A0A077ZHH9_TRITR Loading...

Zf-C2H2 and zf-C2H2 4 and zf-H2C2 2 domain contai ning protein

AlphaFold DB , UniProt , Accession A0A077ZHH9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 851 aa.

						>A0A077ZHH9_TRITR|A0A077ZHH9
MEPVKNSEVVKENVHAFDADPAQLAKLLSGAESMAEFSDRRGNIVQVTAEQLKEAGVTLEALEGAEVVQFEEVNLRPVGEDQHLLFADVEGDIPQQQCNSVTGQIPSSQQIKDSVLSKPDDGTFLPVVPASSIPVGSIFAVLPNGQDMTEEEKLRLAVDNVRRAIQETEKRSEEMTKFKQVLETRNQLICAALIKTTSAEDEAILPVRLPNAPDVPVANVILKRFTTEQPPEDATVFRLGSGEQWYVQVEKLTGQENLLLLSNTRVDGLWVCDRCARRFSSFDQLKLHQQIVHPHKDAYYCRFCNRELFFANDASFKAHIRNDHRGVMEREAAKRRKLNLVDDIEEEPDWEEIYAETEPVFMRKCPICNLEFPSNLPNSVHAHEEHDTNKVEGAVSPMKPPVQIVTYDYYCSLCGKRYSKLQMLEKHSIAHRMPKHGYLPFTCRFCGKTFKWNENLLKHLMLHNSQEPIRCSACCQIFSNATRLDVHYRARHGDLGYRFPCSFCPEMFRVKEDLAKHVLIHGQWRCNDCGRRFADQLFFQRHQLKHSSQDFVCDLCGKIFYRPSNLSAHRNLHTGEKPYACKLCSMRFMSRSSWKIHMKWHDSPKRFTCETCGAAFKMKENFDVHVKVHKPPKPFGCNLCHRFYDRIEELYVHSTGHKPTGKYCCLKCKKTFFGKKAFQSHARWHEQPKPFVCALCDRSFPTTQRIQTHMISHIDRPEISHLIVAKNSCTDEVVKVTYVEVGKEPIELEGHQMGELTRKIISKAHAAAQKVKKKAVQPDGATTNQEVIECQTRTEEPNSEEIKDAPEGRVACSTSEEAVAVQEPPGENVTVEMEVETISGTDSSVLAKEMD
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.2	Very low	31.4	Very low	247 Å²	247	156 Å²	156	100%	1.217	82%	0.817	S	S	*	*				0	145.7	0	-59.2	-177.7	-167.2	0	0	107.4
2	E	28.7	Very low	31.6	Very low	179 Å²	179	158 Å²	158	84%	0.836	82%	0.819	S	S	*	*			trans	-76.1	176.3	165.3	-92.3	-171.4	-166.5	0	0	110.6
3	P	35.7	Very low	32.1	Very low	108 Å²	108	154.7 Å²	154.7	70%	0.701	80%	0.803	S	S	*	*			cis	-136.3	-146.2	-29.2	35	-14.9	0	0	0	111.5
4	V	36.5	Very low	32.6	Very low	125 Å²	125	153.9 Å²	153.9	76%	0.758	81%	0.808	S	S	*	*			trans	104.1	108.1	159.1	-171.1	0	0	0	0	116.2
5	K	32.1	Very low	33.3	Very low	194 Å²	194	148.1 Å²	148.1	84%	0.843	78%	0.775	S	S	*	*			trans	-71.1	131.6	164.2	-62.1	168.7	178.5	172.9	0	109.4
6	N	33.8	Very low	34.2	Very low	150 Å²	150	142.4 Å²	142.4	80%	0.802	76%	0.756	S	S	*	*			trans	-160.9	141.3	143.1	-105	-18.6	0	0	0	112.4
7	S	30.8	Very low	35.6	Very low	91 Å²	91	138.1 Å²	138.1	64%	0.636	73%	0.729	S	S	*	*			trans	40.2	99.6	154.4	59.5	0	0	0	0	120
8	E	27.1	Very low	36.6	Very low	185 Å²	185	137.3 Å²	137.3	86%	0.864	73%	0.726	S	S	*	*			trans	64.2	-179.6	140.6	-55.6	-174.2	140.7	0	0	118.2
9	V	30.2	Very low	38.2	Very low	130 Å²	130	131.6 Å²	131.6	79%	0.788	70%	0.7	S	S	*	*			trans	76.1	138.7	168.3	-144.9	0	0	0	0	117.6
10	V	33.2	Very low	39.8	Very low	121 Å²	121	128.7 Å²	128.7	73%	0.733	68%	0.684	S	S	*	*			trans	66	122.3	169.4	-152.8	0	0	0	0	119.1
11	K	30.6	Very low	41.4	Very low	186 Å²	186	124.3 Å²	124.3	81%	0.809	66%	0.663	S	S	*	*			trans	-80.5	110.5	159.2	-66.2	171.1	179.9	171.7	0	108.6	N13	K11-N13 PolarHBondContact O-N 2.6Å; K11-N13 VanDerWaalsContact O-N 3.13Å
12	E	34	Very low	43.8	Very low	180 Å²	180	115.1 Å²	115.1	84%	0.841	63%	0.626	S	S	*	*			trans	-74.1	103.1	169.6	-69.7	-173.2	160	0	0	110.1	V14	E12-V14 PolarHBondContact O-N 2.9Å
13	N	37.5	Very low	46.1	Very low	115 Å²	115	110.4 Å²	110.4	62%	0.615	61%	0.605	S	S	*	*			trans	-75.2	108.7	167.2	-73	-32.3	0	0	0	108.5	K11 H15	K11-N13 PolarHBondContact O-N 2.6Å; K11-N13 VanDerWaalsContact O-N 3.13Å; N13-H15 VanDerWaalsContact CB-NE2 3.25Å; N13-H15 WeakPolarHBondContact CB-NE2 3.13Å; N13-H15 PolarHBondContact O-CD2 3.28Å; N13-H15 PolarHBondContact O-N 3.35Å
14	V	39.3	Very low	48.1	Very low	143 Å²	143	106.4 Å²	106.4	87%	0.867	58%	0.577	S	S	*	*			trans	-71.1	94.6	168	-177.8	0	0	0	0	108.5	E12	E12-V14 PolarHBondContact O-N 2.9Å
15	H	43.6	Very low	50.2	Low	68 Å²	68	101.9 Å²	101.9	32%	0.315	55%	0.553	S	S	.	*			trans	-80.3	117.6	173.3	-67.1	-84.6	0	0	0	109.3	N13 F17 D39 V45	N13-H15 VanDerWaalsContact CB-NE2 3.25Å; N13-H15 WeakPolarHBondContact CB-NE2 3.13Å; N13-H15 PolarHBondContact O-CD2 3.28Å; N13-H15 PolarHBondContact O-N 3.35Å; H15-F17 HydrophobicContact CB-CD1 3.97Å; H15-F17 HydrophobicContact CB-CE1 3.87Å; H15-F17 WeakPolarHBondContact O-CE1 3.46Å; H15-D39 HydrophobicContact CB-CB 4.24Å; H15-D39 IonicContact CE1-OD2 2.66Å; H15-D39 PolarHBondContact CE1-OD2 2.94Å; H15-D39 IonicContact CG-OD2 3.09Å; H15-D39 IonicContact ND1-OD2 3.39Å; H15-D39 PolarHBondContact ND1-OD2 3.04Å; H15-V45 HydrophobicContact CB-CG2 4.4Å
16	A	47.2	Very low	52.5	Low	57 Å²	57	97.4 Å²	97.4	47%	0.471	53%	0.533	S	S	.	.			trans	-96	119.5	165.1	0	0	0	0	0	108.4	R40	A16-R40 PolarHBondContact O-N 3.02Å
17	F	57.2	Low	54.8	Low	68 Å²	68	90.3 Å²	90.3	30%	0.298	50%	0.495	S	S	.	.	B	Isolated β-bridge	trans	-120	134.2	174.4	27.5	-95	0	0	0	108.7	H15 A19 F37 S38 V45 V47	H15-F17 HydrophobicContact CB-CD1 3.97Å; H15-F17 HydrophobicContact CB-CE1 3.87Å; H15-F17 WeakPolarHBondContact O-CE1 3.46Å; F17-A19 PolarHBondContact O-N 2.91Å; F17-F37 HydrophobicContact CB-CB 4Å; F17-F37 HydrophobicContact CD2-CB 4.1Å; F17-F37 HydrophobicContact CD2-CG 4.38Å; F17-F37 HydrophobicContact CG-CB 4.02Å; F17-S38 WeakPolarHBondContact CB-O 3.48Å; F17-V45 HydrophobicContact CD1-CB 4.39Å; F17-V45 HydrophobicContact CD1-CG2 4.29Å; F17-V45 HydrophobicContact CE1-CB 4.28Å; F17-V45 HydrophobicContact CE1-CG1 4.01Å; F17-V45 HydrophobicContact CE1-CG2 4.37Å; F17-V47 HydrophobicContact CE2-CG2 4.46Å; F17-V47 HydrophobicContact CZ-CG2 4.24Å
18	D	55.2	Low	57.1	Low	125 Å²	125	86.6 Å²	86.6	67%	0.668	47%	0.468	S	S	*	.			trans	-84.3	96.8	175.6	-65.2	-62.9	0	0	0	107.2	R40	D18-R40 IonicContact OD1-NH2 2.79Å; D18-R40 PolarHBondContact OD1-NH2 3.12Å; D18-R40 VanDerWaalsContact OD1-NH2 3.11Å; D18-R40 IonicContact OD2-CZ 3.55Å; D18-R40 IonicContact OD2-NE 3.12Å; D18-R40 PolarHBondContact OD2-NE 3.39Å; D18-R40 VanDerWaalsContact OD2-NE 3.12Å; D18-R40 IonicContact OD2-NH2 2.66Å; D18-R40 PolarHBondContact OD2-NH2 3.36Å
19	A	65.5	Low	59.6	Low	28 Å²	28	81.4 Å²	81.4	23%	0.231	45%	0.452	C	S	.	.			trans	-96.8	137.1	-174.6	0	0	0	0	0	112.2	F17 P21 L24 F37	F17-A19 PolarHBondContact O-N 2.91Å; A19-P21 WeakPolarHBondContact O-CD 3.3Å; A19-L24 HydrophobicContact CB-CD1 3.92Å; A19-L24 HydrophobicContact CB-CD2 4.24Å; A19-L24 HydrophobicContact CB-CG 4.08Å; A19-F37 HydrophobicContact CB-CD1 3.59Å; A19-F37 HydrophobicContact CB-CE1 3.49Å; A19-F37 VanDerWaalsContact CB-CE1 3.49Å; A19-F37 HydrophobicContact CB-CG 4.41Å; A19-F37 HydrophobicContact CB-CZ 4.23Å
20	D	71.7	Confident	61.9	Low	73 Å²	73	78.1 Å²	78.1	39%	0.39	45%	0.445	S	S	.	.			trans	-68.2	123.8	174.2	-178.9	-6	0	0	0	110.4	A22 Q23 L24	D20-A22 PolarHBondContact O-N 3.02Å; D20-A22 VanDerWaalsContact O-N 3.11Å; D20-A22 WeakPolarHBondContact OD1-CB 3.35Å; D20-A22 PolarHBondContact OD1-N 2.98Å; D20-Q23 HydrophobicContact CB-CB 4.36Å; D20-Q23 HydrophobicContact CB-CG 4.2Å; D20-Q23 PolarHBondContact O-N 3.08Å; D20-L24 PolarHBondContact O-N 3.34Å; D20-L24 VanDerWaalsContact O-N 3.13Å
21	P	73.3	Confident	63.9	Low	37 Å²	37	76 Å²	76	24%	0.24	44%	0.439	C	S	.	.	H	α-helix	trans	-50.6	-32.9	173.9	-28.1	35.8	0	0	0	113.8	A19 L24 A25 A65 V67	A19-P21 WeakPolarHBondContact O-CD 3.3Å; P21-L24 PolarHBondContact O-N 3.06Å; P21-A25 VanDerWaalsContact O-CB 3.28Å; P21-A25 WeakPolarHBondContact O-CB 3.36Å; P21-A25 PolarHBondContact O-N 3.28Å; P21-A65 HydrophobicContact CB-CB 4.32Å; P21-A65 HydrophobicContact CG-CB 4.19Å; P21-V67 HydrophobicContact CB-CG2 4.24Å; P21-V67 HydrophobicContact CG-CG2 3.9Å
22	A	77.1	Confident	65.9	Low	54 Å²	54	70.2 Å²	70.2	45%	0.446	42%	0.415	S	S	.	.	H	α-helix	trans	-68.7	-35.4	177.9	0	0	0	0	0	112.9	D20 K26	D20-A22 PolarHBondContact O-N 3.02Å; D20-A22 VanDerWaalsContact O-N 3.11Å; D20-A22 WeakPolarHBondContact OD1-CB 3.35Å; D20-A22 PolarHBondContact OD1-N 2.98Å; A22-K26 WeakPolarHBondContact O-CG 3.49Å; A22-K26 PolarHBondContact O-N 3.25Å; A22-K26 VanDerWaalsContact O-N 3.12Å
23	Q	77.3	Confident	67.9	Low	81 Å²	81	66.9 Å²	66.9	38%	0.379	41%	0.412	S	S	.	.	H	α-helix	trans	-71.6	-42.5	174.3	-72	-175.5	-30.6	0	0	111.3	D20 A25 K26 L27 F37	D20-Q23 HydrophobicContact CB-CB 4.36Å; D20-Q23 HydrophobicContact CB-CG 4.2Å; D20-Q23 PolarHBondContact O-N 3.08Å; Q23-A25 VanDerWaalsContact C-N 3.31Å; Q23-A25 PolarHBondContact O-N 3.46Å; Q23-K26 PolarHBondContact O-N 3.01Å; Q23-L27 PolarHBondContact O-N 3.11Å; Q23-F37 HydrophobicContact CB-CE1 4.25Å; Q23-F37 HydrophobicContact CB-CZ 4.38Å
24	L	78.2	Confident	69.9	Low	24 Å²	24	65.6 Å²	65.6	13%	0.126	40%	0.403	C	S	.	.	H	α-helix	trans	-61.9	-38.4	174.8	-65.2	175.6	0	0	0	111.9	A19 D20 P21 L27 L28 F37 L52 L62	A19-L24 HydrophobicContact CB-CD1 3.92Å; A19-L24 HydrophobicContact CB-CD2 4.24Å; A19-L24 HydrophobicContact CB-CG 4.08Å; D20-L24 PolarHBondContact O-N 3.34Å; D20-L24 VanDerWaalsContact O-N 3.13Å; P21-L24 PolarHBondContact O-N 3.06Å; L24-L27 PolarHBondContact O-N 2.84Å; L24-L28 WeakPolarHBondContact O-CB 3.42Å; L24-L28 WeakPolarHBondContact O-CG 3.47Å; L24-L28 PolarHBondContact O-N 3.03Å; L24-F37 HydrophobicContact CD2-CE1 4.37Å; L24-F37 HydrophobicContact CD2-CE2 4.15Å; L24-F37 HydrophobicContact CD2-CZ 3.67Å; L24-F37 HydrophobicContact CG-CZ 4.35Å; L24-L52 HydrophobicContact CD2-CD1 3.77Å; L24-L52 HydrophobicContact CD2-CD2 3.82Å; L24-L52 HydrophobicContact CD2-CG 4.47Å; L24-L62 HydrophobicContact CB-CD1 3.6Å; L24-L62 HydrophobicContact CB-CD2 4.32Å; L24-L62 HydrophobicContact CD1-CD2 4.19Å
25	A	80.5	Confident	71.8	Confident	29 Å²	29	59.3 Å²	59.3	24%	0.24	37%	0.367	C	S	.	.	H	α-helix	trans	-66.8	-36.9	175.7	0	0	0	0	0	112.8	P21 Q23 S29 L59 L62	P21-A25 VanDerWaalsContact O-CB 3.28Å; P21-A25 WeakPolarHBondContact O-CB 3.36Å; P21-A25 PolarHBondContact O-N 3.28Å; Q23-A25 VanDerWaalsContact C-N 3.31Å; Q23-A25 PolarHBondContact O-N 3.46Å; A25-S29 VanDerWaalsContact O-CB 3.26Å; A25-S29 WeakPolarHBondContact O-CB 3.47Å; A25-S29 PolarHBondContact O-N 3.44Å; A25-S29 PolarHBondContact O-OG 3.43Å; A25-L59 HydrophobicContact CB-CD2 4.34Å; A25-L62 HydrophobicContact CB-CD1 4.28Å
26	K	80.4	Confident	73.5	Confident	101 Å²	101	61.4 Å²	61.4	44%	0.439	38%	0.377	S	S	.	.	H	α-helix	trans	-65.1	-42.8	172.6	-77.8	-178.8	171.7	-170	0	112.7	A22 Q23 S29 G30 A31 E32	A22-K26 WeakPolarHBondContact O-CG 3.49Å; A22-K26 PolarHBondContact O-N 3.25Å; A22-K26 VanDerWaalsContact O-N 3.12Å; Q23-K26 PolarHBondContact O-N 3.01Å; K26-S29 WeakPolarHBondContact CA-OG 3.33Å; K26-S29 PolarHBondContact O-OG 3.4Å; K26-G30 PolarHBondContact O-N 2.69Å; K26-A31 HydrophobicContact CB-CB 4.44Å; K26-A31 PolarHBondContact O-N 3.03Å; K26-E32 VanDerWaalsContact CD-OE1 3.25Å; K26-E32 WeakPolarHBondContact CD-OE1 3.47Å; K26-E32 IonicContact NZ-OE1 3.1Å; K26-E32 PolarHBondContact NZ-OE1 3.42Å; K26-E32 PolarHBondContact O-N 3.41Å
27	L	82.3	Confident	74.9	Confident	0 Å²	0	59 Å²	59	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-60.2	-50	174.9	-112	167.3	0	0	0	111.1	Q23 L24 S29 G30 A35 F37 A49 L52	Q23-L27 PolarHBondContact O-N 3.11Å; L24-L27 PolarHBondContact O-N 2.84Å; L27-S29 PolarHBondContact O-N 3.28Å; L27-G30 PolarHBondContact O-N 3.14Å; L27-A35 HydrophobicContact CD1-CB 3.41Å; L27-A35 VanDerWaalsContact CD1-CB 3.41Å; L27-A35 HydrophobicContact CG-CB 4.08Å; L27-F37 HydrophobicContact CD1-CE2 4.03Å; L27-F37 HydrophobicContact CD1-CZ 4.26Å; L27-A49 HydrophobicContact CD2-CB 4.05Å; L27-A49 VanDerWaalsContact O-CB 3.3Å; L27-A49 WeakPolarHBondContact O-CB 3.3Å; L27-L52 HydrophobicContact CB-CD1 3.94Å; L27-L52 HydrophobicContact CD1-CD1 3.97Å; L27-L52 HydrophobicContact CG-CD1 4.46Å
28	L	78.6	Confident	75.6	Confident	14 Å²	14	59.7 Å²	59.7	7%	0.073	37%	0.369	C	S	.	.	H	α-helix	trans	-71.2	-28	-178.8	-73.5	172.2	0	0	0	114.3	L24 G30 L52 K53 V57 L59 L62	L24-L28 WeakPolarHBondContact O-CB 3.42Å; L24-L28 WeakPolarHBondContact O-CG 3.47Å; L24-L28 PolarHBondContact O-N 3.03Å; L28-G30 PolarHBondContact O-N 2.9Å; L28-L52 HydrophobicContact CD2-CB 3.81Å; L28-L52 HydrophobicContact CD2-CD1 4.37Å; L28-L52 HydrophobicContact CG-CB 4.37Å; L28-L52 HydrophobicContact CG-CD1 4.12Å; L28-K53 HydrophobicContact CD2-CG 3.93Å; L28-V57 HydrophobicContact CD1-CB 4.42Å; L28-V57 HydrophobicContact CD1-CG1 3.9Å; L28-L59 HydrophobicContact CB-CD1 4.24Å; L28-L59 HydrophobicContact CB-CG 3.98Å; L28-L62 HydrophobicContact CD1-CD1 3.76Å
29	S	79.2	Confident	76.3	Confident	76 Å²	76	54.2 Å²	54.2	53%	0.531	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-6.6	172.8	59.6	0	0	0	0	113.9	A25 K26 L27 A31	A25-S29 VanDerWaalsContact O-CB 3.26Å; A25-S29 WeakPolarHBondContact O-CB 3.47Å; A25-S29 PolarHBondContact O-N 3.44Å; A25-S29 PolarHBondContact O-OG 3.43Å; K26-S29 WeakPolarHBondContact CA-OG 3.33Å; K26-S29 PolarHBondContact O-OG 3.4Å; L27-S29 PolarHBondContact O-N 3.28Å; S29-A31 VanDerWaalsContact C-N 3.33Å
30	G	78.1	Confident	76.1	Confident	61 Å²	61	61.9 Å²	61.9	63%	0.629	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	12.8	179.7	0	0	0	0	0	114.4	K26 L27 L28 E32	K26-G30 PolarHBondContact O-N 2.69Å; L27-G30 PolarHBondContact O-N 3.14Å; L28-G30 PolarHBondContact O-N 2.9Å; G30-E32 VanDerWaalsContact C-N 3.35Å
31	A	75.3	Confident	75.8	Confident	75 Å²	75	69 Å²	69	62%	0.62	38%	0.384	S	S	*	.	S	Bend	trans	-73.3	-28.3	174.9	0	0	0	0	0	112.5	K26 S29	K26-A31 HydrophobicContact CB-CB 4.44Å; K26-A31 PolarHBondContact O-N 3.03Å; S29-A31 VanDerWaalsContact C-N 3.33Å
32	E	73.8	Confident	75.7	Confident	65 Å²	65	70 Å²	70	30%	0.304	40%	0.401	S	S	.	.			trans	-130	131.1	176.2	-70.2	169.3	-169.4	0	0	108.3	K26 G30	K26-E32 VanDerWaalsContact CD-OE1 3.25Å; K26-E32 WeakPolarHBondContact CD-OE1 3.47Å; K26-E32 IonicContact NZ-OE1 3.1Å; K26-E32 PolarHBondContact NZ-OE1 3.42Å; K26-E32 PolarHBondContact O-N 3.41Å; G30-E32 VanDerWaalsContact C-N 3.35Å
33	S	74.6	Confident	75.4	Confident	111 Å²	111	71.2 Å²	71.2	78%	0.776	40%	0.4	S	S	*	.	S	Bend	trans	-79.6	-22.3	-176.7	53.4	0	0	0	0	113.8
34	M	80	Confident	75.3	Confident	87 Å²	87	73 Å²	73	43%	0.429	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	140.4	-175.9	-176.9	-179.3	-74.2	0	0	107.9	Q46 V47 T48	M34-Q46 HydrophobicContact CG-CB 4.08Å; M34-Q46 HydrophobicContact CG-CG 4.3Å; M34-Q46 HydrophobicContact SD-CB 3.82Å; M34-Q46 VanDerWaalsContact SD-CD 3.54Å; M34-Q46 HydrophobicContact SD-CG 3.8Å; M34-V47 WeakPolarHBondContact CA-O 3.48Å; M34-T48 HydrophobicContact CE-CG2 4Å
35	A	78.2	Confident	75.1	Confident	12 Å²	12	73.3 Å²	73.3	10%	0.099	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	156.1	169.1	0	0	0	0	0	111.2	L27 F37 Q46 V47	L27-A35 HydrophobicContact CD1-CB 3.41Å; L27-A35 VanDerWaalsContact CD1-CB 3.41Å; L27-A35 HydrophobicContact CG-CB 4.08Å; A35-F37 HydrophobicContact CB-CE2 3.94Å; A35-F37 HydrophobicContact CB-CZ 4.05Å; A35-Q46 WeakPolarHBondContact O-CA 3.34Å; A35-V47 PolarHBondContact N-O 3.35Å; A35-V47 PolarHBondContact O-N 2.94Å
36	E	80.7	Confident	75.2	Confident	111 Å²	111	76.9 Å²	76.9	52%	0.519	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	120.4	-177.9	-78	-176.6	176.3	0	0	110.6	I44 Q46	E36-I44 HydrophobicContact CB-CG2 3.73Å; E36-I44 HydrophobicContact CG-CG2 3.74Å; E36-Q46 HydrophobicContact CG-CG 3.59Å; E36-Q46 PolarHBondContact OE1-NE2 3.02Å
37	F	76.3	Confident	75.1	Confident	8 Å²	8	72.6 Å²	72.6	4%	0.035	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	132.2	177.7	-61.1	-77.5	0	0	0	110.2	F17 A19 Q23 L24 L27 A35 V45 V47	F17-F37 HydrophobicContact CB-CB 4Å; F17-F37 HydrophobicContact CD2-CB 4.1Å; F17-F37 HydrophobicContact CD2-CG 4.38Å; F17-F37 HydrophobicContact CG-CB 4.02Å; A19-F37 HydrophobicContact CB-CD1 3.59Å; A19-F37 HydrophobicContact CB-CE1 3.49Å; A19-F37 VanDerWaalsContact CB-CE1 3.49Å; A19-F37 HydrophobicContact CB-CG 4.41Å; A19-F37 HydrophobicContact CB-CZ 4.23Å; Q23-F37 HydrophobicContact CB-CE1 4.25Å; Q23-F37 HydrophobicContact CB-CZ 4.38Å; L24-F37 HydrophobicContact CD2-CE1 4.37Å; L24-F37 HydrophobicContact CD2-CE2 4.15Å; L24-F37 HydrophobicContact CD2-CZ 3.67Å; L24-F37 HydrophobicContact CG-CZ 4.35Å; L27-F37 HydrophobicContact CD1-CE2 4.03Å; L27-F37 HydrophobicContact CD1-CZ 4.26Å; A35-F37 HydrophobicContact CB-CE2 3.94Å; A35-F37 HydrophobicContact CB-CZ 4.05Å; F37-V45 PolarHBondContact N-O 3.37Å; F37-V45 PolarHBondContact O-N 3.2Å; F37-V47 HydrophobicContact CD2-CB 4.03Å; F37-V47 HydrophobicContact CD2-CG2 3.79Å; F37-V47 HydrophobicContact CE2-CB 4.02Å; F37-V47 HydrophobicContact CE2-CG2 4.26Å
38	S	70.7	Confident	75.2	Confident	81 Å²	81	74.2 Å²	74.2	57%	0.566	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	124.7	172.6	56.9	0	0	0	0	110.8	F17 N43	F17-S38 WeakPolarHBondContact CB-O 3.48Å; S38-N43 WeakPolarHBondContact CA-O 3.42Å
39	D	70.3	Confident	75.4	Confident	11 Å²	11	74.4 Å²	74.4	6%	0.059	42%	0.421	C	S	.	.	B	Isolated β-bridge	trans	-68.8	168.5	168.9	84.8	-8	0	0	0	111.7	H15 R41 G42 N43	H15-D39 HydrophobicContact CB-CB 4.24Å; H15-D39 IonicContact CE1-OD2 2.66Å; H15-D39 PolarHBondContact CE1-OD2 2.94Å; H15-D39 IonicContact CG-OD2 3.09Å; H15-D39 IonicContact ND1-OD2 3.39Å; H15-D39 PolarHBondContact ND1-OD2 3.04Å; D39-R41 PolarHBondContact O-N 3.48Å; D39-R41 VanDerWaalsContact OD1-C 3.27Å; D39-R41 VanDerWaalsContact OD1-CA 3.24Å; D39-R41 WeakPolarHBondContact OD1-CA 3.38Å; D39-R41 WeakPolarHBondContact OD1-CB 3.47Å; D39-R41 PolarHBondContact OD1-N 3.41Å; D39-G42 PolarHBondContact O-N 3.07Å; D39-G42 PolarHBondContact OD1-N 3.33Å; D39-N43 PolarHBondContact N-O 2.92Å; D39-N43 PolarHBondContact OD1-N 3.07Å; D39-N43 PolarHBondContact OD1-ND2 3.32Å; D39-N43 PolarHBondContact OD2-ND2 3.42Å
40	R	61.3	Low	75.5	Confident	188 Å²	188	77.8 Å²	77.8	71%	0.709	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	2.5	176.4	-70.9	-175.6	175.9	177.3	4.3	115.7	A16 D18	A16-R40 PolarHBondContact O-N 3.02Å; D18-R40 IonicContact OD1-NH2 2.79Å; D18-R40 PolarHBondContact OD1-NH2 3.12Å; D18-R40 VanDerWaalsContact OD1-NH2 3.11Å; D18-R40 IonicContact OD2-CZ 3.55Å; D18-R40 IonicContact OD2-NE 3.12Å; D18-R40 PolarHBondContact OD2-NE 3.39Å; D18-R40 VanDerWaalsContact OD2-NE 3.12Å; D18-R40 IonicContact OD2-NH2 2.66Å; D18-R40 PolarHBondContact OD2-NH2 3.36Å
41	R	66.3	Low	75.6	Confident	223 Å²	223	79.2 Å²	79.2	84%	0.842	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	-0.3	174.9	-57.6	179.7	177.3	-143.1	0.2	112.4	D39	D39-R41 PolarHBondContact O-N 3.48Å; D39-R41 VanDerWaalsContact OD1-C 3.27Å; D39-R41 VanDerWaalsContact OD1-CA 3.24Å; D39-R41 WeakPolarHBondContact OD1-CA 3.38Å; D39-R41 WeakPolarHBondContact OD1-CB 3.47Å; D39-R41 PolarHBondContact OD1-N 3.41Å
42	G	69.8	Low	75.8	Confident	58 Å²	58	76.3 Å²	76.3	60%	0.598	39%	0.393	S	S	*	.	S	Bend	trans	83.8	10.9	-177.8	0	0	0	0	0	114.7	D39	D39-G42 PolarHBondContact O-N 3.07Å; D39-G42 PolarHBondContact OD1-N 3.33Å
43	N	72.1	Confident	76	Confident	79 Å²	79	79.5 Å²	79.5	42%	0.422	41%	0.406	S	S	.	.			trans	-78.9	134	172.5	-52.4	-62.7	0	0	0	109.5	S38 D39	S38-N43 WeakPolarHBondContact CA-O 3.42Å; D39-N43 PolarHBondContact N-O 2.92Å; D39-N43 PolarHBondContact OD1-N 3.07Å; D39-N43 PolarHBondContact OD1-ND2 3.32Å; D39-N43 PolarHBondContact OD2-ND2 3.42Å
44	I	75.3	Confident	76.1	Confident	118 Å²	118	82.1 Å²	82.1	61%	0.605	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	125.2	174.4	-56.4	175	0	0	0	108.8	E36	E36-I44 HydrophobicContact CB-CG2 3.73Å; E36-I44 HydrophobicContact CG-CG2 3.74Å
45	V	74.4	Confident	75.8	Confident	32 Å²	32	81.7 Å²	81.7	19%	0.194	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	118.5	176.4	-176.1	0	0	0	0	108.2	H15 F17 F37 V47	H15-V45 HydrophobicContact CB-CG2 4.4Å; F17-V45 HydrophobicContact CD1-CB 4.39Å; F17-V45 HydrophobicContact CD1-CG2 4.29Å; F17-V45 HydrophobicContact CE1-CB 4.28Å; F17-V45 HydrophobicContact CE1-CG1 4.01Å; F17-V45 HydrophobicContact CE1-CG2 4.37Å; F37-V45 PolarHBondContact N-O 3.37Å; F37-V45 PolarHBondContact O-N 3.2Å; V45-V47 HydrophobicContact CG1-CG2 4.11Å
46	Q	80.6	Confident	75.5	Confident	104 Å²	104	83.8 Å²	83.8	49%	0.486	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	129.5	172	-77.3	173.9	-8.8	0	0	109.7	M34 A35 E36	M34-Q46 HydrophobicContact CG-CB 4.08Å; M34-Q46 HydrophobicContact CG-CG 4.3Å; M34-Q46 HydrophobicContact SD-CB 3.82Å; M34-Q46 VanDerWaalsContact SD-CD 3.54Å; M34-Q46 HydrophobicContact SD-CG 3.8Å; A35-Q46 WeakPolarHBondContact O-CA 3.34Å; E36-Q46 HydrophobicContact CG-CG 3.59Å; E36-Q46 PolarHBondContact OE1-NE2 3.02Å
47	V	79.6	Confident	75	Confident	10 Å²	10	80.4 Å²	80.4	6%	0.061	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	132.1	-179.7	-178.8	0	0	0	0	109.8	F17 M34 A35 F37 V45 Q51 L52	F17-V47 HydrophobicContact CE2-CG2 4.46Å; F17-V47 HydrophobicContact CZ-CG2 4.24Å; M34-V47 WeakPolarHBondContact CA-O 3.48Å; A35-V47 PolarHBondContact N-O 3.35Å; A35-V47 PolarHBondContact O-N 2.94Å; F37-V47 HydrophobicContact CD2-CB 4.03Å; F37-V47 HydrophobicContact CD2-CG2 3.79Å; F37-V47 HydrophobicContact CE2-CB 4.02Å; F37-V47 HydrophobicContact CE2-CG2 4.26Å; V45-V47 HydrophobicContact CG1-CG2 4.11Å; V47-Q51 HydrophobicContact CG1-CB 4.35Å; V47-L52 HydrophobicContact CG1-CD1 4.43Å; V47-L52 HydrophobicContact CG1-CD2 3.83Å; V47-L52 HydrophobicContact CG1-CG 3.76Å
48	T	84.2	Confident	75	Confident	34 Å²	34	83.4 Å²	83.4	21%	0.209	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	161.6	176.5	71.5	0	0	0	0	112.4	M34 E50 Q51 L52	M34-T48 HydrophobicContact CE-CG2 4Å; T48-E50 PolarHBondContact O-N 3.34Å; T48-Q51 PolarHBondContact O-N 3.05Å; T48-Q51 WeakPolarHBondContact OG1-CG 3.38Å; T48-Q51 PolarHBondContact OG1-N 2.87Å; T48-L52 PolarHBondContact O-N 2.79Å
49	A	82.6	Confident	75.1	Confident	19 Å²	19	82.7 Å²	82.7	16%	0.157	43%	0.434	C	S	.	.	H	α-helix	trans	-63.7	-23.7	177.1	0	0	0	0	0	113.1	L27 K53	L27-A49 HydrophobicContact CD2-CB 4.05Å; L27-A49 VanDerWaalsContact O-CB 3.3Å; L27-A49 WeakPolarHBondContact O-CB 3.3Å; A49-K53 WeakPolarHBondContact O-CD 3.39Å; A49-K53 VanDerWaalsContact O-CG 3.29Å; A49-K53 WeakPolarHBondContact O-CG 3.3Å; A49-K53 PolarHBondContact O-N 2.89Å
50	E	81.3	Confident	75.1	Confident	146 Å²	146	89.8 Å²	89.8	68%	0.682	47%	0.467	S	S	*	.	H	α-helix	trans	-74.1	-46.1	175.4	-64.9	178	157.9	0	0	110.8	T48 L52 K53 E54	T48-E50 PolarHBondContact O-N 3.34Å; E50-L52 VanDerWaalsContact C-N 3.3Å; E50-L52 PolarHBondContact O-N 2.86Å; E50-K53 WeakPolarHBondContact O-CB 3.49Å; E50-K53 PolarHBondContact O-N 2.95Å; E50-E54 PolarHBondContact O-N 3.42Å
51	Q	80.6	Confident	75.2	Confident	92 Å²	92	84 Å²	84	43%	0.43	46%	0.459	S	S	.	.	H	α-helix	trans	-60.9	-36.5	176.6	-71	171.1	-31.5	0	0	112.8	V47 T48 E54 A55	V47-Q51 HydrophobicContact CG1-CB 4.35Å; T48-Q51 PolarHBondContact O-N 3.05Å; T48-Q51 WeakPolarHBondContact OG1-CG 3.38Å; T48-Q51 PolarHBondContact OG1-N 2.87Å; Q51-E54 PolarHBondContact O-N 2.88Å; Q51-A55 WeakPolarHBondContact O-CB 3.39Å; Q51-A55 PolarHBondContact O-N 3.36Å
52	L	78.8	Confident	75	Confident	14 Å²	14	74.7 Å²	74.7	7%	0.073	43%	0.426	C	S	.	.	H	α-helix	trans	-65.8	-38	174	-70.2	176.9	0	0	0	112.6	L24 L27 L28 V47 T48 E50 A55 G56 V57	L24-L52 HydrophobicContact CD2-CD1 3.77Å; L24-L52 HydrophobicContact CD2-CD2 3.82Å; L24-L52 HydrophobicContact CD2-CG 4.47Å; L27-L52 HydrophobicContact CB-CD1 3.94Å; L27-L52 HydrophobicContact CD1-CD1 3.97Å; L27-L52 HydrophobicContact CG-CD1 4.46Å; L28-L52 HydrophobicContact CD2-CB 3.81Å; L28-L52 HydrophobicContact CD2-CD1 4.37Å; L28-L52 HydrophobicContact CG-CB 4.37Å; L28-L52 HydrophobicContact CG-CD1 4.12Å; V47-L52 HydrophobicContact CG1-CD1 4.43Å; V47-L52 HydrophobicContact CG1-CD2 3.83Å; V47-L52 HydrophobicContact CG1-CG 3.76Å; T48-L52 PolarHBondContact O-N 2.79Å; E50-L52 VanDerWaalsContact C-N 3.3Å; E50-L52 PolarHBondContact O-N 2.86Å; L52-A55 PolarHBondContact O-N 2.86Å; L52-G56 PolarHBondContact O-N 2.65Å; L52-V57 HydrophobicContact CB-CB 4.41Å; L52-V57 HydrophobicContact CD2-CG2 4.41Å; L52-V57 WeakPolarHBondContact O-CB 3.41Å; L52-V57 PolarHBondContact O-N 2.65Å
53	K	77.5	Confident	74.3	Confident	132 Å²	132	79 Å²	79	57%	0.574	43%	0.431	S	S	*	.	H	α-helix	trans	-69.4	-40.4	176	-71.3	168.8	-175.1	174.4	0	111.5	L28 A49 E50 A55 G56	L28-K53 HydrophobicContact CD2-CG 3.93Å; A49-K53 WeakPolarHBondContact O-CD 3.39Å; A49-K53 VanDerWaalsContact O-CG 3.29Å; A49-K53 WeakPolarHBondContact O-CG 3.3Å; A49-K53 PolarHBondContact O-N 2.89Å; E50-K53 WeakPolarHBondContact O-CB 3.49Å; E50-K53 PolarHBondContact O-N 2.95Å; K53-A55 VanDerWaalsContact C-N 3.32Å; K53-A55 PolarHBondContact O-N 3.36Å; K53-G56 PolarHBondContact O-N 2.84Å
54	E	77.9	Confident	73.2	Confident	166 Å²	166	79 Å²	79	78%	0.776	45%	0.449	S	S	*	.	H	α-helix	trans	-63.8	-35.4	173.5	-71.1	-178.5	163.7	0	0	112.4	E50 Q51 G56	E50-E54 PolarHBondContact O-N 3.42Å; Q51-E54 PolarHBondContact O-N 2.88Å; E54-G56 PolarHBondContact O-N 3.19Å
55	A	73.5	Confident	71.4	Confident	78 Å²	78	75.6 Å²	75.6	65%	0.645	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-1.7	172.7	0	0	0	0	0	114.3	Q51 L52 K53 V57	Q51-A55 WeakPolarHBondContact O-CB 3.39Å; Q51-A55 PolarHBondContact O-N 3.36Å; L52-A55 PolarHBondContact O-N 2.86Å; K53-A55 VanDerWaalsContact C-N 3.32Å; K53-A55 PolarHBondContact O-N 3.36Å; A55-V57 HydrophobicContact CB-CG2 4.41Å
56	G	71	Confident	69.5	Low	56 Å²	56	83 Å²	83	58%	0.577	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	15.6	179.2	0	0	0	0	0	115.1	L52 K53 E54 T58	L52-G56 PolarHBondContact O-N 2.65Å; K53-G56 PolarHBondContact O-N 2.84Å; E54-G56 PolarHBondContact O-N 3.19Å; G56-T58 PolarHBondContact O-N 2.56Å
57	V	72	Confident	67.2	Low	39 Å²	39	82.1 Å²	82.1	24%	0.236	47%	0.473	C	S	.	.			trans	-83.5	109.7	175.6	-168.6	0	0	0	0	109.2	L28 L52 A55 L62	L28-V57 HydrophobicContact CD1-CB 4.42Å; L28-V57 HydrophobicContact CD1-CG1 3.9Å; L52-V57 HydrophobicContact CB-CB 4.41Å; L52-V57 HydrophobicContact CD2-CG2 4.41Å; L52-V57 WeakPolarHBondContact O-CB 3.41Å; L52-V57 PolarHBondContact O-N 2.65Å; A55-V57 HydrophobicContact CB-CG2 4.41Å; V57-L62 HydrophobicContact CG1-CD1 4.38Å; V57-L62 HydrophobicContact CG1-CD2 4.25Å; V57-L62 HydrophobicContact CG1-CG 4.23Å
58	T	74.4	Confident	64.8	Low	71 Å²	71	87 Å²	87	44%	0.436	50%	0.502	S	S	.	.			trans	-99.5	158.8	173.8	61.8	0	0	0	0	111.1	G56 E60 A61 L62	G56-T58 PolarHBondContact O-N 2.56Å; T58-E60 VanDerWaalsContact C-N 3.26Å; T58-E60 PolarHBondContact O-N 3.5Å; T58-A61 WeakPolarHBondContact O-CB 3.31Å; T58-A61 PolarHBondContact O-N 3.36Å; T58-A61 VanDerWaalsContact O-N 3.08Å; T58-A61 PolarHBondContact OG1-N 3.24Å; T58-L62 PolarHBondContact O-N 3.38Å
59	L	73.2	Confident	62.3	Low	66 Å²	66	93.9 Å²	93.9	35%	0.346	53%	0.532	S	S	.	.	H	α-helix	trans	-57.1	-42.5	171.7	-101.4	155.5	0	0	0	111.3	A25 L28 A61 L62 E63	A25-L59 HydrophobicContact CB-CD2 4.34Å; L28-L59 HydrophobicContact CB-CD1 4.24Å; L28-L59 HydrophobicContact CB-CG 3.98Å; L59-A61 PolarHBondContact O-N 3.31Å; L59-L62 PolarHBondContact O-N 3.49Å; L59-E63 PolarHBondContact O-N 3.07Å
60	E	71	Confident	59.7	Low	160 Å²	160	101.9 Å²	101.9	75%	0.748	56%	0.563	S	S	*	*	H	α-helix	trans	-56.6	-31.1	174.6	-58.4	176.9	169.3	0	0	113.2	T58 L62	T58-E60 VanDerWaalsContact C-N 3.26Å; T58-E60 PolarHBondContact O-N 3.5Å; E60-L62 VanDerWaalsContact C-N 3.35Å
61	A	64.3	Low	57.4	Low	66 Å²	66	103.7 Å²	103.7	55%	0.545	57%	0.572	S	S	.	*	H	α-helix	trans	-76.6	-20.9	176.9	0	0	0	0	0	113.2	T58 L59	T58-A61 WeakPolarHBondContact O-CB 3.31Å; T58-A61 PolarHBondContact O-N 3.36Å; T58-A61 VanDerWaalsContact O-N 3.08Å; T58-A61 PolarHBondContact OG1-N 3.24Å; L59-A61 PolarHBondContact O-N 3.31Å
62	L	60.4	Low	54.9	Low	29 Å²	29	107.8 Å²	107.8	15%	0.152	59%	0.591	C	S	.	*	H	α-helix	trans	-92.2	-28.5	176.9	-63.6	176.7	0	0	0	112.8	L24 A25 L28 V57 T58 L59 E60 G64 A65	L24-L62 HydrophobicContact CB-CD1 3.6Å; L24-L62 HydrophobicContact CB-CD2 4.32Å; L24-L62 HydrophobicContact CD1-CD2 4.19Å; A25-L62 HydrophobicContact CB-CD1 4.28Å; L28-L62 HydrophobicContact CD1-CD1 3.76Å; V57-L62 HydrophobicContact CG1-CD1 4.38Å; V57-L62 HydrophobicContact CG1-CD2 4.25Å; V57-L62 HydrophobicContact CG1-CG 4.23Å; T58-L62 PolarHBondContact O-N 3.38Å; L59-L62 PolarHBondContact O-N 3.49Å; E60-L62 VanDerWaalsContact C-N 3.35Å; L62-G64 PolarHBondContact O-N 3.04Å; L62-A65 WeakPolarHBondContact O-CB 3.32Å; L62-A65 PolarHBondContact O-N 2.92Å
63	E	55.1	Low	52.6	Low	149 Å²	149	113.6 Å²	113.6	70%	0.696	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-14.7	179.6	-75.3	177.3	170.8	0	0	114.1	L59	L59-E63 PolarHBondContact O-N 3.07Å
64	G	48.6	Very low	50.2	Low	77 Å²	77	113.1 Å²	113.1	79%	0.794	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-2.9	171.6	0	0	0	0	0	115.6	L62	L62-G64 PolarHBondContact O-N 3.04Å
65	A	38.8	Very low	47.9	Very low	47 Å²	47	111.9 Å²	111.9	39%	0.388	63%	0.629	S	S	.	*			trans	-109.7	72.6	-173	0	0	0	0	0	112.6	P21 L62 V67	P21-A65 HydrophobicContact CB-CB 4.32Å; P21-A65 HydrophobicContact CG-CB 4.19Å; L62-A65 WeakPolarHBondContact O-CB 3.32Å; L62-A65 PolarHBondContact O-N 2.92Å; A65-V67 PolarHBondContact O-N 2.86Å; A65-V67 VanDerWaalsContact O-N 3.08Å
66	E	33.7	Very low	45.8	Very low	188 Å²	188	118.7 Å²	118.7	88%	0.879	64%	0.637	S	S	*	*			trans	-62.8	111	166.4	-78.5	-169.2	144.5	0	0	110.2	V68	E66-V68 PolarHBondContact O-N 3.21Å
