Confident	144 Å²	144	66.9 Å²	66.9	75%	0.754	38%	0.375	S	S	*	.	H	α-helix	trans	-67.7	-41.3	176.8	-173.3	65.5	0	0	0	111.7	N285 G291	N285-L288 HydrophobicContact CB-CB 4.41Å; N285-L288 PolarHBondContact O-N 3.28Å; N285-L288 PolarHBondContact OD1-N 2.94Å; L288-G291 PolarHBondContact O-N 2.72Å
289	F	80	Confident	75	Confident	83 Å²	83	72.8 Å²	72.8	36%	0.364	40%	0.395	S	S	.	.	H	α-helix	trans	-67.2	-41.6	-178.1	177	-99.8	0	0	0	113.2	R194 P200 T284 N285 Y286	R194-F289 VanDerWaalsContact CZ-CZ 3.5Å; P200-F289 HydrophobicContact CG-CD1 3.69Å; P200-F289 HydrophobicContact CG-CE1 3.13Å; P200-F289 HydrophobicContact CG-CZ 3.88Å; T284-F289 HydrophobicContact CG2-CB 3.96Å; T284-F289 HydrophobicContact CG2-CG 4.19Å; N285-F289 WeakPolarHBondContact O-CB 3.4Å; N285-F289 PolarHBondContact O-N 3.46Å; Y286-F289 HydrophobicContact CD1-CB 4.2Å; Y286-F289 AromaticContact CD1-CD1 3.57Å; Y286-F289 HydrophobicContact CD1-CD1 3.57Å; Y286-F289 HydrophobicContact CD1-CE1 4.42Å; Y286-F289 HydrophobicContact CD1-CG 4.2Å; Y286-F289 AromaticContact CE1-CD1 3.62Å; Y286-F289 HydrophobicContact CE1-CD1 3.62Å; Y286-F289 HydrophobicContact CE1-CE1 4.12Å; Y286-F289 HydrophobicContact CE1-CG 4.31Å
290	C	78.7	Confident	76.2	Confident	10 Å²	10	74 Å²	74	7%	0.068	40%	0.397	C	S	.	.	H	α-helix	trans	-82.5	-21	177.9	-64	0	0	0	0	112.7	P200 Y286 T292	P200-C290 HydrophobicContact CB-CB 4.26Å; P200-C290 HydrophobicContact CG-CB 4.39Å; Y286-C290 WeakPolarHBondContact O-CB 3.44Å; Y286-C290 PolarHBondContact O-N 3.42Å; Y286-C290 PolarHBondContact O-SG 3.3Å; C290-T292 HydrophobicContact CB-CG2 4.2Å; C290-T292 VanDerWaalsContact CB-OG1 3.26Å; C290-T292 WeakPolarHBondContact CB-OG1 3.16Å; C290-T292 PolarHBondContact O-N 3.36Å
291	G	74.6	Confident	77.3	Confident	53 Å²	53	69.4 Å²	69.4	55%	0.546	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	21.2	-169.9	0	0	0	0	0	113	A203 V287 L288	A203-G291 VanDerWaalsContact CB-O 3.31Å; A203-G291 WeakPolarHBondContact CB-O 3.48Å; V287-G291 WeakPolarHBondContact O-CA 3.29Å; V287-G291 PolarHBondContact O-N 3.19Å; L288-G291 PolarHBondContact O-N 2.72Å
292	T	72.8	Confident	78.2	Confident	11 Å²	11	63.1 Å²	63.1	7%	0.067	35%	0.351	C	S	.	.	S	Bend	trans	-113.3	152.5	-178.6	57.3	0	0	0	0	110.6	A203 V206 V287 C290	A203-T292 HydrophobicContact CB-CG2 3.97Å; V206-T292 HydrophobicContact CG2-CG2 4.31Å; V287-T292 WeakPolarHBondContact CG1-O 3.33Å; C290-T292 HydrophobicContact CB-CG2 4.2Å; C290-T292 VanDerWaalsContact CB-OG1 3.26Å; C290-T292 WeakPolarHBondContact CB-OG1 3.16Å; C290-T292 PolarHBondContact O-N 3.36Å
293	P	70.5	Confident	78.9	Confident	85 Å²	85	62.6 Å²	62.6	55%	0.552	34%	0.342	S	S	*	.			trans	-56.2	157	171.7	-22.5	33.7	0	0	0	112.6	C295	P293-C295 VanDerWaalsContact C-N 3.28Å; P293-C295 PolarHBondContact O-N 2.9Å
294	S	76.5	Confident	79.1	Confident	35 Å²	35	70.8 Å²	70.8	25%	0.245	37%	0.372	C	S	.	.	S	Bend	trans	-82.1	-2.6	178.4	70.5	0	0	0	0	114.3	H111 N133	H111-S294 PolarHBondContact CE1-O 3.48Å; H111-S294 VanDerWaalsContact CE1-O 3.23Å; H111-S294 PolarHBondContact CE1-OG 3.33Å; H111-S294 WeakPolarHBondContact NE2-CB 3.48Å; H111-S294 PolarHBondContact NE2-OG 3.37Å; H111-S294 VanDerWaalsContact NE2-OG 3.13Å; N133-S294 PolarHBondContact ND2-O 2.73Å; N133-S294 PolarHBondContact OD1-O 2.97Å
295	C	73.6	Confident	79.2	Confident	33 Å²	33	73 Å²	73	22%	0.223	38%	0.381	C	S	.	.	S	Bend	trans	-145.7	158.4	178.4	55.8	0	0	0	0	110	P293 K297	P293-C295 VanDerWaalsContact C-N 3.28Å; P293-C295 PolarHBondContact O-N 2.9Å; C295-K297 HydrophobicContact CB-CG 4.32Å; C295-K297 PolarHBondContact O-N 3.43Å
296	D	66.4	Low	79.3	Confident	27 Å²	27	72.9 Å²	72.9	14%	0.144	38%	0.38	C	S	.	.			trans	-85.3	31.1	174	-168.8	18.7	0	0	0	112.6	D132 G208 C209 S210	D132-D296 HydrophobicContact CB-CB 3.9Å; D132-D296 VanDerWaalsContact CG-CB 3.46Å; D132-D296 WeakPolarHBondContact OD2-CB 3.41Å; G208-D296 VanDerWaalsContact C-OD2 3.29Å; G208-D296 WeakPolarHBondContact CA-OD1 3.31Å; G208-D296 WeakPolarHBondContact CA-OD2 3.5Å; C209-D296 WeakPolarHBondContact CA-OD2 3.33Å; C209-D296 WeakPolarHBondContact CB-OD2 3.27Å; C209-D296 PolarHBondContact N-OD2 3.24Å; S210-D296 VanDerWaalsContact CB-O 3.29Å; S210-D296 WeakPolarHBondContact CB-O 3.38Å; S210-D296 PolarHBondContact N-OD2 3.36Å; S210-D296 PolarHBondContact OG-O 3.5Å; S210-D296 PolarHBondContact OG-OD1 3.38Å
297	K	69.8	Low	79.2	Confident	110 Å²	110	80.4 Å²	80.4	48%	0.478	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-66.2	137.9	172.9	-72.7	179.2	-178.9	165.7	0	108.7	D66 C295 R299	D66-K297 WeakPolarHBondContact OD1-CE 3.36Å; D66-K297 IonicContact OD1-NZ 2.96Å; D66-K297 PolarHBondContact OD1-NZ 3.28Å; C295-K297 HydrophobicContact CB-CG 4.32Å; C295-K297 PolarHBondContact O-N 3.43Å; K297-R299 PolarHBondContact O-N 3.09Å
298	P	65	Low	79.5	Confident	62 Å²	62	81.9 Å²	81.9	40%	0.403	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-58.8	138.8	179.5	-15	23.8	0	0	0	110.2	N300 R385	P298-N300 PolarHBondContact O-N 3.47Å; P298-R385 PolarHBondContact O-NH1 3.35Å
299	R	69.7	Low	80.2	Confident	139 Å²	139	75.7 Å²	75.7	53%	0.525	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-50.9	140.9	178.9	-67.9	-173.4	-176.6	-176.7	3.3	111	K297 R385	K297-R299 PolarHBondContact O-N 3.09Å; R299-R385 WeakPolarHBondContact O-CD 3.39Å; R299-R385 PolarHBondContact O-NH1 2.89Å
300	N	81.2	Confident	81	Confident	142 Å²	142	72.5 Å²	72.5	76%	0.759	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-55.5	155.8	175.6	-70.8	-28.7	0	0	0	112.1	P298 N302 N387	P298-N300 PolarHBondContact O-N 3.47Å; N300-N302 PolarHBondContact O-N 2.89Å; N300-N387 PolarHBondContact O-ND2 3.43Å
301	M	87.1	Confident	81.9	Confident	63 Å²	63	74 Å²	74	31%	0.31	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-56.9	128.3	169.5	-68.5	-176.6	-69.5	0	0	109.6	M303 S446 A447 L450	M301-M303 VanDerWaalsContact C-N 3.33Å; M301-M303 HydrophobicContact CB-CG 4.1Å; M301-M303 HydrophobicContact CB-SD 4.2Å; M301-M303 PolarHBondContact O-N 2.99Å; M301-S446 VanDerWaalsContact SD-CB 3.5Å; M301-A447 HydrophobicContact SD-CB 4.22Å; M301-L450 HydrophobicContact CE-CD2 4.09Å
302	N	88.8	Confident	83	Confident	45 Å²	45	71.5 Å²	71.5	24%	0.241	36%	0.36	C	S	.	.			trans	-80	85	175	-176.1	1.7	0	0	0	109.9	N300 R304 R309 R385 N387 G443	N300-N302 PolarHBondContact O-N 2.89Å; N302-R304 VanDerWaalsContact C-N 3.29Å; N302-R304 PolarHBondContact O-N 3.28Å; N302-R304 WeakPolarHBondContact OD1-CB 3.48Å; N302-R304 PolarHBondContact OD1-N 3.21Å; N302-R309 PolarHBondContact ND2-NH1 3.31Å; N302-R309 PolarHBondContact O-NH1 3.08Å; N302-R309 PolarHBondContact O-NH2 3.26Å; N302-R309 PolarHBondContact OD1-NH1 2.91Å; N302-R385 PolarHBondContact N-O 2.92Å; N302-N387 WeakPolarHBondContact CB-OD1 3.33Å; N302-G443 PolarHBondContact O-N 3.16Å
303	M	92.6	Very high	84.1	Confident	85 Å²	85	75.2 Å²	75.2	42%	0.419	38%	0.376	S	S	.	.			trans	-83.5	4.1	179.6	-63.2	-57.9	-69.8	0	0	113.8	M301 I305 G443 A447	M301-M303 VanDerWaalsContact C-N 3.33Å; M301-M303 HydrophobicContact CB-CG 4.1Å; M301-M303 HydrophobicContact CB-SD 4.2Å; M301-M303 PolarHBondContact O-N 2.99Å; M303-I305 PolarHBondContact O-N 2.8Å; M303-G443 VanDerWaalsContact SD-CA 3.53Å; M303-A447 HydrophobicContact CE-CB 4.5Å; M303-A447 HydrophobicContact SD-CB 4.08Å
304	R	90.2	Very high	85.3	Confident	180 Å²	180	75.9 Å²	75.9	68%	0.679	37%	0.372	S	S	*	.			trans	-59	125.2	178.6	-179.8	-179.8	170.9	-176.6	-3.1	109.4	N302 R309	N302-R304 VanDerWaalsContact C-N 3.29Å; N302-R304 PolarHBondContact O-N 3.28Å; N302-R304 WeakPolarHBondContact OD1-CB 3.48Å; N302-R304 PolarHBondContact OD1-N 3.21Å; R304-R309 WeakPolarHBondContact O-CD 3.43Å; R304-R309 PolarHBondContact O-NH1 2.88Å
305	I	89.9	Confident	86.3	Confident	95 Å²	95	74.3 Å²	74.3	49%	0.487	36%	0.361	S	S	.	.			trans	-100.6	136	172.9	-58.6	-61.9	0	0	0	109	M303 T311 A442	M303-I305 PolarHBondContact O-N 2.8Å; I305-T311 HydrophobicContact CD1-CG2 4.01Å; I305-A442 HydrophobicContact CD1-CB 3.39Å
306	D	88.8	Confident	87.3	Confident	59 Å²	59	75.9 Å²	75.9	32%	0.316	36%	0.364	S	S	.	.			trans	-146.5	-177.3	167.9	66	56.6	0	0	0	109.4	H308 R309	D306-H308 PolarHBondContact O-N 3.33Å; D306-H308 PolarHBondContact OD1-N 2.71Å; D306-R309 PolarHBondContact O-N 3.47Å; D306-R309 VanDerWaalsContact O-N 3.12Å
307	N	84.3	Confident	88.7	Confident	165 Å²	165	76.2 Å²	76.2	88%	0.882	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-13.6	-174.2	-64.4	-7.9	0	0	0	114.7
308	H	88	Confident	89.8	Confident	93 Å²	93	74 Å²	74	43%	0.431	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	13	-178.9	-60.2	92.4	0	0	0	113	D306 K397 C439 D440	D306-H308 PolarHBondContact O-N 3.33Å; D306-H308 PolarHBondContact OD1-N 2.71Å; H308-K397 PolarHBondContact NE2-NZ 3.45Å; H308-K397 VanDerWaalsContact NE2-NZ 3.18Å; H308-C439 WeakPolarHBondContact O-CA 3.31Å; H308-C439 WeakPolarHBondContact O-CB 3.44Å; H308-D440 PolarHBondContact O-N 3.37Å
309	R	96.6	Very high	91.2	Very high	15 Å²	15	73.3 Å²	73.3	6%	0.057	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	136.3	179.3	-49.1	-165.1	69.1	-152.2	5.7	110.8	N302 R304 D306 G386 D440	N302-R309 PolarHBondContact ND2-NH1 3.31Å; N302-R309 PolarHBondContact O-NH1 3.08Å; N302-R309 PolarHBondContact O-NH2 3.26Å; N302-R309 PolarHBondContact OD1-NH1 2.91Å; R304-R309 WeakPolarHBondContact O-CD 3.43Å; R304-R309 PolarHBondContact O-NH1 2.88Å; D306-R309 PolarHBondContact O-N 3.47Å; D306-R309 VanDerWaalsContact O-N 3.12Å; R309-G386 PolarHBondContact NH2-O 3.24Å; R309-D440 CarbonylContact C-O 3.52Å; R309-D440 WeakPolarHBondContact CA-O 3.29Å; R309-D440 WeakPolarHBondContact CD-OD1 3.46Å; R309-D440 VanDerWaalsContact CG-OD1 3.24Å; R309-D440 WeakPolarHBondContact CG-OD1 3.17Å; R309-D440 IonicContact CZ-OD1 3.63Å; R309-D440 IonicContact CZ-OD2 2.8Å; R309-D440 IonicContact NE-OD1 3.78Å; R309-D440 PolarHBondContact NE-OD1 3.31Å; R309-D440 IonicContact NE-OD2 3.88Å; R309-D440 PolarHBondContact NE-OD2 3.32Å; R309-D440 IonicContact NH2-OD1 3.4Å; R309-D440 IonicContact NH2-OD2 3.26Å; R309-D440 PolarHBondContact NH2-OD2 3.24Å
310	I	96.5	Very high	92.4	Very high	16 Å²	16	71.2 Å²	71.2	8%	0.082	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	155.6	177.8	67	168.7	0	0	0	111.2	Q314 L315 Y318 I380 C439 D440 V441 A442	I310-Q314 VanDerWaalsContact CA-OE1 3.25Å; I310-Q314 HydrophobicContact CB-CB 4.08Å; I310-L315 HydrophobicContact CD1-CB 4.17Å; I310-Y318 HydrophobicContact CD1-CD2 4.37Å; I310-Y318 HydrophobicContact CD1-CE2 4.33Å; I310-I380 HydrophobicContact CD1-CD1 3.84Å; I310-I380 HydrophobicContact CD1-CG1 4.24Å; I310-I380 HydrophobicContact CD1-CG2 3.79Å; I310-I380 HydrophobicContact CG1-CG2 4.41Å; I310-C439 HydrophobicContact CG2-CB 4.33Å; I310-D440 PolarHBondContact N-O 3.34Å; I310-V441 HydrophobicContact CD1-CG2 4.39Å; I310-V441 HydrophobicContact CG1-CG2 4.21Å; I310-A442 PolarHBondContact O-N 2.94Å
311	T	97.5	Very high	92.7	Very high	40 Å²	40	67.3 Å²	67.3	25%	0.245	34%	0.338	C	S	.	.			trans	-81.8	165	172	77.9	0	0	0	0	111.6	I305 Q313 Q314 L315	I305-T311 HydrophobicContact CD1-CG2 4.01Å; T311-Q313 VanDerWaalsContact C-N 3.25Å; T311-Q313 VanDerWaalsContact CB-OE1 3.31Å; T311-Q313 PolarHBondContact O-N 2.65Å; T311-Q313 PolarHBondContact OG1-N 2.76Å; T311-Q313 PolarHBondContact OG1-OE1 3.48Å; T311-Q314 PolarHBondContact O-N 2.86Å; T311-Q314 PolarHBondContact OG1-N 3.48Å; T311-L315 PolarHBondContact O-N 3.05Å
312	V	96.8	Very high	92.4	Very high	2 Å²	2	72.6 Å²	72.6	1%	0.012	36%	0.362	C	S	.	.	H	α-helix	trans	-65.5	-27.2	175	-66.3	0	0	0	0	112.8	L315 K316 V441 A447 W448 E451 I452	V312-L315 PolarHBondContact O-N 3.3Å; V312-K316 WeakPolarHBondContact O-CB 3.42Å; V312-K316 PolarHBondContact O-N 3.39Å; V312-V441 HydrophobicContact CG1-CG1 3.66Å; V312-A447 HydrophobicContact CG1-CB 3.83Å; V312-A447 HydrophobicContact CG2-CB 4.49Å; V312-W448 HydrophobicContact CB-CE3 4.34Å; V312-W448 HydrophobicContact CG1-CB 4.28Å; V312-E451 HydrophobicContact CG2-CB 3.89Å; V312-E451 HydrophobicContact CG2-CG 4.43Å; V312-E451 WeakPolarHBondContact CG2-OE2 3.45Å; V312-I452 HydrophobicContact CB-CG1 3.93Å; V312-I452 HydrophobicContact CG2-CD1 4.26Å; V312-I452 HydrophobicContact CG2-CG1 3.83Å
313	Q	97.1	Very high	92.3	Very high	89 Å²	89	74.3 Å²	74.3	42%	0.416	37%	0.371	S	S	.	.	H	α-helix	trans	-69.2	-39.3	171.8	-62.1	75.8	14.2	0	0	111.7	T311 K316 G317 E451 I452	T311-Q313 VanDerWaalsContact C-N 3.25Å; T311-Q313 VanDerWaalsContact CB-OE1 3.31Å; T311-Q313 PolarHBondContact O-N 2.65Å; T311-Q313 PolarHBondContact OG1-N 2.76Å; T311-Q313 PolarHBondContact OG1-OE1 3.48Å; Q313-K316 PolarHBondContact O-N 3.1Å; Q313-G317 PolarHBondContact O-N 3.02Å; Q313-E451 PolarHBondContact NE2-OE2 2.91Å; Q313-I452 HydrophobicContact CG-CD1 4.09Å
314	Q	95.7	Very high	92.2	Very high	99 Å²	99	72.6 Å²	72.6	46%	0.463	37%	0.366	S	S	.	.	H	α-helix	trans	-65.5	-42.4	174.3	-69.8	175	-58.3	0	0	110.8	I310 T311 K316 G317 Y318	I310-Q314 VanDerWaalsContact CA-OE1 3.25Å; I310-Q314 HydrophobicContact CB-CB 4.08Å; T311-Q314 PolarHBondContact O-N 2.86Å; T311-Q314 PolarHBondContact OG1-N 3.48Å; Q314-K316 VanDerWaalsContact C-N 3.35Å; Q314-K316 PolarHBondContact O-N 2.69Å; Q314-G317 WeakPolarHBondContact O-CA 3.42Å; Q314-G317 PolarHBondContact O-N 3Å; Q314-G317 VanDerWaalsContact O-N 3.14Å; Q314-Y318 VanDerWaalsContact O-CD2 3.25Å; Q314-Y318 WeakPolarHBondContact O-CD2 3.49Å; Q314-Y318 PolarHBondContact O-N 3.34Å
315	L	95.9	Very high	92.4	Very high	1 Å²	1	66.1 Å²	66.1	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-58.6	-45.5	171.9	177.7	64.2	0	0	0	111.7	I310 T311 V312 G317 Y318 I319 L327 L341 I380 V441 W448	I310-L315 HydrophobicContact CD1-CB 4.17Å; T311-L315 PolarHBondContact O-N 3.05Å; V312-L315 PolarHBondContact O-N 3.3Å; L315-G317 VanDerWaalsContact C-N 3.26Å; L315-G317 PolarHBondContact O-N 3.19Å; L315-Y318 WeakPolarHBondContact O-CB 3.41Å; L315-Y318 PolarHBondContact O-N 3.18Å; L315-Y318 VanDerWaalsContact O-N 3.14Å; L315-I319 HydrophobicContact CD1-CD1 4.35Å; L315-I319 HydrophobicContact CG-CD1 3.99Å; L315-I319 WeakPolarHBondContact O-CG1 3.06Å; L315-I319 PolarHBondContact O-N 2.89Å; L315-L327 HydrophobicContact CD1-CD1 3.97Å; L315-L327 HydrophobicContact CD1-CD2 4.34Å; L315-L341 HydrophobicContact CD2-CD1 3.81Å; L315-I380 HydrophobicContact CD1-CD1 4.09Å; L315-I380 HydrophobicContact CD1-CG2 4.37Å; L315-V441 HydrophobicContact CD2-CG1 4.32Å; L315-V441 HydrophobicContact CD2-CG2 3.97Å; L315-W448 HydrophobicContact CD2-CE3 4.11Å; L315-W448 HydrophobicContact CD2-CZ3 4.08Å; L315-W448 HydrophobicContact CG-CZ3 4.23Å
316	K	96.1	Very high	92.8	Very high	66 Å²	66	62.5 Å²	62.5	29%	0.287	32%	0.324	S	S	.	.	H	α-helix	trans	-59	-39.7	174.8	-174	62.5	165.4	76.1	0	111.3	V312 Q313 Q314 I319 D320 W448 I452	V312-K316 WeakPolarHBondContact O-CB 3.42Å; V312-K316 PolarHBondContact O-N 3.39Å; Q313-K316 PolarHBondContact O-N 3.1Å; Q314-K316 VanDerWaalsContact C-N 3.35Å; Q314-K316 PolarHBondContact O-N 2.69Å; K316-I319 PolarHBondContact O-N 3.21Å; K316-D320 IonicContact NZ-OD1 3.08Å; K316-D320 PolarHBondContact NZ-OD1 3.41Å; K316-D320 IonicContact NZ-OD2 3Å; K316-D320 PolarHBondContact NZ-OD2 2.68Å; K316-D320 WeakPolarHBondContact O-CB 3.26Å; K316-D320 VanDerWaalsContact O-CG 3.22Å; K316-D320 PolarHBondContact O-N 3.05Å; K316-W448 HydrophobicContact CB-CH2 4.38Å; K316-W448 HydrophobicContact CB-CZ3 4.11Å; K316-W448 HydrophobicContact CD-CH2 3.61Å; K316-W448 HydrophobicContact CD-CZ2 4.4Å; K316-W448 HydrophobicContact CD-CZ3 4.21Å; K316-I452 HydrophobicContact CB-CD1 4.23Å; K316-I452 HydrophobicContact CD-CG2 3.89Å; K316-I452 HydrophobicContact CG-CG2 4.23Å
317	G	95.6	Very high	93.2	Very high	35 Å²	35	59.7 Å²	59.7	36%	0.361	31%	0.309	S	S	.	.	H	α-helix	trans	-59.7	-42.8	173.2	0	0	0	0	0	113.3	Q313 Q314 L315 D320 S321	Q313-G317 PolarHBondContact O-N 3.02Å; Q314-G317 WeakPolarHBondContact O-CA 3.42Å; Q314-G317 PolarHBondContact O-N 3Å; Q314-G317 VanDerWaalsContact O-N 3.14Å; L315-G317 VanDerWaalsContact C-N 3.26Å; L315-G317 PolarHBondContact O-N 3.19Å; G317-D320 PolarHBondContact O-N 3.38Å; G317-S321 WeakPolarHBondContact O-CB 3.44Å; G317-S321 PolarHBondContact O-N 2.7Å; G317-S321 PolarHBondContact O-OG 2.87Å
318	Y	93.3	Very high	93.9	Very high	62 Å²	62	51.9 Å²	51.9	24%	0.243	27%	0.267	C	S	.	.	H	α-helix	trans	-61.5	-46.4	172.5	-77.3	-68.3	0	0	0	111.8	I310 Q314 L315 D320 S321 Q322 Y325 P378 I380	I310-Y318 HydrophobicContact CD1-CD2 4.37Å; I310-Y318 HydrophobicContact CD1-CE2 4.33Å; Q314-Y318 VanDerWaalsContact O-CD2 3.25Å; Q314-Y318 WeakPolarHBondContact O-CD2 3.49Å; Q314-Y318 PolarHBondContact O-N 3.34Å; L315-Y318 WeakPolarHBondContact O-CB 3.41Å; L315-Y318 PolarHBondContact O-N 3.18Å; L315-Y318 VanDerWaalsContact O-N 3.14Å; Y318-D320 VanDerWaalsContact C-N 3.33Å; Y318-D320 PolarHBondContact O-N 2.83Å; Y318-S321 PolarHBondContact O-OG 3.08Å; Y318-S321 VanDerWaalsContact O-OG 3.08Å; Y318-Q322 PolarHBondContact O-N 3.06Å; Y318-Y325 WeakPolarHBondContact O-CE1 3.36Å; Y318-P378 HydrophobicContact CD1-CG 4.18Å; Y318-P378 HydrophobicContact CE1-CB 4.08Å; Y318-P378 HydrophobicContact CE1-CG 3.68Å; Y318-I380 HydrophobicContact CD2-CD1 3.77Å; Y318-I380 HydrophobicContact CE2-CD1 4.12Å; Y318-I380 HydrophobicContact CG-CD1 4.21Å
319	I	93.4	Very high	94.3	Very high	48 Å²	48	47.4 Å²	47.4	25%	0.246	25%	0.246	C	C	.	.	H	α-helix	trans	-59.8	-43.2	178	-68	162.6	0	0	0	111.4	L315 K316 Y325 L341 W448	L315-I319 HydrophobicContact CD1-CD1 4.35Å; L315-I319 HydrophobicContact CG-CD1 3.99Å; L315-I319 WeakPolarHBondContact O-CG1 3.06Å; L315-I319 PolarHBondContact O-N 2.89Å; K316-I319 PolarHBondContact O-N 3.21Å; I319-Y325 VanDerWaalsContact CG1-OH 3.25Å; I319-Y325 WeakPolarHBondContact CG1-OH 3.45Å; I319-L341 HydrophobicContact CD1-CD1 4.3Å; I319-W448 HydrophobicContact CD1-CH2 3.55Å; I319-W448 HydrophobicContact CD1-CZ3 3.87Å
320	D	94.2	Very high	94.4	Very high	96 Å²	96	46.7 Å²	46.7	51%	0.513	24%	0.244	S	C	.	.	H	α-helix	trans	-79.3	-34.7	-175.6	-69.7	-14.1	0	0	0	113.3	K316 G317 Y318 Q322	K316-D320 IonicContact NZ-OD1 3.08Å; K316-D320 PolarHBondContact NZ-OD1 3.41Å; K316-D320 IonicContact NZ-OD2 3Å; K316-D320 PolarHBondContact NZ-OD2 2.68Å; K316-D320 WeakPolarHBondContact O-CB 3.26Å; K316-D320 VanDerWaalsContact O-CG 3.22Å; K316-D320 PolarHBondContact O-N 3.05Å; G317-D320 PolarHBondContact O-N 3.38Å; Y318-D320 VanDerWaalsContact C-N 3.33Å; Y318-D320 PolarHBondContact O-N 2.83Å; D320-Q322 PolarHBondContact O-N 3.44Å
321	S	88.9	Confident	94.3	Very high	59 Å²	59	46 Å²	46	41%	0.413	24%	0.24	S	C	.	.	H	α-helix	trans	-69.2	-15.6	179.2	65.6	0	0	0	0	113.3	G317 Y318 L323	G317-S321 WeakPolarHBondContact O-CB 3.44Å; G317-S321 PolarHBondContact O-N 2.7Å; G317-S321 PolarHBondContact O-OG 2.87Å; Y318-S321 PolarHBondContact O-OG 3.08Å; Y318-S321 VanDerWaalsContact O-OG 3.08Å; S321-L323 PolarHBondContact O-N 3Å; S321-L323 PolarHBondContact OG-N 2.69Å
322	Q	79.3	Confident	94.1	Very high	174 Å²	174	46.5 Å²	46.5	81%	0.813	24%	0.244	S	C	*	.			trans	52.3	16.7	-172.4	-58.9	-161.2	-23	0	0	114.3	Y318 D320	Y318-Q322 PolarHBondContact O-N 3.06Å; D320-Q322 PolarHBondContact O-N 3.44Å
323	L	86.9	Confident	94	Very high	81 Å²	81	52.1 Å²	52.1	42%	0.424	27%	0.268	S	S	.	.			trans	-64.6	146.3	171.5	-68.5	175.2	0	0	0	109.2	S321 Y325	S321-L323 PolarHBondContact O-N 3Å; S321-L323 PolarHBondContact OG-N 2.69Å; L323-Y325 WeakPolarHBondContact O-CD1 3.21Å; L323-Y325 PolarHBondContact O-N 2.66Å
324	P	91.5	Very high	93.7	Very high	49 Å²	49	53 Å²	53	32%	0.318	28%	0.28	S	S	.	.			trans	-61.8	123.4	176.9	-24	34.6	0	0	0	111.9	A373 F377	P324-A373 HydrophobicContact CB-CB 3.87Å; P324-A373 HydrophobicContact CG-CB 4.07Å; P324-F377 HydrophobicContact CB-CE2 3.91Å; P324-F377 WeakPolarHBondContact O-CE2 3.44Å
325	Y	95	Very high	93.6	Very high	44 Å²	44	49.9 Å²	49.9	17%	0.173	27%	0.265	C	S	.	.			trans	-140.8	161.7	170.1	64	-89	0	0	0	109.6	Y318 I319 L323 L327 S343 I380	Y318-Y325 WeakPolarHBondContact O-CE1 3.36Å; I319-Y325 VanDerWaalsContact CG1-OH 3.25Å; I319-Y325 WeakPolarHBondContact CG1-OH 3.45Å; L323-Y325 WeakPolarHBondContact O-CD1 3.21Å; L323-Y325 PolarHBondContact O-N 2.66Å; Y325-L327 HydrophobicContact CD2-CB 3.92Å; Y325-L327 HydrophobicContact CE2-CB 3.72Å; Y325-L327 HydrophobicContact CE2-CD2 4.47Å; Y325-S343 WeakPolarHBondContact OH-CB 3.39Å; Y325-S343 PolarHBondContact OH-OG 2.96Å; Y325-I380 HydrophobicContact CD2-CD1 4.39Å
326	L	96.8	Very high	93.6	Very high	19 Å²	19	51.1 Å²	51.1	10%	0.099	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	114.5	170.3	-179.9	60.8	0	0	0	109.2	I328 M345 I361 L364 F377 P378 V379 I380	L326-I328 HydrophobicContact CD1-CG1 4.45Å; L326-I328 HydrophobicContact CD2-CD1 4.04Å; L326-I328 HydrophobicContact CD2-CG1 4.3Å; L326-I328 HydrophobicContact CG-CD1 4.25Å; L326-I328 HydrophobicContact CG-CG1 3.96Å; L326-M345 HydrophobicContact CD1-SD 4.31Å; L326-I361 HydrophobicContact CD2-CG2 3.96Å; L326-L364 HydrophobicContact CD1-CD1 4.42Å; L326-F377 HydrophobicContact CB-CE1 3.8Å; L326-F377 HydrophobicContact CB-CZ 4.01Å; L326-P378 PolarHBondContact N-O 2.61Å; L326-V379 HydrophobicContact CD2-CG1 4.28Å; L326-V379 CarbonylContact O-C 3.58Å; L326-V379 WeakPolarHBondContact O-CA 3.39Å; L326-I380 PolarHBondContact O-N 3.1Å
327	L	97.8	Very high	93.6	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	121.8	175.1	177.5	66.3	0	0	0	109.3	L315 Y325 L341 S344 M345 I380 L382	L315-L327 HydrophobicContact CD1-CD1 3.97Å; L315-L327 HydrophobicContact CD1-CD2 4.34Å; Y325-L327 HydrophobicContact CD2-CB 3.92Å; Y325-L327 HydrophobicContact CE2-CB 3.72Å; Y325-L327 HydrophobicContact CE2-CD2 4.47Å; L327-L341 HydrophobicContact CD2-CB 4.17Å; L327-L341 HydrophobicContact CD2-CD1 4.02Å; L327-S344 CarbonylContact O-C 3.56Å; L327-S344 WeakPolarHBondContact O-CA 3.43Å; L327-M345 PolarHBondContact O-N 2.81Å; L327-I380 CarbonylContact C-O 3.54Å; L327-I380 WeakPolarHBondContact CA-O 3.16Å; L327-I380 HydrophobicContact CD1-CB 3.97Å; L327-I380 HydrophobicContact CD1-CG2 3.86Å; L327-L382 HydrophobicContact CD1-CB 3.99Å; L327-L382 HydrophobicContact CD1-CD2 4.35Å; L327-L382 HydrophobicContact CD2-CD2 4.5Å
328	I	98.3	Very high	93.5	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	115.6	-178.2	-54.4	178.7	0	0	0	109.1	L326 V330 M345 I347 L352 I361 V379 I380 L381 L382 L396	L326-I328 HydrophobicContact CD1-CG1 4.45Å; L326-I328 HydrophobicContact CD2-CD1 4.04Å; L326-I328 HydrophobicContact CD2-CG1 4.3Å; L326-I328 HydrophobicContact CG-CD1 4.25Å; L326-I328 HydrophobicContact CG-CG1 3.96Å; I328-V330 HydrophobicContact CG2-CG1 4.08Å; I328-M345 CarbonylContact C-O 3.16Å; I328-M345 WeakPolarHBondContact CA-O 3.5Å; I328-I347 HydrophobicContact CD1-CD1 4.3Å; I328-I347 HydrophobicContact CG2-CB 3.73Å; I328-I347 HydrophobicContact CG2-CD1 3.85Å; I328-I347 HydrophobicContact CG2-CG1 3.91Å; I328-L352 HydrophobicContact CG2-CD1 4.42Å; I328-I361 HydrophobicContact CD1-CD1 3.84Å; I328-I361 HydrophobicContact CD1-CG1 4.11Å; I328-I361 HydrophobicContact CD1-CG2 4.38Å; I328-V379 HydrophobicContact CD1-CG1 4.03Å; I328-I380 PolarHBondContact N-O 2.94Å; I328-L381 WeakPolarHBondContact O-CA 3.44Å; I328-L382 PolarHBondContact O-N 2.85Å; I328-L396 HydrophobicContact CD1-CD2 4.36Å
329	D	98.2	Very high	93.6	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	114.3	171.6	-166.8	-35.3	0	0	0	109.8	R331 F336 M345 I347 L382	D329-R331 VanDerWaalsContact OD1-CB 3.24Å; D329-R331 WeakPolarHBondContact OD1-CB 3.24Å; D329-R331 VanDerWaalsContact OD1-CG 3.23Å; D329-R331 WeakPolarHBondContact OD1-CG 3.37Å; D329-R331 IonicContact OD1-CZ 3.21Å; D329-R331 PolarHBondContact OD1-N 3.32Å; D329-R331 IonicContact OD1-NE 3.42Å; D329-R331 PolarHBondContact OD1-NE 2.89Å; D329-R331 IonicContact OD1-NH2 3.34Å; D329-R331 IonicContact OD2-CZ 2.7Å; D329-R331 IonicContact OD2-NE 3.8Å; D329-R331 PolarHBondContact OD2-NE 3.48Å; D329-R331 VanDerWaalsContact OD2-NE 3.08Å; D329-R331 IonicContact OD2-NH2 3.1Å; D329-R331 PolarHBondContact OD2-NH2 3Å; D329-F336 HydrophobicContact CB-CD2 3.92Å; D329-F336 HydrophobicContact CB-CE2 3.99Å; D329-M345 PolarHBondContact N-O 2.85Å; D329-I347 CarbonylContact O-C 3.58Å; D329-I347 PolarHBondContact O-N 3.07Å; D329-L382 WeakPolarHBondContact CA-O 3.44Å
330	V	97.4	Very high	93.7	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.286	C	S	.	.			trans	-94.2	7.1	-174.8	-55.7	0	0	0	0	114.3	I328 I347 V349 L352 L381 L382 C383	I328-V330 HydrophobicContact CG2-CG1 4.08Å; V330-I347 VanDerWaalsContact CA-O 3.29Å; V330-I347 WeakPolarHBondContact CA-O 3.23Å; V330-V349 HydrophobicContact CB-CB 4.35Å; V330-V349 PolarHBondContact O-N 3.33Å; V330-L352 HydrophobicContact CG1-CD2 4.15Å; V330-L381 HydrophobicContact CG1-CD2 4.02Å; V330-L381 HydrophobicContact CG1-CG 4.04Å; V330-L382 WeakPolarHBondContact CG2-O 3.06Å; V330-L382 PolarHBondContact N-O 3.06Å; V330-C383 HydrophobicContact CG2-CB 3.81Å
331	R	95	Very high	93.8	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.008	26%	0.264	C	S	.	.	S	Bend	trans	-72	156.9	178.8	-63.6	178.6	-63.6	148.9	4.7	111.9	D329 E335 C339 H346 C383 L445 Y459	D329-R331 VanDerWaalsContact OD1-CB 3.24Å; D329-R331 WeakPolarHBondContact OD1-CB 3.24Å; D329-R331 VanDerWaalsContact OD1-CG 3.23Å; D329-R331 WeakPolarHBondContact OD1-CG 3.37Å; D329-R331 IonicContact OD1-CZ 3.21Å; D329-R331 PolarHBondContact OD1-N 3.32Å; D329-R331 IonicContact OD1-NE 3.42Å; D329-R331 PolarHBondContact OD1-NE 2.89Å; D329-R331 IonicContact OD1-NH2 3.34Å; D329-R331 IonicContact OD2-CZ 2.7Å; D329-R331 IonicContact OD2-NE 3.8Å; D329-R331 PolarHBondContact OD2-NE 3.48Å; D329-R331 VanDerWaalsContact OD2-NE 3.08Å; D329-R331 IonicContact OD2-NH2 3.1Å; D329-R331 PolarHBondContact OD2-NH2 3Å; R331-E335 HydrophobicContact CB-CB 3.89Å; R331-E335 WeakPolarHBondContact CD-OE2 3.35Å; R331-E335 PolarHBondContact NH1-O 3.34Å; R331-C339 PolarHBondContact NH1-O 2.89Å; R331-C339 PolarHBondContact NH2-O 2.99Å; R331-H346 PolarHBondContact O-NE2 3.48Å; R331-C383 HydrophobicContact CG-CB 4.12Å; R331-L445 VanDerWaalsContact NH2-CD1 3.32Å; R331-Y459 PolarHBondContact NH1-OH 3.12Å