67	V	32.3	Very low	43.6	Very low	86 Å²	86	122.1 Å²	122.1	52%	0.521	65%	0.65	S	S	.	*			trans	-71.3	110	178.5	177.4	0	0	0	0	109.6	P21 A65 Q69	P21-V67 HydrophobicContact CB-CG2 4.24Å; P21-V67 HydrophobicContact CG-CG2 3.9Å; A65-V67 PolarHBondContact O-N 2.86Å; A65-V67 VanDerWaalsContact O-N 3.08Å; V67-Q69 PolarHBondContact O-N 3.13Å; V67-Q69 VanDerWaalsContact O-N 3.12Å
68	V	29.5	Very low	41.7	Very low	111 Å²	111	127.1 Å²	127.1	67%	0.673	68%	0.68	S	S	*	*			trans	-69.8	106.1	168.2	179.2	0	0	0	0	108.5	E66 F70	E66-V68 PolarHBondContact O-N 3.21Å; V68-F70 HydrophobicContact CB-CE2 4.48Å; V68-F70 HydrophobicContact CG1-CD2 4.28Å; V68-F70 HydrophobicContact CG1-CE2 3.93Å; V68-F70 HydrophobicContact CG1-CZ 4.45Å; V68-F70 PolarHBondContact O-N 3.44Å
69	Q	31.5	Very low	39.6	Very low	179 Å²	179	126.8 Å²	126.8	84%	0.836	69%	0.69	S	S	*	*			trans	-64.2	117.7	172.6	-67.8	-180	-19.4	0	0	109.8	V67	V67-Q69 PolarHBondContact O-N 3.13Å; V67-Q69 VanDerWaalsContact O-N 3.12Å
70	F	29.4	Very low	37.5	Very low	187 Å²	187	132.5 Å²	132.5	82%	0.82	72%	0.716	S	S	*	*			trans	-96.9	113.7	164.5	-81	-86.8	0	0	0	108.6	V68	V68-F70 HydrophobicContact CB-CE2 4.48Å; V68-F70 HydrophobicContact CG1-CD2 4.28Å; V68-F70 HydrophobicContact CG1-CE2 3.93Å; V68-F70 HydrophobicContact CG1-CZ 4.45Å; V68-F70 PolarHBondContact O-N 3.44Å
71	E	31.1	Very low	35.6	Very low	184 Å²	184	131.7 Å²	131.7	86%	0.86	72%	0.716	S	S	*	*			trans	-67.9	130	173.3	-67	-177.4	135.6	0	0	110.8	V73	E71-V73 PolarHBondContact O-N 2.96Å
72	E	28.3	Very low	34	Very low	178 Å²	178	137.5 Å²	137.5	83%	0.832	73%	0.732	S	S	*	*			trans	-72	107.8	175.3	-67.6	-172.2	140	0	0	111.4
73	V	31.2	Very low	32.3	Very low	137 Å²	137	144.4 Å²	144.4	83%	0.83	76%	0.763	S	S	*	*			trans	-97.5	94.2	163.8	-175.8	0	0	0	0	109.6	E71	E71-V73 PolarHBondContact O-N 2.96Å
74	N	27.4	Very low	30.9	Very low	122 Å²	122	144 Å²	144	65%	0.652	77%	0.765	S	S	*	*			trans	-57.3	139.5	165.1	-80.7	-84.8	0	0	0	110.8
75	L	29.1	Very low	29.7	Very low	140 Å²	140	148 Å²	148	73%	0.733	77%	0.768	S	S	*	*				163	113.6	118.9	-83.8	161.4	0	0	0	114.3
76	R	29.3	Very low	29.1	Very low	220 Å²	220	155 Å²	155	83%	0.83	79%	0.79	S	S	*	*			trans	70.5	130.4	143.9	-60.1	-178.8	-176.8	-171	1.5	120.9
77	P	25.7	Very low	29	Very low	129 Å²	129	150 Å²	150	84%	0.838	78%	0.78	S	S	*	*			trans	-84.3	146.3	162.1	35.4	-32	0	0	0	111.6
78	V	31.9	Very low	28.8	Very low	143 Å²	143	153 Å²	153	87%	0.867	79%	0.793	S	S	*	*			trans	-131.1	133.1	163.2	179.8	0	0	0	0	106.6
79	G	30.1	Very low	29	Very low	64 Å²	64	154.7 Å²	154.7	66%	0.66	80%	0.804	S	S	*	*			trans	-108	-159.2	-173.2	0	0	0	0	0	114.3
80	E	29.6	Very low	28.8	Very low	187 Å²	187	155.3 Å²	155.3	87%	0.874	81%	0.806	S	S	*	*			trans	76.7	105.2	164.1	-58.6	-177.4	168.7	0	0	118
81	D	29.4	Very low	28.9	Very low	143 Å²	143	150 Å²	150	77%	0.765	80%	0.804	S	S	*	*			trans	39.1	116.5	135.4	-61.8	-8.3	0	0	0	120.8
82	Q	31.2	Very low	29	Very low	187 Å²	187	148 Å²	148	87%	0.874	80%	0.8	S	S	*	*			trans	-151.2	104	140.5	-117.7	154	81.8	0	0	112.3
83	H	26.1	Very low	28.9	Very low	175 Å²	175	146.5 Å²	146.5	81%	0.81	80%	0.796	S	S	*	*			trans	-71.8	133.1	163.5	-79.5	-87.2	0	0	0	110.1
84	L	25.6	Very low	28.9	Very low	141 Å²	141	145.8 Å²	145.8	74%	0.738	79%	0.794	S	S	*	*			trans	-131.4	109.9	159.4	-88.1	168.7	0	0	0	110.3
85	L	22.2	Very low	29	Very low	161 Å²	161	148.8 Å²	148.8	84%	0.843	80%	0.804	S	S	*	*			trans	-84.5	142.2	164.5	-69.5	164	0	0	0	108.6
86	F	27.3	Very low	29.2	Very low	194 Å²	194	151.7 Å²	151.7	85%	0.851	81%	0.814	S	S	*	*			trans	-123.4	130.2	159	-80.2	-78.5	0	0	0	109
87	A	31.4	Very low	29.1	Very low	81 Å²	81	149 Å²	149	67%	0.669	81%	0.811	S	S	*	*			trans	-96.5	152.8	-172.5	0	0	0	0	0	112.5
88	D	26.7	Very low	29.3	Very low	150 Å²	150	149.3 Å²	149.3	80%	0.802	81%	0.814	S	S	*	*			trans	28.4	121.6	141.4	-48.5	-32.6	0	0	0	120.1
89	V	33.9	Very low	29.1	Very low	147 Å²	147	148.8 Å²	148.8	89%	0.891	81%	0.807	S	S	*	*			trans	-133.3	112.7	149.5	-179.7	0	0	0	0	107.9
90	E	27.6	Very low	28.9	Very low	192 Å²	192	150.7 Å²	150.7	90%	0.897	81%	0.81	S	S	*	*			trans	-79.6	159.4	173.6	-63.6	179.6	128.6	0	0	111.7
91	G	32.4	Very low	28.9	Very low	75 Å²	75	148.8 Å²	148.8	77%	0.773	81%	0.811	S	S	*	*			trans	-178.9	121.9	175.7	0	0	0	0	0	113.6
92	D	32.7	Very low	28.8	Very low	143 Å²	143	148.7 Å²	148.7	77%	0.765	82%	0.816	S	S	*	*			trans	-78.9	140.1	-163.5	-80.7	-66.6	0	0	0	118.2
93	I	26.6	Very low	28.7	Very low	146 Å²	146	142.9 Å²	142.9	75%	0.749	81%	0.805	S	S	*	*				33.3	141.2	109.7	-66.2	174.5	0	0	0	117.2
94	P	31.7	Very low	29	Very low	122 Å²	122	143.2 Å²	143.2	79%	0.792	81%	0.807	S	S	*	*			cis	-140.3	175.9	38.6	19.2	8.5	0	0	0	120
95	Q	28.7	Very low	29.1	Very low	184 Å²	184	143.9 Å²	143.9	86%	0.86	81%	0.81	S	S	*	*			trans	-77.8	161.8	170.7	-58.2	167.2	-26.6	0	0	113.3
96	Q	33	Very low	29.7	Very low	201 Å²	201	140.9 Å²	140.9	94%	0.939	80%	0.8	S	S	*	*			trans	-143.5	139.2	150.4	-120	178.6	1.2	0	0	112
97	Q	28	Very low	29.7	Very low	165 Å²	165	137 Å²	137	77%	0.771	80%	0.797	S	S	*	*			trans	-89.3	162	179.8	-61.7	164.9	-42.9	0	0	111.2
98	C	28.8	Very low	29.7	Very low	135 Å²	135	138.1 Å²	138.1	91%	0.912	80%	0.8	S	S	*	*			trans	-155.5	148.1	141	-134.1	0	0	0	0	111.7
99	N	28.3	Very low	30.1	Very low	132 Å²	132	139.4 Å²	139.4	71%	0.706	80%	0.801	S	S	*	*			trans	-108	164.6	-160.5	-74.7	-28.6	0	0	0	115.3
100	S	25.4	Very low	30	Very low	104 Å²	104	141 Å²	141	73%	0.727	80%	0.799	S	S	*	*			trans	-15.1	144.7	159.2	56.4	0	0	0	0	120.9
101	V	30.4	Very low	30.3	Very low	147 Å²	147	139.3 Å²	139.3	89%	0.891	79%	0.794	S	S	*	*			trans	-136.8	145.1	145.8	-179	0	0	0	0	109.6
102	T	26	Very low	30.1	Very low	141 Å²	141	143.9 Å²	143.9	87%	0.865	79%	0.793	S	S	*	*			trans	-120	161.8	-170.7	41.1	0	0	0	0	113.5
103	G	30.4	Very low	29.9	Very low	64 Å²	64	143.2 Å²	143.2	66%	0.66	79%	0.789	S	S	*	*			trans	161.3	99.1	169.2	0	0	0	0	0	112.2
104	Q	32.6	Very low	30.2	Very low	183 Å²	183	141.3 Å²	141.3	86%	0.855	79%	0.789	S	S	*	*				67.9	109.7	94.6	-69.6	-177.5	-18.7	0	0	114.5
105	I	28	Very low	30.1	Very low	154 Å²	154	141.6 Å²	141.6	79%	0.79	79%	0.788	S	S	*	*				92.5	138.8	59	-79	171.5	0	0	0	112.1
106	P	34	Very low	30.1	Very low	98 Å²	98	139.9 Å²	139.9	64%	0.636	78%	0.784	S	S	*	*			cis	-151.9	-168.2	-27.5	46.4	-26.1	0	0	0	116.5
107	S	28	Very low	29.8	Very low	113 Å²	113	135.2 Å²	135.2	79%	0.79	77%	0.774	S	S	*	*			trans	65	157.8	145	-56.4	0	0	0	0	121.2
108	S	30	Very low	30.1	Very low	104 Å²	104	135 Å²	135	73%	0.727	77%	0.77	S	S	*	*			cis	-162.5	-177.6	2.9	-144.9	0	0	0	0	113.8
109	Q	36.3	Very low	30.3	Very low	178 Å²	178	134.7 Å²	134.7	83%	0.832	77%	0.767	S	S	*	*			trans	73.2	122.9	165.3	-64.4	163	-4.4	0	0	117.5
110	Q	32.1	Very low	30.4	Very low	181 Å²	181	134.1 Å²	134.1	85%	0.846	76%	0.764	S	S	*	*			cis	101.2	151.1	32.6	-82.5	-153.9	-10.4	0	0	115.2
111	I	32.7	Very low	30.6	Very low	155 Å²	155	137.5 Å²	137.5	80%	0.795	77%	0.774	S	S	*	*			trans	109.9	101	179	-62.1	161.5	0	0	0	110.6
112	K	27.6	Very low	30.4	Very low	171 Å²	171	133.3 Å²	133.3	74%	0.743	76%	0.76	S	S	*	*				70.9	143.6	70	-70.2	-173.3	163.9	-166.7	0	113.1
113	D	29.7	Very low	30.5	Very low	129 Å²	129	133.4 Å²	133.4	69%	0.69	76%	0.761	S	S	*	*			cis	-165.5	179.2	-7	-101.9	-28.7	0	0	0	108.6
114	S	32.7	Very low	30.4	Very low	106 Å²	106	139.2 Å²	139.2	74%	0.741	77%	0.768	S	S	*	*			trans	82.4	119	155.3	-67.1	0	0	0	0	119.8
115	V	28.8	Very low	30.3	Very low	128 Å²	128	138 Å²	138	78%	0.776	77%	0.767	S	S	*	*				89.8	134.1	60.3	163.3	0	0	0	0	110.4
116	L	28.4	Very low	30.3	Very low	149 Å²	149	135.7 Å²	135.7	78%	0.78	76%	0.762	S	S	*	*			cis	-158	151.1	38.6	-160.7	46.7	0	0	0	113.8
117	S	28.3	Very low	30	Very low	103 Å²	103	137.9 Å²	137.9	72%	0.72	77%	0.773	S	S	*	*			trans	56.5	136.2	141.8	63.4	0	0	0	0	127.1
118	K	33	Very low	29.9	Very low	159 Å²	159	138 Å²	138	69%	0.691	77%	0.769	S	S	*	*			trans	-86.2	176	150.9	-57.6	179.9	156.4	-155.8	0	111.6	D120	K118-D120 WeakPolarHBondContact CD-OD2 3.11Å; K118-D120 IonicContact NZ-OD1 2.76Å; K118-D120 PolarHBondContact NZ-OD1 3.46Å; K118-D120 IonicContact NZ-OD2 3.74Å
119	P	34.4	Very low	29.7	Very low	130 Å²	130	138.5 Å²	138.5	84%	0.844	77%	0.769	S	S	*	*				-126.6	-153.9	81.6	22.1	-3.2	0	0	0	115.1
120	D	29.3	Very low	29.2	Very low	120 Å²	120	135.2 Å²	135.2	64%	0.642	77%	0.773	S	S	*	*			trans	-140.1	-132.7	-156.8	-55.5	-102.4	0	0	0	111.1	K118	K118-D120 WeakPolarHBondContact CD-OD2 3.11Å; K118-D120 IonicContact NZ-OD1 2.76Å; K118-D120 PolarHBondContact NZ-OD1 3.46Å; K118-D120 IonicContact NZ-OD2 3.74Å
121	D	29	Very low	29.1	Very low	174 Å²	174	131.6 Å²	131.6	93%	0.93	77%	0.768	S	S	*	*			trans	82.6	146.9	179.6	-135.2	-7.5	0	0	0	118.8
122	G	27.1	Very low	28.9	Very low	59 Å²	59	130 Å²	130	61%	0.608	77%	0.77	S	S	*	*			trans	-137.8	175.7	-162	0	0	0	0	0	117
123	T	28.9	Very low	29.3	Very low	144 Å²	144	126.3 Å²	126.3	88%	0.883	76%	0.757	S	S	*	*			trans	-165.2	156.5	160.2	-71.5	0	0	0	0	109.4
124	F	28.6	Very low	29.3	Very low	186 Å²	186	125.3 Å²	125.3	82%	0.816	76%	0.758	S	S	*	*			trans	-78.4	169.5	-172.7	-89.2	-108.7	0	0	0	116.1
125	L	29.1	Very low	29.5	Very low	157 Å²	157	125.7 Å²	125.7	82%	0.822	76%	0.756	S	S	*	*			trans	83.7	157.2	159.5	-48.7	-173.2	0	0	0	117.7
126	P	27.5	Very low	29.8	Very low	106 Å²	106	123.3 Å²	123.3	69%	0.688	76%	0.757	S	S	*	*			cis	-126.3	-166.7	-22.5	28.3	-6.2	0	0	0	112.5
127	V	28.8	Very low	30.3	Very low	144 Å²	144	120.9 Å²	120.9	87%	0.873	75%	0.753	S	S	*	*			trans	-55.9	131.1	167.8	176.8	0	0	0	0	111.1
128	V	25.8	Very low	30.8	Very low	116 Å²	116	119.5 Å²	119.5	70%	0.703	74%	0.736	S	S	*	*			trans	-128.1	141.6	172.5	-179.6	0	0	0	0	109.8
129	P	25.6	Very low	30.9	Very low	113 Å²	113	120.8 Å²	120.8	73%	0.734	74%	0.742	S	S	*	*			trans	-78.2	178.4	-170.9	-10.4	28.4	0	0	0	114.3	S131	P129-S131 PolarHBondContact O-N 2.8Å
130	A	26.8	Very low	31.2	Very low	110 Å²	110	118.7 Å²	118.7	91%	0.909	74%	0.736	S	S	*	*	S	Bend	trans	-65.4	87.5	-177.4	0	0	0	0	0	114.3
131	S	28.6	Very low	31.8	Very low	105 Å²	105	118.7 Å²	118.7	73%	0.734	74%	0.74	S	S	*	*			trans	-173.6	70.8	157	57.8	0	0	0	0	113	P129	P129-S131 PolarHBondContact O-N 2.8Å
132	S	29.6	Very low	32.4	Very low	120 Å²	120	113.9 Å²	113.9	84%	0.839	71%	0.714	S	S	*	*			trans	-166.4	107.7	165.8	-83.9	0	0	0	0	112
133	I	34.7	Very low	33.2	Very low	94 Å²	94	115.2 Å²	115.2	48%	0.482	71%	0.712	S	S	.	*			trans	-94.9	123.3	167.9	-61.8	174	0	0	0	108	V135 V161 I165	I133-V135 PolarHBondContact O-N 2.83Å; I133-V161 HydrophobicContact CD1-CG1 4.05Å; I133-I165 HydrophobicContact CD1-CD1 4.43Å; I133-I165 HydrophobicContact CD1-CG1 4.14Å
134	P	30.1	Very low	33.7	Very low	108 Å²	108	116.6 Å²	116.6	70%	0.701	71%	0.714	S	S	*	*			trans	-67.8	117.5	175.8	27	-32.6	0	0	0	110.1	G136	P134-G136 PolarHBondContact O-N 3.33Å; P134-G136 VanDerWaalsContact O-N 3.07Å
135	V	37.1	Very low	34.6	Very low	114 Å²	114	111.2 Å²	111.2	69%	0.691	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-64.7	-15.4	-173.1	-175.6	0	0	0	0	113	I133 S137 I138	I133-V135 PolarHBondContact O-N 2.83Å; V135-S137 PolarHBondContact O-N 2.63Å; V135-I138 HydrophobicContact CG1-CD1 4.49Å
136	G	35.4	Very low	35.3	Very low	79 Å²	79	111.5 Å²	111.5	81%	0.814	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-71	11.7	-173.9	0	0	0	0	0	118	P134	P134-G136 PolarHBondContact O-N 3.33Å; P134-G136 VanDerWaalsContact O-N 3.07Å
137	S	38.5	Very low	36.3	Very low	98 Å²	98	115 Å²	115	69%	0.685	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-128	4.9	177.8	-68.5	0	0	0	0	115.1	V135 F139	V135-S137 PolarHBondContact O-N 2.63Å; S137-F139 VanDerWaalsContact C-N 3.31Å; S137-F139 PolarHBondContact O-N 3.23Å
138	I	38.4	Very low	37.6	Very low	73 Å²	73	111 Å²	111	37%	0.374	69%	0.693	S	S	.	*	G	3₁₀ helix	trans	-75.3	-17.7	-174.8	-63.3	178.5	0	0	0	112.8	V135 A140 A157 V161	V135-I138 HydrophobicContact CG1-CD1 4.49Å; I138-A140 PolarHBondContact O-N 2.9Å; I138-A157 HydrophobicContact CG2-CB 3.86Å; I138-V161 HydrophobicContact CD1-CG2 3.91Å
139	F	35.2	Very low	40	Very low	186 Å²	186	109.1 Å²	109.1	82%	0.816	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-83.4	-0.2	179.9	-81.8	-81.6	0	0	0	115.9	S137 V141	S137-F139 VanDerWaalsContact C-N 3.31Å; S137-F139 PolarHBondContact O-N 3.23Å; F139-V141 PolarHBondContact O-N 2.83Å
140	A	40.7	Very low	42	Very low	86 Å²	86	110.2 Å²	110.2	71%	0.711	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-79.7	-11.3	-167.8	0	0	0	0	0	116.1	I138	I138-A140 PolarHBondContact O-N 2.9Å
141	V	42.2	Very low	44.2	Very low	120 Å²	120	110.6 Å²	110.6	73%	0.727	66%	0.661	S	S	*	*			trans	-142.9	72.7	-177.4	-165.5	0	0	0	0	111.6	F139	F139-V141 PolarHBondContact O-N 2.83Å
142	L	42.3	Very low	46.2	Very low	73 Å²	73	109.6 Å²	109.6	38%	0.382	65%	0.645	S	S	.	*			trans	-99.9	135.3	156.5	-75.1	172.4	0	0	0	108.8	N144 K153	L142-N144 PolarHBondContact O-N 3.04Å; L142-K153 HydrophobicContact CD1-CD 4.27Å; L142-K153 HydrophobicContact CD2-CB 4.49Å; L142-K153 HydrophobicContact CD2-CG 4.2Å
143	P	42.8	Very low	48.1	Very low	88 Å²	88	107 Å²	107	57%	0.571	62%	0.619	S	S	*	*			trans	-70.7	115.8	175.5	28.5	-32.4	0	0	0	109.8	G145	P143-G145 PolarHBondContact O-N 2.92Å; P143-G145 VanDerWaalsContact O-N 3.08Å
144	N	41.2	Very low	49.8	Very low	173 Å²	173	108.6 Å²	108.6	93%	0.925	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	106.5	167.8	-75.2	-18.4	0	0	0	109.1	L142	L142-N144 PolarHBondContact O-N 3.04Å
145	G	46.3	Very low	51.9	Low	73 Å²	73	110.8 Å²	110.8	75%	0.753	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	152.6	3.3	166.8	0	0	0	0	0	119.9	P143	P143-G145 PolarHBondContact O-N 2.92Å; P143-G145 VanDerWaalsContact O-N 3.08Å
146	Q	44.8	Very low	53.5	Low	162 Å²	162	108.2 Å²	108.2	76%	0.757	60%	0.604	S	S	*	*	S	Bend	trans	-138.3	142.2	176.8	-63.5	-174.9	-80.2	0	0	111.8	M148	Q146-M148 VanDerWaalsContact C-N 3.31Å; Q146-M148 PolarHBondContact O-N 2.99Å
147	D	47.7	Very low	54.9	Low	180 Å²	180	105.8 Å²	105.8	96%	0.963	58%	0.575	S	S	*	*			trans	-66.7	88.8	170.5	-81.7	-39.1	0	0	0	109.8
148	M	55.1	Low	56.8	Low	59 Å²	59	105.3 Å²	105.3	29%	0.291	57%	0.568	S	S	.	*			trans	-97	130.7	169.7	-70.8	-101.5	-64.1	0	0	108.8	Q146 E152 K153 L156	Q146-M148 VanDerWaalsContact C-N 3.31Å; Q146-M148 PolarHBondContact O-N 2.99Å; M148-E152 HydrophobicContact CE-CB 3.75Å; M148-E152 HydrophobicContact SD-CB 4.07Å; M148-K153 HydrophobicContact CB-CG 4.25Å; M148-K153 VanDerWaalsContact O-CE 3.3Å; M148-K153 WeakPolarHBondContact O-CE 3.32Å; M148-L156 HydrophobicContact CE-CD2 4.4Å
149	T	76.7	Confident	58.5	Low	78 Å²	78	105.3 Å²	105.3	48%	0.479	57%	0.569	S	S	.	*			trans	-61.9	153.6	171.5	61.9	0	0	0	0	110.8	E151 E152 K153	T149-E151 PolarHBondContact O-N 2.97Å; T149-E152 WeakPolarHBondContact CB-OE2 3.45Å; T149-E152 PolarHBondContact N-OE2 3.49Å; T149-E152 PolarHBondContact O-N 3.02Å; T149-E152 VanDerWaalsContact O-N 3.1Å; T149-E152 VanDerWaalsContact OG1-CD 3.28Å; T149-E152 VanDerWaalsContact OG1-CG 3.26Å; T149-E152 WeakPolarHBondContact OG1-CG 3.23Å; T149-E152 PolarHBondContact OG1-N 3.3Å; T149-E152 PolarHBondContact OG1-OE2 3.05Å; T149-K153 PolarHBondContact O-N 3Å; T149-K153 VanDerWaalsContact O-N 3.09Å
150	E	68	Low	60.2	Low	135 Å²	135	100 Å²	100	63%	0.631	55%	0.549	S	S	*	.	H	α-helix	trans	-58	-30.2	174.4	-71.1	-57.1	129	0	0	111.9	K153 L154	E150-K153 PolarHBondContact O-N 2.9Å; E150-K153 IonicContact OE1-NZ 2.83Å; E150-K153 PolarHBondContact OE1-NZ 3.28Å; E150-L154 WeakPolarHBondContact O-CB 3.23Å; E150-L154 PolarHBondContact O-N 3.18Å
151	E	72.1	Confident	61.7	Low	118 Å²	118	98 Å²	98	55%	0.551	53%	0.528	S	S	*	.	H	α-helix	trans	-66.7	-40.4	175.9	-153.8	-171.8	153.5	0	0	112.3	T149 L154 R155	T149-E151 PolarHBondContact O-N 2.97Å; E151-L154 PolarHBondContact O-N 3.24Å; E151-R155 VanDerWaalsContact O-CG 3.28Å; E151-R155 WeakPolarHBondContact O-CG 3.41Å; E151-R155 PolarHBondContact O-N 3.22Å; E151-R155 IonicContact OE1-CZ 3.62Å; E151-R155 IonicContact OE1-NE 3.19Å; E151-R155 PolarHBondContact OE1-NE 3.15Å; E151-R155 IonicContact OE1-NH2 3.11Å; E151-R155 PolarHBondContact OE1-NH2 3.27Å
152	E	72.2	Confident	63.5	Low	85 Å²	85	99.7 Å²	99.7	40%	0.397	52%	0.521	S	S	.	.	H	α-helix	trans	-68.5	-37.6	175.2	-71.5	162.2	129.7	0	0	112.2	M148 T149 L154 R155 L156	M148-E152 HydrophobicContact CE-CB 3.75Å; M148-E152 HydrophobicContact SD-CB 4.07Å; T149-E152 WeakPolarHBondContact CB-OE2 3.45Å; T149-E152 PolarHBondContact N-OE2 3.49Å; T149-E152 PolarHBondContact O-N 3.02Å; T149-E152 VanDerWaalsContact O-N 3.1Å; T149-E152 VanDerWaalsContact OG1-CD 3.28Å; T149-E152 VanDerWaalsContact OG1-CG 3.26Å; T149-E152 WeakPolarHBondContact OG1-CG 3.23Å; T149-E152 PolarHBondContact OG1-N 3.3Å; T149-E152 PolarHBondContact OG1-OE2 3.05Å; E152-L154 VanDerWaalsContact C-N 3.32Å; E152-R155 PolarHBondContact O-N 3.27Å; E152-L156 WeakPolarHBondContact O-CB 3.2Å; E152-L156 PolarHBondContact O-N 3.11Å
153	K	67.8	Low	65.1	Low	66 Å²	66	102.4 Å²	102.4	29%	0.287	53%	0.526	S	S	.	.	H	α-helix	trans	-61.3	-42.8	172	-64.1	175.1	-165.7	167.9	0	110.9	L142 M148 T149 E150 L156 A157	L142-K153 HydrophobicContact CD1-CD 4.27Å; L142-K153 HydrophobicContact CD2-CB 4.49Å; L142-K153 HydrophobicContact CD2-CG 4.2Å; M148-K153 HydrophobicContact CB-CG 4.25Å; M148-K153 VanDerWaalsContact O-CE 3.3Å; M148-K153 WeakPolarHBondContact O-CE 3.32Å; T149-K153 PolarHBondContact O-N 3Å; T149-K153 VanDerWaalsContact O-N 3.09Å; E150-K153 PolarHBondContact O-N 2.9Å; E150-K153 IonicContact OE1-NZ 2.83Å; E150-K153 PolarHBondContact OE1-NZ 3.28Å; K153-L156 PolarHBondContact O-N 2.75Å; K153-A157 WeakPolarHBondContact O-CB 3.4Å; K153-A157 PolarHBondContact O-N 2.88Å
154	L	71	Confident	66.5	Low	126 Å²	126	100.5 Å²	100.5	66%	0.66	52%	0.519	S	S	*	.	H	α-helix	trans	-65.7	-45.2	178.1	-150	78.6	0	0	0	111.7	E150 E151 E152 L156 A157 V158	E150-L154 WeakPolarHBondContact O-CB 3.23Å; E150-L154 PolarHBondContact O-N 3.18Å; E151-L154 PolarHBondContact O-N 3.24Å; E152-L154 VanDerWaalsContact C-N 3.32Å; L154-L156 PolarHBondContact O-N 3.34Å; L154-A157 PolarHBondContact O-N 2.89Å; L154-V158 WeakPolarHBondContact O-CG2 3.14Å; L154-V158 PolarHBondContact O-N 2.78Å
155	R	74.3	Confident	68.3	Low	154 Å²	154	95.6 Å²	95.6	58%	0.581	49%	0.491	S	S	*	.	H	α-helix	trans	-59.1	-46.2	174.9	-71.9	172.9	-173	-163.1	4.3	111.5	E151 E152 A157 V158 D159	E151-R155 VanDerWaalsContact O-CG 3.28Å; E151-R155 WeakPolarHBondContact O-CG 3.41Å; E151-R155 PolarHBondContact O-N 3.22Å; E151-R155 IonicContact OE1-CZ 3.62Å; E151-R155 IonicContact OE1-NE 3.19Å; E151-R155 PolarHBondContact OE1-NE 3.15Å; E151-R155 IonicContact OE1-NH2 3.11Å; E151-R155 PolarHBondContact OE1-NH2 3.27Å; E152-R155 PolarHBondContact O-N 3.27Å; R155-A157 VanDerWaalsContact C-N 3.34Å; R155-A157 PolarHBondContact O-N 3.49Å; R155-V158 PolarHBondContact O-N 2.97Å; R155-D159 PolarHBondContact O-N 3.32Å
156	L	71.7	Confident	69.9	Low	61 Å²	61	97.3 Å²	97.3	32%	0.319	48%	0.48	S	S	.	.	H	α-helix	trans	-63.4	-38.3	178.2	-168.5	71.3	0	0	0	112.4	M148 E152 K153 L154 D159 N160	M148-L156 HydrophobicContact CE-CD2 4.4Å; E152-L156 WeakPolarHBondContact O-CB 3.2Å; E152-L156 PolarHBondContact O-N 3.11Å; K153-L156 PolarHBondContact O-N 2.75Å; L154-L156 PolarHBondContact O-N 3.34Å; L156-D159 PolarHBondContact O-N 3.35Å; L156-N160 WeakPolarHBondContact O-CB 3.24Å; L156-N160 PolarHBondContact O-N 2.94Å; L156-N160 PolarHBondContact O-ND2 3.46Å
157	A	64.9	Low	71.4	Confident	27 Å²	27	94.9 Å²	94.9	22%	0.223	47%	0.469	C	S	.	.	H	α-helix	trans	-63.7	-44.9	174.3	0	0	0	0	0	111.9	I138 K153 L154 R155 N160 V161	I138-A157 HydrophobicContact CG2-CB 3.86Å; K153-A157 WeakPolarHBondContact O-CB 3.4Å; K153-A157 PolarHBondContact O-N 2.88Å; L154-A157 PolarHBondContact O-N 2.89Å; R155-A157 VanDerWaalsContact C-N 3.34Å; R155-A157 PolarHBondContact O-N 3.49Å; A157-N160 PolarHBondContact O-N 3.23Å; A157-V161 WeakPolarHBondContact O-CG2 3.29Å; A157-V161 PolarHBondContact O-N 3.05Å
158	V	76.5	Confident	72.4	Confident	88 Å²	88	90.5 Å²	90.5	53%	0.533	45%	0.448	S	S	.	.	H	α-helix	trans	-61.8	-43.7	176.1	171.5	0	0	0	0	111.5	L154 R155 N160 V161 R162	L154-V158 WeakPolarHBondContact O-CG2 3.14Å; L154-V158 PolarHBondContact O-N 2.78Å; R155-V158 PolarHBondContact O-N 2.97Å; V158-N160 VanDerWaalsContact C-N 3.32Å; V158-N160 PolarHBondContact O-N 3.23Å; V158-V161 PolarHBondContact O-N 3.23Å; V158-R162 WeakPolarHBondContact O-CB 3.26Å; V158-R162 PolarHBondContact O-N 3.24Å
159	D	75.2	Confident	73.6	Confident	74 Å²	74	92.8 Å²	92.8	40%	0.396	46%	0.458	S	S	.	.	H	α-helix	trans	-69.2	-27	177.8	-83.7	-22.7	0	0	0	113.8	R155 L156 R163	R155-D159 PolarHBondContact O-N 3.32Å; L156-D159 PolarHBondContact O-N 3.35Å; D159-R163 WeakPolarHBondContact O-CB 3.43Å; D159-R163 WeakPolarHBondContact O-CG 3.4Å; D159-R163 PolarHBondContact O-N 2.6Å; D159-R163 PolarHBondContact O-NE 2.91Å
160	N	70.2	Confident	73.9	Confident	73 Å²	73	95 Å²	95	39%	0.39	46%	0.461	S	S	.	.	H	α-helix	trans	-70.7	-44	170.8	-74.5	-24.7	0	0	0	111	L156 A157 V158 R163 A164	L156-N160 WeakPolarHBondContact O-CB 3.24Å; L156-N160 PolarHBondContact O-N 2.94Å; L156-N160 PolarHBondContact O-ND2 3.46Å; A157-N160 PolarHBondContact O-N 3.23Å; V158-N160 VanDerWaalsContact C-N 3.32Å; V158-N160 PolarHBondContact O-N 3.23Å; N160-R163 PolarHBondContact O-N 3.11Å; N160-R163 PolarHBondContact OD1-NH2 3.25Å; N160-A164 PolarHBondContact O-N 3.49Å
161	V	73.1	Confident	74.2	Confident	45 Å²	45	96.1 Å²	96.1	27%	0.273	46%	0.46	S	S	.	.	H	α-helix	trans	-63	-45.1	175.5	172.3	0	0	0	0	111.1	I133 I138 A157 V158 R163 A164 I165	I133-V161 HydrophobicContact CD1-CG1 4.05Å; I138-V161 HydrophobicContact CD1-CG2 3.91Å; A157-V161 WeakPolarHBondContact O-CG2 3.29Å; A157-V161 PolarHBondContact O-N 3.05Å; V158-V161 PolarHBondContact O-N 3.23Å; V161-R163 PolarHBondContact O-N 3.08Å; V161-A164 PolarHBondContact O-N 2.89Å; V161-I165 HydrophobicContact CG1-CD1 3.99Å; V161-I165 WeakPolarHBondContact O-CG1 3.5Å; V161-I165 PolarHBondContact O-N 3.08Å
162	R	78.8	Confident	74.1	Confident	155 Å²	155	93.4 Å²	93.4	59%	0.585	45%	0.454	S	S	*	.	H	α-helix	trans	-58.4	-43.8	176.7	-178.6	-179.5	-109	171.5	-6.6	112.2	V158 I165 Q166	V158-R162 WeakPolarHBondContact O-CB 3.26Å; V158-R162 PolarHBondContact O-N 3.24Å; R162-I165 PolarHBondContact O-N 3.13Å; R162-Q166 WeakPolarHBondContact O-CG 3.38Å; R162-Q166 PolarHBondContact O-N 2.77Å; R162-Q166 VanDerWaalsContact O-N 3.16Å
163	R	77.5	Confident	74.5	Confident	130 Å²	130	94.1 Å²	94.1	49%	0.491	46%	0.457	S	S	.	.	H	α-helix	trans	-65.4	-40	175.5	-84.2	178.1	-77.3	161	-5	112.8	D159 N160 V161 I165 Q166 E167	D159-R163 WeakPolarHBondContact O-CB 3.43Å; D159-R163 WeakPolarHBondContact O-CG 3.4Å; D159-R163 PolarHBondContact O-N 2.6Å; D159-R163 PolarHBondContact O-NE 2.91Å; N160-R163 PolarHBondContact O-N 3.11Å; N160-R163 PolarHBondContact OD1-NH2 3.25Å; V161-R163 PolarHBondContact O-N 3.08Å; R163-I165 VanDerWaalsContact C-N 3.35Å; R163-I165 PolarHBondContact O-N 3.35Å; R163-Q166 PolarHBondContact O-N 3.44Å; R163-E167 PolarHBondContact O-N 3.31Å
164	A	72.1	Confident	74.9	Confident	49 Å²	49	96.1 Å²	96.1	41%	0.405	47%	0.468	S	S	.	.	H	α-helix	trans	-61.7	-42.3	177	0	0	0	0	0	112	N160 V161 E167 T168	N160-A164 PolarHBondContact O-N 3.49Å; V161-A164 PolarHBondContact O-N 2.89Å; A164-E167 PolarHBondContact O-N 3.3Å; A164-T168 PolarHBondContact O-N 3.38Å; A164-T168 VanDerWaalsContact O-N 3.12Å; A164-T168 PolarHBondContact O-OG1 3Å
165	I	78	Confident	74.9	Confident	69 Å²	69	96.6 Å²	96.6	35%	0.354	47%	0.468	S	S	.	.	H	α-helix	trans	-60.1	-51.9	175.4	-66.8	165.9	0	0	0	110.4	I133 V161 R162 R163 E167 T168 E169	I133-I165 HydrophobicContact CD1-CD1 4.43Å; I133-I165 HydrophobicContact CD1-CG1 4.14Å; V161-I165 HydrophobicContact CG1-CD1 3.99Å; V161-I165 WeakPolarHBondContact O-CG1 3.5Å; V161-I165 PolarHBondContact O-N 3.08Å; R162-I165 PolarHBondContact O-N 3.13Å; R163-I165 VanDerWaalsContact C-N 3.35Å; R163-I165 PolarHBondContact O-N 3.35Å; I165-E167 VanDerWaalsContact C-N 3.3Å; I165-E167 PolarHBondContact O-N 3.05Å; I165-T168 PolarHBondContact O-N 2.74Å; I165-T168 PolarHBondContact O-OG1 3.47Å; I165-E169 HydrophobicContact CG2-CG 4.4Å; I165-E169 PolarHBondContact O-N 3.21Å
166	Q	80.8	Confident	75	Confident	110 Å²	110	93 Å²	93	51%	0.514	46%	0.463	S	S	.	.	H	α-helix	trans	-58.3	-36.9	178.6	-72.2	178.1	-18.1	0	0	113.4	R162 R163 K170	R162-Q166 WeakPolarHBondContact O-CG 3.38Å; R162-Q166 PolarHBondContact O-N 2.77Å; R162-Q166 VanDerWaalsContact O-N 3.16Å; R163-Q166 PolarHBondContact O-N 3.44Å; Q166-K170 VanDerWaalsContact O-CB 3.3Å; Q166-K170 WeakPolarHBondContact O-CB 3.42Å; Q166-K170 PolarHBondContact O-N 3.34Å
167	E	75.5	Confident	75.3	Confident	111 Å²	111	95.2 Å²	95.2	52%	0.519	47%	0.47	S	S	.	.	H	α-helix	trans	-67	-36.9	173.7	-78.5	-162.4	-168.7	0	0	112.9	R163 A164 I165 R171	R163-E167 PolarHBondContact O-N 3.31Å; A164-E167 PolarHBondContact O-N 3.3Å; I165-E167 VanDerWaalsContact C-N 3.3Å; I165-E167 PolarHBondContact O-N 3.05Å; E167-R171 WeakPolarHBondContact O-CG 3.43Å; E167-R171 PolarHBondContact O-N 3.21Å; E167-R171 IonicContact OE2-NH2 3.12Å; E167-R171 PolarHBondContact OE2-NH2 3.27Å; E167-R171 VanDerWaalsContact OE2-NH2 3.1Å
168	T	69.7	Low	75.4	Confident	87 Å²	87	100.1 Å²	100.1	53%	0.534	49%	0.487	S	S	.	.	H	α-helix	trans	-70.1	-41.9	177	56.2	0	0	0	0	112.6	A164 I165 R171 S172	A164-T168 PolarHBondContact O-N 3.38Å; A164-T168 VanDerWaalsContact O-N 3.12Å; A164-T168 PolarHBondContact O-OG1 3Å; I165-T168 PolarHBondContact O-N 2.74Å; I165-T168 PolarHBondContact O-OG1 3.47Å; T168-R171 PolarHBondContact O-N 2.85Å; T168-S172 PolarHBondContact O-N 2.99Å
169	E	80.8	Confident	75.2	Confident	107 Å²	107	102 Å²	102	50%	0.5	49%	0.488	S	S	.	.	H	α-helix	trans	-59.8	-48.6	174.6	-69.6	172.4	153.6	0	0	110.5	I165 R171 S172 E173	I165-E169 HydrophobicContact CG2-CG 4.4Å; I165-E169 PolarHBondContact O-N 3.21Å; E169-R171 PolarHBondContact O-N 2.92Å; E169-S172 PolarHBondContact O-N 3.03Å; E169-S172 VanDerWaalsContact O-N 3.09Å; E169-S172 PolarHBondContact O-OG 2.81Å; E169-E173 PolarHBondContact O-N 3.12Å
170	K	82.4	Confident	75.2	Confident	125 Å²	125	104.2 Å²	104.2	54%	0.543	50%	0.496	S	S	.	.	H	α-helix	trans	-59.4	-41.5	177.1	-173.6	-178.8	174.9	-168.2	0	113	Q166 S172 E173 E174	Q166-K170 VanDerWaalsContact O-CB 3.3Å; Q166-K170 WeakPolarHBondContact O-CB 3.42Å; Q166-K170 PolarHBondContact O-N 3.34Å; K170-S172 VanDerWaalsContact C-N 3.33Å; K170-E173 PolarHBondContact O-N 3.12Å; K170-E174 WeakPolarHBondContact CE-OE1 3.49Å; K170-E174 IonicContact NZ-OE1 3.18Å; K170-E174 WeakPolarHBondContact O-CG 3.35Å; K170-E174 PolarHBondContact O-N 3.45Å
171	R	73.9	Confident	75.3	Confident	158 Å²	158	105.1 Å²	105.1	60%	0.596	50%	0.504	S	S	*	.	H	α-helix	trans	-66.1	-36.1	175.9	-73.5	177.6	-161.7	176.5	11.6	112	E167 T168 E169 E174 M175	E167-R171 WeakPolarHBondContact O-CG 3.43Å; E167-R171 PolarHBondContact O-N 3.21Å; E167-R171 IonicContact OE2-NH2 3.12Å; E167-R171 PolarHBondContact OE2-NH2 3.27Å; E167-R171 VanDerWaalsContact OE2-NH2 3.1Å; T168-R171 PolarHBondContact O-N 2.85Å; E169-R171 PolarHBondContact O-N 2.92Å; R171-E174 PolarHBondContact O-N 3.31Å; R171-M175 WeakPolarHBondContact O-CB 3.47Å; R171-M175 PolarHBondContact O-N 2.95Å
172	S	69.7	Low	74.9	Confident	62 Å²	62	106.1 Å²	106.1	43%	0.434	51%	0.507	S	S	.	.	H	α-helix	trans	-66.8	-42.1	175.9	76.6	0	0	0	0	111.7	T168 E169 K170 M175 T176	T168-S172 PolarHBondContact O-N 2.99Å; E169-S172 PolarHBondContact O-N 3.03Å; E169-S172 VanDerWaalsContact O-N 3.09Å; E169-S172 PolarHBondContact O-OG 2.81Å; K170-S172 VanDerWaalsContact C-N 3.33Å; S172-M175 PolarHBondContact O-N 3.28Å; S172-T176 WeakPolarHBondContact O-CG2 3.3Å; S172-T176 PolarHBondContact O-N 3.25Å; S172-T176 PolarHBondContact O-OG1 3.28Å
173	E	80.2	Confident	74.4	Confident	100 Å²	100	102.7 Å²	102.7	47%	0.467	50%	0.498	S	S	.	.	H	α-helix	trans	-63.2	-42.2	172.7	-77.2	-168.7	-154.6	0	0	113.5	E169 K170 M175 T176 K177	E169-E173 PolarHBondContact O-N 3.12Å; K170-E173 PolarHBondContact O-N 3.12Å; E173-M175 VanDerWaalsContact C-N 3.27Å; E173-M175 PolarHBondContact O-N 3.08Å; E173-T176 WeakPolarHBondContact CA-OG1 3.42Å; E173-T176 PolarHBondContact O-N 3.26Å; E173-T176 PolarHBondContact O-OG1 3.22Å; E173-K177 WeakPolarHBondContact O-CB 3.42Å; E173-K177 WeakPolarHBondContact O-CD 3.36Å; E173-K177 WeakPolarHBondContact O-CG 3.16Å; E173-K177 PolarHBondContact O-N 2.81Å; E173-K177 IonicContact OE2-NZ 3.23Å; E173-K177 PolarHBondContact OE2-NZ 3.13Å
174	E	76.4	Confident	73.9	Confident	108 Å²	108	99.9 Å²	99.9	51%	0.505	50%	0.495	S	S	.	.	H	α-helix	trans	-64.2	-36.7	177.4	-75.9	176.9	173.5	0	0	110.8	K170 R171 F178	K170-E174 WeakPolarHBondContact CE-OE1 3.49Å; K170-E174 IonicContact NZ-OE1 3.18Å; K170-E174 WeakPolarHBondContact O-CG 3.35Å; K170-E174 PolarHBondContact O-N 3.45Å; R171-E174 PolarHBondContact O-N 3.31Å; E174-F178 WeakPolarHBondContact O-CB 3.29Å; E174-F178 PolarHBondContact O-N 2.85Å