332	P	92.2	Very high	94	Very high	50 Å²	50	57.8 Å²	57.8	33%	0.325	29%	0.288	S	S	.	.			trans	-54.5	152.8	167.5	-23.3	34	0	0	0	112.1	T334 E335 F336	P332-T334 PolarHBondContact O-N 3.48Å; P332-E335 WeakPolarHBondContact CD-OE1 3.36Å; P332-E335 PolarHBondContact O-N 2.91Å; P332-F336 PolarHBondContact O-N 3.37Å; P332-F336 VanDerWaalsContact O-N 3.1Å
333	K	94.9	Very high	94.4	Very high	120 Å²	120	52.1 Å²	52.1	52%	0.522	27%	0.268	S	S	.	.	H	α-helix	trans	-54.3	-39.8	-179.4	-166.9	-168.6	-179.3	-50.7	0	112.9	E335 F336 D337	K333-E335 VanDerWaalsContact C-N 3.29Å; K333-E335 PolarHBondContact O-N 2.99Å; K333-F336 PolarHBondContact O-N 3.38Å; K333-D337 IonicContact NZ-OD1 2.67Å; K333-D337 PolarHBondContact NZ-OD1 2.87Å; K333-D337 IonicContact NZ-OD2 3.61Å; K333-D337 PolarHBondContact NZ-OD2 2.69Å; K333-D337 WeakPolarHBondContact O-CB 3.28Å; K333-D337 PolarHBondContact O-N 3.48Å
334	T	92.1	Very high	94.8	Very high	108 Å²	108	49 Å²	49	66%	0.663	25%	0.252	S	S	*	.	H	α-helix	trans	-59.8	-37.2	178.9	48.3	0	0	0	0	113	P332 I338	P332-T334 PolarHBondContact O-N 3.48Å; T334-I338 WeakPolarHBondContact O-CG1 3.48Å
335	E	93.3	Very high	95.1	Very high	33 Å²	33	49 Å²	49	15%	0.154	25%	0.249	C	C	.	.	H	α-helix	trans	-75.4	-38.6	175.5	-73.6	-174.1	-128.2	0	0	111.9	R331 P332 K333 D337 I338 Y459	R331-E335 HydrophobicContact CB-CB 3.89Å; R331-E335 WeakPolarHBondContact CD-OE2 3.35Å; R331-E335 PolarHBondContact NH1-O 3.34Å; P332-E335 WeakPolarHBondContact CD-OE1 3.36Å; P332-E335 PolarHBondContact O-N 2.91Å; K333-E335 VanDerWaalsContact C-N 3.29Å; K333-E335 PolarHBondContact O-N 2.99Å; E335-D337 VanDerWaalsContact C-N 3.31Å; E335-D337 PolarHBondContact O-N 2.94Å; E335-I338 PolarHBondContact O-N 3.21Å; E335-Y459 WeakPolarHBondContact CB-OH 3.35Å; E335-Y459 HydrophobicContact CG-CE2 3.9Å; E335-Y459 WeakPolarHBondContact CG-OH 3.3Å; E335-Y459 PolarHBondContact OE2-OH 3.38Å
336	F	95.8	Very high	95.2	Very high	27 Å²	27	49.6 Å²	49.6	12%	0.118	25%	0.253	C	S	.	.	H	α-helix	trans	-63.3	-37.2	176	-174.1	-90.1	0	0	0	112.4	D329 P332 K333 I338 C339 H340 H346	D329-F336 HydrophobicContact CB-CD2 3.92Å; D329-F336 HydrophobicContact CB-CE2 3.99Å; P332-F336 PolarHBondContact O-N 3.37Å; P332-F336 VanDerWaalsContact O-N 3.1Å; K333-F336 PolarHBondContact O-N 3.38Å; F336-I338 VanDerWaalsContact C-N 3.3Å; F336-I338 PolarHBondContact O-N 2.86Å; F336-C339 CarbonylContact O-C 3.52Å; F336-C339 PolarHBondContact O-N 2.88Å; F336-H340 HydrophobicContact CD1-CB 4.44Å; F336-H340 AromaticContact CD1-ND1 3.74Å; F336-H340 HydrophobicContact CD2-CB 3.62Å; F336-H340 HydrophobicContact CE1-CB 4.21Å; F336-H340 AromaticContact CE1-CD2 3.94Å; F336-H340 AromaticContact CE1-CE1 3.67Å; F336-H340 AromaticContact CE1-CG 3.63Å; F336-H340 AromaticContact CE1-ND1 3.44Å; F336-H340 WeakPolarHBondContact CE1-ND1 3.43Å; F336-H340 AromaticContact CE1-NE2 3.98Å; F336-H340 HydrophobicContact CE2-CB 3.34Å; F336-H340 AromaticContact CE2-CG 3.62Å; F336-H340 HydrophobicContact CG-CB 4.17Å; F336-H340 HydrophobicContact CZ-CB 3.67Å; F336-H340 AromaticContact CZ-CD2 3.5Å; F336-H340 VanDerWaalsContact CZ-CD2 3.5Å; F336-H340 WeakPolarHBondContact CZ-CD2 3.18Å; F336-H340 AromaticContact CZ-CG 3.34Å; F336-H340 AromaticContact CZ-ND1 3.7Å; F336-H340 AromaticContact CZ-NE2 3.96Å; F336-H340 PolarHBondContact O-ND1 2.78Å; F336-H346 HydrophobicContact CD1-CB 4.23Å; F336-H346 HydrophobicContact CD2-CB 3.86Å; F336-H346 AromaticContact CD2-CD2 3.47Å; F336-H346 VanDerWaalsContact CD2-CD2 3.47Å; F336-H346 WeakPolarHBondContact CD2-CD2 3.5Å; F336-H346 AromaticContact CD2-CG 3.78Å; F336-H346 HydrophobicContact CE1-CB 4.05Å; F336-H346 HydrophobicContact CE2-CB 3.66Å; F336-H346 HydrophobicContact CG-CB 4.14Å; F336-H346 AromaticContact CG-CD2 3.55Å; F336-H346 AromaticContact CG-CG 3.74Å; F336-H346 HydrophobicContact CZ-CB 3.77Å
337	D	95.4	Very high	95.3	Very high	95 Å²	95	49.1 Å²	49.1	51%	0.508	25%	0.251	S	S	.	.	H	α-helix	trans	-68.9	-25	178.1	-69	-19.6	0	0	0	112.7	K333 E335	K333-D337 IonicContact NZ-OD1 2.67Å; K333-D337 PolarHBondContact NZ-OD1 2.87Å; K333-D337 IonicContact NZ-OD2 3.61Å; K333-D337 PolarHBondContact NZ-OD2 2.69Å; K333-D337 WeakPolarHBondContact O-CB 3.28Å; K333-D337 PolarHBondContact O-N 3.48Å; E335-D337 VanDerWaalsContact C-N 3.31Å; E335-D337 PolarHBondContact O-N 2.94Å
338	I	93.6	Very high	95.2	Very high	91 Å²	91	49.9 Å²	49.9	47%	0.467	26%	0.255	S	S	.	.	H	α-helix	trans	-67.2	-50.7	174.8	-66	167.5	0	0	0	110.1	T334 E335 F336 P457 Y459	T334-I338 WeakPolarHBondContact O-CG1 3.48Å; E335-I338 PolarHBondContact O-N 3.21Å; F336-I338 VanDerWaalsContact C-N 3.3Å; F336-I338 PolarHBondContact O-N 2.86Å; I338-P457 HydrophobicContact CG2-CB 4.34Å; I338-Y459 HydrophobicContact CB-CE1 4.49Å; I338-Y459 HydrophobicContact CD1-CD1 3.96Å; I338-Y459 HydrophobicContact CD1-CD2 4.36Å; I338-Y459 HydrophobicContact CD1-CE1 4.12Å; I338-Y459 HydrophobicContact CD1-CG 4.09Å; I338-Y459 HydrophobicContact CG2-CD1 3.93Å; I338-Y459 HydrophobicContact CG2-CE1 4.24Å
339	C	94.7	Very high	95	Very high	12 Å²	12	52.5 Å²	52.5	8%	0.081	27%	0.271	C	S	.	.			trans	-164.4	148.4	-180	58.4	0	0	0	0	109.6	R331 F336 F456 P457	R331-C339 PolarHBondContact NH1-O 2.89Å; R331-C339 PolarHBondContact NH2-O 2.99Å; F336-C339 CarbonylContact O-C 3.52Å; F336-C339 PolarHBondContact O-N 2.88Å; C339-F456 HydrophobicContact CB-CE1 3.97Å; C339-F456 HydrophobicContact CB-CE2 4.36Å; C339-F456 HydrophobicContact CB-CZ 3.77Å; C339-F456 WeakPolarHBondContact SG-CE1 3.3Å; C339-P457 HydrophobicContact CB-CB 4.13Å; C339-P457 HydrophobicContact CB-CG 3.89Å
340	H	96.8	Very high	94.5	Very high	86 Å²	86	57 Å²	57	40%	0.398	30%	0.303	S	S	.	.			trans	-156.2	160.5	173.3	54.3	-90.8	0	0	0	110.3	F336	F336-H340 HydrophobicContact CD1-CB 4.44Å; F336-H340 AromaticContact CD1-ND1 3.74Å; F336-H340 HydrophobicContact CD2-CB 3.62Å; F336-H340 HydrophobicContact CE1-CB 4.21Å; F336-H340 AromaticContact CE1-CD2 3.94Å; F336-H340 AromaticContact CE1-CE1 3.67Å; F336-H340 AromaticContact CE1-CG 3.63Å; F336-H340 AromaticContact CE1-ND1 3.44Å; F336-H340 WeakPolarHBondContact CE1-ND1 3.43Å; F336-H340 AromaticContact CE1-NE2 3.98Å; F336-H340 HydrophobicContact CE2-CB 3.34Å; F336-H340 AromaticContact CE2-CG 3.62Å; F336-H340 HydrophobicContact CG-CB 4.17Å; F336-H340 HydrophobicContact CZ-CB 3.67Å; F336-H340 AromaticContact CZ-CD2 3.5Å; F336-H340 VanDerWaalsContact CZ-CD2 3.5Å; F336-H340 WeakPolarHBondContact CZ-CD2 3.18Å; F336-H340 AromaticContact CZ-CG 3.34Å; F336-H340 AromaticContact CZ-ND1 3.7Å; F336-H340 AromaticContact CZ-NE2 3.96Å; F336-H340 PolarHBondContact O-ND1 2.78Å
341	L	96	Very high	94.4	Very high	12 Å²	12	60.4 Å²	60.4	6%	0.063	32%	0.319	C	S	.	.			trans	-77.1	131.6	173.5	-61.3	-179.2	0	0	0	109.1	L315 I319 L327 S343 S344 L382 L445 W448 F456	L315-L341 HydrophobicContact CD2-CD1 3.81Å; I319-L341 HydrophobicContact CD1-CD1 4.3Å; L327-L341 HydrophobicContact CD2-CB 4.17Å; L327-L341 HydrophobicContact CD2-CD1 4.02Å; L341-S343 PolarHBondContact O-N 2.89Å; L341-S344 WeakPolarHBondContact O-CB 3.31Å; L341-S344 PolarHBondContact O-N 3.02Å; L341-S344 PolarHBondContact O-OG 2.99Å; L341-L382 HydrophobicContact CD1-CD2 3.8Å; L341-L382 HydrophobicContact CG-CD2 4.26Å; L341-L445 HydrophobicContact CD1-CD2 4.29Å; L341-L445 HydrophobicContact CD2-CD2 4.39Å; L341-L445 HydrophobicContact CG-CD2 4.05Å; L341-W448 HydrophobicContact CD1-CD2 4.5Å; L341-W448 HydrophobicContact CD1-CE3 4.41Å; L341-W448 HydrophobicContact CD1-CZ3 4.43Å; L341-W448 HydrophobicContact CD2-CD2 4.16Å; L341-W448 HydrophobicContact CD2-CH2 4.33Å; L341-W448 HydrophobicContact CD2-CZ2 3.74Å; L341-F456 HydrophobicContact CD2-CE2 3.9Å; L341-F456 HydrophobicContact CD2-CZ 4.45Å
342	K	92.2	Very high	94.3	Very high	209 Å²	209	60.3 Å²	60.3	91%	0.909	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-30.8	-172	-173.1	177.5	178.9	-178.9	0	114.7
343	S	88.9	Confident	94.4	Very high	56 Å²	56	61.8 Å²	61.8	39%	0.392	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-1.7	179.9	66.2	0	0	0	0	114.3	Y325 L341	Y325-S343 WeakPolarHBondContact OH-CB 3.39Å; Y325-S343 PolarHBondContact OH-OG 2.96Å; L341-S343 PolarHBondContact O-N 2.89Å
344	S	95.9	Very high	94.3	Very high	14 Å²	14	62.2 Å²	62.2	10%	0.098	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	133.5	-176.5	65.5	0	0	0	0	111.8	L327 L341	L327-S344 CarbonylContact O-C 3.56Å; L327-S344 WeakPolarHBondContact O-CA 3.43Å; L341-S344 WeakPolarHBondContact O-CB 3.31Å; L341-S344 PolarHBondContact O-N 3.02Å; L341-S344 PolarHBondContact O-OG 2.99Å
345	M	96.9	Very high	94.3	Very high	49 Å²	49	61.5 Å²	61.5	24%	0.241	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	129.3	165.7	-175.7	178.3	176.7	0	0	109.3	L326 L327 I328 D329 I347 E360 L364	L326-M345 HydrophobicContact CD1-SD 4.31Å; L327-M345 PolarHBondContact O-N 2.81Å; I328-M345 CarbonylContact C-O 3.16Å; I328-M345 WeakPolarHBondContact CA-O 3.5Å; D329-M345 PolarHBondContact N-O 2.85Å; M345-I347 HydrophobicContact CE-CD1 3.64Å; M345-I347 HydrophobicContact CE-CG1 4.01Å; M345-I347 HydrophobicContact CG-CD1 4.24Å; M345-I347 HydrophobicContact CG-CG1 4.08Å; M345-I347 HydrophobicContact SD-CD1 3.88Å; M345-I347 HydrophobicContact SD-CG1 4.35Å; M345-E360 WeakPolarHBondContact CE-OE1 3.48Å; M345-L364 HydrophobicContact CE-CD1 4.27Å; M345-L364 HydrophobicContact SD-CD1 3.83Å
346	H	98.1	Very high	94.3	Very high	57 Å²	57	64 Å²	64	26%	0.264	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	116.7	179	-177.5	-126.8	0	0	0	111.1	R331 F336 P348	R331-H346 PolarHBondContact O-NE2 3.48Å; F336-H346 HydrophobicContact CD1-CB 4.23Å; F336-H346 HydrophobicContact CD2-CB 3.86Å; F336-H346 AromaticContact CD2-CD2 3.47Å; F336-H346 VanDerWaalsContact CD2-CD2 3.47Å; F336-H346 WeakPolarHBondContact CD2-CD2 3.5Å; F336-H346 AromaticContact CD2-CG 3.78Å; F336-H346 HydrophobicContact CE1-CB 4.05Å; F336-H346 HydrophobicContact CE2-CB 3.66Å; F336-H346 HydrophobicContact CG-CB 4.14Å; F336-H346 AromaticContact CG-CD2 3.55Å; F336-H346 AromaticContact CG-CG 3.74Å; F336-H346 HydrophobicContact CZ-CB 3.77Å; H346-P348 VanDerWaalsContact CE1-CG 3.5Å; H346-P348 WeakPolarHBondContact CE1-CG 3.47Å
347	I	97.7	Very high	94.3	Very high	10 Å²	10	63.4 Å²	63.4	5%	0.051	33%	0.33	C	S	.	.			trans	-142.2	94.2	174.2	-51.9	178.1	0	0	0	108.3	I328 D329 V330 M345 L352 V357 I361	I328-I347 HydrophobicContact CD1-CD1 4.3Å; I328-I347 HydrophobicContact CG2-CB 3.73Å; I328-I347 HydrophobicContact CG2-CD1 3.85Å; I328-I347 HydrophobicContact CG2-CG1 3.91Å; D329-I347 CarbonylContact O-C 3.58Å; D329-I347 PolarHBondContact O-N 3.07Å; V330-I347 VanDerWaalsContact CA-O 3.29Å; V330-I347 WeakPolarHBondContact CA-O 3.23Å; M345-I347 HydrophobicContact CE-CD1 3.64Å; M345-I347 HydrophobicContact CE-CG1 4.01Å; M345-I347 HydrophobicContact CG-CD1 4.24Å; M345-I347 HydrophobicContact CG-CG1 4.08Å; M345-I347 HydrophobicContact SD-CD1 3.88Å; M345-I347 HydrophobicContact SD-CG1 4.35Å; I347-L352 HydrophobicContact CB-CD1 4.44Å; I347-L352 HydrophobicContact CG2-CB 4.22Å; I347-L352 HydrophobicContact CG2-CD1 3.9Å; I347-V357 HydrophobicContact CD1-CG1 4.03Å; I347-V357 HydrophobicContact CG2-CG1 3.62Å; I347-I361 HydrophobicContact CD1-CD1 3.84Å; I347-I361 HydrophobicContact CD1-CG1 3.96Å
348	P	96.1	Very high	94.3	Very high	16 Å²	16	59.5 Å²	59.5	10%	0.104	31%	0.309	C	S	.	.			trans	-52.3	144.4	178.8	-25	32.4	0	0	0	112.3	H346 S350 E351 L352	H346-P348 VanDerWaalsContact CE1-CG 3.5Å; H346-P348 WeakPolarHBondContact CE1-CG 3.47Å; P348-S350 PolarHBondContact O-N 3.46Å; P348-E351 PolarHBondContact O-N 3.28Å; P348-L352 PolarHBondContact O-N 3.47Å
349	V	93.1	Very high	94.4	Very high	55 Å²	55	57.9 Å²	57.9	33%	0.333	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-28.9	179.2	71.1	0	0	0	0	113.5	V330 E351 F353 A392	V330-V349 HydrophobicContact CB-CB 4.35Å; V330-V349 PolarHBondContact O-N 3.33Å; V349-E351 PolarHBondContact O-N 3.28Å; V349-F353 HydrophobicContact CG2-CE2 4.43Å; V349-A392 HydrophobicContact CG2-CB 4.32Å
350	S	89.5	Confident	94.4	Very high	95 Å²	95	61.7 Å²	61.7	66%	0.664	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-16.6	176.1	52.3	0	0	0	0	114.6	P348	P348-S350 PolarHBondContact O-N 3.46Å
351	E	93.8	Very high	94.4	Very high	72 Å²	72	57.6 Å²	57.6	34%	0.336	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-19.5	-178	-53.4	-167.1	-147.5	0	0	112.2	P348 V349 F353 R354	P348-E351 PolarHBondContact O-N 3.28Å; V349-E351 PolarHBondContact O-N 3.28Å; E351-F353 PolarHBondContact O-N 2.85Å; E351-F353 VanDerWaalsContact O-N 3.09Å; E351-R354 WeakPolarHBondContact O-CB 3.41Å; E351-R354 WeakPolarHBondContact O-CG 3.29Å; E351-R354 PolarHBondContact O-N 3.42Å; E351-R354 IonicContact OE2-CZ 2.89Å; E351-R354 IonicContact OE2-NH1 2.83Å; E351-R354 PolarHBondContact OE2-NH1 3.24Å; E351-R354 IonicContact OE2-NH2 3.21Å
352	L	94.3	Very high	94.4	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-35.8	-174.8	-175.7	64.3	0	0	0	114.1	I328 V330 I347 P348 I361 L381 A392 L396	I328-L352 HydrophobicContact CG2-CD1 4.42Å; V330-L352 HydrophobicContact CG1-CD2 4.15Å; I347-L352 HydrophobicContact CB-CD1 4.44Å; I347-L352 HydrophobicContact CG2-CB 4.22Å; I347-L352 HydrophobicContact CG2-CD1 3.9Å; P348-L352 PolarHBondContact O-N 3.47Å; L352-I361 HydrophobicContact CD1-CD1 3.99Å; L352-L381 HydrophobicContact CD2-CD2 4.05Å; L352-A392 HydrophobicContact CD2-CB 3.96Å; L352-L396 HydrophobicContact CD1-CD1 4.23Å; L352-L396 HydrophobicContact CD1-CD2 4.28Å; L352-L396 HydrophobicContact CG-CD1 4.35Å
353	F	93.3	Very high	94.5	Very high	81 Å²	81	55.3 Å²	55.3	36%	0.355	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	15	-175.2	-56.8	-70.7	0	0	0	114.2	V349 E351 A392 L395 L396	V349-F353 HydrophobicContact CG2-CE2 4.43Å; E351-F353 PolarHBondContact O-N 2.85Å; E351-F353 VanDerWaalsContact O-N 3.09Å; F353-A392 HydrophobicContact CZ-CB 4.35Å; F353-L395 HydrophobicContact CE1-CB 3.59Å; F353-L395 HydrophobicContact CZ-CB 3.64Å; F353-L395 HydrophobicContact CZ-CD1 4.1Å; F353-L396 HydrophobicContact CE1-CB 4.37Å
354	R	92.4	Very high	94.8	Very high	129 Å²	129	55.6 Å²	55.6	49%	0.487	29%	0.291	S	S	.	.	S	Bend	trans	-74.3	137.9	170.7	-68	177.3	178.1	162.7	4.4	109.8	E351 S356 V357 I358	E351-R354 WeakPolarHBondContact O-CB 3.41Å; E351-R354 WeakPolarHBondContact O-CG 3.29Å; E351-R354 PolarHBondContact O-N 3.42Å; E351-R354 IonicContact OE2-CZ 2.89Å; E351-R354 IonicContact OE2-NH1 2.83Å; E351-R354 PolarHBondContact OE2-NH1 3.24Å; E351-R354 IonicContact OE2-NH2 3.21Å; R354-S356 PolarHBondContact O-N 3.38Å; R354-S356 VanDerWaalsContact O-N 3.13Å; R354-V357 HydrophobicContact CB-CB 4.31Å; R354-V357 HydrophobicContact CB-CG2 4.05Å; R354-V357 WeakPolarHBondContact O-CA 3.33Å; R354-V357 WeakPolarHBondContact O-CB 3.43Å; R354-V357 PolarHBondContact O-N 3.38Å; R354-I358 WeakPolarHBondContact O-CG1 3.42Å; R354-I358 PolarHBondContact O-N 3.43Å
355	D	92.5	Very high	94.7	Very high	93 Å²	93	54.9 Å²	54.9	50%	0.497	29%	0.286	S	S	.	.	H	α-helix	trans	-52.8	-39.8	-178.6	-65.3	-27.7	0	0	0	113.3	V357 S359	D355-V357 VanDerWaalsContact C-N 3.34Å; D355-V357 PolarHBondContact O-N 3.1Å; D355-S359 VanDerWaalsContact O-CB 3.27Å; D355-S359 WeakPolarHBondContact O-CB 3.47Å; D355-S359 PolarHBondContact O-N 3Å; D355-S359 PolarHBondContact O-OG 3.14Å
356	S	94.4	Very high	94.6	Very high	85 Å²	85	55.6 Å²	55.6	59%	0.594	29%	0.29	S	S	*	.	H	α-helix	trans	-62.9	-39.2	176.9	61.1	0	0	0	0	112.6	R354 E360	R354-S356 PolarHBondContact O-N 3.38Å; R354-S356 VanDerWaalsContact O-N 3.13Å; S356-E360 WeakPolarHBondContact O-CB 3.42Å; S356-E360 PolarHBondContact O-N 3.14Å
357	V	95.5	Very high	94.4	Very high	15 Å²	15	55.2 Å²	55.2	9%	0.091	29%	0.292	C	S	.	.	H	α-helix	trans	-73.5	-44.6	-179.4	173.8	0	0	0	0	110.4	I347 R354 D355 S359 E360 I361	I347-V357 HydrophobicContact CD1-CG1 4.03Å; I347-V357 HydrophobicContact CG2-CG1 3.62Å; R354-V357 HydrophobicContact CB-CB 4.31Å; R354-V357 HydrophobicContact CB-CG2 4.05Å; R354-V357 WeakPolarHBondContact O-CA 3.33Å; R354-V357 WeakPolarHBondContact O-CB 3.43Å; R354-V357 PolarHBondContact O-N 3.38Å; D355-V357 VanDerWaalsContact C-N 3.34Å; D355-V357 PolarHBondContact O-N 3.1Å; V357-S359 VanDerWaalsContact C-N 3.27Å; V357-S359 PolarHBondContact O-N 2.78Å; V357-E360 PolarHBondContact O-N 2.78Å; V357-I361 HydrophobicContact CG1-CD1 3.94Å; V357-I361 HydrophobicContact CG1-CG1 4.5Å; V357-I361 VanDerWaalsContact O-CG1 3.3Å; V357-I361 WeakPolarHBondContact O-CG1 3.38Å; V357-I361 PolarHBondContact O-N 3.4Å
358	I	95.1	Very high	94.2	Very high	13 Å²	13	57.6 Å²	57.6	7%	0.067	30%	0.303	C	S	.	.	H	α-helix	trans	-62.4	-40.4	176.9	-54.2	164.6	0	0	0	109.7	R354 I361 R362 A399 L400 L403	R354-I358 WeakPolarHBondContact O-CG1 3.42Å; R354-I358 PolarHBondContact O-N 3.43Å; I358-I361 PolarHBondContact O-N 3.38Å; I358-R362 WeakPolarHBondContact O-CB 3.37Å; I358-R362 PolarHBondContact O-N 2.96Å; I358-A399 HydrophobicContact CD1-CB 4.01Å; I358-A399 HydrophobicContact CG2-CB 4.33Å; I358-L400 HydrophobicContact CG2-CD2 3.76Å; I358-L400 HydrophobicContact CG2-CG 4.28Å; I358-L403 HydrophobicContact CB-CD1 4.05Å; I358-L403 HydrophobicContact CG2-CD1 3.3Å; I358-L403 HydrophobicContact CG2-CG 4.26Å
359	S	95	Very high	94	Very high	56 Å²	56	58.7 Å²	58.7	39%	0.392	31%	0.308	S	S	.	.	H	α-helix	trans	-63.4	-42.3	175.6	-59.6	0	0	0	0	112.4	D355 V357 R362 Q363	D355-S359 VanDerWaalsContact O-CB 3.27Å; D355-S359 WeakPolarHBondContact O-CB 3.47Å; D355-S359 PolarHBondContact O-N 3Å; D355-S359 PolarHBondContact O-OG 3.14Å; V357-S359 VanDerWaalsContact C-N 3.27Å; V357-S359 PolarHBondContact O-N 2.78Å; S359-R362 PolarHBondContact O-N 3.14Å; S359-Q363 WeakPolarHBondContact O-CB 3.46Å; S359-Q363 PolarHBondContact O-N 3.02Å
360	E	95.9	Very high	94	Very high	93 Å²	93	60.8 Å²	60.8	44%	0.435	33%	0.325	S	S	.	.	H	α-helix	trans	-62.9	-47.8	175.6	-176.9	-178.7	179.4	0	0	111.7	M345 S356 V357 R362 Q363 L364	M345-E360 WeakPolarHBondContact CE-OE1 3.48Å; S356-E360 WeakPolarHBondContact O-CB 3.42Å; S356-E360 PolarHBondContact O-N 3.14Å; V357-E360 PolarHBondContact O-N 2.78Å; E360-R362 VanDerWaalsContact C-N 3.27Å; E360-R362 PolarHBondContact O-N 2.86Å; E360-Q363 PolarHBondContact O-N 3.4Å; E360-L364 HydrophobicContact CG-CD1 4.49Å; E360-L364 WeakPolarHBondContact O-CG 3.36Å; E360-L364 PolarHBondContact O-N 2.99Å
361	I	96.5	Very high	94.1	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-57.5	-44.6	175.7	-67.8	166.5	0	0	0	110	L326 I328 I347 L352 V357 I358 L364 I365 L396 L400	L326-I361 HydrophobicContact CD2-CG2 3.96Å; I328-I361 HydrophobicContact CD1-CD1 3.84Å; I328-I361 HydrophobicContact CD1-CG1 4.11Å; I328-I361 HydrophobicContact CD1-CG2 4.38Å; I347-I361 HydrophobicContact CD1-CD1 3.84Å; I347-I361 HydrophobicContact CD1-CG1 3.96Å; L352-I361 HydrophobicContact CD1-CD1 3.99Å; V357-I361 HydrophobicContact CG1-CD1 3.94Å; V357-I361 HydrophobicContact CG1-CG1 4.5Å; V357-I361 VanDerWaalsContact O-CG1 3.3Å; V357-I361 WeakPolarHBondContact O-CG1 3.38Å; V357-I361 PolarHBondContact O-N 3.4Å; I358-I361 PolarHBondContact O-N 3.38Å; I361-L364 WeakPolarHBondContact O-CB 3.25Å; I361-L364 PolarHBondContact O-N 3.27Å; I361-I365 HydrophobicContact CG2-CD1 3.99Å; I361-I365 VanDerWaalsContact O-CG1 3.31Å; I361-I365 WeakPolarHBondContact O-CG1 3.47Å; I361-I365 PolarHBondContact O-N 3.39Å; I361-L396 HydrophobicContact CD1-CD1 4.17Å; I361-L400 HydrophobicContact CB-CD2 4.29Å; I361-L400 HydrophobicContact CG2-CD1 4.11Å; I361-L400 HydrophobicContact CG2-CD2 3.88Å
362	R	94.9	Very high	93.9	Very high	40 Å²	40	63.2 Å²	63.2	15%	0.151	34%	0.341	C	S	.	.	H	α-helix	trans	-62.3	-45.8	178.2	179.9	55.9	-176.8	-79.2	-8.1	112	I358 S359 E360 L364 I365 D366 L400 L403	I358-R362 WeakPolarHBondContact O-CB 3.37Å; I358-R362 PolarHBondContact O-N 2.96Å; S359-R362 PolarHBondContact O-N 3.14Å; E360-R362 VanDerWaalsContact C-N 3.27Å; E360-R362 PolarHBondContact O-N 2.86Å; R362-L364 VanDerWaalsContact C-N 3.27Å; R362-L364 PolarHBondContact O-N 3.17Å; R362-I365 WeakPolarHBondContact O-CB 3.24Å; R362-I365 PolarHBondContact O-N 3.48Å; R362-D366 IonicContact CZ-OD1 3.88Å; R362-D366 IonicContact NE-OD1 2.69Å; R362-D366 PolarHBondContact NE-OD1 3.36Å; R362-D366 IonicContact NE-OD2 2.96Å; R362-D366 PolarHBondContact NE-OD2 2.71Å; R362-D366 IonicContact NH2-OD1 3.14Å; R362-D366 PolarHBondContact O-N 3.33Å; R362-L400 HydrophobicContact CB-CD2 4.08Å; R362-L400 PolarHBondContact NH1-O 3.21Å; R362-L403 HydrophobicContact CB-CD1 4.43Å
363	Q	94.8	Very high	93.7	Very high	133 Å²	133	63.7 Å²	63.7	62%	0.621	35%	0.345	S	S	*	.	H	α-helix	trans	-59.9	-38.8	176.9	-173.7	-179.6	10.6	0	0	111.8	S359 E360 T367	S359-Q363 WeakPolarHBondContact O-CB 3.46Å; S359-Q363 PolarHBondContact O-N 3.02Å; E360-Q363 PolarHBondContact O-N 3.4Å; Q363-T367 VanDerWaalsContact O-CB 3.28Å; Q363-T367 WeakPolarHBondContact O-CB 3.45Å; Q363-T367 PolarHBondContact O-N 2.72Å; Q363-T367 PolarHBondContact O-OG1 3.33Å
364	L	95	Very high	93.5	Very high	61 Å²	61	64.2 Å²	64.2	32%	0.319	35%	0.354	S	S	.	.	H	α-helix	trans	-63.8	-44.3	175.2	-71.3	172.1	0	0	0	111.8	L326 M345 E360 I361 R362 T367 Q368	L326-L364 HydrophobicContact CD1-CD1 4.42Å; M345-L364 HydrophobicContact CE-CD1 4.27Å; M345-L364 HydrophobicContact SD-CD1 3.83Å; E360-L364 HydrophobicContact CG-CD1 4.49Å; E360-L364 WeakPolarHBondContact O-CG 3.36Å; E360-L364 PolarHBondContact O-N 2.99Å; I361-L364 WeakPolarHBondContact O-CB 3.25Å; I361-L364 PolarHBondContact O-N 3.27Å; R362-L364 VanDerWaalsContact C-N 3.27Å; R362-L364 PolarHBondContact O-N 3.17Å; L364-T367 PolarHBondContact O-N 2.89Å; L364-Q368 WeakPolarHBondContact O-CG 3.38Å; L364-Q368 PolarHBondContact O-N 3.03Å
365	I	94.9	Very high	93.5	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-58.5	-53.6	175.4	-65.5	164	0	0	0	110	I361 R362 T367 Q368 I369 F377 V379 L400 F436	I361-I365 HydrophobicContact CG2-CD1 3.99Å; I361-I365 VanDerWaalsContact O-CG1 3.31Å; I361-I365 WeakPolarHBondContact O-CG1 3.47Å; I361-I365 PolarHBondContact O-N 3.39Å; R362-I365 WeakPolarHBondContact O-CB 3.24Å; R362-I365 PolarHBondContact O-N 3.48Å; I365-T367 VanDerWaalsContact C-N 3.25Å; I365-T367 PolarHBondContact O-N 3.3Å; I365-Q368 PolarHBondContact O-N 2.84Å; I365-Q368 VanDerWaalsContact O-N 3.07Å; I365-I369 HydrophobicContact CG2-CD1 3.69Å; I365-I369 HydrophobicContact CG2-CG1 4.36Å; I365-I369 WeakPolarHBondContact O-CG1 3.25Å; I365-I369 PolarHBondContact O-N 2.81Å; I365-F377 HydrophobicContact CB-CD1 4.25Å; I365-F377 HydrophobicContact CB-CE1 4.45Å; I365-F377 HydrophobicContact CG1-CD1 3.96Å; I365-F377 HydrophobicContact CG1-CE1 3.99Å; I365-F377 HydrophobicContact CG2-CD1 3.94Å; I365-V379 HydrophobicContact CD1-CG2 3.68Å; I365-V379 HydrophobicContact CG1-CG2 3.84Å; I365-L400 HydrophobicContact CD1-CD1 4.01Å; I365-L400 HydrophobicContact CD1-CD2 4.38Å; I365-F436 HydrophobicContact CD1-CD2 4.44Å; I365-F436 HydrophobicContact CD1-CG 4.35Å; I365-F436 HydrophobicContact CG2-CB 4.02Å; I365-F436 HydrophobicContact CG2-CD1 4.22Å; I365-F436 HydrophobicContact CG2-CG 4.32Å
366	D	93.9	Very high	93.5	Very high	63 Å²	63	60.9 Å²	60.9	34%	0.337	35%	0.349	S	S	.	.	H	α-helix	trans	-61.2	-36.4	-178	-64.5	-17.5	0	0	0	111.4	R362 S370	R362-D366 IonicContact CZ-OD1 3.88Å; R362-D366 IonicContact NE-OD1 2.69Å; R362-D366 PolarHBondContact NE-OD1 3.36Å; R362-D366 IonicContact NE-OD2 2.96Å; R362-D366 PolarHBondContact NE-OD2 2.71Å; R362-D366 IonicContact NH2-OD1 3.14Å; R362-D366 PolarHBondContact O-N 3.33Å; D366-S370 WeakPolarHBondContact O-CB 3.36Å; D366-S370 PolarHBondContact O-N 3.07Å; D366-S370 PolarHBondContact O-OG 2.98Å
367	T	94.8	Very high	93.5	Very high	50 Å²	50	56.9 Å²	56.9	31%	0.307	32%	0.321	S	S	.	.	H	α-helix	trans	-65.8	-38.7	175.4	-60.4	0	0	0	0	112.4	Q363 L364 I365 S370 K371	Q363-T367 VanDerWaalsContact O-CB 3.28Å; Q363-T367 WeakPolarHBondContact O-CB 3.45Å; Q363-T367 PolarHBondContact O-N 2.72Å; Q363-T367 PolarHBondContact O-OG1 3.33Å; L364-T367 PolarHBondContact O-N 2.89Å; I365-T367 VanDerWaalsContact C-N 3.25Å; I365-T367 PolarHBondContact O-N 3.3Å; T367-S370 WeakPolarHBondContact CA-OG 3.41Å; T367-S370 PolarHBondContact O-OG 3.46Å; T367-K371 HydrophobicContact CG2-CD 4.4Å; T367-K371 VanDerWaalsContact O-CG 3.28Å; T367-K371 WeakPolarHBondContact O-CG 3.18Å; T367-K371 PolarHBondContact O-N 3.49Å
368	Q	93.2	Very high	93.5	Very high	59 Å²	59	56.5 Å²	56.5	28%	0.276	32%	0.319	S	S	.	.	H	α-helix	trans	-74.5	-39.9	178.2	-66.6	-61.1	-23.4	0	0	111.6	L364 I365 S370 K371 G372 A373 F377	L364-Q368 WeakPolarHBondContact O-CG 3.38Å; L364-Q368 PolarHBondContact O-N 3.03Å; I365-Q368 PolarHBondContact O-N 2.84Å; I365-Q368 VanDerWaalsContact O-N 3.07Å; Q368-S370 PolarHBondContact O-N 2.82Å; Q368-K371 PolarHBondContact O-N 2.8Å; Q368-K371 VanDerWaalsContact O-N 3.16Å; Q368-G372 PolarHBondContact O-N 3.01Å; Q368-A373 HydrophobicContact CB-CB 4.17Å; Q368-A373 WeakPolarHBondContact O-CB 3.28Å; Q368-A373 PolarHBondContact O-N 3.03Å; Q368-F377 HydrophobicContact CB-CD2 3.98Å; Q368-F377 HydrophobicContact CB-CE2 3.44Å; Q368-F377 VanDerWaalsContact CB-CE2 3.44Å; Q368-F377 HydrophobicContact CB-CZ 3.76Å; Q368-F377 HydrophobicContact CG-CE2 3.81Å; Q368-F377 HydrophobicContact CG-CZ 3.74Å