175	M	70.5	Confident	73.7	Confident	136 Å²	136	104.8 Å²	104.8	67%	0.67	50%	0.503	S	S	*	.	H	α-helix	trans	-70.7	-39.5	176.3	-170.7	167.9	65.1	0	0	112.9	R171 S172 E173 F178 K179	R171-M175 WeakPolarHBondContact O-CB 3.47Å; R171-M175 PolarHBondContact O-N 2.95Å; S172-M175 PolarHBondContact O-N 3.28Å; E173-M175 VanDerWaalsContact C-N 3.27Å; E173-M175 PolarHBondContact O-N 3.08Å; M175-F178 PolarHBondContact O-N 3.46Å; M175-K179 PolarHBondContact O-N 2.71Å
176	T	77.5	Confident	73.2	Confident	77 Å²	77	104.9 Å²	104.9	47%	0.472	50%	0.504	S	S	.	.	H	α-helix	trans	-68.5	-42.2	175.5	56.1	0	0	0	0	111.8	S172 E173 F178 K179 Q180	S172-T176 WeakPolarHBondContact O-CG2 3.3Å; S172-T176 PolarHBondContact O-N 3.25Å; S172-T176 PolarHBondContact O-OG1 3.28Å; E173-T176 WeakPolarHBondContact CA-OG1 3.42Å; E173-T176 PolarHBondContact O-N 3.26Å; E173-T176 PolarHBondContact O-OG1 3.22Å; T176-F178 VanDerWaalsContact C-N 3.33Å; T176-F178 PolarHBondContact O-N 3.08Å; T176-K179 PolarHBondContact O-N 2.89Å; T176-Q180 WeakPolarHBondContact O-CG 3.48Å; T176-Q180 PolarHBondContact O-N 3.22Å
177	K	78.2	Confident	72.5	Confident	108 Å²	108	104.6 Å²	104.6	47%	0.47	50%	0.503	S	S	.	.	H	α-helix	trans	-59.7	-42	172.9	-70.9	163.6	-167.9	161.8	0	111.4	E173 Q180 V181	E173-K177 WeakPolarHBondContact O-CB 3.42Å; E173-K177 WeakPolarHBondContact O-CD 3.36Å; E173-K177 WeakPolarHBondContact O-CG 3.16Å; E173-K177 PolarHBondContact O-N 2.81Å; E173-K177 IonicContact OE2-NZ 3.23Å; E173-K177 PolarHBondContact OE2-NZ 3.13Å; K177-Q180 PolarHBondContact O-N 3.27Å; K177-V181 WeakPolarHBondContact O-CG2 3.14Å; K177-V181 PolarHBondContact O-N 3.5Å; K177-V181 VanDerWaalsContact O-N 3.1Å
178	F	67.1	Low	72.2	Confident	130 Å²	130	105.5 Å²	105.5	57%	0.57	51%	0.511	S	S	*	.	H	α-helix	trans	-64.2	-41.1	175.6	-175	-107.6	0	0	0	112.4	E174 M175 T176 V181 L182	E174-F178 WeakPolarHBondContact O-CB 3.29Å; E174-F178 PolarHBondContact O-N 2.85Å; M175-F178 PolarHBondContact O-N 3.46Å; T176-F178 VanDerWaalsContact C-N 3.33Å; T176-F178 PolarHBondContact O-N 3.08Å; F178-V181 PolarHBondContact O-N 2.94Å; F178-L182 HydrophobicContact CD1-CD1 3.97Å; F178-L182 HydrophobicContact CE1-CD1 3.5Å; F178-L182 HydrophobicContact CE1-CG 4.27Å; F178-L182 HydrophobicContact CZ-CD1 3.94Å; F178-L182 HydrophobicContact CZ-CG 4.33Å; F178-L182 PolarHBondContact O-N 2.55Å; F178-L182 VanDerWaalsContact O-N 3.07Å
179	K	71.5	Confident	72	Confident	129 Å²	129	105 Å²	105	56%	0.561	50%	0.504	S	S	*	.	H	α-helix	trans	-61.4	-46.1	175.4	-164.2	-180	-172.1	-99.3	0	112	M175 T176 V181 L182 E183	M175-K179 PolarHBondContact O-N 2.71Å; T176-K179 PolarHBondContact O-N 2.89Å; K179-V181 VanDerWaalsContact C-N 3.33Å; K179-V181 PolarHBondContact O-N 2.47Å; K179-L182 PolarHBondContact O-N 2.6Å; K179-L182 VanDerWaalsContact O-N 3.15Å; K179-E183 WeakPolarHBondContact CE-OE1 3.47Å; K179-E183 IonicContact NZ-OE1 3.81Å; K179-E183 PolarHBondContact NZ-OE1 3.48Å; K179-E183 WeakPolarHBondContact O-CG 3.46Å; K179-E183 PolarHBondContact O-N 3.11Å
180	Q	74.5	Confident	71.2	Confident	120 Å²	120	100.6 Å²	100.6	56%	0.561	49%	0.485	S	S	*	.	H	α-helix	trans	-60.4	-38.6	176.2	-73	176.3	-16.6	0	0	112.9	T176 K177 E183 T184	T176-Q180 WeakPolarHBondContact O-CG 3.48Å; T176-Q180 PolarHBondContact O-N 3.22Å; K177-Q180 PolarHBondContact O-N 3.27Å; Q180-E183 PolarHBondContact O-N 3.04Å; Q180-T184 WeakPolarHBondContact O-CB 3.5Å; Q180-T184 WeakPolarHBondContact O-CG2 3.16Å; Q180-T184 PolarHBondContact O-N 3.05Å; Q180-T184 PolarHBondContact O-OG1 2.94Å
181	V	73.4	Confident	70.5	Confident	92 Å²	92	96.3 Å²	96.3	56%	0.558	47%	0.473	S	S	*	.	H	α-helix	trans	-67.3	-36.1	175.6	170.7	0	0	0	0	111.8	K177 F178 K179 T184 R185	K177-V181 WeakPolarHBondContact O-CG2 3.14Å; K177-V181 PolarHBondContact O-N 3.5Å; K177-V181 VanDerWaalsContact O-N 3.1Å; F178-V181 PolarHBondContact O-N 2.94Å; K179-V181 VanDerWaalsContact C-N 3.33Å; K179-V181 PolarHBondContact O-N 2.47Å; V181-T184 WeakPolarHBondContact CA-OG1 3.15Å; V181-T184 PolarHBondContact O-OG1 3.21Å; V181-R185 VanDerWaalsContact O-CB 3.31Å; V181-R185 WeakPolarHBondContact O-CB 3.33Å; V181-R185 PolarHBondContact O-N 3.49Å; V181-R185 VanDerWaalsContact O-N 3.08Å
182	L	63.7	Low	69.9	Low	66 Å²	66	91.4 Å²	91.4	35%	0.346	47%	0.466	S	S	.	.	H	α-helix	trans	-70.7	-43.1	174	-71.3	176.4	0	0	0	112.2	F178 K179 R185 N186	F178-L182 HydrophobicContact CD1-CD1 3.97Å; F178-L182 HydrophobicContact CE1-CD1 3.5Å; F178-L182 HydrophobicContact CE1-CG 4.27Å; F178-L182 HydrophobicContact CZ-CD1 3.94Å; F178-L182 HydrophobicContact CZ-CG 4.33Å; F178-L182 PolarHBondContact O-N 2.55Å; F178-L182 VanDerWaalsContact O-N 3.07Å; K179-L182 PolarHBondContact O-N 2.6Å; K179-L182 VanDerWaalsContact O-N 3.15Å; L182-R185 PolarHBondContact O-N 3.4Å; L182-N186 WeakPolarHBondContact O-CB 3.48Å; L182-N186 PolarHBondContact O-N 2.91Å; L182-N186 PolarHBondContact O-OD1 3.47Å
183	E	68.7	Low	69.6	Low	82 Å²	82	90.6 Å²	90.6	38%	0.383	46%	0.457	S	S	.	.	H	α-helix	trans	-61.6	-47.6	177.9	-74.5	168.7	-179.4	0	0	111.4	K179 Q180 R185 N186 Q187	K179-E183 WeakPolarHBondContact CE-OE1 3.47Å; K179-E183 IonicContact NZ-OE1 3.81Å; K179-E183 PolarHBondContact NZ-OE1 3.48Å; K179-E183 WeakPolarHBondContact O-CG 3.46Å; K179-E183 PolarHBondContact O-N 3.11Å; Q180-E183 PolarHBondContact O-N 3.04Å; E183-R185 PolarHBondContact O-N 3.03Å; E183-N186 PolarHBondContact O-N 3.13Å; E183-Q187 WeakPolarHBondContact O-CG 3.37Å; E183-Q187 PolarHBondContact O-N 2.99Å
184	T	67.7	Low	69	Low	71 Å²	71	87.1 Å²	87.1	44%	0.436	44%	0.441	S	S	.	.	H	α-helix	trans	-64.2	-38.4	175.3	47.1	0	0	0	0	112.8	Q180 V181 Q187 L188	Q180-T184 WeakPolarHBondContact O-CB 3.5Å; Q180-T184 WeakPolarHBondContact O-CG2 3.16Å; Q180-T184 PolarHBondContact O-N 3.05Å; Q180-T184 PolarHBondContact O-OG1 2.94Å; V181-T184 WeakPolarHBondContact CA-OG1 3.15Å; V181-T184 PolarHBondContact O-OG1 3.21Å; T184-Q187 PolarHBondContact O-N 3.24Å; T184-L188 WeakPolarHBondContact O-CG 3.09Å; T184-L188 PolarHBondContact O-N 3.41Å
185	R	67.4	Low	68.5	Low	152 Å²	152	91 Å²	91	57%	0.574	46%	0.456	S	S	*	.	H	α-helix	trans	-62.2	-43.9	173.5	-166.6	-175	94.2	155.5	8.2	111.7	V181 L182 E183 L188 I189	V181-R185 VanDerWaalsContact O-CB 3.31Å; V181-R185 WeakPolarHBondContact O-CB 3.33Å; V181-R185 PolarHBondContact O-N 3.49Å; V181-R185 VanDerWaalsContact O-N 3.08Å; L182-R185 PolarHBondContact O-N 3.4Å; E183-R185 PolarHBondContact O-N 3.03Å; R185-L188 PolarHBondContact O-N 3.29Å; R185-I189 HydrophobicContact CG-CD1 4.08Å; R185-I189 VanDerWaalsContact O-CG1 3.32Å; R185-I189 WeakPolarHBondContact O-CG1 3.25Å; R185-I189 PolarHBondContact O-N 3.48Å
186	N	66.8	Low	67.9	Low	71 Å²	71	89.7 Å²	89.7	38%	0.38	46%	0.456	S	S	.	.	H	α-helix	trans	-66.9	-40.4	-179.7	-69.7	-6.5	0	0	0	111.4	L182 E183 L188 I189 C190	L182-N186 WeakPolarHBondContact O-CB 3.48Å; L182-N186 PolarHBondContact O-N 2.91Å; L182-N186 PolarHBondContact O-OD1 3.47Å; E183-N186 PolarHBondContact O-N 3.13Å; N186-L188 PolarHBondContact O-N 2.9Å; N186-I189 PolarHBondContact O-N 2.89Å; N186-C190 PolarHBondContact O-N 3.19Å; N186-C190 PolarHBondContact O-SG 3.06Å
187	Q	67.7	Low	67	Low	105 Å²	105	87.8 Å²	87.8	49%	0.491	44%	0.444	S	S	.	.	H	α-helix	trans	-58.6	-45.7	172.7	-74.3	171.2	-2.9	0	0	112.3	E183 T184 I189 C190 A191 F237	E183-Q187 WeakPolarHBondContact O-CG 3.37Å; E183-Q187 PolarHBondContact O-N 2.99Å; T184-Q187 PolarHBondContact O-N 3.24Å; Q187-I189 PolarHBondContact O-N 3.11Å; Q187-C190 PolarHBondContact O-N 2.96Å; Q187-A191 WeakPolarHBondContact O-CB 3.23Å; Q187-A191 PolarHBondContact O-N 2.77Å; Q187-F237 HydrophobicContact CG-CD1 3.85Å; Q187-F237 HydrophobicContact CG-CE1 4.06Å
188	L	67.7	Low	65.8	Low	129 Å²	129	87.2 Å²	87.2	68%	0.675	45%	0.454	S	S	*	.	H	α-helix	trans	-63.9	-39.1	177.5	-72.6	170.3	0	0	0	112.5	T184 R185 N186 A192	T184-L188 WeakPolarHBondContact O-CG 3.09Å; T184-L188 PolarHBondContact O-N 3.41Å; R185-L188 PolarHBondContact O-N 3.29Å; N186-L188 PolarHBondContact O-N 2.9Å; L188-A192 WeakPolarHBondContact O-CB 3.45Å; L188-A192 PolarHBondContact O-N 3.37Å
189	I	66.6	Low	65.3	Low	77 Å²	77	86.4 Å²	86.4	40%	0.395	47%	0.471	S	S	.	.	H	α-helix	trans	-63.3	-49.4	174.7	-69.5	164.8	0	0	0	110.1	R185 N186 Q187 A191 A192 L193	R185-I189 HydrophobicContact CG-CD1 4.08Å; R185-I189 VanDerWaalsContact O-CG1 3.32Å; R185-I189 WeakPolarHBondContact O-CG1 3.25Å; R185-I189 PolarHBondContact O-N 3.48Å; N186-I189 PolarHBondContact O-N 2.89Å; Q187-I189 PolarHBondContact O-N 3.11Å; I189-A191 VanDerWaalsContact C-N 3.35Å; I189-A191 PolarHBondContact O-N 3.05Å; I189-A192 PolarHBondContact O-N 2.95Å; I189-A192 VanDerWaalsContact O-N 3.17Å; I189-L193 HydrophobicContact CG2-CD1 3.71Å; I189-L193 HydrophobicContact CG2-CG 4.32Å; I189-L193 VanDerWaalsContact O-CG 3.26Å; I189-L193 WeakPolarHBondContact O-CG 3.23Å; I189-L193 PolarHBondContact O-N 3.05Å
190	C	63.7	Low	64.8	Low	15 Å²	15	86.9 Å²	86.9	10%	0.101	48%	0.476	C	S	.	.	H	α-helix	trans	-61.3	-42.5	179.1	-60.7	0	0	0	0	112	N186 Q187 A192 L193 I194	N186-C190 PolarHBondContact O-N 3.19Å; N186-C190 PolarHBondContact O-SG 3.06Å; Q187-C190 PolarHBondContact O-N 2.96Å; C190-A192 VanDerWaalsContact C-N 3.31Å; C190-A192 PolarHBondContact O-N 3.44Å; C190-L193 PolarHBondContact O-N 3.18Å; C190-I194 WeakPolarHBondContact O-CD1 3.38Å; C190-I194 WeakPolarHBondContact O-CG1 3.31Å; C190-I194 PolarHBondContact O-N 2.93Å
191	A	66.5	Low	64.2	Low	34 Å²	34	85.2 Å²	85.2	28%	0.281	47%	0.47	S	S	.	.	H	α-helix	trans	-66.4	-29.3	177	0	0	0	0	0	113.5	Q187 I189 K195 L239	Q187-A191 WeakPolarHBondContact O-CB 3.23Å; Q187-A191 PolarHBondContact O-N 2.77Å; I189-A191 VanDerWaalsContact C-N 3.35Å; I189-A191 PolarHBondContact O-N 3.05Å; A191-K195 VanDerWaalsContact O-CG 3.31Å; A191-K195 WeakPolarHBondContact O-CG 3.4Å; A191-K195 PolarHBondContact O-N 3.41Å; A191-L239 HydrophobicContact CB-CD2 4.33Å
192	A	62.5	Low	64	Low	55 Å²	55	84.4 Å²	84.4	46%	0.455	46%	0.461	S	S	.	.	H	α-helix	trans	-73.1	-43.7	171.9	0	0	0	0	0	111.4	L188 I189 C190 K195 T196	L188-A192 WeakPolarHBondContact O-CB 3.45Å; L188-A192 PolarHBondContact O-N 3.37Å; I189-A192 PolarHBondContact O-N 2.95Å; I189-A192 VanDerWaalsContact O-N 3.17Å; C190-A192 VanDerWaalsContact C-N 3.31Å; C190-A192 PolarHBondContact O-N 3.44Å; A192-K195 PolarHBondContact O-N 2.8Å; A192-T196 PolarHBondContact O-N 3.01Å; A192-T196 PolarHBondContact O-OG1 2.93Å
193	L	63.9	Low	64.1	Low	46 Å²	46	81.7 Å²	81.7	24%	0.241	45%	0.448	C	S	.	.	H	α-helix	trans	-62.4	-46.5	179.4	-69.1	169.3	0	0	0	112.1	I189 C190 K195 T196 T197 L205 L222	I189-L193 HydrophobicContact CG2-CD1 3.71Å; I189-L193 HydrophobicContact CG2-CG 4.32Å; I189-L193 VanDerWaalsContact O-CG 3.26Å; I189-L193 WeakPolarHBondContact O-CG 3.23Å; I189-L193 PolarHBondContact O-N 3.05Å; C190-L193 PolarHBondContact O-N 3.18Å; L193-K195 PolarHBondContact O-N 3.42Å; L193-T196 WeakPolarHBondContact CA-OG1 3.32Å; L193-T196 PolarHBondContact O-N 3.4Å; L193-T196 PolarHBondContact O-OG1 3.32Å; L193-T197 PolarHBondContact O-N 3.32Å; L193-T197 PolarHBondContact O-OG1 2.86Å; L193-L205 HydrophobicContact CB-CD1 3.95Å; L193-L205 HydrophobicContact CD1-CD1 3.58Å; L193-L205 HydrophobicContact CD2-CD1 3.6Å; L193-L205 HydrophobicContact CG-CD1 3.87Å; L193-L222 HydrophobicContact CB-CD1 3.88Å; L193-L222 HydrophobicContact CD1-CD1 4.41Å
194	I	66	Low	64.1	Low	27 Å²	27	82 Å²	82	14%	0.138	45%	0.451	C	S	.	.	H	α-helix	trans	-64.4	-29.1	178.1	-65.5	160.7	0	0	0	111.8	C190 T196 T197 L222 L239 W245	C190-I194 WeakPolarHBondContact O-CD1 3.38Å; C190-I194 WeakPolarHBondContact O-CG1 3.31Å; C190-I194 PolarHBondContact O-N 2.93Å; I194-T196 VanDerWaalsContact C-N 3.32Å; I194-T197 WeakPolarHBondContact CA-OG1 3.25Å; I194-T197 PolarHBondContact O-OG1 3.16Å; I194-T197 VanDerWaalsContact O-OG1 3.06Å; I194-L222 HydrophobicContact CD1-CD2 4.16Å; I194-L222 HydrophobicContact CG1-CD1 4.4Å; I194-L222 HydrophobicContact CG1-CD2 4.17Å; I194-L239 HydrophobicContact CD1-CD1 4.14Å; I194-L239 HydrophobicContact CD1-CD2 4.03Å; I194-L239 HydrophobicContact CD1-CG 4.38Å; I194-L239 HydrophobicContact CG2-CD1 3.96Å; I194-W245 HydrophobicContact CD1-CB 4.24Å; I194-W245 HydrophobicContact CD1-CD2 3.71Å; I194-W245 HydrophobicContact CD1-CE3 4Å; I194-W245 HydrophobicContact CD1-CG 3.83Å; I194-W245 HydrophobicContact CG1-CD2 4.17Å; I194-W245 HydrophobicContact CG1-CE3 4.08Å; I194-W245 HydrophobicContact CG1-CH2 4.5Å; I194-W245 HydrophobicContact CG1-CZ3 4.25Å; I194-W245 HydrophobicContact CG2-CH2 4.19Å; I194-W245 HydrophobicContact CG2-CZ2 3.8Å
195	K	66.5	Low	64	Low	189 Å²	189	80.9 Å²	80.9	82%	0.822	44%	0.442	S	S	*	.	H	α-helix	trans	-73.8	-19.3	172.3	-77.7	179.6	177.7	-173	0	114.1	A191 A192 L193	A191-K195 VanDerWaalsContact O-CG 3.31Å; A191-K195 WeakPolarHBondContact O-CG 3.4Å; A191-K195 PolarHBondContact O-N 3.41Å; A192-K195 PolarHBondContact O-N 2.8Å; L193-K195 PolarHBondContact O-N 3.42Å
196	T	58.2	Low	63.8	Low	108 Å²	108	76 Å²	76	66%	0.663	43%	0.43	S	S	*	.	H	α-helix	trans	-94.2	-14.4	178.1	51.6	0	0	0	0	113.8	A192 L193 I194	A192-T196 PolarHBondContact O-N 3.01Å; A192-T196 PolarHBondContact O-OG1 2.93Å; L193-T196 WeakPolarHBondContact CA-OG1 3.32Å; L193-T196 PolarHBondContact O-N 3.4Å; L193-T196 PolarHBondContact O-OG1 3.32Å; I194-T196 VanDerWaalsContact C-N 3.32Å
197	T	57.9	Low	63.7	Low	37 Å²	37	75.8 Å²	75.8	23%	0.227	43%	0.431	C	S	.	.	S	Bend	trans	-93.3	117.4	180	48.6	0	0	0	0	110.7	L193 I194 A199 A203	L193-T197 PolarHBondContact O-N 3.32Å; L193-T197 PolarHBondContact O-OG1 2.86Å; I194-T197 WeakPolarHBondContact CA-OG1 3.25Å; I194-T197 PolarHBondContact O-OG1 3.16Å; I194-T197 VanDerWaalsContact O-OG1 3.06Å; T197-A199 PolarHBondContact O-N 3.17Å; T197-A203 HydrophobicContact CG2-CB 3.55Å
198	S	53	Low	63.4	Low	97 Å²	97	77.5 Å²	77.5	68%	0.678	43%	0.433	S	S	*	.			trans	-76.2	112.3	178.8	50.1	0	0	0	0	112.1	E200	S198-E200 VanDerWaalsContact C-N 3.26Å; S198-E200 PolarHBondContact O-N 3.01Å
199	A	57.4	Low	62.7	Low	113 Å²	113	75.6 Å²	75.6	93%	0.934	42%	0.423	S	S	*	.	S	Bend	trans	57.8	10.9	154.4	0	0	0	0	0	119.8	T197	T197-A199 PolarHBondContact O-N 3.17Å
200	E	60.1	Low	61.9	Low	139 Å²	139	77.9 Å²	77.9	65%	0.65	44%	0.443	S	S	*	.			trans	-102	142.9	-179.1	-71.1	171.6	-179.3	0	0	112.7	S198 E202	S198-E200 VanDerWaalsContact C-N 3.26Å; S198-E200 PolarHBondContact O-N 3.01Å; E200-E202 PolarHBondContact O-N 3.24Å
201	D	63.7	Low	61	Low	85 Å²	85	83.2 Å²	83.2	46%	0.455	47%	0.471	S	S	.	.	S	Bend	trans	-69	-17.8	179.6	-90.4	-57.5	0	0	0	113.9	R224	D201-R224 PolarHBondContact O-N 3.15Å; D201-R224 IonicContact OD1-CZ 2.7Å; D201-R224 IonicContact OD1-NE 3.94Å; D201-R224 PolarHBondContact OD1-NE 2.8Å; D201-R224 IonicContact OD1-NH2 2.74Å; D201-R224 PolarHBondContact OD1-NH2 3.44Å; D201-R224 IonicContact OD2-NH2 3.37Å; D201-R224 PolarHBondContact OD2-NH2 2.68Å
202	E	67.8	Low	60.2	Low	75 Å²	75	83 Å²	83	35%	0.35	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	132.3	-178.6	171.6	167.5	-163.2	0	0	108.8	E200 I204 I221 L222 K223	E200-E202 PolarHBondContact O-N 3.24Å; E202-I204 HydrophobicContact CG-CG1 4.21Å; E202-I221 HydrophobicContact CG-CG2 4.37Å; E202-L222 CarbonylContact C-O 3.6Å; E202-L222 WeakPolarHBondContact CA-O 3.39Å; E202-K223 HydrophobicContact CB-CG 4.05Å; E202-K223 VanDerWaalsContact CD-NZ 3.34Å; E202-K223 HydrophobicContact CG-CG 4.03Å; E202-K223 WeakPolarHBondContact OE1-CE 3.41Å; E202-K223 IonicContact OE1-NZ 3.5Å; E202-K223 PolarHBondContact OE1-NZ 3.27Å; E202-K223 VanDerWaalsContact OE1-NZ 3.15Å; E202-K223 WeakPolarHBondContact OE2-CE 3.4Å; E202-K223 IonicContact OE2-NZ 3.14Å; E202-K223 PolarHBondContact OE2-NZ 3.18Å
203	A	66.4	Low	60.1	Low	9 Å²	9	84.1 Å²	84.1	7%	0.074	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	119.4	172.8	0	0	0	0	0	110.5	T197 L222	T197-A203 HydrophobicContact CG2-CB 3.55Å; A203-L222 HydrophobicContact CB-CB 4.25Å; A203-L222 PolarHBondContact N-O 2.79Å; A203-L222 PolarHBondContact O-N 3.2Å
204	I	68.6	Low	59.8	Low	89 Å²	89	89 Å²	89	46%	0.456	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	114.1	-179.9	-55	179.6	0	0	0	109.1	E202 P206 N219 I221	E202-I204 HydrophobicContact CG-CG1 4.21Å; I204-P206 WeakPolarHBondContact O-CD 3.36Å; I204-N219 HydrophobicContact CG2-CB 3.9Å; I204-I221 HydrophobicContact CG1-CG1 4.45Å
205	L	65.5	Low	59.3	Low	47 Å²	47	89.8 Å²	89.8	25%	0.246	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	106.3	-177.9	-68.3	169.2	0	0	0	111.2	L193 V207 V220 L222	L193-L205 HydrophobicContact CB-CD1 3.95Å; L193-L205 HydrophobicContact CD1-CD1 3.58Å; L193-L205 HydrophobicContact CD2-CD1 3.6Å; L193-L205 HydrophobicContact CG-CD1 3.87Å; L205-V207 PolarHBondContact O-N 3.03Å; L205-V207 VanDerWaalsContact O-N 3.17Å; L205-V220 HydrophobicContact CB-CB 4.18Å; L205-V220 PolarHBondContact N-O 3.13Å; L205-V220 PolarHBondContact O-N 3.16Å; L205-L222 HydrophobicContact CD1-CD1 3.5Å; L205-L222 VanDerWaalsContact CD1-CD1 3.5Å; L205-L222 HydrophobicContact CG-CD1 4.47Å
206	P	63.4	Low	58.9	Low	48 Å²	48	83 Å²	83	31%	0.312	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	111.8	175.4	24.5	-33	0	0	0	111.5	I204 R208 P216	I204-P206 WeakPolarHBondContact O-CD 3.36Å; P206-R208 PolarHBondContact O-N 3.28Å; P206-P216 HydrophobicContact CB-CB 3.79Å
207	V	63.9	Low	58.9	Low	68 Å²	68	81 Å²	81	41%	0.412	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	102.6	173.4	-179.3	0	0	0	0	109	L205 V217 A218 V220	L205-V207 PolarHBondContact O-N 3.03Å; L205-V207 VanDerWaalsContact O-N 3.17Å; V207-V217 PolarHBondContact O-N 3.27Å; V207-A218 HydrophobicContact CB-CB 4.49Å; V207-A218 WeakPolarHBondContact CB-O 3.28Å; V207-A218 PolarHBondContact N-O 3.24Å; V207-V220 HydrophobicContact CG2-CB 4.24Å; V207-V220 HydrophobicContact CG2-CG2 3.42Å; V207-V220 VanDerWaalsContact CG2-CG2 3.42Å
208	R	62.2	Low	59.1	Low	140 Å²	140	79.9 Å²	79.9	53%	0.528	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	142.6	172.7	-68	159.6	167.1	111.1	0.3	110.1	P206 P213	P206-R208 PolarHBondContact O-N 3.28Å; R208-P213 WeakPolarHBondContact CD-O 2.97Å; R208-P213 WeakPolarHBondContact CG-O 3.44Å; R208-P213 PolarHBondContact NE-O 3.39Å
209	L	52.8	Low	59.9	Low	90 Å²	90	76.5 Å²	76.5	47%	0.471	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	144	170.8	-77.6	169.1	0	0	0	109.8	N211 A212 V217	L209-N211 PolarHBondContact O-N 3.13Å; L209-A212 HydrophobicContact CB-CB 4.38Å; L209-A212 CarbonylContact O-C 3.46Å; L209-A212 VanDerWaalsContact O-C 3.22Å; L209-A212 PolarHBondContact O-N 3.05Å; L209-V217 HydrophobicContact CD1-CG2 3.82Å; L209-V217 HydrophobicContact CG-CG2 3.84Å
210	P	49.8	Very low	60.4	Low	125 Å²	125	72.3 Å²	72.3	81%	0.812	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-24.6	172.6	-25.5	34.3	0	0	0	113.7
211	N	45.2	Very low	60.9	Low	127 Å²	127	66.2 Å²	66.2	68%	0.679	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-0.6	-178.7	-57.3	-1.6	0	0	0	113.2	L209	L209-N211 PolarHBondContact O-N 3.13Å
212	A	50.2	Low	61.2	Low	30 Å²	30	62.3 Å²	62.3	25%	0.248	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	72.7	-179.5	0	0	0	0	0	110	L209 D214 V215	L209-A212 HydrophobicContact CB-CB 4.38Å; L209-A212 CarbonylContact O-C 3.46Å; L209-A212 VanDerWaalsContact O-C 3.22Å; L209-A212 PolarHBondContact O-N 3.05Å; A212-D214 PolarHBondContact O-N 3.26Å; A212-V215 PolarHBondContact O-N 2.94Å
213	P	59	Low	61.3	Low	78 Å²	78	61.1 Å²	61.1	51%	0.506	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	-25.1	-178.5	27	-35.1	0	0	0	112.9	R208 V215	R208-P213 WeakPolarHBondContact CD-O 2.97Å; R208-P213 WeakPolarHBondContact CG-O 3.44Å; R208-P213 PolarHBondContact NE-O 3.39Å; P213-V215 VanDerWaalsContact C-N 3.26Å; P213-V215 PolarHBondContact O-N 3.43Å
214	D	58.2	Low	61.5	Low	147 Å²	147	65.5 Å²	65.5	79%	0.786	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	-6.2	-176.6	-48.7	-48.7	0	0	0	113.4	A212	A212-D214 PolarHBondContact O-N 3.26Å
215	V	55	Low	61.4	Low	44 Å²	44	64.7 Å²	64.7	27%	0.267	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	118.4	-171.6	-159.8	0	0	0	0	112.9	A212 P213 L259	A212-V215 PolarHBondContact O-N 2.94Å; P213-V215 VanDerWaalsContact C-N 3.26Å; P213-V215 PolarHBondContact O-N 3.43Å; V215-L259 HydrophobicContact CB-CD2 4.27Å; V215-L259 HydrophobicContact CG1-CD1 3.36Å; V215-L259 HydrophobicContact CG1-CD2 3.72Å; V215-L259 HydrophobicContact CG1-CG 4.16Å; V215-L259 HydrophobicContact CG2-CD2 4.19Å
216	P	59.2	Low	61.1	Low	47 Å²	47	66.4 Å²	66.4	31%	0.305	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	135	170.7	30.9	-33.5	0	0	0	110.4	P206 L252	P206-P216 HydrophobicContact CB-CB 3.79Å; P216-L252 HydrophobicContact CB-CD1 4.11Å; P216-L252 HydrophobicContact CG-CD1 4.06Å
217	V	58	Low	60.9	Low	65 Å²	65	70.4 Å²	70.4	39%	0.394	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-25.9	-177.4	179.4	0	0	0	0	112	V207 L209	V207-V217 PolarHBondContact O-N 3.27Å; L209-V217 HydrophobicContact CD1-CG2 3.82Å; L209-V217 HydrophobicContact CG-CG2 3.84Å
218	A	62.6	Low	60.7	Low	14 Å²	14	73.5 Å²	73.5	12%	0.116	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	153	167.5	0	0	0	0	0	109.1	V207 V249 E250	V207-A218 HydrophobicContact CB-CB 4.49Å; V207-A218 WeakPolarHBondContact CB-O 3.28Å; V207-A218 PolarHBondContact N-O 3.24Å; A218-V249 HydrophobicContact CB-CG1 4.02Å; A218-E250 WeakPolarHBondContact CA-O 3.07Å
219	N	68.6	Low	60.9	Low	27 Å²	27	75.4 Å²	75.4	14%	0.144	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.9	165.7	-70.4	-22.7	0	0	0	108.4	I204 I221 E250	I204-N219 HydrophobicContact CG2-CB 3.9Å; N219-I221 HydrophobicContact CB-CG1 4.43Å; N219-E250 HydrophobicContact CB-CB 4.21Å; N219-E250 PolarHBondContact N-O 3.27Å; N219-E250 PolarHBondContact ND2-OE2 3.4Å; N219-E250 VanDerWaalsContact ND2-OE2 3.14Å; N219-E250 PolarHBondContact O-N 3.17Å
220	V	69.2	Low	61.4	Low	25 Å²	25	73.3 Å²	73.3	15%	0.152	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	102.7	167.4	167	0	0	0	0	106.7	L205 V207 V247 V249	L205-V220 HydrophobicContact CB-CB 4.18Å; L205-V220 PolarHBondContact N-O 3.13Å; L205-V220 PolarHBondContact O-N 3.16Å; V207-V220 HydrophobicContact CG2-CB 4.24Å; V207-V220 HydrophobicContact CG2-CG2 3.42Å; V207-V220 VanDerWaalsContact CG2-CG2 3.42Å; V220-V247 HydrophobicContact CG1-CG1 3.91Å; V220-V249 HydrophobicContact CG2-CG2 4.47Å
221	I	69.6	Low	62.3	Low	11 Å²	11	69.3 Å²	69.3	6%	0.056	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	117.5	178.8	-55	174.2	0	0	0	107.4	E202 I204 N219 K223 V247 Q248 E250	E202-I221 HydrophobicContact CG-CG2 4.37Å; I204-I221 HydrophobicContact CG1-CG1 4.45Å; N219-I221 HydrophobicContact CB-CG1 4.43Å; I221-K223 HydrophobicContact CG2-CD 4.12Å; I221-K223 HydrophobicContact CG2-CG 3.99Å; I221-V247 WeakPolarHBondContact O-CA 3.45Å; I221-Q248 HydrophobicContact CB-CB 4.34Å; I221-Q248 PolarHBondContact N-O 2.93Å; I221-Q248 PolarHBondContact O-N 3.46Å; I221-E250 HydrophobicContact CD1-CB 3.92Å
222	L	69.9	Low	63.3	Low	2 Å²	2	73.3 Å²	73.3	1%	0.01	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	117.4	170.1	-77.6	158.2	0	0	0	108.1	L193 I194 E202 A203 L205 W245 V247	L193-L222 HydrophobicContact CB-CD1 3.88Å; L193-L222 HydrophobicContact CD1-CD1 4.41Å; I194-L222 HydrophobicContact CD1-CD2 4.16Å; I194-L222 HydrophobicContact CG1-CD1 4.4Å; I194-L222 HydrophobicContact CG1-CD2 4.17Å; E202-L222 CarbonylContact C-O 3.6Å; E202-L222 WeakPolarHBondContact CA-O 3.39Å; A203-L222 HydrophobicContact CB-CB 4.25Å; A203-L222 PolarHBondContact N-O 2.79Å; A203-L222 PolarHBondContact O-N 3.2Å; L205-L222 HydrophobicContact CD1-CD1 3.5Å; L205-L222 VanDerWaalsContact CD1-CD1 3.5Å; L205-L222 HydrophobicContact CG-CD1 4.47Å; L222-W245 HydrophobicContact CB-CE3 4.15Å; L222-W245 HydrophobicContact CB-CZ3 4.18Å; L222-V247 HydrophobicContact CD2-CG2 3.59Å; L222-V247 HydrophobicContact CG-CG2 4.5Å
223	K	70.8	Confident	64	Low	51 Å²	51	76.9 Å²	76.9	22%	0.222	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	137.5	176.5	-85.4	179	176.3	-174	0	112.2	E202 I221 W245 Y246	E202-K223 HydrophobicContact CB-CG 4.05Å; E202-K223 VanDerWaalsContact CD-NZ 3.34Å; E202-K223 HydrophobicContact CG-CG 4.03Å; E202-K223 WeakPolarHBondContact OE1-CE 3.41Å; E202-K223 IonicContact OE1-NZ 3.5Å; E202-K223 PolarHBondContact OE1-NZ 3.27Å; E202-K223 VanDerWaalsContact OE1-NZ 3.15Å; E202-K223 WeakPolarHBondContact OE2-CE 3.4Å; E202-K223 IonicContact OE2-NZ 3.14Å; E202-K223 PolarHBondContact OE2-NZ 3.18Å; I221-K223 HydrophobicContact CG2-CD 4.12Å; I221-K223 HydrophobicContact CG2-CG 3.99Å; K223-W245 CarbonylContact O-C 3.54Å; K223-W245 VanDerWaalsContact O-CA 3.27Å; K223-W245 WeakPolarHBondContact O-CA 3.29Å; K223-Y246 HydrophobicContact CB-CD1 3.94Å; K223-Y246 HydrophobicContact CB-CD2 4.32Å; K223-Y246 HydrophobicContact CB-CE1 3.5Å; K223-Y246 VanDerWaalsContact CB-CE1 3.5Å; K223-Y246 HydrophobicContact CB-CE2 3.9Å; K223-Y246 HydrophobicContact CB-CG 4.36Å; K223-Y246 VanDerWaalsContact CB-CZ 3.5Å; K223-Y246 HydrophobicContact CD-CE1 4.35Å; K223-Y246 HydrophobicContact CD-CE2 4.05Å; K223-Y246 WeakPolarHBondContact CD-OH 3.38Å; K223-Y246 HydrophobicContact CG-CE2 4.45Å; K223-Y246 PolarHBondContact N-O 3.36Å; K223-Y246 PolarHBondContact O-N 3.41Å
224	R	69.6	Low	64.3	Low	100 Å²	100	74 Å²	74	38%	0.377	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	135.9	171.5	-169.6	168.8	66.6	151.5	-2.4	109.8	D201 T226 W245	D201-R224 PolarHBondContact O-N 3.15Å; D201-R224 IonicContact OD1-CZ 2.7Å; D201-R224 IonicContact OD1-NE 3.94Å; D201-R224 PolarHBondContact OD1-NE 2.8Å; D201-R224 IonicContact OD1-NH2 2.74Å; D201-R224 PolarHBondContact OD1-NH2 3.44Å; D201-R224 IonicContact OD2-NH2 3.37Å; D201-R224 PolarHBondContact OD2-NH2 2.68Å; R224-T226 HydrophobicContact CB-CG2 4.39Å; R224-T226 HydrophobicContact CG-CG2 4.22Å; R224-T226 PolarHBondContact O-N 3.18Å; R224-T226 VanDerWaalsContact O-N 3.07Å; R224-W245 HydrophobicContact CB-CD2 4.36Å; R224-W245 HydrophobicContact CB-CH2 4.33Å; R224-W245 HydrophobicContact CB-CZ2 4.17Å; R224-W245 HydrophobicContact CB-CZ3 4.49Å; R224-W245 HydrophobicContact CG-CZ2 4.41Å
225	F	67.1	Low	64.7	Low	72 Å²	72	70.7 Å²	70.7	32%	0.316	38%	0.375	S	S	.	.			trans	-81.7	85.9	-175.8	-162.6	-92.6	0	0	0	110.7	E228 P230 Q244 Y246	F225-E228 WeakPolarHBondContact CE2-O 3.15Å; F225-P230 HydrophobicContact CE2-CB 4.24Å; F225-P230 HydrophobicContact CE2-CG 4Å; F225-Q244 HydrophobicContact CB-CB 3.65Å; F225-Q244 WeakPolarHBondContact CB-O 3.47Å; F225-Q244 HydrophobicContact CD1-CB 4.37Å; F225-Q244 HydrophobicContact CG-CB 4.08Å; F225-Q244 PolarHBondContact N-O 3.12Å; F225-Y246 HydrophobicContact CD2-CD1 4.25Å
226	T	58.2	Low	65.5	Low	84 Å²	84	71.6 Å²	71.6	52%	0.515	38%	0.381	S	S	.	.	S	Bend	trans	-96.7	-32.6	-171.3	48.1	0	0	0	0	114.9	R224	R224-T226 HydrophobicContact CB-CG2 4.39Å; R224-T226 HydrophobicContact CG-CG2 4.22Å; R224-T226 PolarHBondContact O-N 3.18Å; R224-T226 VanDerWaalsContact O-N 3.07Å
227	T	59.1	Low	65.9	Low	132 Å²	132	71.1 Å²	71.1	81%	0.81	37%	0.374	S	S	*	.	S	Bend	trans	-168.4	-21	169.1	11	0	0	0	0	114.3
228	E	61.2	Low	66.3	Low	133 Å²	133	77 Å²	77	62%	0.621	39%	0.389	S	S	*	.	S	Bend	trans	-79.6	145.5	-174.4	-60	-176.7	153.2	0	0	112.7	F225	F225-E228 WeakPolarHBondContact CE2-O 3.15Å
229	Q	66.3	Low	66.4	Low	179 Å²	179	78 Å²	78	84%	0.836	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-67.1	142.1	172.8	-77.6	-177.8	-27.8	0	0	110.5
230	P	63.5	Low	66.1	Low	47 Å²	47	81.2 Å²	81.2	31%	0.305	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-74.7	144.3	179.4	32.2	-27.2	0	0	0	109.4	F225 A234 V236 Y246	F225-P230 HydrophobicContact CE2-CB 4.24Å; F225-P230 HydrophobicContact CE2-CG 4Å; P230-A234 HydrophobicContact CB-CB 4.44Å; P230-V236 HydrophobicContact CB-CG2 3.9Å; P230-V236 HydrophobicContact CG-CG2 3.92Å; P230-Y246 HydrophobicContact CB-CG 4.41Å
231	P	68.1	Low	65.9	Low	40 Å²	40	83.6 Å²	83.6	26%	0.26	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-54	149.4	172	-26.2	33.8	0	0	0	112.7	D233 A234 Y246	P231-D233 WeakPolarHBondContact CB-OD1 3.46Å; P231-D233 PolarHBondContact O-N 2.06Å; P231-D233 VanDerWaalsContact O-N 3.13Å; P231-A234 HydrophobicContact CB-CB 4.02Å; P231-A234 HydrophobicContact CG-CB 4.19Å; P231-A234 WeakPolarHBondContact O-CB 3.3Å; P231-A234 PolarHBondContact O-N 3.09Å; P231-Y246 HydrophobicContact CG-CE2 4.38Å
232	E	66.6	Low	65.9	Low	211 Å²	211	85.6 Å²	85.6	99%	0.986	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-24.3	179.7	-64.9	-170.5	161.7	0	0	113.2
233	D	64.2	Low	65.8	Low	105 Å²	105	89.3 Å²	89.3	56%	0.561	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-3	176.8	64.4	-48.1	0	0	0	114.1	P231	P231-D233 WeakPolarHBondContact CB-OD1 3.46Å; P231-D233 PolarHBondContact O-N 2.06Å; P231-D233 VanDerWaalsContact O-N 3.13Å
234	A	65.5	Low	65.9	Low	18 Å²	18	90.6 Å²	90.6	15%	0.149	50%	0.497	C	S	.	.			trans	-85.9	141.5	-177.9	0	0	0	0	0	113	P230 P231 Y246 V247	P230-A234 HydrophobicContact CB-CB 4.44Å; P231-A234 HydrophobicContact CB-CB 4.02Å; P231-A234 HydrophobicContact CG-CB 4.19Å; P231-A234 WeakPolarHBondContact O-CB 3.3Å; P231-A234 PolarHBondContact O-N 3.09Å; A234-Y246 HydrophobicContact CB-CD2 3.91Å; A234-Y246 HydrophobicContact CB-CG 4.49Å; A234-V247 CarbonylContact C-O 3.58Å; A234-V247 WeakPolarHBondContact CA-O 3.24Å