369	I	92.1	Very high	93.6	Very high	40 Å²	40	55.9 Å²	55.9	21%	0.205	32%	0.315	C	S	.	.	H	α-helix	trans	-61.7	-45	176	-67.4	176.9	0	0	0	110.7	I365 K371 G372 L375 F377 E435	I365-I369 HydrophobicContact CG2-CD1 3.69Å; I365-I369 HydrophobicContact CG2-CG1 4.36Å; I365-I369 WeakPolarHBondContact O-CG1 3.25Å; I365-I369 PolarHBondContact O-N 2.81Å; I369-K371 PolarHBondContact O-N 2.86Å; I369-G372 PolarHBondContact O-N 3.08Å; I369-L375 HydrophobicContact CD1-CD2 4.01Å; I369-L375 HydrophobicContact CG1-CD2 3.82Å; I369-L375 HydrophobicContact CG2-CD2 4.15Å; I369-F377 HydrophobicContact CD1-CB 4.22Å; I369-F377 HydrophobicContact CG1-CB 4.03Å; I369-E435 HydrophobicContact CD1-CB 3.9Å
370	S	92.1	Very high	93.7	Very high	98 Å²	98	53.2 Å²	53.2	69%	0.685	30%	0.297	S	S	*	.	H	α-helix	trans	-65.1	-24	176.5	54.3	0	0	0	0	113.9	D366 T367 Q368 G372	D366-S370 WeakPolarHBondContact O-CB 3.36Å; D366-S370 PolarHBondContact O-N 3.07Å; D366-S370 PolarHBondContact O-OG 2.98Å; T367-S370 WeakPolarHBondContact CA-OG 3.41Å; T367-S370 PolarHBondContact O-OG 3.46Å; Q368-S370 PolarHBondContact O-N 2.82Å; S370-G372 PolarHBondContact O-N 3.23Å
371	K	92.9	Very high	93.8	Very high	154 Å²	154	48.8 Å²	48.8	67%	0.67	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	3.4	171	-72.4	174.7	-177.9	178.4	0	113.8	T367 Q368 I369	T367-K371 HydrophobicContact CG2-CD 4.4Å; T367-K371 VanDerWaalsContact O-CG 3.28Å; T367-K371 WeakPolarHBondContact O-CG 3.18Å; T367-K371 PolarHBondContact O-N 3.49Å; Q368-K371 PolarHBondContact O-N 2.8Å; Q368-K371 VanDerWaalsContact O-N 3.16Å; I369-K371 PolarHBondContact O-N 2.86Å
372	G	89.7	Confident	93.9	Very high	65 Å²	65	48.8 Å²	48.8	67%	0.67	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	27.8	177.8	0	0	0	0	0	114.2	Q368 I369 S370	Q368-G372 PolarHBondContact O-N 3.01Å; I369-G372 PolarHBondContact O-N 3.08Å; S370-G372 PolarHBondContact O-N 3.23Å
373	A	89.9	Confident	93.9	Very high	10 Å²	10	47.1 Å²	47.1	8%	0.083	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-58.3	144.6	172	0	0	0	0	0	111.7	P324 Q368 L375 F377	P324-A373 HydrophobicContact CB-CB 3.87Å; P324-A373 HydrophobicContact CG-CB 4.07Å; Q368-A373 HydrophobicContact CB-CB 4.17Å; Q368-A373 WeakPolarHBondContact O-CB 3.28Å; Q368-A373 PolarHBondContact O-N 3.03Å; A373-L375 PolarHBondContact O-N 2.81Å; A373-F377 HydrophobicContact CB-CD2 3.77Å; A373-F377 HydrophobicContact CB-CE2 4.25Å
374	T	89.3	Confident	93.9	Very high	91 Å²	91	42 Å²	42	56%	0.558	25%	0.246	S	C	*	.	P	Polyproline II helix	trans	-64.3	132.5	175.9	-50.6	0	0	0	0	110.3	P376	T374-P376 CarbonylContact O-C 3.53Å
375	L	90.9	Very high	93.8	Very high	98 Å²	98	41.8 Å²	41.8	51%	0.513	24%	0.24	S	C	.	.	S	Bend	trans	-95.2	145.8	179.2	-58	-178.5	0	0	0	111.5	I369 A373 E435	I369-L375 HydrophobicContact CD1-CD2 4.01Å; I369-L375 HydrophobicContact CG1-CD2 3.82Å; I369-L375 HydrophobicContact CG2-CD2 4.15Å; A373-L375 PolarHBondContact O-N 2.81Å; L375-E435 WeakPolarHBondContact CD2-O 3.31Å
376	P	92.9	Very high	93.7	Very high	55 Å²	55	41.8 Å²	41.8	36%	0.357	24%	0.24	S	C	.	.	S	Bend	cis	-71.8	138.6	-4.9	30.7	-35.3	0	0	0	112	T374 P378 S434 I437	T374-P376 CarbonylContact O-C 3.53Å; P376-P378 WeakPolarHBondContact O-CD 3.26Å; P376-S434 WeakPolarHBondContact CB-O 3.4Å; P376-I437 HydrophobicContact CB-CB 4.45Å; P376-I437 HydrophobicContact CB-CG1 4.3Å; P376-I437 HydrophobicContact CB-CG2 3.73Å; P376-I437 HydrophobicContact CG-CD1 4.23Å; P376-I437 HydrophobicContact CG-CG1 4.19Å; P376-I437 HydrophobicContact CG-CG2 3.69Å
377	F	94.4	Very high	93.6	Very high	1 Å²	1	40.5 Å²	40.5	0%	0.004	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	124	178.7	-179.3	-102.7	0	0	0	110.9	P324 L326 I365 Q368 I369 A373 V379 E435 F436 I437	P324-F377 HydrophobicContact CB-CE2 3.91Å; P324-F377 WeakPolarHBondContact O-CE2 3.44Å; L326-F377 HydrophobicContact CB-CE1 3.8Å; L326-F377 HydrophobicContact CB-CZ 4.01Å; I365-F377 HydrophobicContact CB-CD1 4.25Å; I365-F377 HydrophobicContact CB-CE1 4.45Å; I365-F377 HydrophobicContact CG1-CD1 3.96Å; I365-F377 HydrophobicContact CG1-CE1 3.99Å; I365-F377 HydrophobicContact CG2-CD1 3.94Å; Q368-F377 HydrophobicContact CB-CD2 3.98Å; Q368-F377 HydrophobicContact CB-CE2 3.44Å; Q368-F377 VanDerWaalsContact CB-CE2 3.44Å; Q368-F377 HydrophobicContact CB-CZ 3.76Å; Q368-F377 HydrophobicContact CG-CE2 3.81Å; Q368-F377 HydrophobicContact CG-CZ 3.74Å; I369-F377 HydrophobicContact CD1-CB 4.22Å; I369-F377 HydrophobicContact CG1-CB 4.03Å; A373-F377 HydrophobicContact CB-CD2 3.77Å; A373-F377 HydrophobicContact CB-CE2 4.25Å; F377-V379 HydrophobicContact CD1-CG2 4.1Å; F377-V379 HydrophobicContact CE1-CG2 4.2Å; F377-E435 PolarHBondContact N-O 2.93Å; F377-F436 HydrophobicContact CB-CB 4.21Å; F377-F436 CarbonylContact O-C 3.52Å; F377-F436 WeakPolarHBondContact O-CA 3.4Å; F377-F436 VanDerWaalsContact O-CB 3.29Å; F377-F436 WeakPolarHBondContact O-CB 3.18Å; F377-I437 PolarHBondContact O-N 3.3Å
378	P	95.4	Very high	93.4	Very high	6 Å²	6	41.1 Å²	41.1	4%	0.039	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	121.3	-175	30.5	-33.4	0	0	0	112.8	Y318 L326 P376 I380 I437	Y318-P378 HydrophobicContact CD1-CG 4.18Å; Y318-P378 HydrophobicContact CE1-CB 4.08Å; Y318-P378 HydrophobicContact CE1-CG 3.68Å; L326-P378 PolarHBondContact N-O 2.61Å; P376-P378 WeakPolarHBondContact O-CD 3.26Å; P378-I380 HydrophobicContact CB-CD1 4.48Å; P378-I380 HydrophobicContact CB-CG1 4.35Å; P378-I437 HydrophobicContact CB-CD1 4.48Å; P378-I437 HydrophobicContact CB-CG1 4.34Å
379	V	97.1	Very high	93.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	113.3	168.1	-175.8	0	0	0	0	108.2	L326 I328 I365 F377 L381 L396 I437 V438 C439	L326-V379 HydrophobicContact CD2-CG1 4.28Å; L326-V379 CarbonylContact O-C 3.58Å; L326-V379 WeakPolarHBondContact O-CA 3.39Å; I328-V379 HydrophobicContact CD1-CG1 4.03Å; I365-V379 HydrophobicContact CD1-CG2 3.68Å; I365-V379 HydrophobicContact CG1-CG2 3.84Å; F377-V379 HydrophobicContact CD1-CG2 4.1Å; F377-V379 HydrophobicContact CE1-CG2 4.2Å; V379-L381 HydrophobicContact CG1-CD1 4.34Å; V379-L396 HydrophobicContact CG1-CD2 4.44Å; V379-I437 WeakPolarHBondContact CB-O 3.34Å; V379-I437 PolarHBondContact N-O 3.33Å; V379-V438 HydrophobicContact CB-CG2 4.26Å; V379-V438 VanDerWaalsContact O-CA 3.3Å; V379-V438 WeakPolarHBondContact O-CA 3.38Å; V379-C439 PolarHBondContact O-N 3.49Å
380	I	97.9	Very high	93.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	123.1	-168.8	-52.3	172.4	0	0	0	109	I310 L315 Y318 Y325 L326 L327 I328 P378 C439 V441	I310-I380 HydrophobicContact CD1-CD1 3.84Å; I310-I380 HydrophobicContact CD1-CG1 4.24Å; I310-I380 HydrophobicContact CD1-CG2 3.79Å; I310-I380 HydrophobicContact CG1-CG2 4.41Å; L315-I380 HydrophobicContact CD1-CD1 4.09Å; L315-I380 HydrophobicContact CD1-CG2 4.37Å; Y318-I380 HydrophobicContact CD2-CD1 3.77Å; Y318-I380 HydrophobicContact CE2-CD1 4.12Å; Y318-I380 HydrophobicContact CG-CD1 4.21Å; Y325-I380 HydrophobicContact CD2-CD1 4.39Å; L326-I380 PolarHBondContact O-N 3.1Å; L327-I380 CarbonylContact C-O 3.54Å; L327-I380 WeakPolarHBondContact CA-O 3.16Å; L327-I380 HydrophobicContact CD1-CB 3.97Å; L327-I380 HydrophobicContact CD1-CG2 3.86Å; I328-I380 PolarHBondContact N-O 2.94Å; P378-I380 HydrophobicContact CB-CD1 4.48Å; P378-I380 HydrophobicContact CB-CG1 4.35Å; I380-C439 CarbonylContact C-O 3.53Å; I380-C439 WeakPolarHBondContact CA-O 3.19Å; I380-V441 HydrophobicContact CG2-CG2 3.53Å
381	L	98.1	Very high	93.6	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	138.4	174.7	-85.2	66.5	0	0	0	111.1	I328 V330 L352 V379 A392 A393 L396 V438 C439 D440 V441	I328-L381 WeakPolarHBondContact O-CA 3.44Å; V330-L381 HydrophobicContact CG1-CD2 4.02Å; V330-L381 HydrophobicContact CG1-CG 4.04Å; L352-L381 HydrophobicContact CD2-CD2 4.05Å; V379-L381 HydrophobicContact CG1-CD1 4.34Å; L381-A392 HydrophobicContact CD2-CB 3.7Å; L381-A393 HydrophobicContact CD2-CB 4.34Å; L381-L396 HydrophobicContact CD1-CD2 3.68Å; L381-L396 HydrophobicContact CD2-CD2 4.38Å; L381-V438 HydrophobicContact CD1-CG1 3.99Å; L381-C439 PolarHBondContact N-O 2.93Å; L381-D440 HydrophobicContact CB-CB 4.13Å; L381-D440 VanDerWaalsContact O-CA 3.26Å; L381-D440 WeakPolarHBondContact O-CA 3.38Å; L381-D440 WeakPolarHBondContact O-CB 3.23Å; L381-V441 PolarHBondContact O-N 3.14Å; L381-V441 VanDerWaalsContact O-N 3.1Å
382	L	97.6	Very high	93.7	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	133.1	-178	-177.8	65	0	0	0	110.3	L327 I328 D329 V330 L341 V441 L445	L327-L382 HydrophobicContact CD1-CB 3.99Å; L327-L382 HydrophobicContact CD1-CD2 4.35Å; L327-L382 HydrophobicContact CD2-CD2 4.5Å; I328-L382 PolarHBondContact O-N 2.85Å; D329-L382 WeakPolarHBondContact CA-O 3.44Å; V330-L382 WeakPolarHBondContact CG2-O 3.06Å; V330-L382 PolarHBondContact N-O 3.06Å; L341-L382 HydrophobicContact CD1-CD2 3.8Å; L341-L382 HydrophobicContact CG-CD2 4.26Å; L382-V441 HydrophobicContact CD1-CB 3.87Å; L382-V441 HydrophobicContact CD1-CG1 4.23Å; L382-V441 HydrophobicContact CD1-CG2 3.95Å; L382-L445 HydrophobicContact CD1-CD2 4.3Å; L382-L445 HydrophobicContact CD1-CG 4.13Å; L382-L445 HydrophobicContact CD2-CD2 3.74Å; L382-L445 HydrophobicContact CD2-CG 4.01Å; L382-L445 HydrophobicContact CG-CD2 4.33Å; L382-L445 HydrophobicContact CG-CG 4.11Å
383	C	95.5	Very high	94	Very high	4 Å²	4	28.8 Å²	28.8	3%	0.027	15%	0.152	C	C	.	.			trans	-136	-176.3	164.3	81.6	0	0	0	0	110.5	V330 R331 R385 G386 N387 K388 S389 G444 L445	V330-C383 HydrophobicContact CG2-CB 3.81Å; R331-C383 HydrophobicContact CG-CB 4.12Å; C383-R385 PolarHBondContact O-N 3.12Å; C383-G386 PolarHBondContact SG-N 2.85Å; C383-N387 PolarHBondContact SG-N 2.8Å; C383-K388 HydrophobicContact CB-CB 4.21Å; C383-K388 PolarHBondContact SG-N 3.06Å; C383-S389 PolarHBondContact SG-N 3.09Å; C383-G444 WeakPolarHBondContact O-CA 3.24Å; C383-L445 PolarHBondContact O-N 3Å
384	Y	94.4	Very high	94.1	Very high	26 Å²	26	32 Å²	32	10%	0.102	17%	0.173	C	C	.	.	S	Bend	trans	-64.7	-38.8	-171.6	-176.1	-134.6	0	0	0	113.4	L445 S446 Y459	Y384-L445 HydrophobicContact CD2-CB 4.1Å; Y384-L445 PolarHBondContact O-N 3.15Å; Y384-L445 VanDerWaalsContact O-N 3.1Å; Y384-S446 WeakPolarHBondContact CE2-OG 3.41Å; Y384-S446 WeakPolarHBondContact O-CB 3.45Å; Y384-S446 PolarHBondContact O-N 3.45Å; Y384-S446 PolarHBondContact O-OG 3.25Å; Y384-Y459 AromaticContact CD1-CE2 3.97Å; Y384-Y459 HydrophobicContact CD1-CE2 3.97Å; Y384-Y459 HydrophobicContact CD2-CE1 4.03Å; Y384-Y459 HydrophobicContact CD2-CE2 4.43Å; Y384-Y459 AromaticContact CD2-CZ 3.8Å; Y384-Y459 HydrophobicContact CE1-CD2 4.14Å; Y384-Y459 AromaticContact CE1-CE2 3.95Å; Y384-Y459 HydrophobicContact CE1-CE2 3.95Å; Y384-Y459 VanDerWaalsContact CE1-O 3.32Å; Y384-Y459 WeakPolarHBondContact CE1-O 3.39Å; Y384-Y459 HydrophobicContact CE2-CD1 4.24Å; Y384-Y459 AromaticContact CE2-CE1 3.87Å; Y384-Y459 HydrophobicContact CE2-CE1 3.87Å; Y384-Y459 HydrophobicContact CE2-CE2 4.46Å; Y384-Y459 AromaticContact CE2-CZ 3.98Å; Y384-Y459 HydrophobicContact CG-CE2 4.22Å; Y384-Y459 AromaticContact CG-CZ 3.92Å; Y384-Y459 VanDerWaalsContact CZ-O 3.3Å; Y384-Y459 PolarHBondContact OH-N 2.79Å; Y384-Y459 PolarHBondContact OH-O 3.25Å
385	R	92.7	Very high	94.3	Very high	56 Å²	56	32.7 Å²	32.7	21%	0.211	17%	0.172	C	C	.	.	S	Bend	trans	-127.3	8	-173.9	-68.3	-170.7	178.2	-138	-4.2	114.9	P298 R299 N302 C383 N387 G443 S446	P298-R385 PolarHBondContact O-NH1 3.35Å; R299-R385 WeakPolarHBondContact O-CD 3.39Å; R299-R385 PolarHBondContact O-NH1 2.89Å; N302-R385 PolarHBondContact N-O 2.92Å; C383-R385 PolarHBondContact O-N 3.12Å; R385-N387 PolarHBondContact O-N 2.78Å; R385-G443 VanDerWaalsContact C-C 3.44Å; R385-G443 CarbonylContact C-O 3.57Å; R385-G443 VanDerWaalsContact CA-O 3.3Å; R385-G443 WeakPolarHBondContact CA-O 3.29Å; R385-S446 WeakPolarHBondContact CG-OG 3.41Å
386	G	93.6	Very high	94.5	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	72.8	8.2	-175.4	0	0	0	0	0	115	R309 C383 S389 A390	R309-G386 PolarHBondContact NH2-O 3.24Å; C383-G386 PolarHBondContact SG-N 2.85Å; G386-S389 WeakPolarHBondContact CA-OG 3.43Å; G386-A390 VanDerWaalsContact O-CB 3.24Å; G386-A390 WeakPolarHBondContact O-CB 3.1Å
387	N	90.5	Very high	94.6	Very high	37 Å²	37	28.5 Å²	28.5	20%	0.198	14%	0.144	C	C	.	.	H	α-helix	trans	-78.6	-60.8	179.7	-70.5	-55.8	0	0	0	111.1	N300 N302 C383 R385 S389 A390 E391	N300-N387 PolarHBondContact O-ND2 3.43Å; N302-N387 WeakPolarHBondContact CB-OD1 3.33Å; C383-N387 PolarHBondContact SG-N 2.8Å; R385-N387 PolarHBondContact O-N 2.78Å; N387-S389 VanDerWaalsContact C-N 3.33Å; N387-S389 PolarHBondContact O-N 3.18Å; N387-A390 PolarHBondContact O-N 2.85Å; N387-E391 PolarHBondContact O-N 2.93Å