235	T	67	Low	66.1	Low	77 Å²	77	86.6 Å²	86.6	47%	0.472	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	115	176.7	-41.7	0	0	0	0	110.2	F237 Y246 V247	T235-F237 HydrophobicContact CG2-CE1 4.03Å; T235-F237 HydrophobicContact CG2-CE2 3.62Å; T235-F237 HydrophobicContact CG2-CZ 3.33Å; T235-F237 WeakPolarHBondContact O-CD2 3.18Å; T235-F237 WeakPolarHBondContact O-CE2 3.3Å; T235-Y246 WeakPolarHBondContact O-CA 3.46Å; T235-V247 PolarHBondContact N-O 3.06Å; T235-V247 PolarHBondContact O-N 2.88Å
236	V	71.5	Confident	66.4	Low	63 Å²	63	83.8 Å²	83.8	38%	0.382	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	133.2	-178.3	-175.5	0	0	0	0	111.1	P230	P230-V236 HydrophobicContact CB-CG2 3.9Å; P230-V236 HydrophobicContact CG-CG2 3.92Å
237	F	67.2	Low	66.9	Low	38 Å²	38	80.5 Å²	80.5	17%	0.167	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	150.2	177.2	-58.3	-80.6	0	0	0	111	Q187 T235 Q244 W245 V247	Q187-F237 HydrophobicContact CG-CD1 3.85Å; Q187-F237 HydrophobicContact CG-CE1 4.06Å; T235-F237 HydrophobicContact CG2-CE1 4.03Å; T235-F237 HydrophobicContact CG2-CE2 3.62Å; T235-F237 HydrophobicContact CG2-CZ 3.33Å; T235-F237 WeakPolarHBondContact O-CD2 3.18Å; T235-F237 WeakPolarHBondContact O-CE2 3.3Å; F237-Q244 WeakPolarHBondContact O-CA 3.46Å; F237-W245 PolarHBondContact N-O 2.91Å; F237-W245 PolarHBondContact O-N 2.78Å; F237-V247 HydrophobicContact CD2-CG2 3.82Å; F237-V247 HydrophobicContact CE2-CB 4.04Å; F237-V247 HydrophobicContact CE2-CG2 3.63Å
238	R	67.6	Low	67.5	Low	188 Å²	188	76.5 Å²	76.5	71%	0.709	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.3	126.3	173.1	-175.2	-177.8	-68.4	163.5	-1.1	108.9	E243	R238-E243 WeakPolarHBondContact CA-O 3.28Å
239	L	64.4	Low	67.7	Low	34 Å²	34	73.8 Å²	73.8	18%	0.178	41%	0.413	C	S	.	.			trans	-78.6	162	175.2	-70.2	174.9	0	0	0	111.6	A191 I194 S241 G242 E243 W245	A191-L239 HydrophobicContact CB-CD2 4.33Å; I194-L239 HydrophobicContact CD1-CD1 4.14Å; I194-L239 HydrophobicContact CD1-CD2 4.03Å; I194-L239 HydrophobicContact CD1-CG 4.38Å; I194-L239 HydrophobicContact CG2-CD1 3.96Å; L239-S241 VanDerWaalsContact CB-OG 3.22Å; L239-S241 WeakPolarHBondContact CB-OG 3.26Å; L239-S241 PolarHBondContact O-N 3.34Å; L239-G242 PolarHBondContact O-N 2.84Å; L239-E243 HydrophobicContact CD1-CB 4.35Å; L239-E243 PolarHBondContact N-O 3.46Å; L239-W245 HydrophobicContact CD1-CG 4.49Å
240	G	61.2	Low	67.7	Low	95 Å²	95	69.6 Å²	69.6	98%	0.979	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-14.5	169.7	0	0	0	0	0	114.2	G242	G240-G242 VanDerWaalsContact C-N 3.26Å
241	S	65.4	Low	67.5	Low	76 Å²	76	74.6 Å²	74.6	53%	0.531	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-7.9	170	50.7	0	0	0	0	113.8	L239 E243	L239-S241 VanDerWaalsContact CB-OG 3.22Å; L239-S241 WeakPolarHBondContact CB-OG 3.26Å; L239-S241 PolarHBondContact O-N 3.34Å; S241-E243 VanDerWaalsContact C-N 3.28Å; S241-E243 WeakPolarHBondContact CB-OE2 3.47Å; S241-E243 PolarHBondContact OG-OE2 3.02Å
242	G	68.8	Low	67	Low	53 Å²	53	76.5 Å²	76.5	55%	0.546	42%	0.419	S	S	.	.	S	Bend	trans	88	-13	-173.2	0	0	0	0	0	114.2	L239 G240	L239-G242 PolarHBondContact O-N 2.84Å; G240-G242 VanDerWaalsContact C-N 3.26Å
243	E	68.8	Low	65.7	Low	79 Å²	79	71.2 Å²	71.2	37%	0.369	40%	0.401	S	S	.	.			trans	-68.6	140.5	-179.6	-61.7	166.3	123.1	0	0	111.8	R238 L239 S241	R238-E243 WeakPolarHBondContact CA-O 3.28Å; L239-E243 HydrophobicContact CD1-CB 4.35Å; L239-E243 PolarHBondContact N-O 3.46Å; S241-E243 VanDerWaalsContact C-N 3.28Å; S241-E243 WeakPolarHBondContact CB-OE2 3.47Å; S241-E243 PolarHBondContact OG-OE2 3.02Å
244	Q	72.1	Confident	64.6	Low	78 Å²	78	69.6 Å²	69.6	36%	0.364	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	137	172.5	-67.6	-175.6	-79.5	0	0	109.9	F225 F237	F225-Q244 HydrophobicContact CB-CB 3.65Å; F225-Q244 WeakPolarHBondContact CB-O 3.47Å; F225-Q244 HydrophobicContact CD1-CB 4.37Å; F225-Q244 HydrophobicContact CG-CB 4.08Å; F225-Q244 PolarHBondContact N-O 3.12Å; F237-Q244 WeakPolarHBondContact O-CA 3.46Å
245	W	73.5	Confident	63.3	Low	17 Å²	17	75.3 Å²	75.3	6%	0.064	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	148.2	177.8	-73.7	71.2	0	0	0	108.6	I194 L222 K223 R224 F237 L239	I194-W245 HydrophobicContact CD1-CB 4.24Å; I194-W245 HydrophobicContact CD1-CD2 3.71Å; I194-W245 HydrophobicContact CD1-CE3 4Å; I194-W245 HydrophobicContact CD1-CG 3.83Å; I194-W245 HydrophobicContact CG1-CD2 4.17Å; I194-W245 HydrophobicContact CG1-CE3 4.08Å; I194-W245 HydrophobicContact CG1-CH2 4.5Å; I194-W245 HydrophobicContact CG1-CZ3 4.25Å; I194-W245 HydrophobicContact CG2-CH2 4.19Å; I194-W245 HydrophobicContact CG2-CZ2 3.8Å; L222-W245 HydrophobicContact CB-CE3 4.15Å; L222-W245 HydrophobicContact CB-CZ3 4.18Å; K223-W245 CarbonylContact O-C 3.54Å; K223-W245 VanDerWaalsContact O-CA 3.27Å; K223-W245 WeakPolarHBondContact O-CA 3.29Å; R224-W245 HydrophobicContact CB-CD2 4.36Å; R224-W245 HydrophobicContact CB-CH2 4.33Å; R224-W245 HydrophobicContact CB-CZ2 4.17Å; R224-W245 HydrophobicContact CB-CZ3 4.49Å; R224-W245 HydrophobicContact CG-CZ2 4.41Å; F237-W245 PolarHBondContact N-O 2.91Å; F237-W245 PolarHBondContact O-N 2.78Å; L239-W245 HydrophobicContact CD1-CG 4.49Å
246	Y	73.1	Confident	61.6	Low	13 Å²	13	78.6 Å²	78.6	5%	0.051	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	145.8	168.9	69.4	-93.9	0	0	0	111.5	K223 F225 P230 P231 A234 T235	K223-Y246 HydrophobicContact CB-CD1 3.94Å; K223-Y246 HydrophobicContact CB-CD2 4.32Å; K223-Y246 HydrophobicContact CB-CE1 3.5Å; K223-Y246 VanDerWaalsContact CB-CE1 3.5Å; K223-Y246 HydrophobicContact CB-CE2 3.9Å; K223-Y246 HydrophobicContact CB-CG 4.36Å; K223-Y246 VanDerWaalsContact CB-CZ 3.5Å; K223-Y246 HydrophobicContact CD-CE1 4.35Å; K223-Y246 HydrophobicContact CD-CE2 4.05Å; K223-Y246 WeakPolarHBondContact CD-OH 3.38Å; K223-Y246 HydrophobicContact CG-CE2 4.45Å; K223-Y246 PolarHBondContact N-O 3.36Å; K223-Y246 PolarHBondContact O-N 3.41Å; F225-Y246 HydrophobicContact CD2-CD1 4.25Å; P230-Y246 HydrophobicContact CB-CG 4.41Å; P231-Y246 HydrophobicContact CG-CE2 4.38Å; A234-Y246 HydrophobicContact CB-CD2 3.91Å; A234-Y246 HydrophobicContact CB-CG 4.49Å; T235-Y246 WeakPolarHBondContact O-CA 3.46Å
247	V	69.5	Low	59.6	Low	14 Å²	14	83.6 Å²	83.6	9%	0.085	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	119.4	174.2	177.1	0	0	0	0	108.5	V220 I221 L222 A234 T235 F237	V220-V247 HydrophobicContact CG1-CG1 3.91Å; I221-V247 WeakPolarHBondContact O-CA 3.45Å; L222-V247 HydrophobicContact CD2-CG2 3.59Å; L222-V247 HydrophobicContact CG-CG2 4.5Å; A234-V247 CarbonylContact C-O 3.58Å; A234-V247 WeakPolarHBondContact CA-O 3.24Å; T235-V247 PolarHBondContact N-O 3.06Å; T235-V247 PolarHBondContact O-N 2.88Å; F237-V247 HydrophobicContact CD2-CG2 3.82Å; F237-V247 HydrophobicContact CE2-CB 4.04Å; F237-V247 HydrophobicContact CE2-CG2 3.63Å
248	Q	71.2	Confident	58	Low	48 Å²	48	88.4 Å²	88.4	22%	0.224	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	134.6	169.9	-169.4	174.8	14.2	0	0	109.3	I221	I221-Q248 HydrophobicContact CB-CB 4.34Å; I221-Q248 PolarHBondContact N-O 2.93Å; I221-Q248 PolarHBondContact O-N 3.46Å
249	V	66.9	Low	56.1	Low	76 Å²	76	83.4 Å²	83.4	46%	0.461	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	87.7	177	-175.8	0	0	0	0	108.3	A218 V220 K251	A218-V249 HydrophobicContact CB-CG1 4.02Å; V220-V249 HydrophobicContact CG2-CG2 4.47Å; V249-K251 PolarHBondContact O-N 3.29Å; V249-K251 VanDerWaalsContact O-N 3.13Å
250	E	65.1	Low	54.5	Low	92 Å²	92	88.3 Å²	88.3	43%	0.43	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	105.9	174.3	-176.2	-173.7	-127.4	0	0	108.6	A218 N219 I221	A218-E250 WeakPolarHBondContact CA-O 3.07Å; N219-E250 HydrophobicContact CB-CB 4.21Å; N219-E250 PolarHBondContact N-O 3.27Å; N219-E250 PolarHBondContact ND2-OE2 3.4Å; N219-E250 VanDerWaalsContact ND2-OE2 3.14Å; N219-E250 PolarHBondContact O-N 3.17Å; I221-E250 HydrophobicContact CD1-CB 3.92Å
251	K	59.5	Low	53.3	Low	151 Å²	151	86.8 Å²	86.8	66%	0.657	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	134.8	167.7	-65.2	174.4	-175.2	167.5	0	107.7	V249 T253	V249-K251 PolarHBondContact O-N 3.29Å; V249-K251 VanDerWaalsContact O-N 3.13Å; K251-T253 HydrophobicContact CB-CG2 4.04Å; K251-T253 PolarHBondContact O-N 3.08Å; K251-T253 PolarHBondContact O-OG1 3.25Å
252	L	57.2	Low	52	Low	81 Å²	81	86.4 Å²	86.4	42%	0.424	47%	0.472	S	S	.	.			trans	-75.1	62.7	175.6	-67.1	168.5	0	0	0	111.2	P216 G254	P216-L252 HydrophobicContact CB-CD1 4.11Å; P216-L252 HydrophobicContact CG-CD1 4.06Å; L252-G254 PolarHBondContact O-N 3.46Å
253	T	40.2	Very low	51.2	Low	100 Å²	100	85.1 Å²	85.1	61%	0.613	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	88.7	176.1	47.6	0	0	0	0	109.6	K251	K251-T253 HydrophobicContact CB-CG2 4.04Å; K251-T253 PolarHBondContact O-N 3.08Å; K251-T253 PolarHBondContact O-OG1 3.25Å
254	G	41.6	Very low	50.6	Low	70 Å²	70	85.1 Å²	85.1	72%	0.722	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	179.2	-22.3	-176.2	0	0	0	0	0	112.8	L252	L252-G254 PolarHBondContact O-N 3.46Å
255	Q	37	Very low	50.3	Low	138 Å²	138	89.3 Å²	89.3	65%	0.645	47%	0.471	S	S	*	.			trans	-110.8	49.2	163	-68.9	-171.7	-9.2	0	0	111.4	N257	Q255-N257 PolarHBondContact O-N 3.41Å
256	E	31.6	Very low	49.6	Very low	147 Å²	147	91 Å²	91	69%	0.687	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	74.5	174.9	-63.4	-168.7	153.4	0	0	111.3
257	N	30.5	Very low	49	Very low	167 Å²	167	96.5 Å²	96.5	89%	0.893	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	178.3	-2	151.4	-97.4	-49.3	0	0	0	115.8	Q255	Q255-N257 PolarHBondContact O-N 3.41Å
258	L	32.7	Very low	49.1	Very low	139 Å²	139	98 Å²	98	73%	0.728	53%	0.532	S	S	*	.	S	Bend	trans	-97.7	-11.1	-168.1	-95.4	159.1	0	0	0	117.3
259	L	28.7	Very low	49.3	Very low	84 Å²	84	98.6 Å²	98.6	44%	0.44	54%	0.536	S	S	.	.	S	Bend	trans	-136.4	69.6	-164.3	-61.2	168.4	0	0	0	114.2	V215	V215-L259 HydrophobicContact CB-CD2 4.27Å; V215-L259 HydrophobicContact CG1-CD1 3.36Å; V215-L259 HydrophobicContact CG1-CD2 3.72Å; V215-L259 HydrophobicContact CG1-CG 4.16Å; V215-L259 HydrophobicContact CG2-CD2 4.19Å
260	L	30.4	Very low	50	Low	136 Å²	136	97.8 Å²	97.8	71%	0.712	53%	0.525	S	S	*	.			trans	-165.5	57	165.6	-113.7	179.1	0	0	0	113.6
261	L	34.7	Very low	50.6	Low	63 Å²	63	94.4 Å²	94.4	33%	0.33	51%	0.511	S	S	.	.			trans	-150.9	110.2	150.8	-63.5	97.2	0	0	0	107.9	N263 D273 Q289	L261-N263 PolarHBondContact O-N 3.2Å; L261-D273 WeakPolarHBondContact CD2-OD1 3.45Å; L261-D273 WeakPolarHBondContact CD2-OD2 3.49Å; L261-Q289 HydrophobicContact CD2-CG 4.2Å; L261-Q289 VanDerWaalsContact CD2-NE2 3.27Å
262	S	39.2	Very low	51.5	Low	68 Å²	68	87.6 Å²	87.6	48%	0.476	48%	0.482	S	S	.	.			trans	-79.3	75.4	177.1	59.7	0	0	0	0	110.2	T264	S262-T264 PolarHBondContact O-N 3.09Å
263	N	51.8	Low	52.1	Low	27 Å²	27	87.2 Å²	87.2	14%	0.144	48%	0.48	C	S	.	.			trans	-67.1	100.7	177	-69.1	-15.5	0	0	0	109.2	L261 W270 L285 Q289	L261-N263 PolarHBondContact O-N 3.2Å; N263-W270 HydrophobicContact CB-CE3 4.17Å; N263-W270 HydrophobicContact CB-CZ3 4.34Å; N263-L285 HydrophobicContact CB-CD2 3.63Å; N263-L285 VanDerWaalsContact CG-CD2 3.41Å; N263-L285 WeakPolarHBondContact ND2-CD2 3.45Å; N263-Q289 PolarHBondContact ND2-OE1 3.12Å; N263-Q289 PolarHBondContact OD1-NE2 3.11Å
264	T	56.6	Low	53.2	Low	78 Å²	78	86.9 Å²	86.9	48%	0.479	47%	0.468	S	S	.	.			trans	-75.6	142.3	-178.8	45.3	0	0	0	0	111	S262 V271	S262-T264 PolarHBondContact O-N 3.09Å; T264-V271 WeakPolarHBondContact O-CB 3.24Å; T264-V271 WeakPolarHBondContact O-CG2 3.5Å; T264-V271 PolarHBondContact O-N 3.5Å
265	R	65.9	Low	54.6	Low	166 Å²	166	85.4 Å²	85.4	63%	0.626	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	116.5	172.1	-140.7	173.6	169.3	-173.8	-3.9	108.2	G268 L269 W270	R265-G268 PolarHBondContact NE-O 3.24Å; R265-L269 CarbonylContact C-O 3.27Å; R265-L269 VanDerWaalsContact CA-O 3.31Å; R265-L269 WeakPolarHBondContact CA-O 3.22Å; R265-W270 HydrophobicContact CG-CD2 4.49Å
266	V	58.4	Low	56.3	Low	53 Å²	53	83.8 Å²	83.8	32%	0.321	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	122.2	-177.7	-173.7	0	0	0	0	107.7	G268 L269 V271	V266-G268 VanDerWaalsContact C-N 3.27Å; V266-G268 PolarHBondContact O-N 2.82Å; V266-L269 PolarHBondContact N-O 2.88Å; V266-L269 PolarHBondContact O-N 3.49Å; V266-L269 VanDerWaalsContact O-N 3.13Å; V266-V271 HydrophobicContact CB-CG2 3.84Å; V266-V271 HydrophobicContact CG2-CG2 3.71Å
267	D	60.6	Low	58.4	Low	129 Å²	129	84.2 Å²	84.2	69%	0.69	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	40.1	-175.3	-44.1	-44.2	0	0	0	112.8	L269 R278	D267-L269 PolarHBondContact O-N 3.46Å; D267-L269 VanDerWaalsContact O-N 3.1Å; D267-R278 IonicContact OD2-CZ 3.48Å; D267-R278 IonicContact OD2-NH1 2.71Å; D267-R278 PolarHBondContact OD2-NH1 3.37Å; D267-R278 IonicContact OD2-NH2 2.68Å; D267-R278 PolarHBondContact OD2-NH2 3.12Å
268	G	72.1	Confident	60.8	Low	46 Å²	46	82.1 Å²	82.1	47%	0.474	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	-16.9	-177.4	0	0	0	0	0	115.5	R265 V266	R265-G268 PolarHBondContact NE-O 3.24Å; V266-G268 VanDerWaalsContact C-N 3.27Å; V266-G268 PolarHBondContact O-N 2.82Å
269	L	75.9	Confident	63.3	Low	60 Å²	60	76.7 Å²	76.7	31%	0.314	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	146.7	180	-63.3	165.7	0	0	0	112	R265 V266 D267 R278	R265-L269 CarbonylContact C-O 3.27Å; R265-L269 VanDerWaalsContact CA-O 3.31Å; R265-L269 WeakPolarHBondContact CA-O 3.22Å; V266-L269 PolarHBondContact N-O 2.88Å; V266-L269 PolarHBondContact O-N 3.49Å; V266-L269 VanDerWaalsContact O-N 3.13Å; D267-L269 PolarHBondContact O-N 3.46Å; D267-L269 VanDerWaalsContact O-N 3.1Å; L269-R278 HydrophobicContact CB-CB 4.12Å; L269-R278 HydrophobicContact CD1-CB 4.11Å
270	W	79.7	Confident	65.5	Low	58 Å²	58	76.6 Å²	76.6	22%	0.22	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	124.6	175.7	-70.4	94.6	0	0	0	110.8	N263 R265 R278 F279 S281 F282 L285	N263-W270 HydrophobicContact CB-CE3 4.17Å; N263-W270 HydrophobicContact CB-CZ3 4.34Å; R265-W270 HydrophobicContact CG-CD2 4.49Å; W270-R278 CarbonylContact O-C 3.58Å; W270-R278 WeakPolarHBondContact O-CA 3.5Å; W270-F279 HydrophobicContact CB-CB 4.34Å; W270-F279 PolarHBondContact N-O 3.3Å; W270-F279 PolarHBondContact O-N 3.19Å; W270-S281 VanDerWaalsContact CD1-C 3.42Å; W270-F282 HydrophobicContact CD2-CB 4.29Å; W270-F282 HydrophobicContact CD2-CD2 4.11Å; W270-F282 AromaticContact CE3-CD2 3.85Å; W270-F282 HydrophobicContact CE3-CD2 3.85Å; W270-F282 HydrophobicContact CH2-CB 4.5Å; W270-F282 AromaticContact CH2-CD2 3.68Å; W270-F282 HydrophobicContact CH2-CD2 3.68Å; W270-F282 HydrophobicContact CH2-CE2 4.34Å; W270-F282 HydrophobicContact CH2-CG 4.43Å; W270-F282 HydrophobicContact CZ2-CB 3.92Å; W270-F282 AromaticContact CZ2-CD2 3.96Å; W270-F282 HydrophobicContact CZ2-CD2 3.96Å; W270-F282 HydrophobicContact CZ2-CG 4.32Å; W270-F282 AromaticContact CZ3-CD2 3.63Å; W270-F282 HydrophobicContact CZ3-CD2 3.63Å; W270-F282 HydrophobicContact CZ3-CE2 4.13Å; W270-L285 HydrophobicContact CB-CB 4.23Å; W270-L285 HydrophobicContact CB-CD2 3.8Å; W270-L285 HydrophobicContact CE3-CD2 4.35Å
271	V	78.3	Confident	67.9	Low	22 Å²	22	71.9 Å²	71.9	13%	0.133	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	135.8	-178.8	-168	0	0	0	0	110.4	T264 V266 R278 L285	T264-V271 WeakPolarHBondContact O-CB 3.24Å; T264-V271 WeakPolarHBondContact O-CG2 3.5Å; T264-V271 PolarHBondContact O-N 3.5Å; V266-V271 HydrophobicContact CB-CG2 3.84Å; V266-V271 HydrophobicContact CG2-CG2 3.71Å; V271-R278 HydrophobicContact CG2-CG 4.24Å; V271-L285 WeakPolarHBondContact O-CD2 3.45Å
272	C	79.6	Confident	69.9	Low	7 Å²	7	73.1 Å²	73.1	5%	0.047	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-74.5	134.5	171.5	-177.1	0	0	0	0	111.1	R274 C275 R277 F279 L285 H288	C272-R274 VanDerWaalsContact C-N 3.33Å; C272-R274 PolarHBondContact SG-N 3.3Å; C272-R274 VanDerWaalsContact SG-N 3.39Å; C272-C275 CarbonylContact C-O 3.53Å; C272-C275 WeakPolarHBondContact CB-O 3.39Å; C272-R277 PolarHBondContact N-O 2.75Å; C272-F279 HydrophobicContact CB-CE2 4.09Å; C272-L285 HydrophobicContact CB-CD1 3.52Å; C272-H288 VanDerWaalsContact SG-CD2 3.58Å; C272-H288 PolarHBondContact SG-NE2 3.08Å
273	D	67.9	Low	71.9	Confident	73 Å²	73	75.1 Å²	75.1	39%	0.39	40%	0.395	S	S	.	.	S	Bend	trans	-71.2	-26.5	175.3	64.6	-28.2	0	0	0	113.1	L261 Q289	L261-D273 WeakPolarHBondContact CD2-OD1 3.45Å; L261-D273 WeakPolarHBondContact CD2-OD2 3.49Å; D273-Q289 PolarHBondContact OD1-NE2 3.28Å; D273-Q289 VanDerWaalsContact OD1-NE2 3.09Å
274	R	64.8	Low	73.2	Confident	93 Å²	93	78 Å²	78	35%	0.351	41%	0.408	S	S	.	.	S	Bend	trans	-96.7	-13.9	-178.9	-64.8	176.6	-165.6	-158.4	12.2	114.6	C272 H293	C272-R274 VanDerWaalsContact C-N 3.33Å; C272-R274 PolarHBondContact SG-N 3.3Å; C272-R274 VanDerWaalsContact SG-N 3.39Å; R274-H293 WeakPolarHBondContact CB-NE2 3.47Å
275	C	71.3	Confident	74.4	Confident	40 Å²	40	74.3 Å²	74.3	27%	0.27	39%	0.385	S	S	.	.	S	Bend	trans	-154.7	155	171.3	84.9	0	0	0	0	112.6	C272 R277 H288	C272-C275 CarbonylContact C-O 3.53Å; C272-C275 WeakPolarHBondContact CB-O 3.39Å; C275-R277 PolarHBondContact O-N 2.7Å; C275-H288 VanDerWaalsContact SG-CE1 3.5Å; C275-H288 PolarHBondContact SG-NE2 2.97Å
276	A	71.7	Confident	74.9	Confident	104 Å²	104	71.3 Å²	71.3	86%	0.86	38%	0.376	S	S	*	.	S	Bend	trans	-71.5	27.3	-175.5	0	0	0	0	0	115.7
277	R	74.7	Confident	75.9	Confident	155 Å²	155	72.9 Å²	72.9	59%	0.585	38%	0.382	S	S	*	.			trans	-85.3	139	175.8	-72.3	-175.3	173.5	-153.7	-2.7	111.1	C272 C275 F279	C272-R277 PolarHBondContact N-O 2.75Å; C275-R277 PolarHBondContact O-N 2.7Å; R277-F279 HydrophobicContact CB-CE1 4.49Å; R277-F279 HydrophobicContact CB-CE2 3.55Å; R277-F279 HydrophobicContact CB-CZ 3.51Å; R277-F279 HydrophobicContact CG-CZ 4.41Å
278	R	82.7	Confident	76.7	Confident	123 Å²	123	67.3 Å²	67.3	46%	0.464	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	144.3	173	-56	-168.8	174.7	-162.5	-1.1	109.5	D267 L269 W270 V271	D267-R278 IonicContact OD2-CZ 3.48Å; D267-R278 IonicContact OD2-NH1 2.71Å; D267-R278 PolarHBondContact OD2-NH1 3.37Å; D267-R278 IonicContact OD2-NH2 2.68Å; D267-R278 PolarHBondContact OD2-NH2 3.12Å; L269-R278 HydrophobicContact CB-CB 4.12Å; L269-R278 HydrophobicContact CD1-CB 4.11Å; W270-R278 CarbonylContact O-C 3.58Å; W270-R278 WeakPolarHBondContact O-CA 3.5Å; V271-R278 HydrophobicContact CG2-CG 4.24Å
279	F	83.9	Confident	76.9	Confident	26 Å²	26	66.2 Å²	66.2	11%	0.114	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	147.5	-175.2	-59.9	-82.6	0	0	0	110.6	W270 C272 R277 Q284 L285 H288	W270-F279 HydrophobicContact CB-CB 4.34Å; W270-F279 PolarHBondContact N-O 3.3Å; W270-F279 PolarHBondContact O-N 3.19Å; C272-F279 HydrophobicContact CB-CE2 4.09Å; R277-F279 HydrophobicContact CB-CE1 4.49Å; R277-F279 HydrophobicContact CB-CE2 3.55Å; R277-F279 HydrophobicContact CB-CZ 3.51Å; R277-F279 HydrophobicContact CG-CZ 4.41Å; F279-Q284 HydrophobicContact CB-CB 3.92Å; F279-Q284 HydrophobicContact CD1-CB 3.9Å; F279-Q284 HydrophobicContact CG-CB 4.25Å; F279-L285 HydrophobicContact CB-CB 4.19Å; F279-L285 HydrophobicContact CD2-CB 3.88Å; F279-L285 HydrophobicContact CD2-CD1 3.7Å; F279-L285 HydrophobicContact CD2-CG 4.31Å; F279-L285 HydrophobicContact CE2-CD1 3.75Å; F279-L285 HydrophobicContact CG-CB 4.13Å; F279-H288 HydrophobicContact CE1-CB 3.7Å; F279-H288 AromaticContact CE1-CG 3.99Å; F279-H288 HydrophobicContact CE2-CB 4.1Å; F279-H288 AromaticContact CE2-CD2 3.44Å; F279-H288 VanDerWaalsContact CE2-CD2 3.44Å; F279-H288 WeakPolarHBondContact CE2-CD2 3.29Å; F279-H288 AromaticContact CE2-CG 3.84Å; F279-H288 HydrophobicContact CZ-CB 3.43Å; F279-H288 VanDerWaalsContact CZ-CB 3.43Å; F279-H288 AromaticContact CZ-CD2 3.32Å; F279-H288 WeakPolarHBondContact CZ-CD2 3.49Å; F279-H288 AromaticContact CZ-CG 3.23Å; F279-H288 AromaticContact CZ-ND1 3.91Å
280	S	76.3	Confident	76.6	Confident	81 Å²	81	69 Å²	69	57%	0.566	35%	0.346	S	S	*	.	S	Bend	trans	-82.5	-25.2	-177.7	57.9	0	0	0	0	113.4	Q284	S280-Q284 VanDerWaalsContact N-OE1 3.1Å; S280-Q284 PolarHBondContact OG-NE2 3.43Å; S280-Q284 PolarHBondContact OG-OE1 2.91Å; S280-Q284 VanDerWaalsContact OG-OE1 3.1Å
281	S	80	Confident	76	Confident	37 Å²	37	70.4 Å²	70.4	26%	0.259	36%	0.357	S	S	.	.	S	Bend	trans	-125.1	159.7	173.7	75.8	0	0	0	0	112.6	W270 D283 Q284 L285	W270-S281 VanDerWaalsContact CD1-C 3.42Å; S281-D283 VanDerWaalsContact C-N 3.27Å; S281-D283 PolarHBondContact O-N 3.33Å; S281-Q284 PolarHBondContact O-N 2.92Å; S281-Q284 WeakPolarHBondContact OG-CG 3.38Å; S281-Q284 PolarHBondContact OG-N 2.97Å; S281-Q284 VanDerWaalsContact OG-N 3.12Å; S281-L285 PolarHBondContact O-N 3.19Å
282	F	77.7	Confident	75.4	Confident	90 Å²	90	73 Å²	73	40%	0.395	37%	0.372	S	S	.	.	H	α-helix	trans	-62.9	-37	172.7	-178.1	-105.2	0	0	0	111.1	W270 Q284 L285 K286	W270-F282 HydrophobicContact CD2-CB 4.29Å; W270-F282 HydrophobicContact CD2-CD2 4.11Å; W270-F282 AromaticContact CE3-CD2 3.85Å; W270-F282 HydrophobicContact CE3-CD2 3.85Å; W270-F282 HydrophobicContact CH2-CB 4.5Å; W270-F282 AromaticContact CH2-CD2 3.68Å; W270-F282 HydrophobicContact CH2-CD2 3.68Å; W270-F282 HydrophobicContact CH2-CE2 4.34Å; W270-F282 HydrophobicContact CH2-CG 4.43Å; W270-F282 HydrophobicContact CZ2-CB 3.92Å; W270-F282 AromaticContact CZ2-CD2 3.96Å; W270-F282 HydrophobicContact CZ2-CD2 3.96Å; W270-F282 HydrophobicContact CZ2-CG 4.32Å; W270-F282 AromaticContact CZ3-CD2 3.63Å; W270-F282 HydrophobicContact CZ3-CD2 3.63Å; W270-F282 HydrophobicContact CZ3-CE2 4.13Å; F282-Q284 PolarHBondContact O-N 3.12Å; F282-L285 PolarHBondContact O-N 3.41Å; F282-L285 VanDerWaalsContact O-N 3.14Å; F282-K286 HydrophobicContact CE1-CD 4.34Å; F282-K286 WeakPolarHBondContact O-CB 3.48Å; F282-K286 PolarHBondContact O-N 3.28Å
283	D	80.5	Confident	74.8	Confident	110 Å²	110	74.8 Å²	74.8	59%	0.588	38%	0.38	S	S	*	.	H	α-helix	trans	-65.3	-37.9	179.1	-54.9	-59.8	0	0	0	112.4	S281 L285 K286 L287	S281-D283 VanDerWaalsContact C-N 3.27Å; S281-D283 PolarHBondContact O-N 3.33Å; D283-L285 VanDerWaalsContact C-N 3.33Å; D283-L285 PolarHBondContact O-N 2.72Å; D283-K286 PolarHBondContact O-N 2.84Å; D283-L287 WeakPolarHBondContact O-CB 3.47Å; D283-L287 PolarHBondContact O-N 2.98Å
284	Q	79.4	Confident	74.1	Confident	88 Å²	88	75.1 Å²	75.1	41%	0.411	39%	0.386	S	S	.	.	H	α-helix	trans	-62.8	-39	172.3	-77.1	-179.7	3.3	0	0	112.2	F279 S280 S281 F282 H288	F279-Q284 HydrophobicContact CB-CB 3.92Å; F279-Q284 HydrophobicContact CD1-CB 3.9Å; F279-Q284 HydrophobicContact CG-CB 4.25Å; S280-Q284 VanDerWaalsContact N-OE1 3.1Å; S280-Q284 PolarHBondContact OG-NE2 3.43Å; S280-Q284 PolarHBondContact OG-OE1 2.91Å; S280-Q284 VanDerWaalsContact OG-OE1 3.1Å; S281-Q284 PolarHBondContact O-N 2.92Å; S281-Q284 WeakPolarHBondContact OG-CG 3.38Å; S281-Q284 PolarHBondContact OG-N 2.97Å; S281-Q284 VanDerWaalsContact OG-N 3.12Å; F282-Q284 PolarHBondContact O-N 3.12Å; Q284-H288 VanDerWaalsContact O-CB 3.3Å; Q284-H288 WeakPolarHBondContact O-CB 3.46Å; Q284-H288 PolarHBondContact O-N 3.04Å
285	L	81.1	Confident	73.6	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-68.8	-43.1	175.1	175.1	53.6	0	0	0	111.6	N263 W270 V271 C272 F279 S281 F282 D283 H288 Q289	N263-L285 HydrophobicContact CB-CD2 3.63Å; N263-L285 VanDerWaalsContact CG-CD2 3.41Å; N263-L285 WeakPolarHBondContact ND2-CD2 3.45Å; W270-L285 HydrophobicContact CB-CB 4.23Å; W270-L285 HydrophobicContact CB-CD2 3.8Å; W270-L285 HydrophobicContact CE3-CD2 4.35Å; V271-L285 WeakPolarHBondContact O-CD2 3.45Å; C272-L285 HydrophobicContact CB-CD1 3.52Å; F279-L285 HydrophobicContact CB-CB 4.19Å; F279-L285 HydrophobicContact CD2-CB 3.88Å; F279-L285 HydrophobicContact CD2-CD1 3.7Å; F279-L285 HydrophobicContact CD2-CG 4.31Å; F279-L285 HydrophobicContact CE2-CD1 3.75Å; F279-L285 HydrophobicContact CG-CB 4.13Å; S281-L285 PolarHBondContact O-N 3.19Å; F282-L285 PolarHBondContact O-N 3.41Å; F282-L285 VanDerWaalsContact O-N 3.14Å; D283-L285 VanDerWaalsContact C-N 3.33Å; D283-L285 PolarHBondContact O-N 2.72Å; L285-H288 WeakPolarHBondContact O-CB 3.33Å; L285-H288 PolarHBondContact O-N 3.46Å; L285-Q289 HydrophobicContact CD1-CG 4.04Å; L285-Q289 WeakPolarHBondContact O-CG 3.28Å; L285-Q289 PolarHBondContact O-N 2.85Å
286	K	76.5	Confident	72.7	Confident	102 Å²	102	79.8 Å²	79.8	44%	0.443	41%	0.406	S	S	.	.	H	α-helix	trans	-61.6	-45.7	176.6	-171.9	178.2	-179.7	-177.2	0	111.4	F282 D283 H288 Q289 Q290	F282-K286 HydrophobicContact CE1-CD 4.34Å; F282-K286 WeakPolarHBondContact O-CB 3.48Å; F282-K286 PolarHBondContact O-N 3.28Å; D283-K286 PolarHBondContact O-N 2.84Å; K286-H288 VanDerWaalsContact C-N 3.33Å; K286-H288 PolarHBondContact O-N 3.35Å; K286-Q289 PolarHBondContact O-N 3.1Å; K286-Q290 WeakPolarHBondContact O-CB 3.02Å; K286-Q290 WeakPolarHBondContact O-CG 3.16Å; K286-Q290 PolarHBondContact O-N 3.28Å
287	L	78.7	Confident	71.9	Confident	87 Å²	87	79.7 Å²	79.7	46%	0.455	39%	0.391	S	S	.	.	H	α-helix	trans	-62.3	-39	174.5	-174.2	67.2	0	0	0	111.6	D283 I291	D283-L287 WeakPolarHBondContact O-CB 3.47Å; D283-L287 PolarHBondContact O-N 2.98Å; L287-I291 HydrophobicContact CD1-CD1 3.62Å; L287-I291 HydrophobicContact CD1-CG1 4.33Å; L287-I291 HydrophobicContact CG-CD1 3.85Å; L287-I291 WeakPolarHBondContact O-CB 3.14Å; L287-I291 VanDerWaalsContact O-CG1 3.29Å; L287-I291 WeakPolarHBondContact O-CG1 3.11Å; L287-I291 PolarHBondContact O-N 2.93Å
288	H	78.9	Confident	71.2	Confident	12 Å²	12	73.8 Å²	73.8	6%	0.056	38%	0.376	C	S	.	.	H	α-helix	trans	-63.9	-46.1	172.6	164.3	59	0	0	0	112.3	C272 C275 F279 Q284 L285 K286 I291 V292 H293	C272-H288 VanDerWaalsContact SG-CD2 3.58Å; C272-H288 PolarHBondContact SG-NE2 3.08Å; C275-H288 VanDerWaalsContact SG-CE1 3.5Å; C275-H288 PolarHBondContact SG-NE2 2.97Å; F279-H288 HydrophobicContact CE1-CB 3.7Å; F279-H288 AromaticContact CE1-CG 3.99Å; F279-H288 HydrophobicContact CE2-CB 4.1Å; F279-H288 AromaticContact CE2-CD2 3.44Å; F279-H288 VanDerWaalsContact CE2-CD2 3.44Å; F279-H288 WeakPolarHBondContact CE2-CD2 3.29Å; F279-H288 AromaticContact CE2-CG 3.84Å; F279-H288 HydrophobicContact CZ-CB 3.43Å; F279-H288 VanDerWaalsContact CZ-CB 3.43Å; F279-H288 AromaticContact CZ-CD2 3.32Å; F279-H288 WeakPolarHBondContact CZ-CD2 3.49Å; F279-H288 AromaticContact CZ-CG 3.23Å; F279-H288 AromaticContact CZ-ND1 3.91Å; Q284-H288 VanDerWaalsContact O-CB 3.3Å; Q284-H288 WeakPolarHBondContact O-CB 3.46Å; Q284-H288 PolarHBondContact O-N 3.04Å; L285-H288 WeakPolarHBondContact O-CB 3.33Å; L285-H288 PolarHBondContact O-N 3.46Å; K286-H288 VanDerWaalsContact C-N 3.33Å; K286-H288 PolarHBondContact O-N 3.35Å; H288-I291 PolarHBondContact O-N 2.94Å; H288-V292 VanDerWaalsContact ND1-CG2 3.33Å; H288-V292 WeakPolarHBondContact ND1-CG2 3.42Å; H288-V292 VanDerWaalsContact O-CB 3.24Å; H288-V292 WeakPolarHBondContact O-CB 3.33Å; H288-V292 WeakPolarHBondContact O-CG2 3.46Å; H288-V292 PolarHBondContact O-N 3.22Å; H288-H293 AromaticContact CE1-NE2 3.8Å; H288-H293 AromaticContact NE2-CD2 3.95Å; H288-H293 AromaticContact NE2-NE2 3.64Å
289	Q	75.2	Confident	70.4	Confident	22 Å²	22	70.9 Å²	70.9	10%	0.103	37%	0.365	C	S	.	.	H	α-helix	trans	-64.4	-41.4	179	-75.7	169.5	-22.6	0	0	111.3	L261 N263 D273 L285 K286 H293	L261-Q289 HydrophobicContact CD2-CG 4.2Å; L261-Q289 VanDerWaalsContact CD2-NE2 3.27Å; N263-Q289 PolarHBondContact ND2-OE1 3.12Å; N263-Q289 PolarHBondContact OD1-NE2 3.11Å; D273-Q289 PolarHBondContact OD1-NE2 3.28Å; D273-Q289 VanDerWaalsContact OD1-NE2 3.09Å; L285-Q289 HydrophobicContact CD1-CG 4.04Å; L285-Q289 WeakPolarHBondContact O-CG 3.28Å; L285-Q289 PolarHBondContact O-N 2.85Å; K286-Q289 PolarHBondContact O-N 3.1Å; Q289-H293 CarbonylContact O-C 3.47Å; Q289-H293 VanDerWaalsContact O-C 3.22Å; Q289-H293 VanDerWaalsContact O-CA 3.27Å; Q289-H293 WeakPolarHBondContact O-CA 3.41Å; Q289-H293 WeakPolarHBondContact O-CB 3.19Å; Q289-H293 PolarHBondContact O-N 2.84Å
290	Q	69.6	Low	69.9	Low	118 Å²	118	75.7 Å²	75.7	55%	0.551	38%	0.383	S	S	*	.	H	α-helix	trans	-65.2	-40.5	175.9	-72.7	174.2	-23	0	0	113.4	K286	K286-Q290 WeakPolarHBondContact O-CB 3.02Å; K286-Q290 WeakPolarHBondContact O-CG 3.16Å; K286-Q290 PolarHBondContact O-N 3.28Å
291	I	68.1	Low	70.1	Confident	88 Å²	88	71.9 Å²	71.9	45%	0.451	36%	0.357	S	S	.	.	H	α-helix	trans	-85.7	-32.7	-175.6	-67	176.6	0	0	0	112.9	L287 H288	L287-I291 HydrophobicContact CD1-CD1 3.62Å; L287-I291 HydrophobicContact CD1-CG1 4.33Å; L287-I291 HydrophobicContact CG-CD1 3.85Å; L287-I291 WeakPolarHBondContact O-CB 3.14Å; L287-I291 VanDerWaalsContact O-CG1 3.29Å; L287-I291 WeakPolarHBondContact O-CG1 3.11Å; L287-I291 PolarHBondContact O-N 2.93Å; H288-I291 PolarHBondContact O-N 2.94Å
292	V	64.9	Low	69.8	Low	76 Å²	76	78.3 Å²	78.3	46%	0.461	38%	0.375	S	S	.	.	H	α-helix	trans	-105.2	-17.4	-172.7	-172.1	0	0	0	0	112.4	H288	H288-V292 VanDerWaalsContact ND1-CG2 3.33Å; H288-V292 WeakPolarHBondContact ND1-CG2 3.42Å; H288-V292 VanDerWaalsContact O-CB 3.24Å; H288-V292 WeakPolarHBondContact O-CB 3.33Å; H288-V292 WeakPolarHBondContact O-CG2 3.46Å; H288-V292 PolarHBondContact O-N 3.22Å