388	K	91.5	Very high	94.5	Very high	63 Å²	63	29.5 Å²	29.5	27%	0.274	15%	0.152	S	C	.	.	H	α-helix	trans	-64.9	-34.4	-178.7	-64.1	177.5	-179.6	168.7	0	112.9	E211 C383 A392	E211-K388 VanDerWaalsContact OE1-CE 3.28Å; E211-K388 WeakPolarHBondContact OE1-CE 3.48Å; E211-K388 IonicContact OE1-NZ 3.92Å; E211-K388 PolarHBondContact OE1-NZ 3Å; C383-K388 HydrophobicContact CB-CB 4.21Å; C383-K388 PolarHBondContact SG-N 3.06Å; K388-A392 VanDerWaalsContact O-CB 3.28Å; K388-A392 WeakPolarHBondContact O-CB 3.43Å; K388-A392 PolarHBondContact O-N 3.27Å
389	S	95.5	Very high	94.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-71.8	-37.1	-179.5	59.3	0	0	0	0	112.1	C383 G386 N387 E391 A392 A393 D440	C383-S389 PolarHBondContact SG-N 3.09Å; G386-S389 WeakPolarHBondContact CA-OG 3.43Å; N387-S389 VanDerWaalsContact C-N 3.33Å; N387-S389 PolarHBondContact O-N 3.18Å; S389-E391 VanDerWaalsContact C-N 3.34Å; S389-E391 PolarHBondContact O-N 2.99Å; S389-A392 PolarHBondContact O-N 3.23Å; S389-A393 WeakPolarHBondContact O-CB 3.3Å; S389-A393 PolarHBondContact O-N 3.46Å; S389-D440 PolarHBondContact OG-OD2 3.14Å
390	A	94.7	Very high	94.1	Very high	23 Å²	23	30.3 Å²	30.3	19%	0.19	16%	0.158	C	C	.	.	H	α-helix	trans	-65.4	-35.9	176	0	0	0	0	0	112.8	G386 N387 P394 D440	G386-A390 VanDerWaalsContact O-CB 3.24Å; G386-A390 WeakPolarHBondContact O-CB 3.1Å; N387-A390 PolarHBondContact O-N 2.85Å; A390-P394 WeakPolarHBondContact O-CD 3.4Å; A390-D440 WeakPolarHBondContact CA-OD2 3.49Å; A390-D440 PolarHBondContact N-OD2 2.69Å; A390-D440 VanDerWaalsContact N-OD2 3.14Å
391	E	91.5	Very high	93.8	Very high	128 Å²	128	33.1 Å²	33.1	60%	0.598	17%	0.173	S	C	*	.	H	α-helix	trans	-72.7	-38.7	174.2	-68.3	175.3	-169	0	0	111.6	N387 S389	N387-E391 PolarHBondContact O-N 2.93Å; S389-E391 VanDerWaalsContact C-N 3.34Å; S389-E391 PolarHBondContact O-N 2.99Å
392	A	94.2	Very high	93.2	Very high	2 Å²	2	35.5 Å²	35.5	2%	0.017	19%	0.19	C	C	.	.	H	α-helix	trans	-78.6	-34.1	-174.8	0	0	0	0	0	114.4	V349 L352 F353 L381 K388 S389 L395 L396	V349-A392 HydrophobicContact CG2-CB 4.32Å; L352-A392 HydrophobicContact CD2-CB 3.96Å; F353-A392 HydrophobicContact CZ-CB 4.35Å; L381-A392 HydrophobicContact CD2-CB 3.7Å; K388-A392 VanDerWaalsContact O-CB 3.28Å; K388-A392 WeakPolarHBondContact O-CB 3.43Å; K388-A392 PolarHBondContact O-N 3.27Å; S389-A392 PolarHBondContact O-N 3.23Å; A392-L395 PolarHBondContact O-N 3.13Å; A392-L396 PolarHBondContact O-N 3.37Å
393	A	95.9	Very high	92.2	Very high	3 Å²	3	37.6 Å²	37.6	3%	0.025	20%	0.201	C	C	.	.	H	α-helix	trans	-56.5	-50.4	-176.5	0	0	0	0	0	114.7	L381 S389 L395 L396 K397 V438 D440	L381-A393 HydrophobicContact CD2-CB 4.34Å; S389-A393 WeakPolarHBondContact O-CB 3.3Å; S389-A393 PolarHBondContact O-N 3.46Å; A393-L395 VanDerWaalsContact C-N 3.32Å; A393-L395 PolarHBondContact O-N 2.72Å; A393-L396 PolarHBondContact O-N 3.03Å; A393-K397 PolarHBondContact O-N 2.9Å; A393-V438 HydrophobicContact CB-CG1 4.16Å; A393-V438 WeakPolarHBondContact O-CG1 3.44Å; A393-D440 HydrophobicContact CB-CB 4.12Å
394	P	93.3	Very high	90.3	Very high	78 Å²	78	42.5 Å²	42.5	51%	0.506	22%	0.219	S	C	.	.	H	α-helix	trans	-65	-35.8	178.2	24.6	-33.6	0	0	0	112.6	A390 K397 S398	A390-P394 WeakPolarHBondContact O-CD 3.4Å; P394-K397 WeakPolarHBondContact O-CB 3.42Å; P394-K397 PolarHBondContact O-N 3.36Å; P394-S398 PolarHBondContact O-N 2.94Å; P394-S398 VanDerWaalsContact O-N 3.1Å
395	L	93.5	Very high	87.7	Confident	105 Å²	105	45.9 Å²	45.9	55%	0.55	25%	0.245	S	C	.	.	H	α-helix	trans	-66.4	-42.9	176.9	-62.7	176.9	0	0	0	111.4	F353 A392 A393 K397 S398 A399	F353-L395 HydrophobicContact CE1-CB 3.59Å; F353-L395 HydrophobicContact CZ-CB 3.64Å; F353-L395 HydrophobicContact CZ-CD1 4.1Å; A392-L395 PolarHBondContact O-N 3.13Å; A393-L395 VanDerWaalsContact C-N 3.32Å; A393-L395 PolarHBondContact O-N 2.72Å; L395-K397 VanDerWaalsContact C-N 3.33Å; L395-K397 PolarHBondContact O-N 2.94Å; L395-S398 PolarHBondContact O-N 2.97Å; L395-A399 WeakPolarHBondContact O-CB 3.4Å; L395-A399 PolarHBondContact O-N 3.35Å
396	L	94.7	Very high	85.1	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65.2	-39.1	176.8	-178.4	66.3	0	0	0	111.1	I328 L352 F353 I361 V379 L381 A392 A393 A399 L400 V438	I328-L396 HydrophobicContact CD1-CD2 4.36Å; L352-L396 HydrophobicContact CD1-CD1 4.23Å; L352-L396 HydrophobicContact CD1-CD2 4.28Å; L352-L396 HydrophobicContact CG-CD1 4.35Å; F353-L396 HydrophobicContact CE1-CB 4.37Å; I361-L396 HydrophobicContact CD1-CD1 4.17Å; V379-L396 HydrophobicContact CG1-CD2 4.44Å; L381-L396 HydrophobicContact CD1-CD2 3.68Å; L381-L396 HydrophobicContact CD2-CD2 4.38Å; A392-L396 PolarHBondContact O-N 3.37Å; A393-L396 PolarHBondContact O-N 3.03Å; L396-A399 PolarHBondContact O-N 2.93Å; L396-L400 HydrophobicContact CD1-CD1 4.21Å; L396-L400 HydrophobicContact CD1-CG 4.14Å; L396-L400 HydrophobicContact CD2-CD1 4.31Å; L396-L400 HydrophobicContact CG-CD1 3.85Å; L396-L400 HydrophobicContact CG-CG 4.24Å; L396-L400 WeakPolarHBondContact O-CB 3.41Å; L396-L400 WeakPolarHBondContact O-CG 3.48Å; L396-L400 PolarHBondContact O-N 3.45Å; L396-V438 HydrophobicContact CB-CG1 4.49Å; L396-V438 HydrophobicContact CD2-CG1 4.3Å
397	K	94.7	Very high	82.3	Confident	65 Å²	65	54.3 Å²	54.3	28%	0.283	30%	0.299	S	S	.	.	H	α-helix	trans	-56.3	-51.7	174.5	-170.4	179.9	177.4	-176.2	0	111.2	H308 A393 P394 L395 A399 L400 L401 V438	H308-K397 PolarHBondContact NE2-NZ 3.45Å; H308-K397 VanDerWaalsContact NE2-NZ 3.18Å; A393-K397 PolarHBondContact O-N 2.9Å; P394-K397 WeakPolarHBondContact O-CB 3.42Å; P394-K397 PolarHBondContact O-N 3.36Å; L395-K397 VanDerWaalsContact C-N 3.33Å; L395-K397 PolarHBondContact O-N 2.94Å; K397-A399 VanDerWaalsContact C-N 3.34Å; K397-A399 PolarHBondContact O-N 3.01Å; K397-L400 PolarHBondContact O-N 2.9Å; K397-L401 HydrophobicContact CG-CD1 4.16Å; K397-L401 WeakPolarHBondContact O-CB 3.41Å; K397-L401 VanDerWaalsContact O-CG 3.29Å; K397-L401 WeakPolarHBondContact O-CG 3.48Å; K397-L401 PolarHBondContact O-N 3.27Å; K397-V438 HydrophobicContact CB-CB 3.96Å; K397-V438 HydrophobicContact CB-CG2 3.94Å; K397-V438 HydrophobicContact CG-CB 4.35Å; K397-V438 HydrophobicContact CG-CG2 4.18Å
398	S	92.3	Very high	79.6	Confident	23 Å²	23	56.9 Å²	56.9	16%	0.161	32%	0.32	C	S	.	.	H	α-helix	trans	-62.1	-40.7	179.2	-173.8	0	0	0	0	111.7	P394 L395 L401 S402 E423	P394-S398 PolarHBondContact O-N 2.94Å; P394-S398 VanDerWaalsContact O-N 3.1Å; L395-S398 PolarHBondContact O-N 2.97Å; S398-L401 PolarHBondContact O-N 3.4Å; S398-S402 WeakPolarHBondContact O-CB 3.27Å; S398-S402 PolarHBondContact O-N 3.16Å; S398-S402 PolarHBondContact O-OG 3.07Å; S398-E423 WeakPolarHBondContact CB-OE2 3.3Å; S398-E423 PolarHBondContact OG-OE2 3.36Å
399	A	91.7	Very high	76.8	Confident	22 Å²	22	61.1 Å²	61.1	18%	0.182	35%	0.345	C	S	.	.	H	α-helix	trans	-63.6	-44.9	176.6	0	0	0	0	0	113.2	I358 L395 L396 K397 S402 L403	I358-A399 HydrophobicContact CD1-CB 4.01Å; I358-A399 HydrophobicContact CG2-CB 4.33Å; L395-A399 WeakPolarHBondContact O-CB 3.4Å; L395-A399 PolarHBondContact O-N 3.35Å; L396-A399 PolarHBondContact O-N 2.93Å; K397-A399 VanDerWaalsContact C-N 3.34Å; K397-A399 PolarHBondContact O-N 3.01Å; A399-S402 PolarHBondContact O-N 3.49Å; A399-L403 PolarHBondContact O-N 3.41Å
400	L	93.3	Very high	74	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-66.7	-35.4	177.8	-72.9	170	0	0	0	112.7	I358 I361 R362 I365 L396 K397 F436 V438	I358-L400 HydrophobicContact CG2-CD2 3.76Å; I358-L400 HydrophobicContact CG2-CG 4.28Å; I361-L400 HydrophobicContact CB-CD2 4.29Å; I361-L400 HydrophobicContact CG2-CD1 4.11Å; I361-L400 HydrophobicContact CG2-CD2 3.88Å; R362-L400 HydrophobicContact CB-CD2 4.08Å; R362-L400 PolarHBondContact NH1-O 3.21Å; I365-L400 HydrophobicContact CD1-CD1 4.01Å; I365-L400 HydrophobicContact CD1-CD2 4.38Å; L396-L400 HydrophobicContact CD1-CD1 4.21Å; L396-L400 HydrophobicContact CD1-CG 4.14Å; L396-L400 HydrophobicContact CD2-CD1 4.31Å; L396-L400 HydrophobicContact CG-CD1 3.85Å; L396-L400 HydrophobicContact CG-CG 4.24Å; L396-L400 WeakPolarHBondContact O-CB 3.41Å; L396-L400 WeakPolarHBondContact O-CG 3.48Å; L396-L400 PolarHBondContact O-N 3.45Å; K397-L400 PolarHBondContact O-N 2.9Å; L400-F436 HydrophobicContact CB-CE2 3.95Å; L400-F436 HydrophobicContact CB-CZ 3.7Å; L400-F436 HydrophobicContact CD1-CE2 3.97Å; L400-F436 HydrophobicContact CD1-CZ 4.46Å; L400-V438 HydrophobicContact CD1-CG2 4.11Å
401	L	90.6	Very high	71.4	Confident	59 Å²	59	74.8 Å²	74.8	31%	0.309	41%	0.409	S	S	.	.	H	α-helix	trans	-69	-40	174.4	-71.2	173.7	0	0	0	111.5	K397 S398 L403 R404 F436	K397-L401 HydrophobicContact CG-CD1 4.16Å; K397-L401 WeakPolarHBondContact O-CB 3.41Å; K397-L401 VanDerWaalsContact O-CG 3.29Å; K397-L401 WeakPolarHBondContact O-CG 3.48Å; K397-L401 PolarHBondContact O-N 3.27Å; S398-L401 PolarHBondContact O-N 3.4Å; L401-L403 VanDerWaalsContact C-N 3.3Å; L401-L403 PolarHBondContact O-N 3.07Å; L401-R404 VanDerWaalsContact O-CB 3.3Å; L401-R404 WeakPolarHBondContact O-CB 3.45Å; L401-R404 PolarHBondContact O-N 3.32Å; L401-F436 HydrophobicContact CD2-CE1 4.38Å; L401-F436 HydrophobicContact CD2-CZ 3.97Å; L401-F436 HydrophobicContact CG-CZ 4.27Å
402	S	85.5	Confident	69.1	Low	50 Å²	50	72 Å²	72	35%	0.35	40%	0.398	S	S	.	.	H	α-helix	trans	-62.4	-33.4	179.2	-64.1	0	0	0	0	113.2	S398 A399 R404 C405	S398-S402 WeakPolarHBondContact O-CB 3.27Å; S398-S402 PolarHBondContact O-N 3.16Å; S398-S402 PolarHBondContact O-OG 3.07Å; A399-S402 PolarHBondContact O-N 3.49Å; S402-R404 PolarHBondContact O-N 2.99Å; S402-C405 PolarHBondContact O-N 3.46Å
403	L	76.7	Confident	66.6	Low	46 Å²	46	78.4 Å²	78.4	24%	0.241	43%	0.432	C	S	.	.	G	3₁₀ helix	trans	-63.5	-17.6	173.8	-79.5	173.6	0	0	0	114	I358 R362 A399 L401 C405 S406	I358-L403 HydrophobicContact CB-CD1 4.05Å; I358-L403 HydrophobicContact CG2-CD1 3.3Å; I358-L403 HydrophobicContact CG2-CG 4.26Å; R362-L403 HydrophobicContact CB-CD1 4.43Å; A399-L403 PolarHBondContact O-N 3.41Å; L401-L403 VanDerWaalsContact C-N 3.3Å; L401-L403 PolarHBondContact O-N 3.07Å; L403-C405 PolarHBondContact O-N 2.9Å; L403-C405 VanDerWaalsContact O-N 3.15Å; L403-S406 PolarHBondContact O-N 3.37Å
404	R	55.4	Low	63.9	Low	107 Å²	107	81 Å²	81	40%	0.404	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-61.4	-20.8	174.5	-74.1	-164.1	-177.1	-122.8	5.8	112.8	L401 S402 S406 E435	L401-R404 VanDerWaalsContact O-CB 3.3Å; L401-R404 WeakPolarHBondContact O-CB 3.45Å; L401-R404 PolarHBondContact O-N 3.32Å; S402-R404 PolarHBondContact O-N 2.99Å; R404-S406 PolarHBondContact O-N 3.45Å; R404-E435 IonicContact CZ-OE1 3.43Å; R404-E435 IonicContact CZ-OE2 3.31Å; R404-E435 VanDerWaalsContact CZ-OE2 3.31Å; R404-E435 IonicContact NH1-OE1 2.79Å; R404-E435 PolarHBondContact NH1-OE1 3.41Å; R404-E435 IonicContact NH1-OE2 3.36Å; R404-E435 PolarHBondContact NH1-OE2 3.29Å; R404-E435 IonicContact NH2-OE1 2.66Å; R404-E435 PolarHBondContact NH2-OE1 3.38Å; R404-E435 VanDerWaalsContact NH2-OE1 3.14Å; R404-E435 IonicContact NH2-OE2 2.69Å; R404-E435 PolarHBondContact NH2-OE2 3.49Å
405	C	40.1	Very low	61.4	Low	97 Å²	97	84 Å²	84	66%	0.655	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-88	4.4	-173.6	-68.8	0	0	0	0	114.9	S402 L403	S402-C405 PolarHBondContact O-N 3.46Å; L403-C405 PolarHBondContact O-N 2.9Å; L403-C405 VanDerWaalsContact O-N 3.15Å
406	S	38.6	Very low	59	Low	53 Å²	53	82.6 Å²	82.6	37%	0.371	46%	0.456	S	S	.	.			trans	-114.3	29.3	-166.5	-46.2	0	0	0	0	115.6	L403 R404 S408	L403-S406 PolarHBondContact O-N 3.37Å; R404-S406 PolarHBondContact O-N 3.45Å; S406-S408 PolarHBondContact O-N 2.9Å
407	N	34.1	Very low	56.5	Low	179 Å²	179	88.1 Å²	88.1	96%	0.957	49%	0.486	S	S	*	.	S	Bend	trans	-83.4	20.2	162.7	-86	-6.7	0	0	0	113
408	S	34.1	Very low	53.9	Low	92 Å²	92	90.1 Å²	90.1	64%	0.643	50%	0.496	S	S	*	.	S	Bend	trans	-135.1	131.1	163.9	52.6	0	0	0	0	110	S406	S406-S408 PolarHBondContact O-N 2.9Å
409	D	32.7	Very low	51.6	Low	152 Å²	152	90.3 Å²	90.3	81%	0.813	50%	0.499	S	S	*	.			trans	-55.2	149.3	-174.5	-72.2	-53.6	0	0	0	114.5
410	H	35.6	Very low	49.2	Very low	179 Å²	179	93.7 Å²	93.7	83%	0.829	51%	0.513	S	S	*	.	S	Bend	trans	87.7	121.8	161.4	-67	-65	0	0	0	121.1
411	D	40.3	Very low	46.5	Very low	130 Å²	130	99.7 Å²	99.7	70%	0.695	54%	0.541	S	S	*	.			trans	75.1	93	158.6	-146.4	7.1	0	0	0	119.1
412	L	44	Very low	43.9	Very low	70 Å²	70	102.3 Å²	102.3	37%	0.366	55%	0.551	S	S	.	*			trans	-92.4	-19.9	-171.7	-147.4	77.4	0	0	0	114	G414	L412-G414 VanDerWaalsContact C-N 3.33Å; L412-G414 PolarHBondContact O-N 2.91Å
413	N	41.9	Very low	41.8	Very low	136 Å²	136	104.4 Å²	104.4	73%	0.727	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-25.5	-170.9	-82.4	-21.9	0	0	0	114