293	H	65.9	Low	69.7	Low	46 Å²	46	76.7 Å²	76.7	21%	0.213	37%	0.368	C	S	.	.	S	Bend	trans	-135.2	55.4	-178.7	-55.8	-56.6	0	0	0	113.1	R274 H288 Q289 H295	R274-H293 WeakPolarHBondContact CB-NE2 3.47Å; H288-H293 AromaticContact CE1-NE2 3.8Å; H288-H293 AromaticContact NE2-CD2 3.95Å; H288-H293 AromaticContact NE2-NE2 3.64Å; Q289-H293 CarbonylContact O-C 3.47Å; Q289-H293 VanDerWaalsContact O-C 3.22Å; Q289-H293 VanDerWaalsContact O-CA 3.27Å; Q289-H293 WeakPolarHBondContact O-CA 3.41Å; Q289-H293 WeakPolarHBondContact O-CB 3.19Å; Q289-H293 PolarHBondContact O-N 2.84Å; H293-H295 PolarHBondContact O-N 2.95Å
294	P	54.2	Low	69.5	Low	80 Å²	80	73.7 Å²	73.7	52%	0.519	36%	0.355	S	S	.	.			trans	-67.7	-31.5	-160.4	-19.4	33.7	0	0	0	115.1
295	H	54.9	Low	69.1	Low	103 Å²	103	75.2 Å²	75.2	48%	0.477	37%	0.366	S	S	.	.			trans	-131.9	147.3	-175.8	-66.3	-62.3	0	0	0	111.6	H293 A298 E307	H293-H295 PolarHBondContact O-N 2.95Å; H295-A298 HydrophobicContact CB-CB 3.53Å; H295-E307 IonicContact CD2-OE2 2.97Å; H295-E307 PolarHBondContact CD2-OE2 3.37Å; H295-E307 IonicContact NE2-OE2 3.72Å
296	K	52.7	Low	68.8	Low	128 Å²	128	83.9 Å²	83.9	56%	0.557	40%	0.399	S	S	*	.	S	Bend	trans	-85.5	-25.7	179	-76.9	-179.4	173.3	179.1	0	113.2
297	D	53.6	Low	68.8	Low	101 Å²	101	83.9 Å²	83.9	54%	0.54	40%	0.4	S	S	.	.	S	Bend	trans	-130.4	13.3	-171.3	-54.1	-75.4	0	0	0	114.2	Y299	D297-Y299 WeakPolarHBondContact O-CD2 3.42Å
298	A	60.8	Low	68.6	Low	32 Å²	32	81.7 Å²	81.7	26%	0.264	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	120.1	177	0	0	0	0	0	111	H295 E307 F309	H295-A298 HydrophobicContact CB-CB 3.53Å; A298-E307 HydrophobicContact CB-CB 4.36Å; A298-F309 HydrophobicContact CB-CE1 4.14Å
299	Y	64.8	Low	68.2	Low	62 Å²	62	88 Å²	88	24%	0.243	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	122.3	171.1	-62.6	-104.1	0	0	0	109.2	D297 C301 L308 F310 D313 F316	D297-Y299 WeakPolarHBondContact O-CD2 3.42Å; Y299-C301 PolarHBondContact O-N 3.24Å; Y299-L308 PolarHBondContact N-O 2.89Å; Y299-L308 PolarHBondContact O-N 3.33Å; Y299-F310 HydrophobicContact CD2-CB 3.78Å; Y299-F310 HydrophobicContact CD2-CD2 4.22Å; Y299-F310 HydrophobicContact CE2-CB 3.96Å; Y299-F310 WeakPolarHBondContact CE2-O 3.49Å; Y299-F310 HydrophobicContact CG-CD2 4.38Å; Y299-D313 HydrophobicContact CE1-CB 4.14Å; Y299-D313 PolarHBondContact OH-N 3.43Å; Y299-D313 VanDerWaalsContact OH-N 3.1Å; Y299-F316 HydrophobicContact CD1-CB 3.68Å; Y299-F316 AromaticContact CD1-CD1 3.42Å; Y299-F316 HydrophobicContact CD1-CD1 3.42Å; Y299-F316 VanDerWaalsContact CD1-CD1 3.42Å; Y299-F316 HydrophobicContact CD1-CD2 4.22Å; Y299-F316 HydrophobicContact CD1-CE1 4.02Å; Y299-F316 AromaticContact CD1-CG 3.51Å; Y299-F316 HydrophobicContact CD1-CG 3.51Å; Y299-F316 HydrophobicContact CD2-CB 4.39Å; Y299-F316 HydrophobicContact CE1-CB 4.13Å; Y299-F316 HydrophobicContact CE1-CD1 4.22Å; Y299-F316 HydrophobicContact CE1-CG 4.37Å; Y299-F316 HydrophobicContact CG-CB 3.83Å; Y299-F316 HydrophobicContact CG-CD1 4.05Å; Y299-F316 AromaticContact CG-CD2 3.99Å; Y299-F316 HydrophobicContact CG-CD2 3.99Å; Y299-F316 AromaticContact CG-CG 3.7Å; Y299-F316 HydrophobicContact CG-CG 3.7Å
300	Y	73	Confident	68	Low	127 Å²	127	89 Å²	89	50%	0.498	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	110.9	176.8	-177	-94.7	0	0	0	110.8	R302 N305 E307 F316	Y300-R302 HydrophobicContact CE1-CB 4.42Å; Y300-R302 PolarHBondContact O-N 3.39Å; Y300-N305 PolarHBondContact OH-OD1 2.81Å; Y300-E307 HydrophobicContact CD2-CG 4.29Å; Y300-F316 WeakPolarHBondContact O-CZ 3.48Å
301	C	82	Confident	67.6	Low	1 Å²	1	88.1 Å²	88.1	1%	0.007	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	110.1	171.7	-178.1	0	0	0	0	111	Y299 F303 C304 N305 R306 L308 F316 H319 H324	Y299-C301 PolarHBondContact O-N 3.24Å; C301-F303 PolarHBondContact O-N 3.33Å; C301-F303 VanDerWaalsContact O-N 3.12Å; C301-F303 PolarHBondContact SG-N 3.48Å; C301-C304 HydrophobicContact CB-CB 4.02Å; C301-C304 PolarHBondContact O-N 3.2Å; C301-C304 PolarHBondContact SG-N 3.25Å; C301-N305 PolarHBondContact O-N 2.96Å; C301-R306 PolarHBondContact N-O 2.82Å; C301-L308 HydrophobicContact CB-CD1 3.69Å; C301-L308 HydrophobicContact CB-CG 4.48Å; C301-F316 HydrophobicContact CB-CE2 4.09Å; C301-H319 WeakPolarHBondContact CB-NE2 3.43Å; C301-H319 PolarHBondContact SG-NE2 2.9Å; C301-H324 PolarHBondContact SG-NE2 3.06Å; C301-H324 VanDerWaalsContact SG-NE2 3.41Å
302	R	73	Confident	67.5	Low	171 Å²	171	87.8 Å²	87.8	65%	0.645	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-31.3	174.8	173.1	176.5	163.5	167.1	-5.3	113.7	Y300 E331	Y300-R302 HydrophobicContact CE1-CB 4.42Å; Y300-R302 PolarHBondContact O-N 3.39Å; R302-E331 IonicContact NH2-OE1 3.71Å
303	F	76.6	Confident	67.8	Low	56 Å²	56	87.6 Å²	87.6	25%	0.246	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-30.9	-176.4	-55	-72.9	0	0	0	113.2	C301 I320 H324 V327 M328	C301-F303 PolarHBondContact O-N 3.33Å; C301-F303 VanDerWaalsContact O-N 3.12Å; C301-F303 PolarHBondContact SG-N 3.48Å; F303-I320 HydrophobicContact CE2-CG2 4.2Å; F303-H324 HydrophobicContact CB-CB 3.95Å; F303-H324 VanDerWaalsContact CB-CE1 3.47Å; F303-H324 WeakPolarHBondContact CB-CE1 3.49Å; F303-H324 WeakPolarHBondContact CB-ND1 3.25Å; F303-H324 HydrophobicContact CD2-CB 3.67Å; F303-H324 AromaticContact CD2-CD2 3.96Å; F303-H324 AromaticContact CD2-CG 3.68Å; F303-H324 HydrophobicContact CE2-CB 4.29Å; F303-H324 HydrophobicContact CG-CB 3.82Å; F303-H324 AromaticContact CG-CG 3.67Å; F303-H324 AromaticContact CG-ND1 3.96Å; F303-V327 HydrophobicContact CD1-CB 4.25Å; F303-V327 HydrophobicContact CD1-CG1 3.7Å; F303-V327 HydrophobicContact CE1-CG1 4.14Å; F303-M328 HydrophobicContact CE1-SD 4.25Å; F303-M328 HydrophobicContact CE2-SD 4.2Å; F303-M328 HydrophobicContact CZ-CG 4.06Å; F303-M328 HydrophobicContact CZ-SD 3.5Å; F303-M328 VanDerWaalsContact CZ-SD 3.5Å
304	C	75	Confident	68.2	Low	47 Å²	47	88.4 Å²	88.4	32%	0.318	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-18	169.2	-74.4	0	0	0	0	113.3	C301 R306 L308 H319 H324	C301-C304 HydrophobicContact CB-CB 4.02Å; C301-C304 PolarHBondContact O-N 3.2Å; C301-C304 PolarHBondContact SG-N 3.25Å; C304-R306 HydrophobicContact CB-CB 4.49Å; C304-R306 PolarHBondContact O-N 3.28Å; C304-L308 HydrophobicContact CB-CD1 4.27Å; C304-H319 PolarHBondContact SG-CE1 3.07Å; C304-H324 PolarHBondContact SG-CE1 3.48Å; C304-H324 PolarHBondContact SG-NE2 2.88Å
305	N	71.2	Confident	69.3	Low	121 Å²	121	86.2 Å²	86.2	65%	0.647	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	35.7	-174.5	-144.6	47.4	0	0	0	112.8	Y300 C301	Y300-N305 PolarHBondContact OH-OD1 2.81Å; C301-N305 PolarHBondContact O-N 2.96Å
306	R	75.9	Confident	70.6	Confident	182 Å²	182	82.8 Å²	82.8	69%	0.687	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.9	154	-177.3	-68.7	-177.3	-175.4	-168	-0.1	110.2	C301 C304	C301-R306 PolarHBondContact N-O 2.82Å; C304-R306 HydrophobicContact CB-CB 4.49Å; C304-R306 PolarHBondContact O-N 3.28Å
307	E	75.6	Confident	71.8	Confident	101 Å²	101	81.7 Å²	81.7	47%	0.472	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	134.6	164.7	-65	-172.8	176.9	0	0	109.6	H295 A298 Y300	H295-E307 IonicContact CD2-OE2 2.97Å; H295-E307 PolarHBondContact CD2-OE2 3.37Å; H295-E307 IonicContact NE2-OE2 3.72Å; A298-E307 HydrophobicContact CB-CB 4.36Å; Y300-E307 HydrophobicContact CD2-CG 4.29Å
308	L	73.8	Confident	73.1	Confident	42 Å²	42	78.2 Å²	78.2	22%	0.22	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	134.5	-177.5	-63.9	176	0	0	0	109.6	Y299 C301 C304 F310 H319	Y299-L308 PolarHBondContact N-O 2.89Å; Y299-L308 PolarHBondContact O-N 3.33Å; C301-L308 HydrophobicContact CB-CD1 3.69Å; C301-L308 HydrophobicContact CB-CG 4.48Å; C304-L308 HydrophobicContact CB-CD1 4.27Å; L308-F310 HydrophobicContact CB-CD2 3.98Å; L308-F310 HydrophobicContact CB-CE2 3.39Å; L308-F310 HydrophobicContact CB-CZ 4.15Å; L308-F310 HydrophobicContact CD1-CE2 3.83Å; L308-F310 HydrophobicContact CD1-CZ 4.11Å; L308-F310 HydrophobicContact CG-CE2 4.27Å; L308-H319 VanDerWaalsContact CD1-CE1 3.43Å; L308-H319 WeakPolarHBondContact CD1-CE1 3.41Å; L308-H319 WeakPolarHBondContact CD1-NE2 3.27Å
309	F	72.1	Confident	74.3	Confident	145 Å²	145	77.4 Å²	77.4	64%	0.636	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	120.9	178.9	-63.1	-83.6	0	0	0	109.7	A298	A298-F309 HydrophobicContact CB-CE1 4.14Å
310	F	70.9	Confident	75	Confident	42 Å²	42	76.6 Å²	76.6	18%	0.184	39%	0.385	C	S	.	.			trans	-129.4	137.5	177.8	-73.2	-73.9	0	0	0	109.7	Y299 L308 N312 F316 H319	Y299-F310 HydrophobicContact CD2-CB 3.78Å; Y299-F310 HydrophobicContact CD2-CD2 4.22Å; Y299-F310 HydrophobicContact CE2-CB 3.96Å; Y299-F310 WeakPolarHBondContact CE2-O 3.49Å; Y299-F310 HydrophobicContact CG-CD2 4.38Å; L308-F310 HydrophobicContact CB-CD2 3.98Å; L308-F310 HydrophobicContact CB-CE2 3.39Å; L308-F310 HydrophobicContact CB-CZ 4.15Å; L308-F310 HydrophobicContact CD1-CE2 3.83Å; L308-F310 HydrophobicContact CD1-CZ 4.11Å; L308-F310 HydrophobicContact CG-CE2 4.27Å; F310-N312 PolarHBondContact O-N 3.37Å; F310-N312 VanDerWaalsContact O-N 3.1Å; F310-F316 HydrophobicContact CB-CB 4.22Å; F310-F316 HydrophobicContact CD2-CB 3.79Å; F310-F316 AromaticContact CD2-CD2 3.75Å; F310-F316 HydrophobicContact CD2-CD2 3.75Å; F310-F316 HydrophobicContact CD2-CG 4.24Å; F310-F316 HydrophobicContact CE2-CB 4.38Å; F310-F316 AromaticContact CE2-CD2 3.72Å; F310-F316 HydrophobicContact CE2-CD2 3.72Å; F310-F316 HydrophobicContact CG-CB 4.02Å; F310-H319 HydrophobicContact CE1-CB 3.7Å; F310-H319 HydrophobicContact CE2-CB 4.05Å; F310-H319 AromaticContact CE2-CG 3.99Å; F310-H319 HydrophobicContact CZ-CB 3.28Å; F310-H319 AromaticContact CZ-CD2 3.9Å; F310-H319 AromaticContact CZ-CG 3.38Å; F310-H319 AromaticContact CZ-ND1 3.86Å
311	A	60.3	Low	75.3	Confident	100 Å²	100	78.8 Å²	78.8	83%	0.826	39%	0.392	S	S	*	.	S	Bend	trans	-63.9	-17.1	-178.7	0	0	0	0	0	113.6
312	N	67.3	Low	75.2	Confident	81 Å²	81	84.3 Å²	84.3	43%	0.433	42%	0.422	S	S	.	.	S	Bend	trans	-167.6	165.8	176.1	50.2	42.3	0	0	0	112.1	F310 A314 S315 F316	F310-N312 PolarHBondContact O-N 3.37Å; F310-N312 VanDerWaalsContact O-N 3.1Å; N312-A314 PolarHBondContact O-N 2.74Å; N312-A314 VanDerWaalsContact O-N 3.17Å; N312-A314 PolarHBondContact OD1-N 3.35Å; N312-S315 PolarHBondContact N-OG 3.19Å; N312-S315 PolarHBondContact O-N 2.96Å; N312-S315 VanDerWaalsContact O-N 3.12Å; N312-S315 PolarHBondContact O-OG 2.82Å; N312-S315 WeakPolarHBondContact OD1-CB 3.38Å; N312-S315 PolarHBondContact OD1-N 2.93Å; N312-S315 PolarHBondContact OD1-OG 3.17Å; N312-F316 PolarHBondContact O-N 3.42Å
313	D	71.3	Confident	75.5	Confident	72 Å²	72	81.2 Å²	81.2	39%	0.385	42%	0.418	S	S	.	.	H	α-helix	trans	-57.3	-28.6	175	164.9	78.1	0	0	0	113.3	Y299 F316 K317	Y299-D313 HydrophobicContact CE1-CB 4.14Å; Y299-D313 PolarHBondContact OH-N 3.43Å; Y299-D313 VanDerWaalsContact OH-N 3.1Å; D313-F316 PolarHBondContact O-N 2.96Å; D313-K317 VanDerWaalsContact CG-NZ 3.28Å; D313-K317 WeakPolarHBondContact O-CB 3.07Å; D313-K317 WeakPolarHBondContact O-CG 3.1Å; D313-K317 PolarHBondContact O-N 2.89Å; D313-K317 WeakPolarHBondContact OD1-CE 3.27Å; D313-K317 IonicContact OD1-NZ 2.68Å; D313-K317 PolarHBondContact OD1-NZ 3.33Å; D313-K317 VanDerWaalsContact OD1-NZ 3.1Å; D313-K317 WeakPolarHBondContact OD2-CD 3.21Å; D313-K317 WeakPolarHBondContact OD2-CE 3.45Å; D313-K317 IonicContact OD2-NZ 3.35Å; D313-K317 PolarHBondContact OD2-NZ 3.33Å
314	A	73.6	Confident	75.9	Confident	62 Å²	62	79.1 Å²	79.1	51%	0.512	41%	0.409	S	S	.	.	H	α-helix	trans	-66.4	-39.4	176.7	0	0	0	0	0	112.6	N312 K317 A318	N312-A314 PolarHBondContact O-N 2.74Å; N312-A314 VanDerWaalsContact O-N 3.17Å; N312-A314 PolarHBondContact OD1-N 3.35Å; A314-K317 PolarHBondContact O-N 3.48Å; A314-A318 PolarHBondContact O-N 3.28Å
315	S	76.1	Confident	75.9	Confident	34 Å²	34	84.5 Å²	84.5	24%	0.238	42%	0.423	C	S	.	.	H	α-helix	trans	-74.2	-35.2	176.3	47.1	0	0	0	0	112.1	N312 A318 H319	N312-S315 PolarHBondContact N-OG 3.19Å; N312-S315 PolarHBondContact O-N 2.96Å; N312-S315 VanDerWaalsContact O-N 3.12Å; N312-S315 PolarHBondContact O-OG 2.82Å; N312-S315 WeakPolarHBondContact OD1-CB 3.38Å; N312-S315 PolarHBondContact OD1-N 2.93Å; N312-S315 PolarHBondContact OD1-OG 3.17Å; S315-A318 WeakPolarHBondContact O-CB 3.48Å; S315-A318 PolarHBondContact O-N 3.26Å; S315-H319 PolarHBondContact O-N 3.37Å
316	F	82.9	Confident	76	Confident	31 Å²	31	80.5 Å²	80.5	14%	0.136	41%	0.41	C	S	.	.	H	α-helix	trans	-61.9	-41.8	168.2	176.8	-122	0	0	0	112.8	Y299 Y300 C301 F310 N312 D313 A318 H319 I320	Y299-F316 HydrophobicContact CD1-CB 3.68Å; Y299-F316 AromaticContact CD1-CD1 3.42Å; Y299-F316 HydrophobicContact CD1-CD1 3.42Å; Y299-F316 VanDerWaalsContact CD1-CD1 3.42Å; Y299-F316 HydrophobicContact CD1-CD2 4.22Å; Y299-F316 HydrophobicContact CD1-CE1 4.02Å; Y299-F316 AromaticContact CD1-CG 3.51Å; Y299-F316 HydrophobicContact CD1-CG 3.51Å; Y299-F316 HydrophobicContact CD2-CB 4.39Å; Y299-F316 HydrophobicContact CE1-CB 4.13Å; Y299-F316 HydrophobicContact CE1-CD1 4.22Å; Y299-F316 HydrophobicContact CE1-CG 4.37Å; Y299-F316 HydrophobicContact CG-CB 3.83Å; Y299-F316 HydrophobicContact CG-CD1 4.05Å; Y299-F316 AromaticContact CG-CD2 3.99Å; Y299-F316 HydrophobicContact CG-CD2 3.99Å; Y299-F316 AromaticContact CG-CG 3.7Å; Y299-F316 HydrophobicContact CG-CG 3.7Å; Y300-F316 WeakPolarHBondContact O-CZ 3.48Å; C301-F316 HydrophobicContact CB-CE2 4.09Å; F310-F316 HydrophobicContact CB-CB 4.22Å; F310-F316 HydrophobicContact CD2-CB 3.79Å; F310-F316 AromaticContact CD2-CD2 3.75Å; F310-F316 HydrophobicContact CD2-CD2 3.75Å; F310-F316 HydrophobicContact CD2-CG 4.24Å; F310-F316 HydrophobicContact CE2-CB 4.38Å; F310-F316 AromaticContact CE2-CD2 3.72Å; F310-F316 HydrophobicContact CE2-CD2 3.72Å; F310-F316 HydrophobicContact CG-CB 4.02Å; N312-F316 PolarHBondContact O-N 3.42Å; D313-F316 PolarHBondContact O-N 2.96Å; F316-A318 VanDerWaalsContact C-N 3.31Å; F316-A318 PolarHBondContact O-N 3.41Å; F316-H319 WeakPolarHBondContact O-CB 3.47Å; F316-H319 PolarHBondContact O-N 3.48Å; F316-I320 HydrophobicContact CD1-CD1 4.13Å; F316-I320 HydrophobicContact CD2-CD1 4.48Å; F316-I320 HydrophobicContact CE1-CD1 3.67Å; F316-I320 HydrophobicContact CE2-CD1 4.06Å; F316-I320 HydrophobicContact CE2-CG1 4.32Å; F316-I320 HydrophobicContact CZ-CD1 3.65Å; F316-I320 HydrophobicContact CZ-CG1 4.37Å; F316-I320 PolarHBondContact O-N 3.15Å
317	K	77.2	Confident	75.8	Confident	105 Å²	105	74.3 Å²	74.3	46%	0.457	39%	0.392	S	S	.	.	H	α-helix	trans	-70.8	-22.8	173.8	-75.1	170	178.4	160.5	0	113.5	D313 A314 R321	D313-K317 VanDerWaalsContact CG-NZ 3.28Å; D313-K317 WeakPolarHBondContact O-CB 3.07Å; D313-K317 WeakPolarHBondContact O-CG 3.1Å; D313-K317 PolarHBondContact O-N 2.89Å; D313-K317 WeakPolarHBondContact OD1-CE 3.27Å; D313-K317 IonicContact OD1-NZ 2.68Å; D313-K317 PolarHBondContact OD1-NZ 3.33Å; D313-K317 VanDerWaalsContact OD1-NZ 3.1Å; D313-K317 WeakPolarHBondContact OD2-CD 3.21Å; D313-K317 WeakPolarHBondContact OD2-CE 3.45Å; D313-K317 IonicContact OD2-NZ 3.35Å; D313-K317 PolarHBondContact OD2-NZ 3.33Å; A314-K317 PolarHBondContact O-N 3.48Å; K317-R321 WeakPolarHBondContact O-CG 3.29Å; K317-R321 PolarHBondContact O-N 3.22Å; K317-R321 PolarHBondContact O-NE 3.02Å; K317-R321 VanDerWaalsContact O-NE 3.1Å
318	A	81.8	Confident	75.2	Confident	29 Å²	29	74 Å²	74	24%	0.24	39%	0.392	C	S	.	.	H	α-helix	trans	-71.3	-47.6	168.9	0	0	0	0	0	110.4	A314 S315 F316 I320 R321 N322	A314-A318 PolarHBondContact O-N 3.28Å; S315-A318 WeakPolarHBondContact O-CB 3.48Å; S315-A318 PolarHBondContact O-N 3.26Å; F316-A318 VanDerWaalsContact C-N 3.31Å; F316-A318 PolarHBondContact O-N 3.41Å; A318-I320 PolarHBondContact O-N 3.47Å; A318-R321 PolarHBondContact O-N 2.94Å; A318-R321 VanDerWaalsContact O-N 3.08Å; A318-N322 WeakPolarHBondContact O-CB 3.47Å; A318-N322 VanDerWaalsContact O-CG 3.26Å; A318-N322 PolarHBondContact O-N 2.91Å
319	H	85.1	Confident	75.2	Confident	15 Å²	15	76.6 Å²	76.6	7%	0.069	40%	0.403	C	S	.	.	H	α-helix	trans	-53.2	-48.9	173.3	166.7	74.4	0	0	0	112.9	C301 C304 L308 F310 S315 F316 R321 N322 D323 H324	C301-H319 WeakPolarHBondContact CB-NE2 3.43Å; C301-H319 PolarHBondContact SG-NE2 2.9Å; C304-H319 PolarHBondContact SG-CE1 3.07Å; L308-H319 VanDerWaalsContact CD1-CE1 3.43Å; L308-H319 WeakPolarHBondContact CD1-CE1 3.41Å; L308-H319 WeakPolarHBondContact CD1-NE2 3.27Å; F310-H319 HydrophobicContact CE1-CB 3.7Å; F310-H319 HydrophobicContact CE2-CB 4.05Å; F310-H319 AromaticContact CE2-CG 3.99Å; F310-H319 HydrophobicContact CZ-CB 3.28Å; F310-H319 AromaticContact CZ-CD2 3.9Å; F310-H319 AromaticContact CZ-CG 3.38Å; F310-H319 AromaticContact CZ-ND1 3.86Å; S315-H319 PolarHBondContact O-N 3.37Å; F316-H319 WeakPolarHBondContact O-CB 3.47Å; F316-H319 PolarHBondContact O-N 3.48Å; H319-R321 VanDerWaalsContact C-N 3.29Å; H319-R321 PolarHBondContact O-N 2.93Å; H319-N322 PolarHBondContact O-N 3.34Å; H319-D323 IonicContact CE1-OD2 3.42Å; H319-D323 PolarHBondContact CE1-OD2 2.78Å; H319-D323 IonicContact CG-OD2 3.65Å; H319-D323 IonicContact ND1-OD2 2.66Å; H319-D323 PolarHBondContact ND1-OD2 3.03Å; H319-D323 WeakPolarHBondContact O-CB 3.28Å; H319-D323 PolarHBondContact O-N 3.31Å; H319-H324 AromaticContact CE1-CD2 3.93Å; H319-H324 AromaticContact CE1-NE2 3.26Å; H319-H324 PolarHBondContact CE1-NE2 2.86Å; H319-H324 VanDerWaalsContact CE1-NE2 3.26Å; H319-H324 AromaticContact NE2-CD2 3.56Å; H319-H324 AromaticContact NE2-NE2 3.07Å; H319-H324 PolarHBondContact NE2-NE2 2.76Å
320	I	80.3	Confident	74.9	Confident	45 Å²	45	78.4 Å²	78.4	23%	0.231	41%	0.405	C	S	.	.	H	α-helix	trans	-59.2	-39.3	176.7	-67.7	170.3	0	0	0	112.1	F303 F316 A318	F303-I320 HydrophobicContact CE2-CG2 4.2Å; F316-I320 HydrophobicContact CD1-CD1 4.13Å; F316-I320 HydrophobicContact CD2-CD1 4.48Å; F316-I320 HydrophobicContact CE1-CD1 3.67Å; F316-I320 HydrophobicContact CE2-CD1 4.06Å; F316-I320 HydrophobicContact CE2-CG1 4.32Å; F316-I320 HydrophobicContact CZ-CD1 3.65Å; F316-I320 HydrophobicContact CZ-CG1 4.37Å; F316-I320 PolarHBondContact O-N 3.15Å; A318-I320 PolarHBondContact O-N 3.47Å
321	R	78.7	Confident	74.4	Confident	173 Å²	173	79.5 Å²	79.5	65%	0.653	41%	0.411	S	S	*	.	H	α-helix	trans	-78.9	-32.1	-177.7	-74.2	-176	-65	162.3	3.1	113.7	K317 A318 H319	K317-R321 WeakPolarHBondContact O-CG 3.29Å; K317-R321 PolarHBondContact O-N 3.22Å; K317-R321 PolarHBondContact O-NE 3.02Å; K317-R321 VanDerWaalsContact O-NE 3.1Å; A318-R321 PolarHBondContact O-N 2.94Å; A318-R321 VanDerWaalsContact O-N 3.08Å; H319-R321 VanDerWaalsContact C-N 3.29Å; H319-R321 PolarHBondContact O-N 2.93Å
322	N	80.1	Confident	74.3	Confident	116 Å²	116	76.8 Å²	76.8	62%	0.62	39%	0.388	S	S	*	.	H	α-helix	trans	-89.6	-53.8	-174.7	-65.4	-6.4	0	0	0	110.9	A318 H319	A318-N322 WeakPolarHBondContact O-CB 3.47Å; A318-N322 VanDerWaalsContact O-CG 3.26Å; A318-N322 PolarHBondContact O-N 2.91Å; H319-N322 PolarHBondContact O-N 3.34Å
323	D	79.5	Confident	74.2	Confident	106 Å²	106	75 Å²	75	57%	0.567	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-25.7	-167.7	-56	-25.6	0	0	0	112.1	H319	H319-D323 IonicContact CE1-OD2 3.42Å; H319-D323 PolarHBondContact CE1-OD2 2.78Å; H319-D323 IonicContact CG-OD2 3.65Å; H319-D323 IonicContact ND1-OD2 2.66Å; H319-D323 PolarHBondContact ND1-OD2 3.03Å; H319-D323 WeakPolarHBondContact O-CB 3.28Å; H319-D323 PolarHBondContact O-N 3.31Å
324	H	84.6	Confident	73.4	Confident	13 Å²	13	78.4 Å²	78.4	6%	0.06	40%	0.397	C	S	.	.	S	Bend	trans	-108.9	10.2	-176.2	-59	-59.2	0	0	0	114.5	C301 F303 C304 H319 G326 V327 M328	C301-H324 PolarHBondContact SG-NE2 3.06Å; C301-H324 VanDerWaalsContact SG-NE2 3.41Å; F303-H324 HydrophobicContact CB-CB 3.95Å; F303-H324 VanDerWaalsContact CB-CE1 3.47Å; F303-H324 WeakPolarHBondContact CB-CE1 3.49Å; F303-H324 WeakPolarHBondContact CB-ND1 3.25Å; F303-H324 HydrophobicContact CD2-CB 3.67Å; F303-H324 AromaticContact CD2-CD2 3.96Å; F303-H324 AromaticContact CD2-CG 3.68Å; F303-H324 HydrophobicContact CE2-CB 4.29Å; F303-H324 HydrophobicContact CG-CB 3.82Å; F303-H324 AromaticContact CG-CG 3.67Å; F303-H324 AromaticContact CG-ND1 3.96Å; C304-H324 PolarHBondContact SG-CE1 3.48Å; C304-H324 PolarHBondContact SG-NE2 2.88Å; H319-H324 AromaticContact CE1-CD2 3.93Å; H319-H324 AromaticContact CE1-NE2 3.26Å; H319-H324 PolarHBondContact CE1-NE2 2.86Å; H319-H324 VanDerWaalsContact CE1-NE2 3.26Å; H319-H324 AromaticContact NE2-CD2 3.56Å; H319-H324 AromaticContact NE2-NE2 3.07Å; H319-H324 PolarHBondContact NE2-NE2 2.76Å; H324-G326 VanDerWaalsContact C-N 3.32Å; H324-G326 PolarHBondContact O-N 3.47Å; H324-V327 PolarHBondContact O-N 3.49Å; H324-M328 WeakPolarHBondContact O-CG 3.48Å; H324-M328 PolarHBondContact O-N 3.06Å
325	R	75	Confident	72.4	Confident	160 Å²	160	84.4 Å²	84.4	60%	0.604	41%	0.406	S	S	*	.	H	α-helix	trans	-51.8	-48.8	177.7	-169.7	168.6	178.5	-87.5	-9.2	112.1	V327 M328 E329	R325-V327 VanDerWaalsContact C-N 3.32Å; R325-V327 PolarHBondContact O-N 2.97Å; R325-M328 PolarHBondContact O-N 3.01Å; R325-E329 IonicContact CZ-OE1 3.14Å; R325-E329 IonicContact NE-OE1 3.56Å; R325-E329 IonicContact NH1-OE1 3.4Å; R325-E329 PolarHBondContact NH1-OE1 3.25Å; R325-E329 IonicContact NH2-OE1 3.24Å; R325-E329 PolarHBondContact NH2-OE1 2.77Å; R325-E329 WeakPolarHBondContact O-CB 3.36Å; R325-E329 WeakPolarHBondContact O-CG 3.47Å; R325-E329 PolarHBondContact O-N 3.18Å
326	G	74	Confident	71.3	Confident	36 Å²	36	92.8 Å²	92.8	37%	0.371	43%	0.432	S	S	.	.	H	α-helix	trans	-68.1	-25.6	178	0	0	0	0	0	114.4	H324 R330	H324-G326 VanDerWaalsContact C-N 3.32Å; H324-G326 PolarHBondContact O-N 3.47Å; G326-R330 WeakPolarHBondContact O-CB 3.33Å; G326-R330 WeakPolarHBondContact O-CG 3.41Å; G326-R330 PolarHBondContact O-N 2.96Å
327	V	71.3	Confident	69.8	Low	53 Å²	53	99.4 Å²	99.4	32%	0.321	46%	0.461	S	S	.	.	H	α-helix	trans	-78.3	-42.1	175.4	-174.8	0	0	0	0	110.3	F303 H324 R325 E329 R330 E331	F303-V327 HydrophobicContact CD1-CB 4.25Å; F303-V327 HydrophobicContact CD1-CG1 3.7Å; F303-V327 HydrophobicContact CE1-CG1 4.14Å; H324-V327 PolarHBondContact O-N 3.49Å; R325-V327 VanDerWaalsContact C-N 3.32Å; R325-V327 PolarHBondContact O-N 2.97Å; V327-E329 VanDerWaalsContact C-N 3.35Å; V327-E329 PolarHBondContact O-N 3.19Å; V327-R330 CarbonylContact O-C 3.56Å; V327-R330 PolarHBondContact O-N 2.81Å; V327-E331 PolarHBondContact O-N 3.45Å
328	M	63.8	Low	68.2	Low	94 Å²	94	101.2 Å²	101.2	46%	0.463	48%	0.475	S	S	.	.	H	α-helix	trans	-59.9	-43.2	172.4	-71	-79.5	-100.5	0	0	111.6	F303 H324 R325 E331 A332	F303-M328 HydrophobicContact CE1-SD 4.25Å; F303-M328 HydrophobicContact CE2-SD 4.2Å; F303-M328 HydrophobicContact CZ-CG 4.06Å; F303-M328 HydrophobicContact CZ-SD 3.5Å; F303-M328 VanDerWaalsContact CZ-SD 3.5Å; H324-M328 WeakPolarHBondContact O-CG 3.48Å; H324-M328 PolarHBondContact O-N 3.06Å; R325-M328 PolarHBondContact O-N 3.01Å; M328-E331 PolarHBondContact O-N 3.28Å; M328-A332 VanDerWaalsContact O-CB 3.29Å; M328-A332 WeakPolarHBondContact O-CB 3.33Å; M328-A332 PolarHBondContact O-N 3.4Å
329	E	72.6	Confident	66.3	Low	96 Å²	96	106.3 Å²	106.3	45%	0.449	50%	0.499	S	S	.	.	H	α-helix	trans	-65.2	-39.2	174.3	-73.6	169.7	-179.6	0	0	111.9	R325 V327 A333	R325-E329 IonicContact CZ-OE1 3.14Å; R325-E329 IonicContact NE-OE1 3.56Å; R325-E329 IonicContact NH1-OE1 3.4Å; R325-E329 PolarHBondContact NH1-OE1 3.25Å; R325-E329 IonicContact NH2-OE1 3.24Å; R325-E329 PolarHBondContact NH2-OE1 2.77Å; R325-E329 WeakPolarHBondContact O-CB 3.36Å; R325-E329 WeakPolarHBondContact O-CG 3.47Å; R325-E329 PolarHBondContact O-N 3.18Å; V327-E329 VanDerWaalsContact C-N 3.35Å; V327-E329 PolarHBondContact O-N 3.19Å; E329-A333 VanDerWaalsContact O-CB 3.27Å; E329-A333 WeakPolarHBondContact O-CB 3.36Å; E329-A333 PolarHBondContact O-N 3.26Å
330	R	67.3	Low	64	Low	183 Å²	183	112.7 Å²	112.7	69%	0.691	53%	0.532	S	S	*	.	H	α-helix	trans	-69.6	-37.2	173.9	-75.5	174.5	-161	164.8	6.2	113.6	G326 V327 A333 K334	G326-R330 WeakPolarHBondContact O-CB 3.33Å; G326-R330 WeakPolarHBondContact O-CG 3.41Å; G326-R330 PolarHBondContact O-N 2.96Å; V327-R330 CarbonylContact O-C 3.56Å; V327-R330 PolarHBondContact O-N 2.81Å; R330-A333 PolarHBondContact O-N 3.36Å; R330-K334 WeakPolarHBondContact O-CB 3.42Å; R330-K334 WeakPolarHBondContact O-CG 3.48Å; R330-K334 PolarHBondContact O-N 3.33Å
331	E	59.7	Low	62	Low	65 Å²	65	116.1 Å²	116.1	30%	0.304	56%	0.555	S	S	.	*	H	α-helix	trans	-68.5	-39.9	173.8	-77.5	-162.1	158.7	0	0	111	R302 V327 M328 A333 K334 R335	R302-E331 IonicContact NH2-OE1 3.71Å; V327-E331 PolarHBondContact O-N 3.45Å; M328-E331 PolarHBondContact O-N 3.28Å; E331-A333 VanDerWaalsContact C-N 3.35Å; E331-K334 PolarHBondContact O-N 3.2Å; E331-R335 WeakPolarHBondContact O-CG 3.35Å; E331-R335 PolarHBondContact O-N 3.31Å
332	A	58.8	Low	59.8	Low	43 Å²	43	114.4 Å²	114.4	36%	0.355	56%	0.559	S	S	.	*	H	α-helix	trans	-63	-39.9	171.8	0	0	0	0	0	111.9	M328 R336	M328-A332 VanDerWaalsContact O-CB 3.29Å; M328-A332 WeakPolarHBondContact O-CB 3.33Å; M328-A332 PolarHBondContact O-N 3.4Å; A332-R336 VanDerWaalsContact O-CG 3.32Å; A332-R336 WeakPolarHBondContact O-CG 3.43Å; A332-R336 PolarHBondContact O-N 3.15Å
333	A	65.1	Low	57.6	Low	45 Å²	45	115.9 Å²	115.9	37%	0.372	57%	0.567	S	S	.	*	H	α-helix	trans	-69.3	-37.5	174	0	0	0	0	0	112.7	E329 R330 E331 R336 K337	E329-A333 VanDerWaalsContact O-CB 3.27Å; E329-A333 WeakPolarHBondContact O-CB 3.36Å; E329-A333 PolarHBondContact O-N 3.26Å; R330-A333 PolarHBondContact O-N 3.36Å; E331-A333 VanDerWaalsContact C-N 3.35Å; A333-R336 CarbonylContact O-C 3.59Å; A333-R336 PolarHBondContact O-N 2.96Å; A333-K337 PolarHBondContact O-N 3.28Å
334	K	55	Low	55.5	Low	143 Å²	143	118.7 Å²	118.7	62%	0.622	58%	0.58	S	S	*	*	H	α-helix	trans	-65.4	-43.3	173.6	-83.8	-172.4	173.1	-172.6	0	111.6	R330 E331 R336 K337 L338	R330-K334 WeakPolarHBondContact O-CB 3.42Å; R330-K334 WeakPolarHBondContact O-CG 3.48Å; R330-K334 PolarHBondContact O-N 3.33Å; E331-K334 PolarHBondContact O-N 3.2Å; K334-R336 PolarHBondContact O-N 3.17Å; K334-K337 PolarHBondContact O-N 2.91Å; K334-L338 HydrophobicContact CB-CD1 4.23Å; K334-L338 VanDerWaalsContact O-CD1 3.23Å; K334-L338 WeakPolarHBondContact O-CD1 3.45Å; K334-L338 PolarHBondContact O-N 2.83Å
335	R	52.5	Low	53.1	Low	188 Å²	188	126.8 Å²	126.8	71%	0.709	62%	0.618	S	S	*	*	H	α-helix	trans	-61.2	-24.6	172	-72.7	-177.2	-171.7	168.6	7.8	113.4	E331	E331-R335 WeakPolarHBondContact O-CG 3.35Å; E331-R335 PolarHBondContact O-N 3.31Å
336	R	52.2	Low	51.1	Low	209 Å²	209	128.5 Å²	128.5	79%	0.789	63%	0.633	S	S	*	*	H	α-helix	trans	-84.3	-26.7	172.1	-70.2	169.8	-180	175.7	-0.1	113.3	A332 A333 K334	A332-R336 VanDerWaalsContact O-CG 3.32Å; A332-R336 WeakPolarHBondContact O-CG 3.43Å; A332-R336 PolarHBondContact O-N 3.15Å; A333-R336 CarbonylContact O-C 3.59Å; A333-R336 PolarHBondContact O-N 2.96Å; K334-R336 PolarHBondContact O-N 3.17Å
337	K	51.3	Low	49.3	Very low	171 Å²	171	135.6 Å²	135.6	74%	0.743	66%	0.656	S	S	*	*	H	α-helix	trans	-88.8	-23.9	177.6	-78.5	-169	171.7	-168.4	0	114.7	A333 K334 N339	A333-K337 PolarHBondContact O-N 3.28Å; K334-K337 PolarHBondContact O-N 2.91Å; K337-N339 PolarHBondContact O-N 3.04Å
338	L	43.8	Very low	47.7	Very low	142 Å²	142	139 Å²	139	74%	0.743	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	4.8	179	-101.4	96.2	0	0	0	115	K334	K334-L338 HydrophobicContact CB-CD1 4.23Å; K334-L338 VanDerWaalsContact O-CD1 3.23Å; K334-L338 WeakPolarHBondContact O-CD1 3.45Å; K334-L338 PolarHBondContact O-N 2.83Å
339	N	41.1	Very low	46.1	Very low	137 Å²	137	140.9 Å²	140.9	73%	0.733	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111	21.5	-178.3	-75.7	-3.7	0	0	0	113.1	K337	K337-N339 PolarHBondContact O-N 3.04Å
340	L	37.6	Very low	44	Very low	148 Å²	148	147 Å²	147	78%	0.775	71%	0.711	S	S	*	*	S	Bend	trans	-144.9	117	-176.8	-130.6	77.5	0	0	0	113.5
341	V	37.9	Very low	42.3	Very low	118 Å²	118	147 Å²	147	72%	0.715	72%	0.718	S	S	*	*			trans	70.4	99.6	156.8	-157.4	0	0	0	0	120
342	D	32.1	Very low	41.3	Very low	136 Å²	136	151.6 Å²	151.6	73%	0.727	74%	0.74	S	S	*	*				36.5	138.7	116.3	-45	-33.7	0	0	0	123.7
343	D	33.6	Very low	40.2	Very low	147 Å²	147	156.4 Å²	156.4	79%	0.786	76%	0.758	S	S	*	*			trans	58.6	123.4	147.6	-56.6	-21.8	0	0	0	123.4
344	I	36.7	Very low	38.6	Very low	165 Å²	165	165 Å²	165	85%	0.846	78%	0.782	S	S	*	*				171.6	133.2	112.3	-83.3	156.2	0	0	0	109.6
345	E	33.2	Very low	37.5	Very low	183 Å²	183	162.6 Å²	162.6	86%	0.855	79%	0.79	S	S	*	*			trans	-90.7	156.4	173.8	-67.2	177.9	134.1	0	0	112.2
346	E	34.2	Very low	36.7	Very low	197 Å²	197	163.2 Å²	163.2	92%	0.921	80%	0.8	S	S	*	*			trans	-163.8	133.1	146.8	-112.3	166.4	-162.1	0	0	110.6
347	E	35.2	Very low	35.9	Very low	185 Å²	185	159.5 Å²	159.5	86%	0.864	80%	0.801	S	S	*	*			trans	-86.4	168.5	177.1	-68.2	-169.9	138.2	0	0	112.4