414	G	38.9	Very low	39.9	Very low	57 Å²	57	108.3 Å²	108.3	59%	0.588	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-27.9	-177.8	0	0	0	0	0	115	L412	L412-G414 VanDerWaalsContact C-N 3.33Å; L412-G414 PolarHBondContact O-N 2.91Å
415	K	41.6	Very low	38.8	Very low	142 Å²	142	110 Å²	110	62%	0.617	59%	0.593	S	S	*	*	H	α-helix	trans	-86	-25.8	-169.8	-69	-179.5	-178.9	170.9	0	113.8	H418 A419	K415-H418 PolarHBondContact O-N 3.39Å; K415-A419 PolarHBondContact O-N 3.1Å
416	I	43	Very low	38.4	Very low	75 Å²	75	109 Å²	109	39%	0.385	59%	0.587	S	S	.	*	H	α-helix	trans	-64.3	-43.6	-178.3	-63.3	171.5	0	0	0	111.2	H418 I420	I416-H418 VanDerWaalsContact C-N 3.3Å; I416-H418 PolarHBondContact O-N 2.72Å; I416-I420 HydrophobicContact CG2-CD1 3.92Å; I416-I420 WeakPolarHBondContact O-CD1 3.49Å; I416-I420 VanDerWaalsContact O-CG1 3.23Å; I416-I420 WeakPolarHBondContact O-CG1 3.37Å; I416-I420 PolarHBondContact O-N 3.02Å
417	N	40.6	Very low	38.1	Very low	117 Å²	117	114.7 Å²	114.7	63%	0.626	61%	0.606	S	S	*	*	H	α-helix	trans	-68	-29	-179.9	-71.9	-31.6	0	0	0	113.1
418	H	40.1	Very low	37.8	Very low	107 Å²	107	113.4 Å²	113.4	50%	0.495	60%	0.599	S	S	.	*	H	α-helix	trans	-81.7	-38.6	-179.8	-140.9	-83.5	0	0	0	111.9	K415 I416 I420 Q421 E422	K415-H418 PolarHBondContact O-N 3.39Å; I416-H418 VanDerWaalsContact C-N 3.3Å; I416-H418 PolarHBondContact O-N 2.72Å; H418-I420 VanDerWaalsContact C-N 3.33Å; H418-I420 PolarHBondContact O-N 2.9Å; H418-Q421 PolarHBondContact O-N 2.95Å; H418-Q421 VanDerWaalsContact O-N 3.15Å; H418-E422 IonicContact CE1-OE1 3.25Å; H418-E422 PolarHBondContact CE1-OE1 3.28Å; H418-E422 VanDerWaalsContact CE1-OE1 3.25Å; H418-E422 IonicContact ND1-OE1 3.12Å; H418-E422 PolarHBondContact ND1-OE1 2.95Å; H418-E422 VanDerWaalsContact ND1-OE1 3.12Å; H418-E422 PolarHBondContact O-N 3.44Å
419	A	45.5	Very low	37.6	Very low	27 Å²	27	115.3 Å²	115.3	22%	0.223	61%	0.607	C	S	.	*	H	α-helix	trans	-63.6	-37.5	175.6	0	0	0	0	0	112.4	K415 Q421 E422 E423	K415-A419 PolarHBondContact O-N 3.1Å; A419-Q421 VanDerWaalsContact C-N 3.27Å; A419-Q421 PolarHBondContact O-N 2.7Å; A419-E422 PolarHBondContact O-N 2.93Å; A419-E423 PolarHBondContact O-N 3.28Å; A419-E423 VanDerWaalsContact O-N 3.16Å
420	I	40	Very low	37.5	Very low	92 Å²	92	117.7 Å²	117.7	47%	0.472	61%	0.613	S	S	.	*	H	α-helix	trans	-61.5	-34.8	174.4	-67.2	166.1	0	0	0	111.7	I416 H418 L424	I416-I420 HydrophobicContact CG2-CD1 3.92Å; I416-I420 WeakPolarHBondContact O-CD1 3.49Å; I416-I420 VanDerWaalsContact O-CG1 3.23Å; I416-I420 WeakPolarHBondContact O-CG1 3.37Å; I416-I420 PolarHBondContact O-N 3.02Å; H418-I420 VanDerWaalsContact C-N 3.33Å; H418-I420 PolarHBondContact O-N 2.9Å; I420-L424 WeakPolarHBondContact O-CD1 3.38Å
421	Q	37.9	Very low	37.3	Very low	126 Å²	126	114.2 Å²	114.2	59%	0.589	61%	0.609	S	S	*	*	H	α-helix	trans	-86.2	-32	-179.8	-83.5	-176.6	-20.8	0	0	114	H418 A419 N425	H418-Q421 PolarHBondContact O-N 2.95Å; H418-Q421 VanDerWaalsContact O-N 3.15Å; A419-Q421 VanDerWaalsContact C-N 3.27Å; A419-Q421 PolarHBondContact O-N 2.7Å; Q421-N425 PolarHBondContact O-ND2 3.17Å
422	E	35.2	Very low	37.3	Very low	114 Å²	114	115.2 Å²	115.2	53%	0.533	61%	0.614	S	S	.	*	H	α-helix	trans	-74.2	-38.9	178.7	-80.1	-179	175	0	0	112.3	H418 A419 L424 N425 S426	H418-E422 IonicContact CE1-OE1 3.25Å; H418-E422 PolarHBondContact CE1-OE1 3.28Å; H418-E422 VanDerWaalsContact CE1-OE1 3.25Å; H418-E422 IonicContact ND1-OE1 3.12Å; H418-E422 PolarHBondContact ND1-OE1 2.95Å; H418-E422 VanDerWaalsContact ND1-OE1 3.12Å; H418-E422 PolarHBondContact O-N 3.44Å; A419-E422 PolarHBondContact O-N 2.93Å; E422-L424 PolarHBondContact O-N 2.97Å; E422-N425 PolarHBondContact O-N 2.84Å; E422-N425 VanDerWaalsContact O-N 3.11Å; E422-S426 PolarHBondContact O-N 3.45Å; E422-S426 VanDerWaalsContact O-N 3.08Å; E422-S426 PolarHBondContact O-OG 2.95Å
423	E	42.4	Very low	37.7	Very low	95 Å²	95	117.6 Å²	117.6	44%	0.444	63%	0.634	S	S	.	*	H	α-helix	trans	-73.7	-23.6	178.7	-81.6	-169.2	146.8	0	0	113.7	S398 A419 N425	S398-E423 WeakPolarHBondContact CB-OE2 3.3Å; S398-E423 PolarHBondContact OG-OE2 3.36Å; A419-E423 PolarHBondContact O-N 3.28Å; A419-E423 VanDerWaalsContact O-N 3.16Å; E423-N425 PolarHBondContact O-N 3.29Å
424	L	36.9	Very low	39.1	Very low	128 Å²	128	114 Å²	114	67%	0.67	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-19.7	169.3	-82.8	166.9	0	0	0	112.3	I420 E422	I420-L424 WeakPolarHBondContact O-CD1 3.38Å; E422-L424 PolarHBondContact O-N 2.97Å
425	N	31.8	Very low	41.5	Very low	142 Å²	142	114.3 Å²	114.3	76%	0.759	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.2	-15.5	-174.5	-71.3	-41	0	0	0	114.8	Q421 E422 E423	Q421-N425 PolarHBondContact O-ND2 3.17Å; E422-N425 PolarHBondContact O-N 2.84Å; E422-N425 VanDerWaalsContact O-N 3.11Å; E423-N425 PolarHBondContact O-N 3.29Å
426	S	31.7	Very low	43.9	Very low	76 Å²	76	107.8 Å²	107.8	53%	0.531	58%	0.577	S	S	.	*			trans	-105.4	65.2	-176.1	59	0	0	0	0	113.1	E422 N428	E422-S426 PolarHBondContact O-N 3.45Å; E422-S426 VanDerWaalsContact O-N 3.08Å; E422-S426 PolarHBondContact O-OG 2.95Å; S426-N428 PolarHBondContact O-N 2.97Å
427	F	31.2	Very low	46.4	Very low	172 Å²	172	106.9 Å²	106.9	75%	0.754	57%	0.572	S	S	*	*			trans	-76.5	114.7	162	-81.8	-92.9	0	0	0	109.4
428	N	27.4	Very low	49	Very low	153 Å²	153	101.4 Å²	101.4	82%	0.818	54%	0.543	S	S	*	.			trans	114.1	78.6	164.6	-58.6	-31.9	0	0	0	116.1	S426	S426-N428 PolarHBondContact O-N 2.97Å
429	T	31	Very low	51.7	Low	131 Å²	131	96.6 Å²	96.6	80%	0.804	52%	0.521	S	S	*	.			trans	-150.5	97.1	146.6	38.9	0	0	0	0	110.3
430	E	29.9	Very low	54.2	Low	203 Å²	203	95.4 Å²	95.4	95%	0.949	51%	0.511	S	S	*	.			trans	-82.8	108.2	170.5	-72.1	-178.7	157.7	0	0	110.1
431	S	33	Very low	57	Low	106 Å²	106	91 Å²	91	74%	0.741	49%	0.489	S	S	*	.			trans	-159.7	55.7	169.3	53.5	0	0	0	0	114
432	N	39.6	Very low	59.8	Low	150 Å²	150	85.1 Å²	85.1	80%	0.802	46%	0.462	S	S	*	.	S	Bend	trans	-175.6	138.4	145.7	-114.4	-22.7	0	0	0	108.3	S434	N432-S434 PolarHBondContact O-N 3.26Å
433	P	52.3	Low	62.6	Low	121 Å²	121	79.7 Å²	79.7	79%	0.786	44%	0.436	S	S	*	.			trans	-62.4	112.6	169.4	26.2	-30.4	0	0	0	108.1	E435	P433-E435 PolarHBondContact O-N 2.96Å
434	S	71.3	Confident	65.2	Low	59 Å²	59	75.2 Å²	75.2	41%	0.413	42%	0.415	S	S	.	.			trans	-53.4	125	179	50.7	0	0	0	0	110.1	P376 N432 F436	P376-S434 WeakPolarHBondContact CB-O 3.4Å; N432-S434 PolarHBondContact O-N 3.26Å; S434-F436 WeakPolarHBondContact CB-O 3.38Å; S434-F436 PolarHBondContact O-N 3.35Å; S434-F436 VanDerWaalsContact O-N 3.14Å; S434-F436 PolarHBondContact OG-O 2.83Å
435	E	89.1	Confident	68	Low	64 Å²	64	69.1 Å²	69.1	30%	0.299	38%	0.383	S	S	.	.	S	Bend	trans	-58.3	-26.8	179.1	-78.2	162.8	-149.1	0	0	112.9	I369 L375 F377 R404 P433	I369-E435 HydrophobicContact CD1-CB 3.9Å; L375-E435 WeakPolarHBondContact CD2-O 3.31Å; F377-E435 PolarHBondContact N-O 2.93Å; R404-E435 IonicContact CZ-OE1 3.43Å; R404-E435 IonicContact CZ-OE2 3.31Å; R404-E435 VanDerWaalsContact CZ-OE2 3.31Å; R404-E435 IonicContact NH1-OE1 2.79Å; R404-E435 PolarHBondContact NH1-OE1 3.41Å; R404-E435 IonicContact NH1-OE2 3.36Å; R404-E435 PolarHBondContact NH1-OE2 3.29Å; R404-E435 IonicContact NH2-OE1 2.66Å; R404-E435 PolarHBondContact NH2-OE1 3.38Å; R404-E435 VanDerWaalsContact NH2-OE1 3.14Å; R404-E435 IonicContact NH2-OE2 2.69Å; R404-E435 PolarHBondContact NH2-OE2 3.49Å; P433-E435 PolarHBondContact O-N 2.96Å
436	F	93	Very high	71	Confident	6 Å²	6	63 Å²	63	3%	0.026	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	158.4	177.9	64.4	-87.6	0	0	0	110.5	I365 F377 L400 L401 S434 V438	I365-F436 HydrophobicContact CD1-CD2 4.44Å; I365-F436 HydrophobicContact CD1-CG 4.35Å; I365-F436 HydrophobicContact CG2-CB 4.02Å; I365-F436 HydrophobicContact CG2-CD1 4.22Å; I365-F436 HydrophobicContact CG2-CG 4.32Å; F377-F436 HydrophobicContact CB-CB 4.21Å; F377-F436 CarbonylContact O-C 3.52Å; F377-F436 WeakPolarHBondContact O-CA 3.4Å; F377-F436 VanDerWaalsContact O-CB 3.29Å; F377-F436 WeakPolarHBondContact O-CB 3.18Å; L400-F436 HydrophobicContact CB-CE2 3.95Å; L400-F436 HydrophobicContact CB-CZ 3.7Å; L400-F436 HydrophobicContact CD1-CE2 3.97Å; L400-F436 HydrophobicContact CD1-CZ 4.46Å; L401-F436 HydrophobicContact CD2-CE1 4.38Å; L401-F436 HydrophobicContact CD2-CZ 3.97Å; L401-F436 HydrophobicContact CG-CZ 4.27Å; S434-F436 WeakPolarHBondContact CB-O 3.38Å; S434-F436 PolarHBondContact O-N 3.35Å; S434-F436 VanDerWaalsContact O-N 3.14Å; S434-F436 PolarHBondContact OG-O 2.83Å; F436-V438 HydrophobicContact CD2-CG2 3.85Å; F436-V438 HydrophobicContact CE2-CG2 3.79Å
437	I	94.6	Very high	74.1	Confident	55 Å²	55	59.3 Å²	59.3	28%	0.282	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	145.2	167.3	53.6	171.3	0	0	0	108.8	P376 F377 P378 V379	P376-I437 HydrophobicContact CB-CB 4.45Å; P376-I437 HydrophobicContact CB-CG1 4.3Å; P376-I437 HydrophobicContact CB-CG2 3.73Å; P376-I437 HydrophobicContact CG-CD1 4.23Å; P376-I437 HydrophobicContact CG-CG1 4.19Å; P376-I437 HydrophobicContact CG-CG2 3.69Å; F377-I437 PolarHBondContact O-N 3.3Å; P378-I437 HydrophobicContact CB-CD1 4.48Å; P378-I437 HydrophobicContact CB-CG1 4.34Å; V379-I437 WeakPolarHBondContact CB-O 3.34Å; V379-I437 PolarHBondContact N-O 3.33Å
438	V	96.1	Very high	77.2	Confident	3 Å²	3	52 Å²	52	2%	0.018	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	122.6	170.4	-172.9	0	0	0	0	107.5	V379 L381 A393 L396 K397 L400 F436	V379-V438 HydrophobicContact CB-CG2 4.26Å; V379-V438 VanDerWaalsContact O-CA 3.3Å; V379-V438 WeakPolarHBondContact O-CA 3.38Å; L381-V438 HydrophobicContact CD1-CG1 3.99Å; A393-V438 HydrophobicContact CB-CG1 4.16Å; A393-V438 WeakPolarHBondContact O-CG1 3.44Å; L396-V438 HydrophobicContact CB-CG1 4.49Å; L396-V438 HydrophobicContact CD2-CG1 4.3Å; K397-V438 HydrophobicContact CB-CB 3.96Å; K397-V438 HydrophobicContact CB-CG2 3.94Å; K397-V438 HydrophobicContact CG-CB 4.35Å; K397-V438 HydrophobicContact CG-CG2 4.18Å; L400-V438 HydrophobicContact CD1-CG2 4.11Å; F436-V438 HydrophobicContact CD2-CG2 3.85Å; F436-V438 HydrophobicContact CE2-CG2 3.79Å
439	C	96.8	Very high	80.5	Confident	5 Å²	5	45 Å²	45	3%	0.034	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	170.6	176.7	60.3	0	0	0	0	110.9	H308 I310 V379 I380 L381	H308-C439 WeakPolarHBondContact O-CA 3.31Å; H308-C439 WeakPolarHBondContact O-CB 3.44Å; I310-C439 HydrophobicContact CG2-CB 4.33Å; V379-C439 PolarHBondContact O-N 3.49Å; I380-C439 CarbonylContact C-O 3.53Å; I380-C439 WeakPolarHBondContact CA-O 3.19Å; L381-C439 PolarHBondContact N-O 2.93Å
440	D	97.5	Very high	83.6	Confident	3 Å²	3	44.4 Å²	44.4	2%	0.016	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	169.9	168.8	89.2	-67.4	0	0	0	112.9	H308 R309 I310 L381 S389 A390 A393	H308-D440 PolarHBondContact O-N 3.37Å; R309-D440 CarbonylContact C-O 3.52Å; R309-D440 WeakPolarHBondContact CA-O 3.29Å; R309-D440 WeakPolarHBondContact CD-OD1 3.46Å; R309-D440 VanDerWaalsContact CG-OD1 3.24Å; R309-D440 WeakPolarHBondContact CG-OD1 3.17Å; R309-D440 IonicContact CZ-OD1 3.63Å; R309-D440 IonicContact CZ-OD2 2.8Å; R309-D440 IonicContact NE-OD1 3.78Å; R309-D440 PolarHBondContact NE-OD1 3.31Å; R309-D440 IonicContact NE-OD2 3.88Å; R309-D440 PolarHBondContact NE-OD2 3.32Å; R309-D440 IonicContact NH2-OD1 3.4Å; R309-D440 IonicContact NH2-OD2 3.26Å; R309-D440 PolarHBondContact NH2-OD2 3.24Å; I310-D440 PolarHBondContact N-O 3.34Å; L381-D440 HydrophobicContact CB-CB 4.13Å; L381-D440 VanDerWaalsContact O-CA 3.26Å; L381-D440 WeakPolarHBondContact O-CA 3.38Å; L381-D440 WeakPolarHBondContact O-CB 3.23Å; S389-D440 PolarHBondContact OG-OD2 3.14Å; A390-D440 WeakPolarHBondContact CA-OD2 3.49Å; A390-D440 PolarHBondContact N-OD2 2.69Å; A390-D440 VanDerWaalsContact N-OD2 3.14Å; A393-D440 HydrophobicContact CB-CB 4.12Å
441	V	97.7	Very high	86.8	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	113.4	-177.5	-173.9	0	0	0	0	110.3	I310 V312 L315 I380 L381 L382 G443 G444	I310-V441 HydrophobicContact CD1-CG2 4.39Å; I310-V441 HydrophobicContact CG1-CG2 4.21Å; V312-V441 HydrophobicContact CG1-CG1 3.66Å; L315-V441 HydrophobicContact CD2-CG1 4.32Å; L315-V441 HydrophobicContact CD2-CG2 3.97Å; I380-V441 HydrophobicContact CG2-CG2 3.53Å; L381-V441 PolarHBondContact O-N 3.14Å; L381-V441 VanDerWaalsContact O-N 3.1Å; L382-V441 HydrophobicContact CD1-CB 3.87Å; L382-V441 HydrophobicContact CD1-CG1 4.23Å; L382-V441 HydrophobicContact CD1-CG2 3.95Å; V441-G443 PolarHBondContact O-N 3.41Å; V441-G444 PolarHBondContact O-N 3.49Å
442	A	97.3	Very high	89.8	Confident	2 Å²	2	35.6 Å²	35.6	2%	0.017	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	130.8	175.1	0	0	0	0	0	111	I305 I310 G444	I305-A442 HydrophobicContact CD1-CB 3.39Å; I310-A442 PolarHBondContact O-N 2.94Å; A442-G444 PolarHBondContact O-N 3.36Å