348	P	37	Very low	35	Very low	123 Å²	123	160.1 Å²	160.1	80%	0.799	81%	0.807	S	S	*	*				-146.8	120.5	113	32	-13.8	0	0	0	116.7
349	D	30.4	Very low	34.7	Very low	134 Å²	134	158.2 Å²	158.2	72%	0.717	80%	0.803	S	S	*	*				36.6	124.3	118.8	-151.5	3.8	0	0	0	122.1
350	W	29.3	Very low	34.7	Very low	226 Å²	226	157.4 Å²	157.4	86%	0.856	80%	0.802	S	S	*	*			trans	-167.5	106.6	131.4	54.7	-80.1	0	0	0	112.4
351	E	31.1	Very low	35	Very low	181 Å²	181	158.7 Å²	158.7	85%	0.846	80%	0.802	S	S	*	*			trans	-77.7	130.4	150.6	-66.7	-171.6	136.3	0	0	108.9
352	E	40	Very low	35.9	Very low	162 Å²	162	157.3 Å²	157.3	76%	0.757	79%	0.789	S	S	*	*			trans	-168.7	140.5	144.2	-112.5	-179.3	172.7	0	0	115.4
353	I	34.8	Very low	37.4	Very low	145 Å²	145	156.9 Å²	156.9	74%	0.744	78%	0.777	S	S	*	*			trans	78.2	121.4	151.7	-59.7	158.9	0	0	0	119.8
354	Y	31.4	Very low	39.2	Very low	224 Å²	224	155.1 Å²	155.1	88%	0.878	76%	0.762	S	S	*	*			trans	-86.7	163.4	167.7	-84.2	-105.6	0	0	0	112
355	A	32.4	Very low	41.2	Very low	94 Å²	94	147.2 Å²	147.2	78%	0.777	72%	0.722	S	S	*	*			trans	79.7	100	155.8	0	0	0	0	0	118.1
356	E	35.8	Very low	42.9	Very low	201 Å²	201	143.7 Å²	143.7	94%	0.939	72%	0.715	S	S	*	*			trans	-149.9	146.8	135.3	-113.3	164.9	-149.1	0	0	109.3
357	T	34.4	Very low	44.7	Very low	130 Å²	130	138.4 Å²	138.4	80%	0.798	69%	0.692	S	S	*	*			trans	-98	155.1	-176.5	42.4	0	0	0	0	111.8
358	E	32.7	Very low	47	Very low	185 Å²	185	132 Å²	132	86%	0.864	67%	0.667	S	S	*	*			trans	80.9	156.3	171.3	-49.7	-167.2	163.9	0	0	116.6
359	P	37.9	Very low	48.8	Very low	102 Å²	102	131.3 Å²	131.3	66%	0.662	66%	0.657	S	S	*	*			cis	-110.3	176.5	-5.2	38.7	-27.8	0	0	0	113.7	F361	P359-F361 PolarHBondContact O-N 3.46Å; P359-F361 VanDerWaalsContact O-N 3.11Å
360	V	40.9	Very low	51.2	Low	119 Å²	119	129.2 Å²	129.2	72%	0.721	65%	0.645	S	S	*	*			trans	-61	112.2	171.3	178	0	0	0	0	109.4	M362	V360-M362 VanDerWaalsContact C-N 3.31Å; V360-M362 PolarHBondContact O-N 2.88Å
361	F	44.4	Very low	53.4	Low	175 Å²	175	123.1 Å²	123.1	77%	0.768	63%	0.626	S	S	*	*			trans	-68.5	84	177.3	-108.7	-87.7	0	0	0	111.4	P359 R363	P359-F361 PolarHBondContact O-N 3.46Å; P359-F361 VanDerWaalsContact O-N 3.11Å; F361-R363 PolarHBondContact O-N 3.18Å
362	M	56	Low	55.4	Low	90 Å²	90	116 Å²	116	44%	0.443	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-65	123.3	164	-66.3	-143.3	-73.6	0	0	108.8	V360 E371	V360-M362 VanDerWaalsContact C-N 3.31Å; V360-M362 PolarHBondContact O-N 2.88Å; M362-E371 HydrophobicContact CB-CB 4.26Å; M362-E371 HydrophobicContact CE-CB 4.03Å; M362-E371 HydrophobicContact CE-CG 4.42Å; M362-E371 WeakPolarHBondContact CE-OE2 3.34Å; M362-E371 HydrophobicContact SD-CB 4.26Å
363	R	63.4	Low	56.8	Low	126 Å²	126	113.1 Å²	113.1	48%	0.475	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90	118.6	-178.4	-71.1	-170	171	-134.1	-11.4	109.2	F361 F372 N375	F361-R363 PolarHBondContact O-N 3.18Å; R363-F372 PolarHBondContact N-O 3.32Å; R363-F372 PolarHBondContact O-N 3.13Å; R363-N375 WeakPolarHBondContact CD-OD1 3.24Å; R363-N375 PolarHBondContact NE-OD1 2.92Å; R363-N375 PolarHBondContact NH1-ND2 2.83Å; R363-N375 PolarHBondContact NH1-OD1 3.18Å
364	K	72.6	Confident	58.4	Low	110 Å²	110	108.3 Å²	108.3	48%	0.478	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-73.2	139.5	173.3	-62	-171.2	-173.6	-138.9	0	109.8	L370 E371 N378	K364-L370 CarbonylContact C-O 3.31Å; K364-L370 VanDerWaalsContact CA-O 3.29Å; K364-L370 WeakPolarHBondContact CA-O 3.46Å; K364-E371 HydrophobicContact CD-CG 4.33Å; K364-E371 WeakPolarHBondContact CE-OE1 3.46Å; K364-E371 HydrophobicContact CG-CG 3.83Å; K364-E371 IonicContact NZ-OE1 2.64Å; K364-E371 PolarHBondContact NZ-OE1 3.42Å; K364-N378 PolarHBondContact O-ND2 2.84Å
365	C	79	Confident	60.1	Low	0 Å²	0	101.9 Å²	101.9	0%	0	55%	0.548	C	S	.	.	P	Polyproline II helix	trans	-63.9	126.8	163.6	173.3	0	0	0	0	108.4	I367 C368 N369 L370 F372 N378 H386	C365-I367 PolarHBondContact O-N 2.93Å; C365-C368 VanDerWaalsContact CB-SG 3.59Å; C365-N369 VanDerWaalsContact O-CA 3.25Å; C365-N369 WeakPolarHBondContact O-CA 3.49Å; C365-N369 PolarHBondContact O-N 3.15Å; C365-L370 PolarHBondContact N-O 3.3Å; C365-F372 HydrophobicContact CB-CD2 4.46Å; C365-F372 HydrophobicContact CB-CE2 3.93Å; C365-N378 WeakPolarHBondContact CA-OD1 3.46Å; C365-N378 WeakPolarHBondContact CB-OD1 3.25Å; C365-H386 VanDerWaalsContact SG-CD2 3.58Å
366	P	67.7	Low	61.7	Low	109 Å²	109	102.7 Å²	102.7	71%	0.708	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-2.8	-176.9	27.1	-34.7	0	0	0	114.4
367	I	72.7	Confident	63.6	Low	86 Å²	86	95.5 Å²	95.5	44%	0.441	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-38.3	-174.8	-59.9	171.3	0	0	0	112.2	C365 H386 T388	C365-I367 PolarHBondContact O-N 2.93Å; I367-H386 HydrophobicContact CB-CB 4.35Å; I367-H386 HydrophobicContact CD1-CB 3.68Å; I367-H386 HydrophobicContact CG2-CB 4.28Å; I367-H386 WeakPolarHBondContact CG2-ND1 3.37Å; I367-T388 HydrophobicContact CD1-CG2 3.25Å
368	C	82.6	Confident	65.7	Low	50 Å²	50	90.1 Å²	90.1	34%	0.338	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-2.9	177.9	70.6	0	0	0	0	115.3	C365 L370 H381 H386	C365-C368 VanDerWaalsContact CB-SG 3.59Å; C368-L370 PolarHBondContact O-N 3.4Å; C368-L370 PolarHBondContact SG-N 3.19Å; C368-L370 VanDerWaalsContact SG-N 3.44Å; C368-H381 PolarHBondContact SG-NE2 3.31Å; C368-H386 PolarHBondContact SG-NE2 2.9Å
369	N	75.4	Confident	67.4	Low	108 Å²	108	84.8 Å²	84.8	58%	0.578	46%	0.459	S	S	*	.			trans	61.4	9.9	-175.5	-64.7	-57.1	0	0	0	117.3	C365 E371	C365-N369 VanDerWaalsContact O-CA 3.25Å; C365-N369 WeakPolarHBondContact O-CA 3.49Å; C365-N369 PolarHBondContact O-N 3.15Å; N369-E371 PolarHBondContact O-N 2.85Å
370	L	81.4	Confident	69.3	Low	91 Å²	91	83 Å²	83	48%	0.476	45%	0.446	S	S	.	.			trans	-58.3	136.9	171	-76.9	170.3	0	0	0	111.2	K364 C365 C368 F372	K364-L370 CarbonylContact C-O 3.31Å; K364-L370 VanDerWaalsContact CA-O 3.29Å; K364-L370 WeakPolarHBondContact CA-O 3.46Å; C365-L370 PolarHBondContact N-O 3.3Å; C368-L370 PolarHBondContact O-N 3.4Å; C368-L370 PolarHBondContact SG-N 3.19Å; C368-L370 VanDerWaalsContact SG-N 3.44Å; L370-F372 HydrophobicContact CB-CE2 3.61Å; L370-F372 HydrophobicContact CB-CZ 3.81Å; L370-F372 VanDerWaalsContact O-CD2 3.23Å; L370-F372 WeakPolarHBondContact O-CD2 3.48Å; L370-F372 VanDerWaalsContact O-CE2 3.27Å; L370-F372 WeakPolarHBondContact O-CE2 3.29Å
371	E	74.6	Confident	71.1	Confident	98 Å²	98	78.1 Å²	78.1	46%	0.458	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	123.9	-173	-75.2	174.4	171.8	0	0	111.6	M362 K364 N369	M362-E371 HydrophobicContact CB-CB 4.26Å; M362-E371 HydrophobicContact CE-CB 4.03Å; M362-E371 HydrophobicContact CE-CG 4.42Å; M362-E371 WeakPolarHBondContact CE-OE2 3.34Å; M362-E371 HydrophobicContact SD-CB 4.26Å; K364-E371 HydrophobicContact CD-CG 4.33Å; K364-E371 WeakPolarHBondContact CE-OE1 3.46Å; K364-E371 HydrophobicContact CG-CG 3.83Å; K364-E371 IonicContact NZ-OE1 2.64Å; K364-E371 PolarHBondContact NZ-OE1 3.42Å; N369-E371 PolarHBondContact O-N 2.85Å
372	F	74.3	Confident	72.5	Confident	31 Å²	31	70.3 Å²	70.3	14%	0.136	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	140.1	-177.7	-64.7	-79.6	0	0	0	112.5	R363 C365 L370 S374 P377 N378 H381	R363-F372 PolarHBondContact N-O 3.32Å; R363-F372 PolarHBondContact O-N 3.13Å; C365-F372 HydrophobicContact CB-CD2 4.46Å; C365-F372 HydrophobicContact CB-CE2 3.93Å; L370-F372 HydrophobicContact CB-CE2 3.61Å; L370-F372 HydrophobicContact CB-CZ 3.81Å; L370-F372 VanDerWaalsContact O-CD2 3.23Å; L370-F372 WeakPolarHBondContact O-CD2 3.48Å; L370-F372 VanDerWaalsContact O-CE2 3.27Å; L370-F372 WeakPolarHBondContact O-CE2 3.29Å; F372-S374 PolarHBondContact O-N 3.35Å; F372-P377 HydrophobicContact CB-CB 4.35Å; F372-P377 HydrophobicContact CD1-CB 3.71Å; F372-P377 HydrophobicContact CG-CB 4.36Å; F372-N378 HydrophobicContact CB-CB 3.88Å; F372-N378 HydrophobicContact CD2-CB 3.89Å; F372-N378 WeakPolarHBondContact CD2-OD1 3.43Å; F372-N378 HydrophobicContact CG-CB 3.97Å; F372-H381 HydrophobicContact CE1-CB 3.86Å; F372-H381 HydrophobicContact CE2-CB 4.14Å; F372-H381 AromaticContact CE2-CD2 3.34Å; F372-H381 WeakPolarHBondContact CE2-CD2 3.39Å; F372-H381 AromaticContact CE2-CG 3.8Å; F372-H381 AromaticContact CE2-NE2 3.97Å; F372-H381 HydrophobicContact CZ-CB 3.51Å; F372-H381 AromaticContact CZ-CD2 3.29Å; F372-H381 WeakPolarHBondContact CZ-CD2 3.45Å; F372-H381 AromaticContact CZ-CG 3.25Å; F372-H381 AromaticContact CZ-ND1 3.84Å; F372-H381 AromaticContact CZ-NE2 3.88Å
373	P	68.5	Low	73.2	Confident	101 Å²	101	71.1 Å²	71.1	66%	0.656	39%	0.385	S	S	*	.	S	Bend	trans	-73.7	-9.4	-177.7	29.3	-35.7	0	0	0	114.2
374	S	67.6	Low	73.9	Confident	44 Å²	44	72.5 Å²	72.5	31%	0.308	40%	0.397	S	S	.	.	S	Bend	trans	-160.9	174.8	170.8	66.9	0	0	0	0	112.2	F372 L376 P377 N378	F372-S374 PolarHBondContact O-N 3.35Å; S374-L376 VanDerWaalsContact C-N 3.29Å; S374-L376 PolarHBondContact O-N 2.68Å; S374-P377 WeakPolarHBondContact O-CD 3.43Å; S374-P377 WeakPolarHBondContact OG-CD 3.32Å; S374-N378 PolarHBondContact O-N 3.5Å
375	N	67.1	Low	74	Confident	89 Å²	89	73.8 Å²	73.8	48%	0.476	41%	0.405	S	S	.	.	H	α-helix	trans	-61.8	-29.9	176.9	-87.7	-22.4	0	0	0	114.1	R363 N378 S379	R363-N375 WeakPolarHBondContact CD-OD1 3.24Å; R363-N375 PolarHBondContact NE-OD1 2.92Å; R363-N375 PolarHBondContact NH1-ND2 2.83Å; R363-N375 PolarHBondContact NH1-OD1 3.18Å; N375-N378 PolarHBondContact O-N 3.09Å; N375-S379 WeakPolarHBondContact O-CB 3.21Å; N375-S379 PolarHBondContact O-N 3.29Å
376	L	67.3	Low	73.8	Confident	112 Å²	112	76 Å²	76	59%	0.586	42%	0.415	S	S	*	.	H	α-helix	trans	-71.7	-49.5	-172.4	-170.1	71.8	0	0	0	111.7	S374 N378 S379 V380	S374-L376 VanDerWaalsContact C-N 3.29Å; S374-L376 PolarHBondContact O-N 2.68Å; L376-N378 VanDerWaalsContact C-N 3.34Å; L376-N378 PolarHBondContact O-N 3.43Å; L376-S379 PolarHBondContact O-N 2.39Å; L376-V380 WeakPolarHBondContact O-CG2 3.49Å; L376-V380 PolarHBondContact O-N 2.76Å
377	P	75.9	Confident	73.2	Confident	49 Å²	49	76.8 Å²	76.8	32%	0.318	41%	0.413	S	S	.	.	H	α-helix	trans	-59.9	-40	169.5	-24.5	35.7	0	0	0	113.1	F372 S374 S379 V380 H381	F372-P377 HydrophobicContact CB-CB 4.35Å; F372-P377 HydrophobicContact CD1-CB 3.71Å; F372-P377 HydrophobicContact CG-CB 4.36Å; S374-P377 WeakPolarHBondContact O-CD 3.43Å; S374-P377 WeakPolarHBondContact OG-CD 3.32Å; P377-S379 VanDerWaalsContact C-N 3.34Å; P377-S379 PolarHBondContact O-N 3.09Å; P377-V380 PolarHBondContact O-N 3.09Å; P377-H381 VanDerWaalsContact O-CB 3.24Å; P377-H381 WeakPolarHBondContact O-CB 3.3Å; P377-H381 PolarHBondContact O-N 3.2Å
378	N	77.8	Confident	72.3	Confident	17 Å²	17	74.7 Å²	74.7	9%	0.091	40%	0.404	C	S	.	.	H	α-helix	trans	-61.4	-42.3	177.3	-165.5	13.4	0	0	0	111.7	K364 C365 F372 S374 N375 L376 A382	K364-N378 PolarHBondContact O-ND2 2.84Å; C365-N378 WeakPolarHBondContact CA-OD1 3.46Å; C365-N378 WeakPolarHBondContact CB-OD1 3.25Å; F372-N378 HydrophobicContact CB-CB 3.88Å; F372-N378 HydrophobicContact CD2-CB 3.89Å; F372-N378 WeakPolarHBondContact CD2-OD1 3.43Å; F372-N378 HydrophobicContact CG-CB 3.97Å; S374-N378 PolarHBondContact O-N 3.5Å; N375-N378 PolarHBondContact O-N 3.09Å; L376-N378 VanDerWaalsContact C-N 3.34Å; L376-N378 PolarHBondContact O-N 3.43Å; N378-A382 WeakPolarHBondContact O-CB 3.29Å; N378-A382 PolarHBondContact O-N 3.1Å
379	S	69.4	Low	70.4	Confident	74 Å²	74	77.9 Å²	77.9	52%	0.517	42%	0.418	S	S	.	.	H	α-helix	trans	-73.1	-34.8	178.7	-176	0	0	0	0	113.1	N375 L376 P377 H383	N375-S379 WeakPolarHBondContact O-CB 3.21Å; N375-S379 PolarHBondContact O-N 3.29Å; L376-S379 PolarHBondContact O-N 2.39Å; P377-S379 VanDerWaalsContact C-N 3.34Å; P377-S379 PolarHBondContact O-N 3.09Å; S379-H383 WeakPolarHBondContact O-CB 3.5Å; S379-H383 PolarHBondContact O-N 3.43Å
380	V	76.3	Confident	69.1	Low	64 Å²	64	79.7 Å²	79.7	39%	0.388	42%	0.421	S	S	.	.	H	α-helix	trans	-66.8	-49.6	173.6	169.9	0	0	0	0	109.3	L376 P377 A382 H383 E384	L376-V380 WeakPolarHBondContact O-CG2 3.49Å; L376-V380 PolarHBondContact O-N 2.76Å; P377-V380 PolarHBondContact O-N 3.09Å; V380-A382 PolarHBondContact O-N 3.28Å; V380-H383 CarbonylContact O-C 3.59Å; V380-H383 PolarHBondContact O-N 3.18Å; V380-E384 VanDerWaalsContact CG1-CD 3.45Å; V380-E384 HydrophobicContact CG1-CG 4.14Å; V380-E384 WeakPolarHBondContact CG1-OE2 3.12Å; V380-E384 WeakPolarHBondContact O-CB 3.4Å; V380-E384 WeakPolarHBondContact O-CG 3.45Å; V380-E384 PolarHBondContact O-N 2.76Å
381	H	78.9	Confident	66.9	Low	17 Å²	17	80.2 Å²	80.2	8%	0.079	43%	0.428	C	S	.	.	H	α-helix	trans	-59.6	-40.9	174.8	168.3	73.5	0	0	0	113.1	C368 F372 P377 H383 E384 E385 H386	C368-H381 PolarHBondContact SG-NE2 3.31Å; F372-H381 HydrophobicContact CE1-CB 3.86Å; F372-H381 HydrophobicContact CE2-CB 4.14Å; F372-H381 AromaticContact CE2-CD2 3.34Å; F372-H381 WeakPolarHBondContact CE2-CD2 3.39Å; F372-H381 AromaticContact CE2-CG 3.8Å; F372-H381 AromaticContact CE2-NE2 3.97Å; F372-H381 HydrophobicContact CZ-CB 3.51Å; F372-H381 AromaticContact CZ-CD2 3.29Å; F372-H381 WeakPolarHBondContact CZ-CD2 3.45Å; F372-H381 AromaticContact CZ-CG 3.25Å; F372-H381 AromaticContact CZ-ND1 3.84Å; F372-H381 AromaticContact CZ-NE2 3.88Å; P377-H381 VanDerWaalsContact O-CB 3.24Å; P377-H381 WeakPolarHBondContact O-CB 3.3Å; P377-H381 PolarHBondContact O-N 3.2Å; H381-H383 VanDerWaalsContact C-N 3.28Å; H381-H383 PolarHBondContact O-N 3.11Å; H381-E384 PolarHBondContact O-N 2.9Å; H381-E385 IonicContact CE1-OE2 3.98Å; H381-E385 PolarHBondContact CE1-OE2 3.07Å; H381-E385 IonicContact ND1-OE2 3.33Å; H381-E385 PolarHBondContact ND1-OE2 2.77Å; H381-E385 PolarHBondContact O-N 2.88Å; H381-H386 AromaticContact CD2-CD2 3.8Å; H381-H386 AromaticContact CD2-NE2 3.83Å; H381-H386 AromaticContact CE1-CD2 3.84Å; H381-H386 AromaticContact CE1-NE2 3.27Å; H381-H386 PolarHBondContact CE1-NE2 3.25Å; H381-H386 VanDerWaalsContact CE1-NE2 3.27Å; H381-H386 AromaticContact NE2-CD2 3.36Å; H381-H386 PolarHBondContact NE2-CD2 3.04Å; H381-H386 AromaticContact NE2-NE2 2.92Å; H381-H386 PolarHBondContact NE2-NE2 3.35Å
382	A	73.3	Confident	65	Low	11 Å²	11	85.5 Å²	85.5	9%	0.091	45%	0.452	C	S	.	.	H	α-helix	trans	-63.6	-33.3	174.3	0	0	0	0	0	112.5	N378 V380 H386 D387 T388	N378-A382 WeakPolarHBondContact O-CB 3.29Å; N378-A382 PolarHBondContact O-N 3.1Å; V380-A382 PolarHBondContact O-N 3.28Å; A382-H386 CarbonylContact O-C 3.51Å; A382-H386 VanDerWaalsContact O-C 3.32Å; A382-H386 WeakPolarHBondContact O-CA 3.25Å; A382-H386 WeakPolarHBondContact O-CB 3.18Å; A382-H386 PolarHBondContact O-N 3.4Å; A382-D387 PolarHBondContact O-N 3.5Å; A382-D387 VanDerWaalsContact O-N 3.17Å; A382-T388 HydrophobicContact CB-CG2 4.07Å; A382-T388 WeakPolarHBondContact CB-OG1 3.33Å; A382-T388 WeakPolarHBondContact O-CG2 3.45Å; A382-T388 PolarHBondContact O-N 3.13Å; A382-T388 VanDerWaalsContact O-N 3.09Å; A382-T388 PolarHBondContact O-OG1 3.02Å; A382-T388 VanDerWaalsContact O-OG1 3.12Å
383	H	72	Confident	63.2	Low	107 Å²	107	86.9 Å²	86.9	50%	0.495	48%	0.476	S	S	.	.	H	α-helix	trans	-81.5	-31.3	176.2	-165.9	-62.9	0	0	0	113.4	S379 V380 H381	S379-H383 WeakPolarHBondContact O-CB 3.5Å; S379-H383 PolarHBondContact O-N 3.43Å; V380-H383 CarbonylContact O-C 3.59Å; V380-H383 PolarHBondContact O-N 3.18Å; H381-H383 VanDerWaalsContact C-N 3.28Å; H381-H383 PolarHBondContact O-N 3.11Å
384	E	77.2	Confident	61.4	Low	154 Å²	154	86.8 Å²	86.8	72%	0.72	48%	0.483	S	S	*	.	H	α-helix	trans	-88	-38.8	-176.9	-72.2	180	167.7	0	0	113	V380 H381	V380-E384 VanDerWaalsContact CG1-CD 3.45Å; V380-E384 HydrophobicContact CG1-CG 4.14Å; V380-E384 WeakPolarHBondContact CG1-OE2 3.12Å; V380-E384 WeakPolarHBondContact O-CB 3.4Å; V380-E384 WeakPolarHBondContact O-CG 3.45Å; V380-E384 PolarHBondContact O-N 2.76Å; H381-E384 PolarHBondContact O-N 2.9Å
385	E	75.9	Confident	59.9	Low	137 Å²	137	91.3 Å²	91.3	64%	0.64	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	-22	-176.4	-60.8	-151.9	159.4	0	0	114.6	H381	H381-E385 IonicContact CE1-OE2 3.98Å; H381-E385 PolarHBondContact CE1-OE2 3.07Å; H381-E385 IonicContact ND1-OE2 3.33Å; H381-E385 PolarHBondContact ND1-OE2 2.77Å; H381-E385 PolarHBondContact O-N 2.88Å
386	H	73.8	Confident	58.1	Low	47 Å²	47	92.5 Å²	92.5	22%	0.218	52%	0.524	C	S	.	.	S	Bend	trans	-117.2	4.2	-175.1	-58.4	-66.6	0	0	0	114.6	C365 I367 C368 H381 A382 T388	C365-H386 VanDerWaalsContact SG-CD2 3.58Å; I367-H386 HydrophobicContact CB-CB 4.35Å; I367-H386 HydrophobicContact CD1-CB 3.68Å; I367-H386 HydrophobicContact CG2-CB 4.28Å; I367-H386 WeakPolarHBondContact CG2-ND1 3.37Å; C368-H386 PolarHBondContact SG-NE2 2.9Å; H381-H386 AromaticContact CD2-CD2 3.8Å; H381-H386 AromaticContact CD2-NE2 3.83Å; H381-H386 AromaticContact CE1-CD2 3.84Å; H381-H386 AromaticContact CE1-NE2 3.27Å; H381-H386 PolarHBondContact CE1-NE2 3.25Å; H381-H386 VanDerWaalsContact CE1-NE2 3.27Å; H381-H386 AromaticContact NE2-CD2 3.36Å; H381-H386 PolarHBondContact NE2-CD2 3.04Å; H381-H386 AromaticContact NE2-NE2 2.92Å; H381-H386 PolarHBondContact NE2-NE2 3.35Å; A382-H386 CarbonylContact O-C 3.51Å; A382-H386 VanDerWaalsContact O-C 3.32Å; A382-H386 WeakPolarHBondContact O-CA 3.25Å; A382-H386 WeakPolarHBondContact O-CB 3.18Å; A382-H386 PolarHBondContact O-N 3.4Å; H386-T388 HydrophobicContact CB-CG2 3.7Å; H386-T388 PolarHBondContact O-N 3.11Å
387	D	56	Low	56.7	Low	126 Å²	126	92.8 Å²	92.8	67%	0.674	53%	0.532	S	S	*	.			trans	44.5	41	178.8	-159.4	5.6	0	0	0	113	A382 N389	A382-D387 PolarHBondContact O-N 3.5Å; A382-D387 VanDerWaalsContact O-N 3.17Å; D387-N389 VanDerWaalsContact C-N 3.27Å; D387-N389 PolarHBondContact O-N 3.08Å
388	T	52.1	Low	54.6	Low	41 Å²	41	99.3 Å²	99.3	25%	0.252	56%	0.561	S	S	.	*			trans	-77.7	68.5	-168.7	62.5	0	0	0	0	114.1	I367 A382 H386 K390	I367-T388 HydrophobicContact CD1-CG2 3.25Å; A382-T388 HydrophobicContact CB-CG2 4.07Å; A382-T388 WeakPolarHBondContact CB-OG1 3.33Å; A382-T388 WeakPolarHBondContact O-CG2 3.45Å; A382-T388 PolarHBondContact O-N 3.13Å; A382-T388 VanDerWaalsContact O-N 3.09Å; A382-T388 PolarHBondContact O-OG1 3.02Å; A382-T388 VanDerWaalsContact O-OG1 3.12Å; H386-T388 HydrophobicContact CB-CG2 3.7Å; H386-T388 PolarHBondContact O-N 3.11Å; T388-K390 VanDerWaalsContact C-N 3.32Å
389	N	44.6	Very low	52.5	Low	118 Å²	118	108.2 Å²	108.2	63%	0.631	60%	0.599	S	S	*	*	S	Bend	trans	-95	19.7	161.4	-81.3	-69.2	0	0	0	112.5	D387	D387-N389 VanDerWaalsContact C-N 3.27Å; D387-N389 PolarHBondContact O-N 3.08Å
390	K	46.6	Very low	51	Low	146 Å²	146	109.9 Å²	109.9	64%	0.635	61%	0.608	S	S	*	*	S	Bend	trans	-139.9	5.5	-174.8	-81.1	-176	-179.1	163.1	0	117.7	T388	T388-K390 VanDerWaalsContact C-N 3.32Å
391	V	35.3	Very low	49.2	Very low	101 Å²	101	112.4 Å²	112.4	61%	0.612	63%	0.626	S	S	*	*			trans	-131.1	67.6	179.8	-161.7	0	0	0	0	112.4
392	E	35.5	Very low	47.1	Very low	209 Å²	209	118.3 Å²	118.3	98%	0.977	66%	0.662	S	S	*	*			trans	-113.3	71	154.8	-76.3	-160.2	149.2	0	0	109.6
393	G	35.7	Very low	45.5	Very low	61 Å²	61	125.7 Å²	125.7	63%	0.629	70%	0.695	S	S	*	*			trans	-114.6	133.5	158.7	0	0	0	0	0	108.9
394	A	31.4	Very low	44	Very low	98 Å²	98	128 Å²	128	81%	0.81	71%	0.71	S	S	*	*	S	Bend	trans	72.5	67.7	171.5	0	0	0	0	0	119.1
395	V	35.4	Very low	42.3	Very low	140 Å²	140	123.9 Å²	123.9	85%	0.848	70%	0.695	S	S	*	*				-140.5	103.3	127.2	-173.5	0	0	0	0	109.5
396	S	29.4	Very low	40.9	Very low	114 Å²	114	121.5 Å²	121.5	80%	0.797	69%	0.69	S	S	*	*			trans	-87.6	137.6	169	-67.6	0	0	0	0	110.7
397	P	38.5	Very low	40	Very low	117 Å²	117	125 Å²	125	76%	0.76	70%	0.702	S	S	*	*			trans	-109.9	131.4	141.3	-6.3	25.9	0	0	0	110.1
398	M	31.1	Very low	40.6	Very low	187 Å²	187	124 Å²	124	92%	0.921	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-62.6	142.1	177.1	-63	171.6	89.4	0	0	110.7
399	K	35.3	Very low	41.8	Very low	204 Å²	204	126.8 Å²	126.8	89%	0.887	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-89.9	120.6	174.9	-140.8	179.9	-172.6	-176.9	0	108.1
400	P	37.6	Very low	43.6	Very low	109 Å²	109	128.4 Å²	128.4	71%	0.708	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-68.6	154	177.5	26	-30.6	0	0	0	111
401	P	38.6	Very low	45.3	Very low	116 Å²	116	121.8 Å²	121.8	75%	0.753	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-65.1	155.5	176.7	28.5	-34.6	0	0	0	111.4	Q403	P401-Q403 PolarHBondContact O-N 3.03Å
402	V	34.5	Very low	47.3	Very low	141 Å²	141	122.2 Å²	122.2	86%	0.855	68%	0.681	S	S	*	*			trans	-72.6	98.9	-178.2	179.8	0	0	0	0	109.7	I404	V402-I404 PolarHBondContact O-N 2.97Å
403	Q	39.6	Very low	49.2	Very low	166 Å²	166	118.1 Å²	118.1	78%	0.776	67%	0.665	S	S	*	*			trans	-69	127.6	163	-76.8	-176.7	-18.6	0	0	109.6	P401 V405	P401-Q403 PolarHBondContact O-N 3.03Å; Q403-V405 PolarHBondContact O-N 3.09Å
404	I	39.8	Very low	51.2	Low	157 Å²	157	117.9 Å²	117.9	81%	0.805	65%	0.653	S	S	*	*			trans	-71.9	96.8	170.3	-59.7	172.6	0	0	0	107	V402 T406	V402-I404 PolarHBondContact O-N 2.97Å; I404-T406 PolarHBondContact O-N 2.81Å
405	V	40.8	Very low	53.4	Low	66 Å²	66	115.8 Å²	115.8	40%	0.4	64%	0.641	S	S	.	*			trans	-73.8	107.4	179.1	-179.5	0	0	0	0	109.4	Q403 Y407	Q403-V405 PolarHBondContact O-N 3.09Å; V405-Y407 HydrophobicContact CB-CE2 4.3Å; V405-Y407 HydrophobicContact CG1-CD1 4.46Å; V405-Y407 HydrophobicContact CG1-CD2 4.42Å; V405-Y407 HydrophobicContact CG1-CE1 4.23Å; V405-Y407 HydrophobicContact CG1-CE2 4.19Å; V405-Y407 VanDerWaalsContact O-CD2 3.3Å; V405-Y407 WeakPolarHBondContact O-CD2 3.37Å
406	T	47.7	Very low	55.4	Low	88 Å²	88	114.9 Å²	114.9	54%	0.54	63%	0.625	S	S	.	*			trans	-72	125.1	165.5	57.1	0	0	0	0	109	I404 D408	I404-T406 PolarHBondContact O-N 2.81Å; T406-D408 WeakPolarHBondContact CB-OD1 3.46Å; T406-D408 WeakPolarHBondContact CB-OD2 3.44Å; T406-D408 PolarHBondContact O-N 2.91Å; T406-D408 PolarHBondContact OG1-OD2 3.38Å
407	Y	55.2	Low	57.8	Low	120 Å²	120	117 Å²	117	47%	0.471	62%	0.616	S	S	.	*			trans	-95.5	68.1	-176.7	-74.6	-84.8	0	0	0	110.2	V405 R417	V405-Y407 HydrophobicContact CB-CE2 4.3Å; V405-Y407 HydrophobicContact CG1-CD1 4.46Å; V405-Y407 HydrophobicContact CG1-CD2 4.42Å; V405-Y407 HydrophobicContact CG1-CE1 4.23Å; V405-Y407 HydrophobicContact CG1-CE2 4.19Å; V405-Y407 VanDerWaalsContact O-CD2 3.3Å; V405-Y407 WeakPolarHBondContact O-CD2 3.37Å; Y407-R417 HydrophobicContact CD1-CB 4.27Å; Y407-R417 HydrophobicContact CG-CB 4.5Å; Y407-R417 PolarHBondContact O-NE 3.15Å; Y407-R417 VanDerWaalsContact O-NE 3.11Å; Y407-R417 PolarHBondContact O-NH2 3.19Å
408	D	67.4	Low	59.8	Low	104 Å²	104	113.7 Å²	113.7	56%	0.556	59%	0.589	S	S	*	*			trans	-82.2	-18	-166.2	-55.9	-38.9	0	0	0	113.7	T406	T406-D408 WeakPolarHBondContact CB-OD1 3.46Å; T406-D408 WeakPolarHBondContact CB-OD2 3.44Å; T406-D408 PolarHBondContact O-N 2.91Å; T406-D408 PolarHBondContact OG1-OD2 3.38Å
409	Y	78.5	Confident	61.9	Low	101 Å²	101	107.8 Å²	107.8	40%	0.396	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.8	126.8	178.6	-56.4	-79	0	0	0	110.6	R417 Y418 L421	Y409-R417 CarbonylContact O-C 3.32Å; Y409-R417 WeakPolarHBondContact O-CA 3.22Å; Y409-Y418 PolarHBondContact O-N 3.46Å; Y409-L421 HydrophobicContact CD1-CB 4.05Å; Y409-L421 HydrophobicContact CD1-CD1 3.76Å; Y409-L421 HydrophobicContact CD1-CG 4.48Å; Y409-L421 HydrophobicContact CE1-CB 3.88Å; Y409-L421 HydrophobicContact CE1-CD1 4.01Å; Y409-L421 HydrophobicContact CE1-CG 4.39Å; Y409-L421 HydrophobicContact CG-CB 4.44Å
410	Y	82.2	Confident	64	Low	152 Å²	152	104.7 Å²	104.7	60%	0.596	55%	0.552	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-134.2	150.8	175.8	68.3	-85.7	0	0	0	111.9	S412 K416 L424	Y410-S412 PolarHBondContact O-N 3.17Å; Y410-K416 CarbonylContact C-O 3.56Å; Y410-K416 WeakPolarHBondContact CA-O 3.46Å; Y410-L424 WeakPolarHBondContact O-CD2 3.44Å
411	C	82.4	Confident	66.1	Low	7 Å²	7	103.5 Å²	103.5	5%	0.047	54%	0.54	C	S	.	.			trans	-82.9	116.1	175.7	-174.4	0	0	0	0	111.1	L413 C414 G415 K416 L424 H427 H431	C411-L413 PolarHBondContact O-N 3.36Å; C411-L413 VanDerWaalsContact O-N 3.17Å; C411-L413 PolarHBondContact SG-N 3.41Å; C411-C414 PolarHBondContact O-N 3.44Å; C411-G415 WeakPolarHBondContact O-CA 3.28Å; C411-G415 PolarHBondContact O-N 3.25Å; C411-K416 PolarHBondContact N-O 2.89Å; C411-L424 HydrophobicContact CB-CD1 3.69Å; C411-H427 VanDerWaalsContact CB-CD2 3.49Å; C411-H427 WeakPolarHBondContact CB-CD2 3.34Å; C411-H427 WeakPolarHBondContact CB-NE2 3.15Å; C411-H427 VanDerWaalsContact SG-CD2 3.54Å; C411-H427 PolarHBondContact SG-NE2 3.43Å; C411-H431 PolarHBondContact SG-NE2 2.98Å
412	S	75.7	Confident	68.2	Low	110 Å²	110	104.3 Å²	104.3	77%	0.769	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.3	174.4	50.3	0	0	0	0	114.3	Y410	Y410-S412 PolarHBondContact O-N 3.17Å
413	L	75.7	Confident	70.2	Confident	123 Å²	123	102 Å²	102	64%	0.644	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-15	-178.3	-63.8	175.5	0	0	0	114.7	C411 H431	C411-L413 PolarHBondContact O-N 3.36Å; C411-L413 VanDerWaalsContact O-N 3.17Å; C411-L413 PolarHBondContact SG-N 3.41Å; L413-H431 HydrophobicContact CD1-CB 3.55Å
414	C	79.3	Confident	72.3	Confident	56 Å²	56	95.6 Å²	95.6	38%	0.378	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.8	12.5	178.1	76.8	0	0	0	0	116.2	C411 K416 H427	C411-C414 PolarHBondContact O-N 3.44Å; C414-K416 PolarHBondContact O-N 2.93Å; C414-H427 PolarHBondContact SG-CE1 3.46Å; C414-H427 PolarHBondContact SG-NE2 3.2Å
415	G	76.9	Confident	74.2	Confident	53 Å²	53	93.2 Å²	93.2	55%	0.546	47%	0.471	S	S	.	.			trans	69.8	-7	175.1	0	0	0	0	0	116.5	C411 R417	C411-G415 WeakPolarHBondContact O-CA 3.28Å; C411-G415 PolarHBondContact O-N 3.25Å; G415-R417 PolarHBondContact O-N 3.44Å
416	K	77.3	Confident	75.8	Confident	121 Å²	121	95.9 Å²	95.9	53%	0.526	48%	0.477	S	S	.	.			trans	-62.6	125.9	-178.5	-70	-179	-176	-177.7	0	111.1	Y410 C411 C414 Y418	Y410-K416 CarbonylContact C-O 3.56Å; Y410-K416 WeakPolarHBondContact CA-O 3.46Å; C411-K416 PolarHBondContact N-O 2.89Å; C414-K416 PolarHBondContact O-N 2.93Å; K416-Y418 HydrophobicContact CB-CE2 3.67Å; K416-Y418 WeakPolarHBondContact CB-OH 3.38Å; K416-Y418 WeakPolarHBondContact O-CD2 3.45Å; K416-Y418 VanDerWaalsContact O-CE2 3.26Å; K416-Y418 WeakPolarHBondContact O-CE2 3.32Å
417	R	78.8	Confident	77.2	Confident	159 Å²	159	92.9 Å²	92.9	60%	0.6	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	146.2	178.2	-53	-177.8	72.1	160.6	0.6	110.8	Y407 Y409 G415	Y407-R417 HydrophobicContact CD1-CB 4.27Å; Y407-R417 HydrophobicContact CG-CB 4.5Å; Y407-R417 PolarHBondContact O-NE 3.15Å; Y407-R417 VanDerWaalsContact O-NE 3.11Å; Y407-R417 PolarHBondContact O-NH2 3.19Å; Y409-R417 CarbonylContact O-C 3.32Å; Y409-R417 WeakPolarHBondContact O-CA 3.22Å; G415-R417 PolarHBondContact O-N 3.44Å
418	Y	81.4	Confident	77.9	Confident	47 Å²	47	89.4 Å²	89.4	18%	0.184	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	145.8	-174.4	-64.4	-80.2	0	0	0	110	Y409 K416 M423 L424 H427	Y409-Y418 PolarHBondContact O-N 3.46Å; K416-Y418 HydrophobicContact CB-CE2 3.67Å; K416-Y418 WeakPolarHBondContact CB-OH 3.38Å; K416-Y418 WeakPolarHBondContact O-CD2 3.45Å; K416-Y418 VanDerWaalsContact O-CE2 3.26Å; K416-Y418 WeakPolarHBondContact O-CE2 3.32Å; Y418-M423 HydrophobicContact CD1-CB 3.84Å; Y418-M423 HydrophobicContact CG-CB 4.32Å; Y418-L424 HydrophobicContact CD2-CB 4.01Å; Y418-L424 HydrophobicContact CD2-CD1 3.93Å; Y418-L424 HydrophobicContact CE2-CD1 4.14Å; Y418-L424 HydrophobicContact CG-CB 4.35Å; Y418-H427 HydrophobicContact CE1-CB 4.25Å; Y418-H427 HydrophobicContact CE2-CB 3.93Å; Y418-H427 AromaticContact CE2-CD2 3.67Å; Y418-H427 AromaticContact CE2-CG 3.78Å; Y418-H427 AromaticContact CZ-CD2 3.92Å; Y418-H427 AromaticContact CZ-CG 3.57Å; Y418-H427 PolarHBondContact OH-ND1 3.24Å
419	S	75	Confident	77.9	Confident	64 Å²	64	88.5 Å²	88.5	45%	0.448	44%	0.444	S	S	.	.	S	Bend	trans	-83.5	-11.7	179.7	52.7	0	0	0	0	114.4
420	K	79.7	Confident	77.1	Confident	138 Å²	138	85.7 Å²	85.7	60%	0.6	44%	0.442	S	S	*	.	S	Bend	trans	-143.4	140.4	179.3	-62.1	-170.7	178.3	-169.8	0	110.6	Q422 M423 L424	K420-Q422 VanDerWaalsContact C-N 3.31Å; K420-Q422 PolarHBondContact O-N 2.95Å; K420-M423 WeakPolarHBondContact O-CB 3.46Å; K420-M423 PolarHBondContact O-N 3.18Å; K420-L424 PolarHBondContact O-N 3.43Å
421	L	82.5	Confident	76.4	Confident	85 Å²	85	81.8 Å²	81.8	45%	0.445	43%	0.429	S	S	.	.	H	α-helix	trans	-55.1	-43	178.7	-177.5	62.1	0	0	0	112.5	Y409 M423 L424 E425	Y409-L421 HydrophobicContact CD1-CB 4.05Å; Y409-L421 HydrophobicContact CD1-CD1 3.76Å; Y409-L421 HydrophobicContact CD1-CG 4.48Å; Y409-L421 HydrophobicContact CE1-CB 3.88Å; Y409-L421 HydrophobicContact CE1-CD1 4.01Å; Y409-L421 HydrophobicContact CE1-CG 4.39Å; Y409-L421 HydrophobicContact CG-CB 4.44Å; L421-M423 PolarHBondContact O-N 3.47Å; L421-M423 VanDerWaalsContact O-N 3.11Å; L421-L424 HydrophobicContact CD1-CD2 4.34Å; L421-L424 CarbonylContact O-C 3.55Å; L421-L424 WeakPolarHBondContact O-CA 3.18Å; L421-L424 WeakPolarHBondContact O-CB 3.38Å; L421-L424 PolarHBondContact O-N 2.89Å; L421-E425 HydrophobicContact CG-CG 4.48Å; L421-E425 PolarHBondContact O-N 2.8Å