443	G	94.7	Very high	92.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	70	-10.5	-174.8	0	0	0	0	0	116.3	N302 M303 R385 V441 A447	N302-G443 PolarHBondContact O-N 3.16Å; M303-G443 VanDerWaalsContact SD-CA 3.53Å; R385-G443 VanDerWaalsContact C-C 3.44Å; R385-G443 CarbonylContact C-O 3.57Å; R385-G443 VanDerWaalsContact CA-O 3.3Å; R385-G443 WeakPolarHBondContact CA-O 3.29Å; V441-G443 PolarHBondContact O-N 3.41Å; G443-A447 PolarHBondContact O-N 3Å
444	G	96.1	Very high	94.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	59.8	-150.7	174.7	0	0	0	0	0	114.5	C383 V441 A442 S446 A447 W448	C383-G444 WeakPolarHBondContact O-CA 3.24Å; V441-G444 PolarHBondContact O-N 3.49Å; A442-G444 PolarHBondContact O-N 3.36Å; G444-S446 PolarHBondContact O-N 2.92Å; G444-A447 PolarHBondContact O-N 3.03Å; G444-W448 PolarHBondContact O-N 3.24Å; G444-W448 VanDerWaalsContact O-N 3.08Å
445	L	96.4	Very high	95.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-65.2	-24.6	178.6	-72.1	173.9	0	0	0	114	R331 L341 L382 C383 Y384 W448 A449 F456	R331-L445 VanDerWaalsContact NH2-CD1 3.32Å; L341-L445 HydrophobicContact CD1-CD2 4.29Å; L341-L445 HydrophobicContact CD2-CD2 4.39Å; L341-L445 HydrophobicContact CG-CD2 4.05Å; L382-L445 HydrophobicContact CD1-CD2 4.3Å; L382-L445 HydrophobicContact CD1-CG 4.13Å; L382-L445 HydrophobicContact CD2-CD2 3.74Å; L382-L445 HydrophobicContact CD2-CG 4.01Å; L382-L445 HydrophobicContact CG-CD2 4.33Å; L382-L445 HydrophobicContact CG-CG 4.11Å; C383-L445 PolarHBondContact O-N 3Å; Y384-L445 HydrophobicContact CD2-CB 4.1Å; Y384-L445 PolarHBondContact O-N 3.15Å; Y384-L445 VanDerWaalsContact O-N 3.1Å; L445-W448 HydrophobicContact CD2-CB 4.39Å; L445-W448 WeakPolarHBondContact O-CB 3.46Å; L445-W448 PolarHBondContact O-N 3.11Å; L445-A449 PolarHBondContact O-N 3.42Å; L445-F456 HydrophobicContact CB-CE1 4.05Å; L445-F456 HydrophobicContact CD1-CE1 4.04Å; L445-F456 HydrophobicContact CD1-CZ 4.18Å; L445-F456 HydrophobicContact CD2-CE1 3.74Å; L445-F456 HydrophobicContact CD2-CE2 4.49Å; L445-F456 HydrophobicContact CD2-CZ 3.66Å; L445-F456 HydrophobicContact CG-CE1 4.17Å; L445-F456 HydrophobicContact CG-CZ 4.41Å
446	S	94.5	Very high	95.7	Very high	13 Å²	13	32.5 Å²	32.5	9%	0.091	18%	0.176	C	C	.	.	H	α-helix	trans	-65.2	-42.4	173.4	-64	0	0	0	0	111.1	M301 Y384 R385 G444 W448 A449 L450	M301-S446 VanDerWaalsContact SD-CB 3.5Å; Y384-S446 WeakPolarHBondContact CE2-OG 3.41Å; Y384-S446 WeakPolarHBondContact O-CB 3.45Å; Y384-S446 PolarHBondContact O-N 3.45Å; Y384-S446 PolarHBondContact O-OG 3.25Å; R385-S446 WeakPolarHBondContact CG-OG 3.41Å; G444-S446 PolarHBondContact O-N 2.92Å; S446-W448 VanDerWaalsContact C-N 3.34Å; S446-A449 PolarHBondContact O-N 3.31Å; S446-L450 WeakPolarHBondContact O-CB 3.36Å; S446-L450 PolarHBondContact O-N 3.49Å; S446-L450 VanDerWaalsContact O-N 3.09Å
447	A	96.5	Very high	95.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-68.8	-34.1	172.5	0	0	0	0	0	111.7	M301 M303 V312 G443 G444 L450 E451	M301-A447 HydrophobicContact SD-CB 4.22Å; M303-A447 HydrophobicContact CE-CB 4.5Å; M303-A447 HydrophobicContact SD-CB 4.08Å; V312-A447 HydrophobicContact CG1-CB 3.83Å; V312-A447 HydrophobicContact CG2-CB 4.49Å; G443-A447 PolarHBondContact O-N 3Å; G444-A447 PolarHBondContact O-N 3.03Å; A447-L450 PolarHBondContact O-N 3.04Å; A447-E451 WeakPolarHBondContact O-CB 3.28Å; A447-E451 PolarHBondContact O-N 3.2Å
448	W	97.4	Very high	95.2	Very high	18 Å²	18	37.3 Å²	37.3	7%	0.068	21%	0.21	C	C	.	.	H	α-helix	trans	-60.8	-47	174.1	178.1	-85.1	0	0	0	111.6	V312 L315 K316 I319 L341 G444 L445 S446 L450 E451 I452 D453 F456	V312-W448 HydrophobicContact CB-CE3 4.34Å; V312-W448 HydrophobicContact CG1-CB 4.28Å; L315-W448 HydrophobicContact CD2-CE3 4.11Å; L315-W448 HydrophobicContact CD2-CZ3 4.08Å; L315-W448 HydrophobicContact CG-CZ3 4.23Å; K316-W448 HydrophobicContact CB-CH2 4.38Å; K316-W448 HydrophobicContact CB-CZ3 4.11Å; K316-W448 HydrophobicContact CD-CH2 3.61Å; K316-W448 HydrophobicContact CD-CZ2 4.4Å; K316-W448 HydrophobicContact CD-CZ3 4.21Å; I319-W448 HydrophobicContact CD1-CH2 3.55Å; I319-W448 HydrophobicContact CD1-CZ3 3.87Å; L341-W448 HydrophobicContact CD1-CD2 4.5Å; L341-W448 HydrophobicContact CD1-CE3 4.41Å; L341-W448 HydrophobicContact CD1-CZ3 4.43Å; L341-W448 HydrophobicContact CD2-CD2 4.16Å; L341-W448 HydrophobicContact CD2-CH2 4.33Å; L341-W448 HydrophobicContact CD2-CZ2 3.74Å; G444-W448 PolarHBondContact O-N 3.24Å; G444-W448 VanDerWaalsContact O-N 3.08Å; L445-W448 HydrophobicContact CD2-CB 4.39Å; L445-W448 WeakPolarHBondContact O-CB 3.46Å; L445-W448 PolarHBondContact O-N 3.11Å; S446-W448 VanDerWaalsContact C-N 3.34Å; W448-L450 VanDerWaalsContact C-N 3.29Å; W448-L450 PolarHBondContact O-N 3.49Å; W448-E451 PolarHBondContact O-N 3.08Å; W448-I452 HydrophobicContact CD2-CB 3.9Å; W448-I452 HydrophobicContact CD2-CG1 4.25Å; W448-I452 HydrophobicContact CD2-CG2 4.01Å; W448-I452 HydrophobicContact CE3-CB 4.04Å; W448-I452 HydrophobicContact CE3-CG1 3.92Å; W448-I452 HydrophobicContact CE3-CG2 4.06Å; W448-I452 HydrophobicContact CG-CB 4.34Å; W448-I452 HydrophobicContact CH2-CG2 3.74Å; W448-I452 HydrophobicContact CZ2-CB 4.43Å; W448-I452 HydrophobicContact CZ2-CG2 3.63Å; W448-I452 HydrophobicContact CZ3-CB 4.39Å; W448-I452 HydrophobicContact CZ3-CG1 4.28Å; W448-I452 HydrophobicContact CZ3-CG2 3.93Å; W448-I452 WeakPolarHBondContact O-CA 3.28Å; W448-I452 WeakPolarHBondContact O-CB 3.4Å; W448-I452 PolarHBondContact O-N 3.27Å; W448-D453 PolarHBondContact O-N 3.47Å; W448-F456 AromaticContact CD1-CD2 3.75Å; W448-F456 AromaticContact CD1-CG 3.7Å; W448-F456 AromaticContact NE1-CD2 3.74Å
449	A	96.1	Very high	94.6	Very high	7 Å²	7	41.6 Å²	41.6	6%	0.058	23%	0.226	C	C	.	.	H	α-helix	trans	-61.6	-39.8	176.5	0	0	0	0	0	111.7	L445 S446 D453 P454 F456 T458	L445-A449 PolarHBondContact O-N 3.42Å; S446-A449 PolarHBondContact O-N 3.31Å; A449-D453 VanDerWaalsContact CA-O 3.31Å; A449-D453 WeakPolarHBondContact CA-O 3.45Å; A449-D453 CarbonylContact O-C 3.59Å; A449-D453 VanDerWaalsContact O-C 3.27Å; A449-P454 WeakPolarHBondContact O-CA 3.48Å; A449-F456 HydrophobicContact CB-CB 3.98Å; A449-F456 HydrophobicContact CB-CD1 4.39Å; A449-T458 HydrophobicContact CB-CG2 3.57Å
450	L	95.2	Very high	94.5	Very high	118 Å²	118	43.5 Å²	43.5	62%	0.618	24%	0.236	S	C	*	.	H	α-helix	trans	-71	-41.1	-179.3	-176.7	63.3	0	0	0	113.4	M301 S446 A447 W448	M301-L450 HydrophobicContact CE-CD2 4.09Å; S446-L450 WeakPolarHBondContact O-CB 3.36Å; S446-L450 PolarHBondContact O-N 3.49Å; S446-L450 VanDerWaalsContact O-N 3.09Å; A447-L450 PolarHBondContact O-N 3.04Å; W448-L450 VanDerWaalsContact C-N 3.29Å; W448-L450 PolarHBondContact O-N 3.49Å
451	E	97	Very high	94.3	Very high	78 Å²	78	45.6 Å²	45.6	36%	0.364	25%	0.247	S	C	.	.	H	α-helix	trans	-111.2	-22.2	-164.3	-59.6	177.2	-151	0	0	114.4	V312 Q313 A447 W448	V312-E451 HydrophobicContact CG2-CB 3.89Å; V312-E451 HydrophobicContact CG2-CG 4.43Å; V312-E451 WeakPolarHBondContact CG2-OE2 3.45Å; Q313-E451 PolarHBondContact NE2-OE2 2.91Å; A447-E451 WeakPolarHBondContact O-CB 3.28Å; A447-E451 PolarHBondContact O-N 3.2Å; W448-E451 PolarHBondContact O-N 3.08Å
452	I	97	Very high	94.1	Very high	45 Å²	45	48.1 Å²	48.1	23%	0.231	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	-47.6	-173.3	-56.4	-61.6	0	0	0	112.1	V312 Q313 K316 W448	V312-I452 HydrophobicContact CB-CG1 3.93Å; V312-I452 HydrophobicContact CG2-CD1 4.26Å; V312-I452 HydrophobicContact CG2-CG1 3.83Å; Q313-I452 HydrophobicContact CG-CD1 4.09Å; K316-I452 HydrophobicContact CB-CD1 4.23Å; K316-I452 HydrophobicContact CD-CG2 3.89Å; K316-I452 HydrophobicContact CG-CG2 4.23Å; W448-I452 HydrophobicContact CD2-CB 3.9Å; W448-I452 HydrophobicContact CD2-CG1 4.25Å; W448-I452 HydrophobicContact CD2-CG2 4.01Å; W448-I452 HydrophobicContact CE3-CB 4.04Å; W448-I452 HydrophobicContact CE3-CG1 3.92Å; W448-I452 HydrophobicContact CE3-CG2 4.06Å; W448-I452 HydrophobicContact CG-CB 4.34Å; W448-I452 HydrophobicContact CH2-CG2 3.74Å; W448-I452 HydrophobicContact CZ2-CB 4.43Å; W448-I452 HydrophobicContact CZ2-CG2 3.63Å; W448-I452 HydrophobicContact CZ3-CB 4.39Å; W448-I452 HydrophobicContact CZ3-CG1 4.28Å; W448-I452 HydrophobicContact CZ3-CG2 3.93Å; W448-I452 WeakPolarHBondContact O-CA 3.28Å; W448-I452 WeakPolarHBondContact O-CB 3.4Å; W448-I452 PolarHBondContact O-N 3.27Å
453	D	95.5	Very high	93.9	Very high	56 Å²	56	50.8 Å²	50.8	30%	0.299	28%	0.275	S	S	.	.			trans	-138.9	91.2	-177.2	-179.4	9.6	0	0	0	111.2	W448 A449 N455 F456	W448-D453 PolarHBondContact O-N 3.47Å; A449-D453 VanDerWaalsContact CA-O 3.31Å; A449-D453 WeakPolarHBondContact CA-O 3.45Å; A449-D453 CarbonylContact O-C 3.59Å; A449-D453 VanDerWaalsContact O-C 3.27Å; D453-N455 PolarHBondContact O-N 3.15Å; D453-N455 WeakPolarHBondContact OD1-CB 3.38Å; D453-N455 PolarHBondContact OD1-N 3.23Å; D453-F456 HydrophobicContact CB-CB 4.1Å; D453-F456 WeakPolarHBondContact O-CB 3.37Å; D453-F456 PolarHBondContact O-N 3.05Å
454	P	93.5	Very high	93.9	Very high	107 Å²	107	54 Å²	54	70%	0.695	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-15.6	177.2	-27.1	36.6	0	0	0	115.4	A449	A449-P454 WeakPolarHBondContact O-CA 3.48Å
455	N	93.5	Very high	93.8	Very high	147 Å²	147	57.6 Å²	57.6	79%	0.786	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-5.9	175.3	-57.6	-56.4	0	0	0	112.6	D453	D453-N455 PolarHBondContact O-N 3.15Å; D453-N455 WeakPolarHBondContact OD1-CB 3.38Å; D453-N455 PolarHBondContact OD1-N 3.23Å
456	F	93.1	Very high	93.6	Very high	19 Å²	19	61.7 Å²	61.7	8%	0.083	33%	0.334	C	S	.	.	S	Bend	trans	-64.1	126.7	177.7	-163.8	-89.9	0	0	0	109.4	C339 L341 L445 W448 A449 D453 T458	C339-F456 HydrophobicContact CB-CE1 3.97Å; C339-F456 HydrophobicContact CB-CE2 4.36Å; C339-F456 HydrophobicContact CB-CZ 3.77Å; C339-F456 WeakPolarHBondContact SG-CE1 3.3Å; L341-F456 HydrophobicContact CD2-CE2 3.9Å; L341-F456 HydrophobicContact CD2-CZ 4.45Å; L445-F456 HydrophobicContact CB-CE1 4.05Å; L445-F456 HydrophobicContact CD1-CE1 4.04Å; L445-F456 HydrophobicContact CD1-CZ 4.18Å; L445-F456 HydrophobicContact CD2-CE1 3.74Å; L445-F456 HydrophobicContact CD2-CE2 4.49Å; L445-F456 HydrophobicContact CD2-CZ 3.66Å; L445-F456 HydrophobicContact CG-CE1 4.17Å; L445-F456 HydrophobicContact CG-CZ 4.41Å; W448-F456 AromaticContact CD1-CD2 3.75Å; W448-F456 AromaticContact CD1-CG 3.7Å; W448-F456 AromaticContact NE1-CD2 3.74Å; A449-F456 HydrophobicContact CB-CB 3.98Å; A449-F456 HydrophobicContact CB-CD1 4.39Å; D453-F456 HydrophobicContact CB-CB 4.1Å; D453-F456 WeakPolarHBondContact O-CB 3.37Å; D453-F456 PolarHBondContact O-N 3.05Å; F456-T458 PolarHBondContact O-N 3.36Å
457	P	90.5	Very high	93.5	Very high	62 Å²	62	65.5 Å²	65.5	40%	0.403	35%	0.353	S	S	.	.			trans	-57.3	130.8	-174.4	-28.2	36	0	0	0	112.9	I338 C339	I338-P457 HydrophobicContact CG2-CB 4.34Å; C339-P457 HydrophobicContact CB-CB 4.13Å; C339-P457 HydrophobicContact CB-CG 3.89Å
458	T	86.1	Confident	93.3	Very high	101 Å²	101	70.9 Å²	70.9	62%	0.62	38%	0.382	S	S	*	.			trans	-112.2	141.2	169.6	56.5	0	0	0	0	109.3	A449 F456	A449-T458 HydrophobicContact CB-CG2 3.57Å; F456-T458 PolarHBondContact O-N 3.36Å
459	Y	84.3	Confident	92.9	Very high	93 Å²	93	75.7 Å²	75.7	37%	0.365	41%	0.411	S	S	.	.			trans	-134.3	0	-179.5	53.8	-90.8	0	0	0	112.3	R331 E335 I338 Y384	R331-Y459 PolarHBondContact NH1-OH 3.12Å; E335-Y459 WeakPolarHBondContact CB-OH 3.35Å; E335-Y459 HydrophobicContact CG-CE2 3.9Å; E335-Y459 WeakPolarHBondContact CG-OH 3.3Å; E335-Y459 PolarHBondContact OE2-OH 3.38Å; I338-Y459 HydrophobicContact CB-CE1 4.49Å; I338-Y459 HydrophobicContact CD1-CD1 3.96Å; I338-Y459 HydrophobicContact CD1-CD2 4.36Å; I338-Y459 HydrophobicContact CD1-CE1 4.12Å; I338-Y459 HydrophobicContact CD1-CG 4.09Å; I338-Y459 HydrophobicContact CG2-CD1 3.93Å; I338-Y459 HydrophobicContact CG2-CE1 4.24Å; Y384-Y459 AromaticContact CD1-CE2 3.97Å; Y384-Y459 HydrophobicContact CD1-CE2 3.97Å; Y384-Y459 HydrophobicContact CD2-CE1 4.03Å; Y384-Y459 HydrophobicContact CD2-CE2 4.43Å; Y384-Y459 AromaticContact CD2-CZ 3.8Å; Y384-Y459 HydrophobicContact CE1-CD2 4.14Å; Y384-Y459 AromaticContact CE1-CE2 3.95Å; Y384-Y459 HydrophobicContact CE1-CE2 3.95Å; Y384-Y459 VanDerWaalsContact CE1-O 3.32Å; Y384-Y459 WeakPolarHBondContact CE1-O 3.39Å; Y384-Y459 HydrophobicContact CE2-CD1 4.24Å; Y384-Y459 AromaticContact CE2-CE1 3.87Å; Y384-Y459 HydrophobicContact CE2-CE1 3.87Å; Y384-Y459 HydrophobicContact CE2-CE2 4.46Å; Y384-Y459 AromaticContact CE2-CZ 3.98Å; Y384-Y459 HydrophobicContact CG-CE2 4.22Å; Y384-Y459 AromaticContact CG-CZ 3.92Å; Y384-Y459 VanDerWaalsContact CZ-O 3.3Å; Y384-Y459 PolarHBondContact OH-N 2.79Å; Y384-Y459 PolarHBondContact OH-O 3.25Å

Retrieved 459 of 459 residues in 661.5 ms (Link to these results)

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