422	Q	81.2	Confident	75.5	Confident	132 Å²	132	91.1 Å²	91.1	62%	0.617	46%	0.463	S	S	*	.	H	α-helix	trans	-55.5	-29.9	176	-73	-177.1	-11.8	0	0	114	K420 K426	K420-Q422 VanDerWaalsContact C-N 3.31Å; K420-Q422 PolarHBondContact O-N 2.95Å; Q422-K426 WeakPolarHBondContact O-CG 3.21Å; Q422-K426 PolarHBondContact O-N 3.35Å
423	M	77.3	Confident	74.1	Confident	94 Å²	94	92.6 Å²	92.6	46%	0.463	46%	0.46	S	S	.	.	H	α-helix	trans	-78.4	-34.2	176.4	-66.6	-62.9	-179.9	0	0	111.6	Y418 K420 L421 K426 H427	Y418-M423 HydrophobicContact CD1-CB 3.84Å; Y418-M423 HydrophobicContact CG-CB 4.32Å; K420-M423 WeakPolarHBondContact O-CB 3.46Å; K420-M423 PolarHBondContact O-N 3.18Å; L421-M423 PolarHBondContact O-N 3.47Å; L421-M423 VanDerWaalsContact O-N 3.11Å; M423-K426 HydrophobicContact SD-CD 4.36Å; M423-H427 VanDerWaalsContact O-CB 3.3Å; M423-H427 WeakPolarHBondContact O-CB 3.23Å; M423-H427 PolarHBondContact O-N 3.23Å
424	L	83.2	Confident	72.8	Confident	30 Å²	30	91.2 Å²	91.2	16%	0.157	46%	0.458	C	S	.	.	H	α-helix	trans	-65.6	-38.2	168.8	175.6	59.6	0	0	0	111.2	Y410 C411 Y418 K420 L421 H427 S428	Y410-L424 WeakPolarHBondContact O-CD2 3.44Å; C411-L424 HydrophobicContact CB-CD1 3.69Å; Y418-L424 HydrophobicContact CD2-CB 4.01Å; Y418-L424 HydrophobicContact CD2-CD1 3.93Å; Y418-L424 HydrophobicContact CE2-CD1 4.14Å; Y418-L424 HydrophobicContact CG-CB 4.35Å; K420-L424 PolarHBondContact O-N 3.43Å; L421-L424 HydrophobicContact CD1-CD2 4.34Å; L421-L424 CarbonylContact O-C 3.55Å; L421-L424 WeakPolarHBondContact O-CA 3.18Å; L421-L424 WeakPolarHBondContact O-CB 3.38Å; L421-L424 PolarHBondContact O-N 2.89Å; L424-H427 CarbonylContact O-C 3.45Å; L424-H427 WeakPolarHBondContact O-CB 3.46Å; L424-H427 PolarHBondContact O-N 2.91Å; L424-S428 PolarHBondContact O-N 3.34Å
425	E	79.8	Confident	71.4	Confident	108 Å²	108	98.8 Å²	98.8	51%	0.505	48%	0.484	S	S	.	.	H	α-helix	trans	-64.2	-49.3	174.7	-70.4	-179.5	144.8	0	0	112.1	L421 H427 S428 I429	L421-E425 HydrophobicContact CG-CG 4.48Å; L421-E425 PolarHBondContact O-N 2.8Å; E425-H427 PolarHBondContact O-N 3.49Å; E425-S428 WeakPolarHBondContact O-CB 3.43Å; E425-S428 PolarHBondContact O-N 2.92Å; E425-S428 PolarHBondContact O-OG 3.28Å; E425-I429 PolarHBondContact O-N 3.42Å
426	K	75	Confident	70	Confident	121 Å²	121	104 Å²	104	53%	0.526	49%	0.494	S	S	.	.	H	α-helix	trans	-57.9	-33.9	173.6	-74.8	177.8	-178.5	-176.7	0	111.8	Q422 M423	Q422-K426 WeakPolarHBondContact O-CG 3.21Å; Q422-K426 PolarHBondContact O-N 3.35Å; M423-K426 HydrophobicContact SD-CD 4.36Å
427	H	76.1	Confident	68.5	Low	26 Å²	26	102 Å²	102	12%	0.12	51%	0.508	C	S	.	.	H	α-helix	trans	-73.7	-34.5	171.8	174.1	64	0	0	0	113.6	C411 C414 Y418 M423 L424 E425 I429 A430 H431	C411-H427 VanDerWaalsContact CB-CD2 3.49Å; C411-H427 WeakPolarHBondContact CB-CD2 3.34Å; C411-H427 WeakPolarHBondContact CB-NE2 3.15Å; C411-H427 VanDerWaalsContact SG-CD2 3.54Å; C411-H427 PolarHBondContact SG-NE2 3.43Å; C414-H427 PolarHBondContact SG-CE1 3.46Å; C414-H427 PolarHBondContact SG-NE2 3.2Å; Y418-H427 HydrophobicContact CE1-CB 4.25Å; Y418-H427 HydrophobicContact CE2-CB 3.93Å; Y418-H427 AromaticContact CE2-CD2 3.67Å; Y418-H427 AromaticContact CE2-CG 3.78Å; Y418-H427 AromaticContact CZ-CD2 3.92Å; Y418-H427 AromaticContact CZ-CG 3.57Å; Y418-H427 PolarHBondContact OH-ND1 3.24Å; M423-H427 VanDerWaalsContact O-CB 3.3Å; M423-H427 WeakPolarHBondContact O-CB 3.23Å; M423-H427 PolarHBondContact O-N 3.23Å; L424-H427 CarbonylContact O-C 3.45Å; L424-H427 WeakPolarHBondContact O-CB 3.46Å; L424-H427 PolarHBondContact O-N 2.91Å; E425-H427 PolarHBondContact O-N 3.49Å; H427-I429 PolarHBondContact O-N 3.01Å; H427-A430 WeakPolarHBondContact O-CA 3.49Å; H427-A430 WeakPolarHBondContact O-CB 3.48Å; H427-A430 PolarHBondContact O-N 3.48Å; H427-H431 AromaticContact CD2-NE2 3.87Å; H427-H431 AromaticContact CE1-NE2 3.41Å; H427-H431 PolarHBondContact CE1-NE2 2.92Å; H427-H431 AromaticContact NE2-CD2 3.77Å; H427-H431 AromaticContact NE2-CE1 3.95Å; H427-H431 AromaticContact NE2-NE2 2.95Å; H427-H431 PolarHBondContact NE2-NE2 3Å
428	S	69.8	Low	67.1	Low	46 Å²	46	104.1 Å²	104.1	32%	0.322	52%	0.517	S	S	.	.	H	α-helix	trans	-62.7	-29.5	-179.9	80.4	0	0	0	0	112.6	L424 E425 A430 H431 R432	L424-S428 PolarHBondContact O-N 3.34Å; E425-S428 WeakPolarHBondContact O-CB 3.43Å; E425-S428 PolarHBondContact O-N 2.92Å; E425-S428 PolarHBondContact O-OG 3.28Å; S428-A430 PolarHBondContact O-N 2.89Å; S428-H431 PolarHBondContact O-N 2.99Å; S428-R432 PolarHBondContact O-N 3.3Å
429	I	67.9	Low	65.8	Low	86 Å²	86	105.6 Å²	105.6	44%	0.441	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-23.9	170.6	-57.4	169.3	0	0	0	111.6	E425 H427 H431 R432	E425-I429 PolarHBondContact O-N 3.42Å; H427-I429 PolarHBondContact O-N 3.01Å; I429-H431 VanDerWaalsContact C-N 3.29Å; I429-H431 PolarHBondContact O-N 3.3Å; I429-R432 PolarHBondContact O-N 3.25Å
430	A	60.9	Low	65.3	Low	41 Å²	41	106.8 Å²	106.8	34%	0.339	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-29.3	174.5	0	0	0	0	0	113.3	H427 S428	H427-A430 WeakPolarHBondContact O-CA 3.49Å; H427-A430 WeakPolarHBondContact O-CB 3.48Å; H427-A430 PolarHBondContact O-N 3.48Å; S428-A430 PolarHBondContact O-N 2.89Å
431	H	68.1	Low	64.6	Low	71 Å²	71	103.2 Å²	103.2	33%	0.329	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-21.4	177.6	-57.9	-64.2	0	0	0	113.1	C411 L413 H427 S428 I429 M433	C411-H431 PolarHBondContact SG-NE2 2.98Å; L413-H431 HydrophobicContact CD1-CB 3.55Å; H427-H431 AromaticContact CD2-NE2 3.87Å; H427-H431 AromaticContact CE1-NE2 3.41Å; H427-H431 PolarHBondContact CE1-NE2 2.92Å; H427-H431 AromaticContact NE2-CD2 3.77Å; H427-H431 AromaticContact NE2-CE1 3.95Å; H427-H431 AromaticContact NE2-NE2 2.95Å; H427-H431 PolarHBondContact NE2-NE2 3Å; S428-H431 PolarHBondContact O-N 2.99Å; I429-H431 VanDerWaalsContact C-N 3.29Å; I429-H431 PolarHBondContact O-N 3.3Å; H431-M433 PolarHBondContact O-N 3.18Å
432	R	63.2	Low	63.7	Low	202 Å²	202	102.9 Å²	102.9	76%	0.762	52%	0.52	S	S	*	.			trans	-76.4	70.2	169.2	-70.2	-174.4	174.7	-177.8	-0	111.1	S428 I429 P434	S428-R432 PolarHBondContact O-N 3.3Å; I429-R432 PolarHBondContact O-N 3.25Å; R432-P434 WeakPolarHBondContact O-CD 3.47Å
433	M	46.3	Very low	63.3	Low	142 Å²	142	96.7 Å²	96.7	70%	0.7	49%	0.491	S	S	*	.			trans	-72	122.5	163.3	-76	-77.7	-86.4	0	0	109.2	H431	H431-M433 PolarHBondContact O-N 3.18Å
434	P	49.2	Very low	62.8	Low	93 Å²	93	103.7 Å²	103.7	60%	0.604	51%	0.513	S	S	*	.			trans	-62.5	144.3	168.7	-18.8	32.4	0	0	0	110.3	R432 H436	R432-P434 WeakPolarHBondContact O-CD 3.47Å; P434-H436 PolarHBondContact O-N 3.12Å
435	K	49.5	Very low	61.5	Low	215 Å²	215	109 Å²	109	94%	0.935	54%	0.535	S	S	*	.	S	Bend	trans	-61.5	-15.6	-178.3	-73.2	-175.2	175.5	-178.7	0	114.6
436	H	48.9	Very low	61	Low	164 Å²	164	106.5 Å²	106.5	76%	0.759	53%	0.529	S	S	*	.	S	Bend	trans	-109.5	121.9	167.9	-73.2	-82.8	0	0	0	109.3	P434 Y438	P434-H436 PolarHBondContact O-N 3.12Å; H436-Y438 PolarHBondContact O-N 2.95Å
437	G	44.8	Very low	60.7	Low	78 Å²	78	103.3 Å²	103.3	80%	0.804	53%	0.53	S	S	*	.			trans	-71.7	36.7	-169.4	0	0	0	0	0	116.8	L439	G437-L439 PolarHBondContact O-N 3.36Å
438	Y	50	Low	60.3	Low	204 Å²	204	107.5 Å²	107.5	80%	0.8	55%	0.548	S	S	*	.			trans	-83	104.1	177.7	-119.8	-98.3	0	0	0	111	H436	H436-Y438 PolarHBondContact O-N 2.95Å
439	L	52.9	Low	60.1	Low	78 Å²	78	109.2 Å²	109.2	41%	0.408	56%	0.556	S	S	.	*			trans	-74.5	117.7	165.7	-79.2	158.5	0	0	0	108.4	G437 F441 K451	G437-L439 PolarHBondContact O-N 3.36Å; L439-F441 VanDerWaalsContact C-N 3.35Å; L439-F441 PolarHBondContact O-N 2.8Å; L439-K451 HydrophobicContact CD2-CB 3.91Å; L439-K451 HydrophobicContact CD2-CG 3.95Å
440	P	64.8	Low	60.2	Low	88 Å²	88	107 Å²	107	57%	0.571	54%	0.544	S	S	*	.	S	Bend	trans	-72.4	-19	-158.7	-18.1	29.5	0	0	0	116.3
441	F	65.2	Low	60	Low	64 Å²	64	109.3 Å²	109.3	28%	0.281	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	90.9	-162.7	-59.4	-72.4	0	0	0	112	L439 F450 W452 N453 L456	L439-F441 VanDerWaalsContact C-N 3.35Å; L439-F441 PolarHBondContact O-N 2.8Å; F441-F450 HydrophobicContact CB-CB 4.25Å; F441-F450 PolarHBondContact O-N 3.17Å; F441-W452 VanDerWaalsContact CD2-C 3.48Å; F441-N453 HydrophobicContact CD1-CB 3.83Å; F441-N453 HydrophobicContact CD2-CB 4.36Å; F441-N453 VanDerWaalsContact CD2-N 3.33Å; F441-N453 HydrophobicContact CE1-CB 3.56Å; F441-N453 HydrophobicContact CE2-CB 4.11Å; F441-N453 HydrophobicContact CG-CB 4.23Å; F441-N453 HydrophobicContact CZ-CB 3.72Å; F441-L456 HydrophobicContact CB-CB 3.88Å; F441-L456 HydrophobicContact CB-CD2 3.79Å; F441-L456 HydrophobicContact CB-CG 4.43Å; F441-L456 HydrophobicContact CD1-CD2 4.37Å
442	T	64	Low	59.9	Low	77 Å²	77	111.5 Å²	111.5	47%	0.472	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.3	132.8	-179.1	64.3	0	0	0	0	112	R444 T449	T442-R444 PolarHBondContact O-N 2.94Å; T442-T449 HydrophobicContact CG2-CG2 3.78Å
443	C	72.6	Confident	60	Low	3 Å²	3	105.4 Å²	105.4	2%	0.02	53%	0.534	C	S	.	.			trans	-74.7	123.7	173.9	-177.9	0	0	0	0	111.9	F445 G447 K448 F450 L456 H459 H463	C443-F445 VanDerWaalsContact C-N 3.29Å; C443-F445 PolarHBondContact O-N 3.36Å; C443-F445 PolarHBondContact SG-N 2.87Å; C443-F445 VanDerWaalsContact SG-N 3.36Å; C443-G447 VanDerWaalsContact O-CA 3.27Å; C443-G447 WeakPolarHBondContact O-CA 3.44Å; C443-G447 PolarHBondContact O-N 3.07Å; C443-K448 PolarHBondContact N-O 2.88Å; C443-F450 HydrophobicContact CB-CE2 4.3Å; C443-L456 HydrophobicContact CB-CD1 3.79Å; C443-H459 VanDerWaalsContact CB-CD2 3.4Å; C443-H459 WeakPolarHBondContact CB-CD2 3.34Å; C443-H459 WeakPolarHBondContact CB-NE2 3.16Å; C443-H459 PolarHBondContact SG-CD2 3.06Å; C443-H459 PolarHBondContact SG-NE2 2.91Å; C443-H463 PolarHBondContact SG-NE2 3.41Å; C443-H463 VanDerWaalsContact SG-NE2 3.4Å
444	R	66.4	Low	61.3	Low	241 Å²	241	104.1 Å²	104.1	91%	0.909	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-26.6	176.7	-65.3	-177.2	177.5	176.8	-1.4	114.1	T442	T442-R444 PolarHBondContact O-N 2.94Å
445	F	55.5	Low	62.5	Low	141 Å²	141	102.4 Å²	102.4	62%	0.618	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-24	-175.3	-60.5	-70.4	0	0	0	114.7	C443 L460 H463	C443-F445 VanDerWaalsContact C-N 3.29Å; C443-F445 PolarHBondContact O-N 3.36Å; C443-F445 PolarHBondContact SG-N 2.87Å; C443-F445 VanDerWaalsContact SG-N 3.36Å; F445-L460 HydrophobicContact CD2-CD2 3.9Å; F445-L460 HydrophobicContact CE2-CD2 4.03Å; F445-H463 VanDerWaalsContact CB-CE1 3.46Å; F445-H463 WeakPolarHBondContact CB-CE1 3.33Å; F445-H463 WeakPolarHBondContact CB-ND1 3.43Å; F445-H463 HydrophobicContact CD2-CB 3.96Å; F445-H463 AromaticContact CD2-CD2 3.95Å; F445-H463 AromaticContact CD2-CG 3.83Å; F445-H463 HydrophobicContact CE2-CB 4.44Å; F445-H463 HydrophobicContact CG-CB 4.32Å; F445-H463 AromaticContact CG-CG 3.99Å
446	C	70.4	Confident	63.6	Low	56 Å²	56	93 Å²	93	38%	0.378	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.2	14.9	179.1	75.3	0	0	0	0	115.4	K448 H459	C446-K448 PolarHBondContact O-N 2.38Å; C446-H459 PolarHBondContact SG-CE1 2.95Å; C446-H459 PolarHBondContact SG-NE2 2.91Å
447	G	68.6	Low	64.8	Low	53 Å²	53	89.7 Å²	89.7	55%	0.546	46%	0.459	S	S	.	.			trans	69.6	-8.5	175.7	0	0	0	0	0	116.5	C443 T449	C443-G447 VanDerWaalsContact O-CA 3.27Å; C443-G447 WeakPolarHBondContact O-CA 3.44Å; C443-G447 PolarHBondContact O-N 3.07Å; G447-T449 PolarHBondContact O-N 2.79Å
448	K	68	Low	65.9	Low	115 Å²	115	91.2 Å²	91.2	50%	0.5	44%	0.443	S	S	.	.			trans	-60.5	128.5	-176.2	-71.8	-178.8	-177.2	-179.6	0	111.9	C443 C446 F450	C443-K448 PolarHBondContact N-O 2.88Å; C446-K448 PolarHBondContact O-N 2.38Å; K448-F450 HydrophobicContact CB-CE2 3.66Å; K448-F450 HydrophobicContact CB-CZ 3.78Å; K448-F450 WeakPolarHBondContact O-CD2 3.44Å; K448-F450 VanDerWaalsContact O-CE2 3.22Å; K448-F450 WeakPolarHBondContact O-CE2 3.24Å
449	T	66	Low	67	Low	82 Å²	82	82 Å²	82	50%	0.503	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	130.2	-178.5	62.9	0	0	0	0	111	T442 G447	T442-T449 HydrophobicContact CG2-CG2 3.78Å; G447-T449 PolarHBondContact O-N 2.79Å
450	F	68.3	Low	67.6	Low	40 Å²	40	80.9 Å²	80.9	18%	0.175	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	144.5	-176.9	-62.9	-85.4	0	0	0	111.5	F441 C443 K448 N455 L456 H459	F441-F450 HydrophobicContact CB-CB 4.25Å; F441-F450 PolarHBondContact O-N 3.17Å; C443-F450 HydrophobicContact CB-CE2 4.3Å; K448-F450 HydrophobicContact CB-CE2 3.66Å; K448-F450 HydrophobicContact CB-CZ 3.78Å; K448-F450 WeakPolarHBondContact O-CD2 3.44Å; K448-F450 VanDerWaalsContact O-CE2 3.22Å; K448-F450 WeakPolarHBondContact O-CE2 3.24Å; F450-N455 HydrophobicContact CB-CB 4.16Å; F450-N455 HydrophobicContact CD1-CB 3.84Å; F450-N455 HydrophobicContact CG-CB 4.31Å; F450-L456 HydrophobicContact CB-CB 4.19Å; F450-L456 HydrophobicContact CD2-CB 3.97Å; F450-L456 HydrophobicContact CD2-CD1 3.83Å; F450-L456 HydrophobicContact CE2-CD1 4.11Å; F450-L456 HydrophobicContact CG-CB 4.24Å; F450-H459 HydrophobicContact CE1-CB 3.87Å; F450-H459 HydrophobicContact CE2-CB 3.71Å; F450-H459 AromaticContact CE2-CD2 3.41Å; F450-H459 VanDerWaalsContact CE2-CD2 3.41Å; F450-H459 WeakPolarHBondContact CE2-CD2 3.25Å; F450-H459 AromaticContact CE2-CG 3.45Å; F450-H459 VanDerWaalsContact CE2-CG 3.45Å; F450-H459 HydrophobicContact CZ-CB 3.35Å; F450-H459 AromaticContact CZ-CD2 3.62Å; F450-H459 AromaticContact CZ-CG 3.17Å; F450-H459 AromaticContact CZ-ND1 3.6Å
451	K	56.5	Low	67.7	Low	89 Å²	89	83.3 Å²	83.3	39%	0.387	41%	0.407	S	S	.	.	S	Bend	trans	-70.6	-31.2	178.9	-168.2	168.9	-175.2	162.3	0	113.2	L439	L439-K451 HydrophobicContact CD2-CB 3.91Å; L439-K451 HydrophobicContact CD2-CG 3.95Å
452	W	67.1	Low	67.3	Low	116 Å²	116	81.9 Å²	81.9	44%	0.439	40%	0.403	S	S	.	.	S	Bend	trans	-132.2	147.7	-176.1	-57.7	-26.6	0	0	0	110.6	F441 E454 N455 L456	F441-W452 VanDerWaalsContact CD2-C 3.48Å; W452-E454 VanDerWaalsContact C-N 3.3Å; W452-E454 PolarHBondContact O-N 3.46Å; W452-N455 PolarHBondContact O-N 2.94Å; W452-L456 PolarHBondContact O-N 3.2Å
453	N	65.8	Low	67.2	Low	75 Å²	75	81.4 Å²	81.4	40%	0.401	40%	0.395	S	S	.	.	H	α-helix	trans	-59.7	-39.2	178.7	-163.9	20	0	0	0	112.1	F441 N455 L456 L457	F441-N453 HydrophobicContact CD1-CB 3.83Å; F441-N453 HydrophobicContact CD2-CB 4.36Å; F441-N453 VanDerWaalsContact CD2-N 3.33Å; F441-N453 HydrophobicContact CE1-CB 3.56Å; F441-N453 HydrophobicContact CE2-CB 4.11Å; F441-N453 HydrophobicContact CG-CB 4.23Å; F441-N453 HydrophobicContact CZ-CB 3.72Å; N453-N455 PolarHBondContact O-N 3.08Å; N453-N455 VanDerWaalsContact O-N 3.15Å; N453-L456 CarbonylContact O-C 3.55Å; N453-L456 WeakPolarHBondContact O-CA 3.16Å; N453-L456 WeakPolarHBondContact O-CB 3.45Å; N453-L456 PolarHBondContact O-N 3.36Å; N453-L457 WeakPolarHBondContact O-CG 3.13Å; N453-L457 PolarHBondContact O-N 3.44Å
454	E	72.7	Confident	66.5	Low	115 Å²	115	87.8 Å²	87.8	54%	0.537	43%	0.429	S	S	.	.	H	α-helix	trans	-52.7	-37.6	174.1	-71.6	-174.9	-157.4	0	0	113.3	W452 L457 K458	W452-E454 VanDerWaalsContact C-N 3.3Å; W452-E454 PolarHBondContact O-N 3.46Å; E454-L457 PolarHBondContact O-N 3.36Å; E454-K458 WeakPolarHBondContact O-CB 3.25Å; E454-K458 WeakPolarHBondContact O-CD 3.44Å; E454-K458 WeakPolarHBondContact O-CG 3.27Å; E454-K458 PolarHBondContact O-N 2.96Å; E454-K458 IonicContact OE2-NZ 3.49Å; E454-K458 PolarHBondContact OE2-NZ 3.29Å
455	N	74.3	Confident	65.5	Low	57 Å²	57	81.4 Å²	81.4	31%	0.305	42%	0.421	S	S	.	.	H	α-helix	trans	-78.1	-30.8	-179.1	-65.6	-21.6	0	0	0	111.3	F450 W452 N453 H459	F450-N455 HydrophobicContact CB-CB 4.16Å; F450-N455 HydrophobicContact CD1-CB 3.84Å; F450-N455 HydrophobicContact CG-CB 4.31Å; W452-N455 PolarHBondContact O-N 2.94Å; N453-N455 PolarHBondContact O-N 3.08Å; N453-N455 VanDerWaalsContact O-N 3.15Å; N455-H459 WeakPolarHBondContact O-CB 3.31Å; N455-H459 PolarHBondContact O-N 3.23Å; N455-H459 VanDerWaalsContact O-N 3.08Å
456	L	73.9	Confident	65.2	Low	17 Å²	17	82.8 Å²	82.8	9%	0.089	43%	0.43	C	S	.	.	H	α-helix	trans	-67.5	-43.1	167.9	174.7	62.1	0	0	0	111.2	F441 C443 F450 W452 N453 H459 L460	F441-L456 HydrophobicContact CB-CB 3.88Å; F441-L456 HydrophobicContact CB-CD2 3.79Å; F441-L456 HydrophobicContact CB-CG 4.43Å; F441-L456 HydrophobicContact CD1-CD2 4.37Å; C443-L456 HydrophobicContact CB-CD1 3.79Å; F450-L456 HydrophobicContact CB-CB 4.19Å; F450-L456 HydrophobicContact CD2-CB 3.97Å; F450-L456 HydrophobicContact CD2-CD1 3.83Å; F450-L456 HydrophobicContact CE2-CD1 4.11Å; F450-L456 HydrophobicContact CG-CB 4.24Å; W452-L456 PolarHBondContact O-N 3.2Å; N453-L456 CarbonylContact O-C 3.55Å; N453-L456 WeakPolarHBondContact O-CA 3.16Å; N453-L456 WeakPolarHBondContact O-CB 3.45Å; N453-L456 PolarHBondContact O-N 3.36Å; L456-H459 CarbonylContact O-C 3.22Å; L456-H459 WeakPolarHBondContact O-CA 3.39Å; L456-H459 WeakPolarHBondContact O-CB 3.33Å; L456-H459 PolarHBondContact O-N 2.71Å; L456-L460 HydrophobicContact CD1-CD1 4.16Å; L456-L460 HydrophobicContact CD1-CD2 4.4Å; L456-L460 HydrophobicContact CD1-CG 3.98Å; L456-L460 HydrophobicContact CD2-CD1 4.46Å; L456-L460 HydrophobicContact CG-CD1 3.91Å; L456-L460 HydrophobicContact CG-CG 4.22Å; L456-L460 WeakPolarHBondContact O-CG 3.23Å; L456-L460 PolarHBondContact O-N 3.01Å
457	L	72.9	Confident	64.3	Low	94 Å²	94	88.3 Å²	88.3	49%	0.492	45%	0.45	S	S	.	.	H	α-helix	trans	-61.9	-49.6	177	-71.4	167.4	0	0	0	111.4	N453 E454 H459 L460 M461	N453-L457 WeakPolarHBondContact O-CG 3.13Å; N453-L457 PolarHBondContact O-N 3.44Å; E454-L457 PolarHBondContact O-N 3.36Å; L457-H459 PolarHBondContact O-N 3.24Å; L457-H459 VanDerWaalsContact O-N 3.13Å; L457-L460 PolarHBondContact O-N 2.94Å; L457-L460 VanDerWaalsContact O-N 3.07Å; L457-M461 WeakPolarHBondContact O-CG 3.47Å; L457-M461 PolarHBondContact O-N 3.02Å
458	K	68.7	Low	63.9	Low	110 Å²	110	89.8 Å²	89.8	48%	0.478	45%	0.45	S	S	.	.	H	α-helix	trans	-56.1	-28.4	171.5	-72.2	163.1	-170.8	158.8	0	112.5	E454	E454-K458 WeakPolarHBondContact O-CB 3.25Å; E454-K458 WeakPolarHBondContact O-CD 3.44Å; E454-K458 WeakPolarHBondContact O-CG 3.27Å; E454-K458 PolarHBondContact O-N 2.96Å; E454-K458 IonicContact OE2-NZ 3.49Å; E454-K458 PolarHBondContact OE2-NZ 3.29Å
459	H	71.7	Confident	63.7	Low	10 Å²	10	87.2 Å²	87.2	5%	0.046	44%	0.441	C	S	.	.	H	α-helix	trans	-83.5	-34.7	175.4	173.1	71.1	0	0	0	114	C443 C446 F450 N455 L456 L457 M461 L462 H463	C443-H459 VanDerWaalsContact CB-CD2 3.4Å; C443-H459 WeakPolarHBondContact CB-CD2 3.34Å; C443-H459 WeakPolarHBondContact CB-NE2 3.16Å; C443-H459 PolarHBondContact SG-CD2 3.06Å; C443-H459 PolarHBondContact SG-NE2 2.91Å; C446-H459 PolarHBondContact SG-CE1 2.95Å; C446-H459 PolarHBondContact SG-NE2 2.91Å; F450-H459 HydrophobicContact CE1-CB 3.87Å; F450-H459 HydrophobicContact CE2-CB 3.71Å; F450-H459 AromaticContact CE2-CD2 3.41Å; F450-H459 VanDerWaalsContact CE2-CD2 3.41Å; F450-H459 WeakPolarHBondContact CE2-CD2 3.25Å; F450-H459 AromaticContact CE2-CG 3.45Å; F450-H459 VanDerWaalsContact CE2-CG 3.45Å; F450-H459 HydrophobicContact CZ-CB 3.35Å; F450-H459 AromaticContact CZ-CD2 3.62Å; F450-H459 AromaticContact CZ-CG 3.17Å; F450-H459 AromaticContact CZ-ND1 3.6Å; N455-H459 WeakPolarHBondContact O-CB 3.31Å; N455-H459 PolarHBondContact O-N 3.23Å; N455-H459 VanDerWaalsContact O-N 3.08Å; L456-H459 CarbonylContact O-C 3.22Å; L456-H459 WeakPolarHBondContact O-CA 3.39Å; L456-H459 WeakPolarHBondContact O-CB 3.33Å; L456-H459 PolarHBondContact O-N 2.71Å; L457-H459 PolarHBondContact O-N 3.24Å; L457-H459 VanDerWaalsContact O-N 3.13Å; H459-M461 VanDerWaalsContact C-N 3.27Å; H459-M461 PolarHBondContact O-N 3.47Å; H459-L462 VanDerWaalsContact O-CB 3.26Å; H459-L462 WeakPolarHBondContact O-CB 3.29Å; H459-L462 PolarHBondContact O-N 2.94Å; H459-H463 AromaticContact CD2-NE2 3.87Å; H459-H463 AromaticContact CE1-NE2 3.38Å; H459-H463 PolarHBondContact CE1-NE2 3.41Å; H459-H463 AromaticContact NE2-CD2 3.72Å; H459-H463 AromaticContact NE2-NE2 2.99Å; H459-H463 PolarHBondContact NE2-NE2 3.01Å
460	L	66.3	Low	64.1	Low	55 Å²	55	92.7 Å²	92.7	29%	0.288	45%	0.452	S	S	.	.	H	α-helix	trans	-66	-32.4	174.6	-71.8	169	0	0	0	111.2	F445 L456 L457 L462 H463 N464	F445-L460 HydrophobicContact CD2-CD2 3.9Å; F445-L460 HydrophobicContact CE2-CD2 4.03Å; L456-L460 HydrophobicContact CD1-CD1 4.16Å; L456-L460 HydrophobicContact CD1-CD2 4.4Å; L456-L460 HydrophobicContact CD1-CG 3.98Å; L456-L460 HydrophobicContact CD2-CD1 4.46Å; L456-L460 HydrophobicContact CG-CD1 3.91Å; L456-L460 HydrophobicContact CG-CG 4.22Å; L456-L460 WeakPolarHBondContact O-CG 3.23Å; L456-L460 PolarHBondContact O-N 3.01Å; L457-L460 PolarHBondContact O-N 2.94Å; L457-L460 VanDerWaalsContact O-N 3.07Å; L460-L462 PolarHBondContact O-N 3.27Å; L460-H463 PolarHBondContact O-N 3.17Å; L460-N464 PolarHBondContact O-N 2.92Å
461	M	66.9	Low	64.5	Low	140 Å²	140	90.8 Å²	90.8	69%	0.69	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-4.1	168	-60.1	-148	-60	0	0	114.4	L457 H459	L457-M461 WeakPolarHBondContact O-CG 3.47Å; L457-M461 PolarHBondContact O-N 3.02Å; H459-M461 VanDerWaalsContact C-N 3.27Å; H459-M461 PolarHBondContact O-N 3.47Å
462	L	57.4	Low	65.3	Low	34 Å²	34	91.5 Å²	91.5	18%	0.178	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-1.7	173.7	-53.4	162.6	0	0	0	112.4	H459 L460 S479 N480	H459-L462 VanDerWaalsContact O-CB 3.26Å; H459-L462 WeakPolarHBondContact O-CB 3.29Å; H459-L462 PolarHBondContact O-N 2.94Å; L460-L462 PolarHBondContact O-N 3.27Å; L462-S479 WeakPolarHBondContact O-CB 3.48Å; L462-N480 HydrophobicContact CD2-CB 4.39Å; L462-N480 WeakPolarHBondContact CD2-ND2 3.26Å
463	H	62	Low	65.4	Low	67 Å²	67	88.3 Å²	88.3	31%	0.31	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-31.6	170	-65	-75.8	0	0	0	112	C443 F445 H459 L460 S465	C443-H463 PolarHBondContact SG-NE2 3.41Å; C443-H463 VanDerWaalsContact SG-NE2 3.4Å; F445-H463 VanDerWaalsContact CB-CE1 3.46Å; F445-H463 WeakPolarHBondContact CB-CE1 3.33Å; F445-H463 WeakPolarHBondContact CB-ND1 3.43Å; F445-H463 HydrophobicContact CD2-CB 3.96Å; F445-H463 AromaticContact CD2-CD2 3.95Å; F445-H463 AromaticContact CD2-CG 3.83Å; F445-H463 HydrophobicContact CE2-CB 4.44Å; F445-H463 HydrophobicContact CG-CB 4.32Å; F445-H463 AromaticContact CG-CG 3.99Å; H459-H463 AromaticContact CD2-NE2 3.87Å; H459-H463 AromaticContact CE1-NE2 3.38Å; H459-H463 PolarHBondContact CE1-NE2 3.41Å; H459-H463 AromaticContact NE2-CD2 3.72Å; H459-H463 AromaticContact NE2-NE2 2.99Å; H459-H463 PolarHBondContact NE2-NE2 3.01Å; L460-H463 PolarHBondContact O-N 3.17Å; H463-S465 PolarHBondContact O-N 3.23Å
464	N	57.8	Low	66	Low	136 Å²	136	87.3 Å²	87.3	73%	0.727	46%	0.457	S	S	*	.	S	Bend	trans	-74.4	106.6	170.8	-89.2	13.4	0	0	0	110.4	L460 Q466	L460-N464 PolarHBondContact O-N 2.92Å; N464-Q466 PolarHBondContact O-N 3.19Å
465	S	45	Very low	65.9	Low	108 Å²	108	86.3 Å²	86.3	76%	0.755	46%	0.462	S	S	*	.			trans	-59.2	109.1	178.7	50.7	0	0	0	0	113.4	H463	H463-S465 PolarHBondContact O-N 3.23Å
466	Q	48.2	Very low	66	Low	170 Å²	170	88.3 Å²	88.3	79%	0.794	47%	0.469	S	S	*	.	S	Bend		-91.7	152.2	126.8	-74.8	173.8	-19.2	0	0	107.3	N464	N464-Q466 PolarHBondContact O-N 3.19Å
467	E	51.8	Low	65.6	Low	171 Å²	171	93.2 Å²	93.2	80%	0.799	49%	0.494	S	S	*	.			trans	-49.4	136.2	-154.8	-66.7	-172.2	130.3	0	0	114.9	I469	E467-I469 WeakPolarHBondContact O-CG1 3.46Å; E467-I469 PolarHBondContact O-N 3.45Å
468	P	61.1	Low	65.6	Low	85 Å²	85	90.1 Å²	90.1	55%	0.552	48%	0.477	S	S	*	.			trans	-56.4	109.7	178.8	12.9	-22.6	0	0	0	111.8	R470 I477	P468-R470 PolarHBondContact O-N 3.39Å; P468-I477 HydrophobicContact CB-CG2 3.31Å
469	I	64.4	Low	65.2	Low	61 Å²	61	86.9 Å²	86.9	31%	0.313	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	112.3	-173.7	-43.3	-174.4	0	0	0	109.2	E467 F478 A481 L484	E467-I469 WeakPolarHBondContact O-CG1 3.46Å; E467-I469 PolarHBondContact O-N 3.45Å; I469-F478 PolarHBondContact N-O 3.16Å; I469-F478 PolarHBondContact O-N 3.37Å; I469-A481 HydrophobicContact CD1-CB 3.91Å; I469-L484 HydrophobicContact CB-CD2 4.45Å; I469-L484 HydrophobicContact CG2-CD2 3.58Å
470	R	73.2	Confident	64.7	Low	196 Å²	196	88.7 Å²	88.7	74%	0.74	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75	138.8	175.7	69.6	-174.9	-170.5	173.7	3.7	111.5	P468 Q476	P468-R470 PolarHBondContact O-N 3.39Å; R470-Q476 CarbonylContact C-O 3.55Å; R470-Q476 WeakPolarHBondContact CA-O 3.3Å
471	C	77.8	Confident	64.9	Low	1 Å²	1	88.3 Å²	88.3	1%	0.007	48%	0.482	C	S	.	.			trans	-71.2	130.4	165.1	-178.5	0	0	0	0	110.3	A473 C475 Q476 F478 L484 H492	C471-A473 VanDerWaalsContact C-N 3.27Å; C471-A473 PolarHBondContact O-N 3.46Å; C471-A473 PolarHBondContact SG-N 3.36Å; C471-C475 WeakPolarHBondContact O-CA 3.14Å; C471-C475 PolarHBondContact O-N 3.06Å; C471-Q476 PolarHBondContact N-O 3.02Å; C471-F478 HydrophobicContact CB-CE2 4.01Å; C471-L484 HydrophobicContact CB-CD1 3.56Å; C471-H492 VanDerWaalsContact SG-CD2 3.54Å; C471-H492 PolarHBondContact SG-NE2 3.4Å; C471-H492 VanDerWaalsContact SG-NE2 3.45Å
472	S	71.5	Confident	65.2	Low	103 Å²	103	86.1 Å²	86.1	72%	0.72	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-29.7	176.9	48.7	0	0	0	0	113.6
473	A	69.5	Low	65.7	Low	49 Å²	49	89.1 Å²	89.1	41%	0.405	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-14.2	-170.8	0	0	0	0	0	115.3	C471 Y488 H492	C471-A473 VanDerWaalsContact C-N 3.27Å; C471-A473 PolarHBondContact O-N 3.46Å; C471-A473 PolarHBondContact SG-N 3.36Å; A473-Y488 HydrophobicContact CB-CE2 4.33Å; A473-H492 VanDerWaalsContact C-CE1 3.47Å; A473-H492 WeakPolarHBondContact CB-CE1 3.47Å; A473-H492 WeakPolarHBondContact CB-ND1 3.31Å
474	C	78.4	Confident	66.4	Low	54 Å²	54	87.2 Å²	87.2	37%	0.365	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.6	9.5	171.4	70.7	0	0	0	0	115.4	Q476 H487 H492	C474-Q476 PolarHBondContact O-N 2.85Å; C474-Q476 WeakPolarHBondContact SG-CG 3.19Å; C474-H487 PolarHBondContact SG-CE1 2.78Å; C474-H487 PolarHBondContact SG-NE2 2.86Å; C474-H492 PolarHBondContact SG-NE2 3.1Å
475	C	72.1	Confident	66.9	Low	95 Å²	95	83.5 Å²	83.5	64%	0.642	46%	0.458	S	S	*	.			trans	57.7	8.7	178.4	-54	0	0	0	0	116.3	C471	C471-C475 WeakPolarHBondContact O-CA 3.14Å; C471-C475 PolarHBondContact O-N 3.06Å
476	Q	74.5	Confident	68.2	Low	99 Å²	99	82.9 Å²	82.9	46%	0.463	45%	0.449	S	S	.	.			trans	-60.2	141.7	171.8	-73.7	-79.1	-39.5	0	0	110.8	R470 C471 C474 F478	R470-Q476 CarbonylContact C-O 3.55Å; R470-Q476 WeakPolarHBondContact CA-O 3.3Å; C471-Q476 PolarHBondContact N-O 3.02Å; C474-Q476 PolarHBondContact O-N 2.85Å; C474-Q476 WeakPolarHBondContact SG-CG 3.19Å; Q476-F478 HydrophobicContact CB-CE2 3.5Å; Q476-F478 VanDerWaalsContact CB-CE2 3.5Å; Q476-F478 HydrophobicContact CB-CZ 3.52Å; Q476-F478 WeakPolarHBondContact O-CD2 3.4Å; Q476-F478 WeakPolarHBondContact O-CE2 3.38Å
477	I	67.2	Low	69.5	Low	119 Å²	119	75.7 Å²	75.7	61%	0.61	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.8	129.7	-172.8	-66.3	174	0	0	0	110.5	P468	P468-I477 HydrophobicContact CB-CG2 3.31Å
478	F	71.1	Confident	70.3	Confident	30 Å²	30	71.7 Å²	71.7	13%	0.132	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	140.5	-178.3	-61.6	-76.6	0	0	0	112.7	I469 C471 Q476 N480 R483 L484 H487	I469-F478 PolarHBondContact N-O 3.16Å; I469-F478 PolarHBondContact O-N 3.37Å; C471-F478 HydrophobicContact CB-CE2 4.01Å; Q476-F478 HydrophobicContact CB-CE2 3.5Å; Q476-F478 VanDerWaalsContact CB-CE2 3.5Å; Q476-F478 HydrophobicContact CB-CZ 3.52Å; Q476-F478 WeakPolarHBondContact O-CD2 3.4Å; Q476-F478 WeakPolarHBondContact O-CE2 3.38Å; F478-N480 VanDerWaalsContact C-N 3.25Å; F478-N480 PolarHBondContact O-N 2.95Å; F478-R483 HydrophobicContact CB-CB 4.21Å; F478-R483 HydrophobicContact CD1-CB 4.02Å; F478-R483 HydrophobicContact CG-CB 4.47Å; F478-L484 HydrophobicContact CB-CB 4.1Å; F478-L484 HydrophobicContact CD2-CB 4.01Å; F478-L484 HydrophobicContact CD2-CD1 3.71Å; F478-L484 HydrophobicContact CD2-CG 4.46Å; F478-L484 HydrophobicContact CE2-CD1 4.04Å; F478-L484 HydrophobicContact CG-CB 4.13Å; F478-H487 HydrophobicContact CD1-CB 4.23Å; F478-H487 HydrophobicContact CE1-CB 3.52Å; F478-H487 AromaticContact CE1-CG 3.7Å; F478-H487 HydrophobicContact CE2-CB 4Å; F478-H487 AromaticContact CE2-CD2 3.33Å; F478-H487 WeakPolarHBondContact CE2-CD2 3.48Å; F478-H487 AromaticContact CE2-CG 3.54Å; F478-H487 AromaticContact CE2-NE2 3.77Å; F478-H487 HydrophobicContact CZ-CB 3.42Å; F478-H487 VanDerWaalsContact CZ-CB 3.42Å; F478-H487 AromaticContact CZ-CD2 3.36Å; F478-H487 WeakPolarHBondContact CZ-CD2 3.47Å; F478-H487 AromaticContact CZ-CE1 3.74Å; F478-H487 AromaticContact CZ-CG 3.04Å; F478-H487 AromaticContact CZ-ND1 3.33Å; F478-H487 VanDerWaalsContact CZ-ND1 3.33Å; F478-H487 WeakPolarHBondContact CZ-ND1 3.45Å; F478-H487 AromaticContact CZ-NE2 3.77Å
479	S	60.7	Low	70.8	Confident	41 Å²	41	75.7 Å²	75.7	29%	0.287	40%	0.398	S	S	.	.	S	Bend	trans	-73.4	-10.8	-178.7	66.6	0	0	0	0	114.6	L462 R483	L462-S479 WeakPolarHBondContact O-CB 3.48Å; S479-R483 WeakPolarHBondContact OG-CD 3.48Å; S479-R483 PolarHBondContact OG-NH1 3.36Å
480	N	62.9	Low	71	Confident	49 Å²	49	76.6 Å²	76.6	26%	0.262	41%	0.414	S	S	.	.	S	Bend	trans	-165.1	165	173.2	68	-2.9	0	0	0	111.7	L462 F478 T482 R483 L484	L462-N480 HydrophobicContact CD2-CB 4.39Å; L462-N480 WeakPolarHBondContact CD2-ND2 3.26Å; F478-N480 VanDerWaalsContact C-N 3.25Å; F478-N480 PolarHBondContact O-N 2.95Å; N480-T482 VanDerWaalsContact C-N 3.29Å; N480-T482 PolarHBondContact ND2-OG1 3.49Å; N480-T482 PolarHBondContact O-N 3.49Å; N480-R483 PolarHBondContact O-N 3.31Å; N480-R483 VanDerWaalsContact OD1-CB 3.29Å; N480-R483 WeakPolarHBondContact OD1-CB 3.31Å; N480-R483 WeakPolarHBondContact OD1-CG 3.32Å; N480-R483 PolarHBondContact OD1-N 3.4Å; N480-L484 PolarHBondContact O-N 3.28Å
481	A	70.3	Confident	70.6	Confident	46 Å²	46	75.5 Å²	75.5	38%	0.38	41%	0.41	S	S	.	.	H	α-helix	trans	-61.9	-33.7	-177.5	0	0	0	0	0	113.2	I469 R483 L484 D485	I469-A481 HydrophobicContact CD1-CB 3.91Å; A481-R483 VanDerWaalsContact C-N 3.34Å; A481-R483 PolarHBondContact O-N 2.74Å; A481-L484 PolarHBondContact O-N 3.45Å; A481-D485 WeakPolarHBondContact O-CB 3.49Å; A481-D485 PolarHBondContact O-N 3.07Å
482	T	71.8	Confident	70.1	Confident	94 Å²	94	76.1 Å²	76.1	58%	0.577	41%	0.413	S	S	*	.	H	α-helix	trans	-65.6	-35.7	178.1	-5.2	0	0	0	0	112.3	N480 V486	N480-T482 VanDerWaalsContact C-N 3.29Å; N480-T482 PolarHBondContact ND2-OG1 3.49Å; N480-T482 PolarHBondContact O-N 3.49Å; T482-V486 WeakPolarHBondContact O-CG2 2.99Å; T482-V486 PolarHBondContact O-N 3.06Å; T482-V486 VanDerWaalsContact O-N 3.09Å
483	R	68.4	Low	69.3	Low	98 Å²	98	73 Å²	73	37%	0.37	40%	0.397	S	S	.	.	H	α-helix	trans	-74.2	-35.9	173.8	-81.4	179.9	168.6	166.3	-3.1	112.7	F478 S479 N480 A481 D485 H487	F478-R483 HydrophobicContact CB-CB 4.21Å; F478-R483 HydrophobicContact CD1-CB 4.02Å; F478-R483 HydrophobicContact CG-CB 4.47Å; S479-R483 WeakPolarHBondContact OG-CD 3.48Å; S479-R483 PolarHBondContact OG-NH1 3.36Å; N480-R483 PolarHBondContact O-N 3.31Å; N480-R483 VanDerWaalsContact OD1-CB 3.29Å; N480-R483 WeakPolarHBondContact OD1-CB 3.31Å; N480-R483 WeakPolarHBondContact OD1-CG 3.32Å; N480-R483 PolarHBondContact OD1-N 3.4Å; A481-R483 VanDerWaalsContact C-N 3.34Å; A481-R483 PolarHBondContact O-N 2.74Å; R483-D485 VanDerWaalsContact C-N 3.34Å; R483-H487 VanDerWaalsContact O-CB 3.26Å; R483-H487 WeakPolarHBondContact O-CB 3.3Å; R483-H487 PolarHBondContact O-N 3.49Å
484	L	77.5	Confident	68.6	Low	27 Å²	27	78 Å²	78	14%	0.141	42%	0.417	C	S	.	.	H	α-helix	trans	-60.4	-45.8	171.2	172.3	60.4	0	0	0	110.7	I469 C471 F478 N480 A481 H487 Y488	I469-L484 HydrophobicContact CB-CD2 4.45Å; I469-L484 HydrophobicContact CG2-CD2 3.58Å; C471-L484 HydrophobicContact CB-CD1 3.56Å; F478-L484 HydrophobicContact CB-CB 4.1Å; F478-L484 HydrophobicContact CD2-CB 4.01Å; F478-L484 HydrophobicContact CD2-CD1 3.71Å; F478-L484 HydrophobicContact CD2-CG 4.46Å; F478-L484 HydrophobicContact CE2-CD1 4.04Å; F478-L484 HydrophobicContact CG-CB 4.13Å; N480-L484 PolarHBondContact O-N 3.28Å; A481-L484 PolarHBondContact O-N 3.45Å; L484-H487 CarbonylContact O-C 3.5Å; L484-H487 WeakPolarHBondContact O-CB 3.45Å; L484-H487 PolarHBondContact O-N 3.09Å; L484-Y488 WeakPolarHBondContact O-CB 3.31Å; L484-Y488 PolarHBondContact O-N 2.89Å
485	D	67.2	Low	67.3	Low	58 Å²	58	81.7 Å²	81.7	31%	0.31	43%	0.432	S	S	.	.	H	α-helix	trans	-61.7	-45.9	178.4	176.1	43.9	0	0	0	112.4	A481 R483 H487 Y488 R489	A481-D485 WeakPolarHBondContact O-CB 3.49Å; A481-D485 PolarHBondContact O-N 3.07Å; R483-D485 VanDerWaalsContact C-N 3.34Å; D485-H487 PolarHBondContact O-N 3.08Å; D485-Y488 PolarHBondContact O-N 3.47Å; D485-R489 VanDerWaalsContact CG-CZ 3.46Å; D485-R489 WeakPolarHBondContact O-CG 3.42Å; D485-R489 PolarHBondContact O-N 2.97Å; D485-R489 IonicContact OD1-CZ 3.05Å; D485-R489 IonicContact OD1-NE 2.63Å; D485-R489 PolarHBondContact OD1-NE 2.79Å; D485-R489 IonicContact OD1-NH2 3.15Å; D485-R489 PolarHBondContact OD1-NH2 3.27Å; D485-R489 IonicContact OD2-CZ 2.66Å; D485-R489 IonicContact OD2-NE 3.33Å; D485-R489 IonicContact OD2-NH1 3.1Å; D485-R489 IonicContact OD2-NH2 2.66Å; D485-R489 PolarHBondContact OD2-NH2 2.91Å
486	V	73.4	Confident	66.1	Low	94 Å²	94	78.2 Å²	78.2	57%	0.57	41%	0.413	S	S	*	.	H	α-helix	trans	-61.4	-42.8	173.2	171	0	0	0	0	111.7	T482 A490	T482-V486 WeakPolarHBondContact O-CG2 2.99Å; T482-V486 PolarHBondContact O-N 3.06Å; T482-V486 VanDerWaalsContact O-N 3.09Å; V486-A490 VanDerWaalsContact O-CB 3.25Å; V486-A490 WeakPolarHBondContact O-CB 3.35Å; V486-A490 PolarHBondContact O-N 3.07Å
487	H	75.9	Confident	64.9	Low	19 Å²	19	82.3 Å²	82.3	9%	0.088	43%	0.425	C	S	.	.	H	α-helix	trans	-63.5	-43.5	175	161	80.9	0	0	0	112.1	C474 F478 R483 L484 D485 R489 A490 R491 H492	C474-H487 PolarHBondContact SG-CE1 2.78Å; C474-H487 PolarHBondContact SG-NE2 2.86Å; F478-H487 HydrophobicContact CD1-CB 4.23Å; F478-H487 HydrophobicContact CE1-CB 3.52Å; F478-H487 AromaticContact CE1-CG 3.7Å; F478-H487 HydrophobicContact CE2-CB 4Å; F478-H487 AromaticContact CE2-CD2 3.33Å; F478-H487 WeakPolarHBondContact CE2-CD2 3.48Å; F478-H487 AromaticContact CE2-CG 3.54Å; F478-H487 AromaticContact CE2-NE2 3.77Å; F478-H487 HydrophobicContact CZ-CB 3.42Å; F478-H487 VanDerWaalsContact CZ-CB 3.42Å; F478-H487 AromaticContact CZ-CD2 3.36Å; F478-H487 WeakPolarHBondContact CZ-CD2 3.47Å; F478-H487 AromaticContact CZ-CE1 3.74Å; F478-H487 AromaticContact CZ-CG 3.04Å; F478-H487 AromaticContact CZ-ND1 3.33Å; F478-H487 VanDerWaalsContact CZ-ND1 3.33Å; F478-H487 WeakPolarHBondContact CZ-ND1 3.45Å; F478-H487 AromaticContact CZ-NE2 3.77Å; R483-H487 VanDerWaalsContact O-CB 3.26Å; R483-H487 WeakPolarHBondContact O-CB 3.3Å; R483-H487 PolarHBondContact O-N 3.49Å; L484-H487 CarbonylContact O-C 3.5Å; L484-H487 WeakPolarHBondContact O-CB 3.45Å; L484-H487 PolarHBondContact O-N 3.09Å; D485-H487 PolarHBondContact O-N 3.08Å; H487-R489 VanDerWaalsContact C-N 3.34Å; H487-R489 PolarHBondContact O-N 3.33Å; H487-A490 PolarHBondContact O-N 2.98Å; H487-A490 VanDerWaalsContact O-N 3.09Å; H487-R491 WeakPolarHBondContact O-CB 3.44Å; H487-R491 PolarHBondContact O-N 3.15Å; H487-H492 AromaticContact NE2-CD2 3.7Å; H487-H492 AromaticContact NE2-NE2 3.6Å
488	Y	68.4	Low	64.3	Low	88 Å²	88	83.3 Å²	83.3	35%	0.345	42%	0.421	S	S	.	.	H	α-helix	trans	-62.8	-43.5	-179.3	-160.3	-82	0	0	0	110.1	A473 L484 D485 A490 H492 G493	A473-Y488 HydrophobicContact CB-CE2 4.33Å; L484-Y488 WeakPolarHBondContact O-CB 3.31Å; L484-Y488 PolarHBondContact O-N 2.89Å; D485-Y488 PolarHBondContact O-N 3.47Å; Y488-A490 VanDerWaalsContact C-N 3.32Å; Y488-A490 PolarHBondContact O-N 2.98Å; Y488-H492 HydrophobicContact CD1-CB 4Å; Y488-H492 HydrophobicContact CD2-CB 4.2Å; Y488-H492 HydrophobicContact CE1-CB 3.99Å; Y488-H492 HydrophobicContact CE2-CB 4.19Å; Y488-H492 HydrophobicContact CG-CB 4.1Å; Y488-H492 CarbonylContact O-C 3.47Å; Y488-H492 WeakPolarHBondContact O-CA 3.32Å; Y488-H492 VanDerWaalsContact O-CB 3.26Å; Y488-H492 WeakPolarHBondContact O-CB 3.19Å; Y488-H492 PolarHBondContact O-N 3.19Å; Y488-G493 PolarHBondContact O-N 3.34Å; Y488-G493 VanDerWaalsContact O-N 3.11Å
489	R	70.2	Confident	63.9	Low	169 Å²	169	84.6 Å²	84.6	64%	0.638	43%	0.427	S	S	*	.	H	α-helix	trans	-65	-31.2	173.1	-66.1	176.2	-162.9	166.5	5.4	113.7	D485 H487 G493	D485-R489 VanDerWaalsContact CG-CZ 3.46Å; D485-R489 WeakPolarHBondContact O-CG 3.42Å; D485-R489 PolarHBondContact O-N 2.97Å; D485-R489 IonicContact OD1-CZ 3.05Å; D485-R489 IonicContact OD1-NE 2.63Å; D485-R489 PolarHBondContact OD1-NE 2.79Å; D485-R489 IonicContact OD1-NH2 3.15Å; D485-R489 PolarHBondContact OD1-NH2 3.27Å; D485-R489 IonicContact OD2-CZ 2.66Å; D485-R489 IonicContact OD2-NE 3.33Å; D485-R489 IonicContact OD2-NH1 3.1Å; D485-R489 IonicContact OD2-NH2 2.66Å; D485-R489 PolarHBondContact OD2-NH2 2.91Å; H487-R489 VanDerWaalsContact C-N 3.34Å; H487-R489 PolarHBondContact O-N 3.33Å; R489-G493 VanDerWaalsContact O-CA 3.27Å; R489-G493 WeakPolarHBondContact O-CA 3.26Å; R489-G493 PolarHBondContact O-N 3.48Å
490	A	68.3	Low	64.1	Low	79 Å²	79	86.7 Å²	86.7	65%	0.653	44%	0.439	S	S	*	.	H	α-helix	trans	-90.8	-30.3	-175.6	0	0	0	0	0	115.1	V486 H487 Y488	V486-A490 VanDerWaalsContact O-CB 3.25Å; V486-A490 WeakPolarHBondContact O-CB 3.35Å; V486-A490 PolarHBondContact O-N 3.07Å; H487-A490 PolarHBondContact O-N 2.98Å; H487-A490 VanDerWaalsContact O-N 3.09Å; Y488-A490 VanDerWaalsContact C-N 3.32Å; Y488-A490 PolarHBondContact O-N 2.98Å
491	R	65	Low	64.5	Low	174 Å²	174	84.9 Å²	84.9	66%	0.657	43%	0.43	S	S	*	.	H	α-helix	trans	-112.3	-27.9	-177.3	-78	-81.5	-178.7	87.5	-1.9	113.1	H487	H487-R491 WeakPolarHBondContact O-CB 3.44Å; H487-R491 PolarHBondContact O-N 3.15Å
492	H	69.1	Low	64.4	Low	14 Å²	14	87.2 Å²	87.2	7%	0.065	44%	0.444	C	S	.	.	S	Bend	trans	-111.2	18	173.6	-57.5	-67.8	0	0	0	111.3	C471 A473 C474 H487 Y488 D494 L495 G496	C471-H492 VanDerWaalsContact SG-CD2 3.54Å; C471-H492 PolarHBondContact SG-NE2 3.4Å; C471-H492 VanDerWaalsContact SG-NE2 3.45Å; A473-H492 VanDerWaalsContact C-CE1 3.47Å; A473-H492 WeakPolarHBondContact CB-CE1 3.47Å; A473-H492 WeakPolarHBondContact CB-ND1 3.31Å; C474-H492 PolarHBondContact SG-NE2 3.1Å; H487-H492 AromaticContact NE2-CD2 3.7Å; H487-H492 AromaticContact NE2-NE2 3.6Å; Y488-H492 HydrophobicContact CD1-CB 4Å; Y488-H492 HydrophobicContact CD2-CB 4.2Å; Y488-H492 HydrophobicContact CE1-CB 3.99Å; Y488-H492 HydrophobicContact CE2-CB 4.19Å; Y488-H492 HydrophobicContact CG-CB 4.1Å; Y488-H492 CarbonylContact O-C 3.47Å; Y488-H492 WeakPolarHBondContact O-CA 3.32Å; Y488-H492 VanDerWaalsContact O-CB 3.26Å; Y488-H492 WeakPolarHBondContact O-CB 3.19Å; Y488-H492 PolarHBondContact O-N 3.19Å; H492-D494 VanDerWaalsContact C-N 3.26Å; H492-D494 PolarHBondContact O-N 3.47Å; H492-L495 HydrophobicContact CB-CB 4.29Å; H492-L495 CarbonylContact O-C 3.57Å; H492-L495 WeakPolarHBondContact O-CA 3.44Å; H492-L495 WeakPolarHBondContact O-CB 3.32Å; H492-L495 PolarHBondContact O-N 3.42Å; H492-G496 VanDerWaalsContact O-CA 3.24Å; H492-G496 WeakPolarHBondContact O-CA 3.37Å; H492-G496 PolarHBondContact O-N 2.76Å
493	G	54.6	Low	64.1	Low	36 Å²	36	87.3 Å²	87.3	37%	0.371	44%	0.437	S	S	.	.	S	Bend	trans	-64.8	-25.8	173.6	0	0	0	0	0	113.9	Y488 R489 G496	Y488-G493 PolarHBondContact O-N 3.34Å; Y488-G493 VanDerWaalsContact O-N 3.11Å; R489-G493 VanDerWaalsContact O-CA 3.27Å; R489-G493 WeakPolarHBondContact O-CA 3.26Å; R489-G493 PolarHBondContact O-N 3.48Å; G493-G496 WeakPolarHBondContact O-CA 3.33Å; G493-G496 PolarHBondContact O-N 3.31Å; G493-G496 VanDerWaalsContact O-N 3.08Å
494	D	53.7	Low	64.2	Low	155 Å²	155	84.4 Å²	84.4	83%	0.829	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-17.6	170.8	-72.3	-48.9	0	0	0	113.3	H492	H492-D494 VanDerWaalsContact C-N 3.26Å; H492-D494 PolarHBondContact O-N 3.47Å
495	L	51.6	Low	63.6	Low	132 Å²	132	88.9 Å²	88.9	69%	0.691	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	18.4	157.9	-73.9	154.6	0	0	0	110.6	H492	H492-L495 HydrophobicContact CB-CB 4.29Å; H492-L495 CarbonylContact O-C 3.57Å; H492-L495 WeakPolarHBondContact O-CA 3.44Å; H492-L495 WeakPolarHBondContact O-CB 3.32Å; H492-L495 PolarHBondContact O-N 3.42Å
496	G	46.5	Very low	63.5	Low	22 Å²	22	91.2 Å²	91.2	23%	0.227	47%	0.47	C	S	.	.			trans	-82.4	154.4	-154.1	0	0	0	0	0	115.2	H492 G493 R498	H492-G496 VanDerWaalsContact O-CA 3.24Å; H492-G496 WeakPolarHBondContact O-CA 3.37Å; H492-G496 PolarHBondContact O-N 2.76Å; G493-G496 WeakPolarHBondContact O-CA 3.33Å; G493-G496 PolarHBondContact O-N 3.31Å; G493-G496 VanDerWaalsContact O-N 3.08Å; G496-R498 PolarHBondContact O-N 3.41Å
497	Y	50	Low	63.4	Low	185 Å²	185	91.4 Å²	91.4	73%	0.725	47%	0.466	S	S	*	.			trans	-42.2	102.8	174.2	-172.8	-94.9	0	0	0	112.4	F499	Y497-F499 HydrophobicContact CD1-CD1 4.45Å; Y497-F499 HydrophobicContact CD1-CE1 4.22Å; Y497-F499 HydrophobicContact CD1-CE2 4.48Å; Y497-F499 HydrophobicContact CD1-CZ 4.23Å; Y497-F499 AromaticContact CE1-CD1 3.88Å; Y497-F499 HydrophobicContact CE1-CD1 3.88Å; Y497-F499 AromaticContact CE1-CE1 3.72Å; Y497-F499 HydrophobicContact CE1-CE1 3.72Å; Y497-F499 HydrophobicContact CE1-CG 4.47Å; Y497-F499 HydrophobicContact CE1-CZ 4.17Å
498	R	53.4	Low	63.3	Low	139 Å²	139	92.2 Å²	92.2	53%	0.525	47%	0.469	S	S	.	.			trans	-84.9	129.7	173	-83.9	163.4	147.3	149.4	-3.9	109.1	G496 P500 M507 F508	G496-R498 PolarHBondContact O-N 3.41Å; R498-P500 WeakPolarHBondContact O-CD 3.26Å; R498-M507 HydrophobicContact CB-CB 3.84Å; R498-M507 HydrophobicContact CB-CG 4.02Å; R498-M507 HydrophobicContact CB-SD 3.87Å; R498-M507 HydrophobicContact CG-CB 4.08Å; R498-M507 HydrophobicContact CG-SD 4.43Å; R498-F508 CarbonylContact C-O 3.53Å; R498-F508 WeakPolarHBondContact CA-O 3.36Å
499	F	62.5	Low	63.3	Low	58 Å²	58	97 Å²	97	25%	0.254	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	109.1	173	-65	-85.2	0	0	0	109.4	Y497 F508 K511 L514	Y497-F499 HydrophobicContact CD1-CD1 4.45Å; Y497-F499 HydrophobicContact CD1-CE1 4.22Å; Y497-F499 HydrophobicContact CD1-CE2 4.48Å; Y497-F499 HydrophobicContact CD1-CZ 4.23Å; Y497-F499 AromaticContact CE1-CD1 3.88Å; Y497-F499 HydrophobicContact CE1-CD1 3.88Å; Y497-F499 AromaticContact CE1-CE1 3.72Å; Y497-F499 HydrophobicContact CE1-CE1 3.72Å; Y497-F499 HydrophobicContact CE1-CG 4.47Å; Y497-F499 HydrophobicContact CE1-CZ 4.17Å; F499-F508 HydrophobicContact CB-CB 4.41Å; F499-F508 PolarHBondContact N-O 3.46Å; F499-F508 PolarHBondContact O-N 3.44Å; F499-K511 HydrophobicContact CE1-CB 4.33Å; F499-K511 HydrophobicContact CE2-CB 4.37Å; F499-K511 HydrophobicContact CZ-CB 4.15Å; F499-L514 HydrophobicContact CB-CB 4.28Å; F499-L514 HydrophobicContact CB-CD2 3.93Å
500	P	65.3	Low	63.4	Low	85 Å²	85	91.7 Å²	91.7	55%	0.552	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	143.8	179.2	32.2	-34.7	0	0	0	110.3	R498	R498-P500 WeakPolarHBondContact O-CD 3.26Å
501	C	71.2	Confident	63.6	Low	10 Å²	10	94.7 Å²	94.7	7%	0.068	47%	0.472	C	S	.	.			trans	-73.9	135.1	165.9	-171.5	0	0	0	0	111	F503 C504 E506 F508 L514 H517 H521	C501-F503 PolarHBondContact O-N 3.13Å; C501-F503 VanDerWaalsContact O-N 3.13Å; C501-F503 PolarHBondContact SG-N 3.44Å; C501-F503 VanDerWaalsContact SG-N 3.41Å; C501-C504 WeakPolarHBondContact CB-O 3.5Å; C501-E506 PolarHBondContact N-O 3.03Å; C501-F508 HydrophobicContact CB-CE2 4.48Å; C501-L514 HydrophobicContact CB-CD1 4.02Å; C501-H517 WeakPolarHBondContact CB-NE2 3.45Å; C501-H517 PolarHBondContact SG-CD2 3.42Å; C501-H517 PolarHBondContact SG-NE2 3.27Å; C501-H517 VanDerWaalsContact SG-NE2 3.38Å; C501-H521 PolarHBondContact SG-CD2 2.98Å; C501-H521 PolarHBondContact SG-NE2 2.81Å; C501-H521 VanDerWaalsContact SG-NE2 3.42Å
502	S	69	Low	64.3	Low	95 Å²	95	92.4 Å²	92.4	66%	0.664	47%	0.468	S	S	*	.	S	Bend	trans	-69.3	-3.8	174.1	52.5	0	0	0	0	114.4
503	F	64.2	Low	64.6	Low	97 Å²	97	94.6 Å²	94.6	43%	0.425	48%	0.48	S	S	.	.	S	Bend	trans	-126.9	-9.5	-173.7	-53.4	-48.3	0	0	0	114.7	C501 V518 H521	C501-F503 PolarHBondContact O-N 3.13Å; C501-F503 VanDerWaalsContact O-N 3.13Å; C501-F503 PolarHBondContact SG-N 3.44Å; C501-F503 VanDerWaalsContact SG-N 3.41Å; F503-V518 HydrophobicContact CE2-CG1 4.37Å; F503-H521 HydrophobicContact CB-CB 3.98Å; F503-H521 VanDerWaalsContact CB-CG 3.48Å; F503-H521 WeakPolarHBondContact CB-ND1 3.26Å; F503-H521 HydrophobicContact CD2-CB 3.44Å; F503-H521 VanDerWaalsContact CD2-CB 3.44Å; F503-H521 AromaticContact CD2-CG 3.78Å; F503-H521 HydrophobicContact CE2-CB 4.3Å; F503-H521 HydrophobicContact CG-CB 4.03Å
504	C	70.7	Confident	65.7	Low	37 Å²	37	94.5 Å²	94.5	25%	0.25	47%	0.471	C	S	.	.	S	Bend	trans	-159.5	168.7	173.1	77.8	0	0	0	0	110.9	C501 E506 H517 H521	C501-C504 WeakPolarHBondContact CB-O 3.5Å; C504-E506 PolarHBondContact O-N 2.94Å; C504-E506 VanDerWaalsContact O-N 3.09Å; C504-H517 PolarHBondContact SG-CE1 3.49Å; C504-H517 PolarHBondContact SG-NE2 2.95Å; C504-H521 VanDerWaalsContact SG-CE1 3.58Å; C504-H521 PolarHBondContact SG-NE2 3.37Å
505	P	65.1	Low	66.7	Low	120 Å²	120	89.9 Å²	89.9	78%	0.779	45%	0.454	S	S	*	.	S	Bend	trans	-74	5.2	-175.6	31.2	-36.4	0	0	0	115
506	E	66	Low	67.8	Low	108 Å²	108	89.8 Å²	89.8	51%	0.505	45%	0.448	S	S	.	.			trans	-66.2	141.1	179.6	-70.5	-60.4	150.5	0	0	112.2	C501 C504 F508	C501-E506 PolarHBondContact N-O 3.03Å; C504-E506 PolarHBondContact O-N 2.94Å; C504-E506 VanDerWaalsContact O-N 3.09Å; E506-F508 HydrophobicContact CB-CE2 3.52Å; E506-F508 HydrophobicContact CB-CZ 3.66Å; E506-F508 HydrophobicContact CG-CZ 4.45Å
507	M	71.4	Confident	69.2	Low	97 Å²	97	89.7 Å²	89.7	48%	0.478	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	107.1	-166.8	-90.8	-164.7	-63.2	0	0	111	R498	R498-M507 HydrophobicContact CB-CB 3.84Å; R498-M507 HydrophobicContact CB-CG 4.02Å; R498-M507 HydrophobicContact CB-SD 3.87Å; R498-M507 HydrophobicContact CG-CB 4.08Å; R498-M507 HydrophobicContact CG-SD 4.43Å
508	F	74	Confident	70.2	Confident	36 Å²	36	82.8 Å²	82.8	16%	0.158	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	143.1	-170.3	-63.6	-83.5	0	0	0	112.2	R498 F499 C501 E506 V510 D513 L514 H517	R498-F508 CarbonylContact C-O 3.53Å; R498-F508 WeakPolarHBondContact CA-O 3.36Å; F499-F508 HydrophobicContact CB-CB 4.41Å; F499-F508 PolarHBondContact N-O 3.46Å; F499-F508 PolarHBondContact O-N 3.44Å; C501-F508 HydrophobicContact CB-CE2 4.48Å; E506-F508 HydrophobicContact CB-CE2 3.52Å; E506-F508 HydrophobicContact CB-CZ 3.66Å; E506-F508 HydrophobicContact CG-CZ 4.45Å; F508-V510 VanDerWaalsContact C-N 3.34Å; F508-D513 HydrophobicContact CB-CB 4.4Å; F508-D513 HydrophobicContact CD1-CB 3.79Å; F508-D513 HydrophobicContact CG-CB 4.42Å; F508-L514 HydrophobicContact CB-CB 4.07Å; F508-L514 HydrophobicContact CD2-CB 4.06Å; F508-L514 HydrophobicContact CD2-CD1 3.89Å; F508-L514 HydrophobicContact CE2-CD1 4.36Å; F508-L514 HydrophobicContact CG-CB 4.13Å; F508-H517 HydrophobicContact CD1-CB 4.46Å; F508-H517 HydrophobicContact CD2-CB 4.45Å; F508-H517 HydrophobicContact CE1-CB 3.75Å; F508-H517 AromaticContact CE1-CG 3.99Å; F508-H517 HydrophobicContact CE2-CB 3.74Å; F508-H517 AromaticContact CE2-CD2 3.25Å; F508-H517 WeakPolarHBondContact CE2-CD2 3.33Å; F508-H517 AromaticContact CE2-CG 3.36Å; F508-H517 AromaticContact CE2-ND1 3.87Å; F508-H517 AromaticContact CE2-NE2 3.7Å; F508-H517 HydrophobicContact CZ-CB 3.38Å; F508-H517 AromaticContact CZ-CD2 3.54Å; F508-H517 AromaticContact CZ-CE1 3.77Å; F508-H517 AromaticContact CZ-CG 3.11Å; F508-H517 AromaticContact CZ-ND1 3.31Å; F508-H517 VanDerWaalsContact CZ-ND1 3.31Å; F508-H517 WeakPolarHBondContact CZ-ND1 3.31Å; F508-H517 AromaticContact CZ-NE2 3.92Å
509	R	67.6	Low	71	Confident	189 Å²	189	80.1 Å²	80.1	71%	0.713	42%	0.415	S	S	*	.	S	Bend	trans	-76.6	-22.9	175	-59.6	-173.8	-173.8	-148.2	3.6	112.6
510	V	72.1	Confident	71.1	Confident	57 Å²	57	83.9 Å²	83.9	35%	0.345	44%	0.436	S	S	.	.	S	Bend	trans	-133.6	144	-173.5	-167.4	0	0	0	0	110.3	F508 E512 D513 L514	F508-V510 VanDerWaalsContact C-N 3.34Å; V510-E512 VanDerWaalsContact C-N 3.33Å; V510-E512 HydrophobicContact CG1-CB 4.4Å; V510-E512 WeakPolarHBondContact CG1-OE2 3.49Å; V510-E512 PolarHBondContact O-N 3.17Å; V510-D513 PolarHBondContact O-N 2.65Å; V510-L514 PolarHBondContact O-N 3.04Å; V510-L514 VanDerWaalsContact O-N 3.15Å
511	K	72.9	Confident	71.1	Confident	143 Å²	143	81.6 Å²	81.6	62%	0.622	42%	0.418	S	S	*	.	H	α-helix	trans	-64.8	-33.6	179.3	-172	177.2	178.9	178.5	0	112.8	F499 D513 L514 A515	F499-K511 HydrophobicContact CE1-CB 4.33Å; F499-K511 HydrophobicContact CE2-CB 4.37Å; F499-K511 HydrophobicContact CZ-CB 4.15Å; K511-D513 VanDerWaalsContact C-N 3.33Å; K511-L514 PolarHBondContact O-N 3.42Å; K511-A515 PolarHBondContact O-N 3.42Å
512	E	78.8	Confident	70.7	Confident	125 Å²	125	81.3 Å²	81.3	58%	0.584	42%	0.417	S	S	*	.	H	α-helix	trans	-62.9	-37.8	172.8	-68.6	87.4	-116.5	0	0	112.4	V510 A515 K516	V510-E512 VanDerWaalsContact C-N 3.33Å; V510-E512 HydrophobicContact CG1-CB 4.4Å; V510-E512 WeakPolarHBondContact CG1-OE2 3.49Å; V510-E512 PolarHBondContact O-N 3.17Å; E512-A515 WeakPolarHBondContact O-CB 3.46Å; E512-A515 PolarHBondContact O-N 3.13Å; E512-K516 WeakPolarHBondContact O-CG 3.36Å; E512-K516 PolarHBondContact O-N 3.44Å
513	D	76.6	Confident	70.6	Confident	60 Å²	60	82.8 Å²	82.8	32%	0.321	41%	0.413	S	S	.	.	H	α-helix	trans	-74	-35.7	179.6	-62.9	-32.4	0	0	0	111.7	F508 V510 K511 A515 K516 H517	F508-D513 HydrophobicContact CB-CB 4.4Å; F508-D513 HydrophobicContact CD1-CB 3.79Å; F508-D513 HydrophobicContact CG-CB 4.42Å; V510-D513 PolarHBondContact O-N 2.65Å; K511-D513 VanDerWaalsContact C-N 3.33Å; D513-A515 VanDerWaalsContact C-N 3.3Å; D513-A515 PolarHBondContact O-N 2.94Å; D513-K516 PolarHBondContact O-N 3.18Å; D513-K516 IonicContact OD1-NZ 2.7Å; D513-K516 PolarHBondContact OD1-NZ 3.03Å; D513-H517 VanDerWaalsContact O-CB 3.23Å; D513-H517 WeakPolarHBondContact O-CB 3.49Å; D513-H517 PolarHBondContact O-N 2.8Å
514	L	78.1	Confident	70.8	Confident	34 Å²	34	81.4 Å²	81.4	18%	0.178	41%	0.405	C	S	.	.	H	α-helix	trans	-58.1	-43.4	165.3	174	63	0	0	0	110.9	F499 C501 F508 V510 K511 H517 V518	F499-L514 HydrophobicContact CB-CB 4.28Å; F499-L514 HydrophobicContact CB-CD2 3.93Å; C501-L514 HydrophobicContact CB-CD1 4.02Å; F508-L514 HydrophobicContact CB-CB 4.07Å; F508-L514 HydrophobicContact CD2-CB 4.06Å; F508-L514 HydrophobicContact CD2-CD1 3.89Å; F508-L514 HydrophobicContact CE2-CD1 4.36Å; F508-L514 HydrophobicContact CG-CB 4.13Å; V510-L514 PolarHBondContact O-N 3.04Å; V510-L514 VanDerWaalsContact O-N 3.15Å; K511-L514 PolarHBondContact O-N 3.42Å; L514-H517 CarbonylContact O-C 3.57Å; L514-H517 PolarHBondContact O-N 3.03Å; L514-V518 HydrophobicContact CD1-CG2 3.8Å; L514-V518 HydrophobicContact CG-CG2 4.2Å; L514-V518 WeakPolarHBondContact O-CB 3.38Å; L514-V518 VanDerWaalsContact O-CG2 3.29Å; L514-V518 WeakPolarHBondContact O-CG2 3.2Å; L514-V518 PolarHBondContact O-N 3.11Å
515	A	73.7	Confident	70.8	Confident	58 Å²	58	86.9 Å²	86.9	48%	0.479	42%	0.421	S	S	.	.	H	α-helix	trans	-63.3	-44.9	179.8	0	0	0	0	0	112.2	K511 E512 D513 H517 V518 L519	K511-A515 PolarHBondContact O-N 3.42Å; E512-A515 WeakPolarHBondContact O-CB 3.46Å; E512-A515 PolarHBondContact O-N 3.13Å; D513-A515 VanDerWaalsContact C-N 3.3Å; D513-A515 PolarHBondContact O-N 2.94Å; A515-H517 VanDerWaalsContact C-N 3.32Å; A515-H517 PolarHBondContact O-N 3.34Å; A515-V518 PolarHBondContact O-N 3.28Å; A515-L519 PolarHBondContact O-N 3.45Å
516	K	74.7	Confident	71.4	Confident	130 Å²	130	81.2 Å²	81.2	57%	0.565	38%	0.384	S	S	*	.	H	α-helix	trans	-59.4	-42.7	172.4	-66.5	168.9	-162.8	157.5	0	111.5	E512 D513 L519	E512-K516 WeakPolarHBondContact O-CG 3.36Å; E512-K516 PolarHBondContact O-N 3.44Å; D513-K516 PolarHBondContact O-N 3.18Å; D513-K516 IonicContact OD1-NZ 2.7Å; D513-K516 PolarHBondContact OD1-NZ 3.03Å; K516-L519 WeakPolarHBondContact O-CB 3.24Å; K516-L519 PolarHBondContact O-N 3.17Å
517	H	76.2	Confident	71.7	Confident	21 Å²	21	83 Å²	83	10%	0.097	40%	0.397	C	S	.	.	H	α-helix	trans	-68.6	-35.7	178.8	171.5	82.4	0	0	0	113.2	C501 C504 F508 D513 L514 A515 L519 I520 H521	C501-H517 WeakPolarHBondContact CB-NE2 3.45Å; C501-H517 PolarHBondContact SG-CD2 3.42Å; C501-H517 PolarHBondContact SG-NE2 3.27Å; C501-H517 VanDerWaalsContact SG-NE2 3.38Å; C504-H517 PolarHBondContact SG-CE1 3.49Å; C504-H517 PolarHBondContact SG-NE2 2.95Å; F508-H517 HydrophobicContact CD1-CB 4.46Å; F508-H517 HydrophobicContact CD2-CB 4.45Å; F508-H517 HydrophobicContact CE1-CB 3.75Å; F508-H517 AromaticContact CE1-CG 3.99Å; F508-H517 HydrophobicContact CE2-CB 3.74Å; F508-H517 AromaticContact CE2-CD2 3.25Å; F508-H517 WeakPolarHBondContact CE2-CD2 3.33Å; F508-H517 AromaticContact CE2-CG 3.36Å; F508-H517 AromaticContact CE2-ND1 3.87Å; F508-H517 AromaticContact CE2-NE2 3.7Å; F508-H517 HydrophobicContact CZ-CB 3.38Å; F508-H517 AromaticContact CZ-CD2 3.54Å; F508-H517 AromaticContact CZ-CE1 3.77Å; F508-H517 AromaticContact CZ-CG 3.11Å; F508-H517 AromaticContact CZ-ND1 3.31Å; F508-H517 VanDerWaalsContact CZ-ND1 3.31Å; F508-H517 WeakPolarHBondContact CZ-ND1 3.31Å; F508-H517 AromaticContact CZ-NE2 3.92Å; D513-H517 VanDerWaalsContact O-CB 3.23Å; D513-H517 WeakPolarHBondContact O-CB 3.49Å; D513-H517 PolarHBondContact O-N 2.8Å; L514-H517 CarbonylContact O-C 3.57Å; L514-H517 PolarHBondContact O-N 3.03Å; A515-H517 VanDerWaalsContact C-N 3.32Å; A515-H517 PolarHBondContact O-N 3.34Å; H517-L519 PolarHBondContact O-N 2.98Å; H517-I520 WeakPolarHBondContact O-CA 3.47Å; H517-I520 WeakPolarHBondContact O-CB 3.22Å; H517-I520 WeakPolarHBondContact O-CG1 3.36Å; H517-I520 PolarHBondContact O-N 3.27Å; H517-H521 AromaticContact CD2-CD2 3.75Å; H517-H521 AromaticContact CD2-NE2 3.72Å; H517-H521 AromaticContact CE1-NE2 3.36Å; H517-H521 PolarHBondContact CE1-NE2 3.38Å; H517-H521 AromaticContact NE2-CD2 3.41Å; H517-H521 PolarHBondContact NE2-CD2 3.41Å; H517-H521 AromaticContact NE2-NE2 2.89Å; H517-H521 PolarHBondContact NE2-NE2 3.26Å; H517-H521 PolarHBondContact O-N 3.18Å
518	V	71.1	Confident	71.7	Confident	40 Å²	40	83.2 Å²	83.2	24%	0.242	40%	0.4	C	S	.	.	H	α-helix	trans	-63.6	-23.5	174.9	167.7	0	0	0	0	112	F503 L514 A515 I520 H521 G522	F503-V518 HydrophobicContact CE2-CG1 4.37Å; L514-V518 HydrophobicContact CD1-CG2 3.8Å; L514-V518 HydrophobicContact CG-CG2 4.2Å; L514-V518 WeakPolarHBondContact O-CB 3.38Å; L514-V518 VanDerWaalsContact O-CG2 3.29Å; L514-V518 WeakPolarHBondContact O-CG2 3.2Å; L514-V518 PolarHBondContact O-N 3.11Å; A515-V518 PolarHBondContact O-N 3.28Å; V518-I520 VanDerWaalsContact C-N 3.31Å; V518-I520 PolarHBondContact O-N 3.47Å; V518-H521 CarbonylContact O-C 3.56Å; V518-H521 PolarHBondContact O-N 2.85Å; V518-G522 PolarHBondContact O-N 2.78Å
519	L	69.1	Low	71.6	Confident	83 Å²	83	84.3 Å²	84.3	44%	0.435	41%	0.412	S	S	.	.	H	α-helix	trans	-65.5	-32	169.3	-59.2	172.1	0	0	0	112.4	A515 K516 H517 H521 G522 A534	A515-L519 PolarHBondContact O-N 3.45Å; K516-L519 WeakPolarHBondContact O-CB 3.24Å; K516-L519 PolarHBondContact O-N 3.17Å; H517-L519 PolarHBondContact O-N 2.98Å; L519-H521 VanDerWaalsContact C-N 3.25Å; L519-H521 PolarHBondContact O-N 3.09Å; L519-G522 WeakPolarHBondContact O-CA 3.43Å; L519-G522 PolarHBondContact O-N 3.15Å; L519-A534 VanDerWaalsContact O-CB 3.3Å; L519-A534 WeakPolarHBondContact O-CB 3.36Å
520	I	65.8	Low	71.8	Confident	137 Å²	137	77 Å²	77	70%	0.703	39%	0.394	S	S	*	.	H	α-helix	trans	-63	-36.9	173.5	-51.2	175.9	0	0	0	110.1	H517 V518 G522	H517-I520 WeakPolarHBondContact O-CA 3.47Å; H517-I520 WeakPolarHBondContact O-CB 3.22Å; H517-I520 WeakPolarHBondContact O-CG1 3.36Å; H517-I520 PolarHBondContact O-N 3.27Å; V518-I520 VanDerWaalsContact C-N 3.31Å; V518-I520 PolarHBondContact O-N 3.47Å; I520-G522 PolarHBondContact O-N 3.3Å
521	H	64.4	Low	71.9	Confident	36 Å²	36	81.9 Å²	81.9	17%	0.167	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-0.1	173.9	-66.6	-64.6	0	0	0	114.8	C501 F503 C504 H517 V518 L519 R532	C501-H521 PolarHBondContact SG-CD2 2.98Å; C501-H521 PolarHBondContact SG-NE2 2.81Å; C501-H521 VanDerWaalsContact SG-NE2 3.42Å; F503-H521 HydrophobicContact CB-CB 3.98Å; F503-H521 VanDerWaalsContact CB-CG 3.48Å; F503-H521 WeakPolarHBondContact CB-ND1 3.26Å; F503-H521 HydrophobicContact CD2-CB 3.44Å; F503-H521 VanDerWaalsContact CD2-CB 3.44Å; F503-H521 AromaticContact CD2-CG 3.78Å; F503-H521 HydrophobicContact CE2-CB 4.3Å; F503-H521 HydrophobicContact CG-CB 4.03Å; C504-H521 VanDerWaalsContact SG-CE1 3.58Å; C504-H521 PolarHBondContact SG-NE2 3.37Å; H517-H521 AromaticContact CD2-CD2 3.75Å; H517-H521 AromaticContact CD2-NE2 3.72Å; H517-H521 AromaticContact CE1-NE2 3.36Å; H517-H521 PolarHBondContact CE1-NE2 3.38Å; H517-H521 AromaticContact NE2-CD2 3.41Å; H517-H521 PolarHBondContact NE2-CD2 3.41Å; H517-H521 AromaticContact NE2-NE2 2.89Å; H517-H521 PolarHBondContact NE2-NE2 3.26Å; H517-H521 PolarHBondContact O-N 3.18Å; V518-H521 CarbonylContact O-C 3.56Å; V518-H521 PolarHBondContact O-N 2.85Å; L519-H521 VanDerWaalsContact C-N 3.25Å; L519-H521 PolarHBondContact O-N 3.09Å; H521-R532 WeakPolarHBondContact O-CB 3.4Å; H521-R532 VanDerWaalsContact O-CD 3.24Å; H521-R532 WeakPolarHBondContact O-CD 3.45Å; H521-R532 WeakPolarHBondContact O-CG 3.1Å; H521-R532 PolarHBondContact O-NH1 3.32Å
522	G	63.4	Low	72	Confident	4 Å²	4	79.7 Å²	79.7	4%	0.041	40%	0.395	C	S	.	.			trans	64	110.8	-179.3	0	0	0	0	0	114.2	V518 L519 I520 W524 F533	V518-G522 PolarHBondContact O-N 2.78Å; L519-G522 WeakPolarHBondContact O-CA 3.43Å; L519-G522 PolarHBondContact O-N 3.15Å; I520-G522 PolarHBondContact O-N 3.3Å; G522-W524 PolarHBondContact O-N 2.98Å; G522-F533 CarbonylContact C-O 3.51Å; G522-F533 VanDerWaalsContact C-O 3.27Å; G522-F533 WeakPolarHBondContact CA-O 3.19Å
523	Q	67.4	Low	71.8	Confident	127 Å²	127	75.7 Å²	75.7	59%	0.593	38%	0.375	S	S	*	.	S	Bend	trans	-55.2	-32.8	173.5	-177.5	179.8	12.2	0	0	112.5	F533	Q523-F533 PolarHBondContact N-O 3.42Å; Q523-F533 VanDerWaalsContact N-O 3.17Å
524	W	66.9	Low	71.5	Confident	68 Å²	68	75.5 Å²	75.5	26%	0.258	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	103.1	-171.7	-56.7	90.8	0	0	0	111.5	G522 R532 F533 Q536 F539	G522-W524 PolarHBondContact O-N 2.98Å; W524-R532 CarbonylContact O-C 3.56Å; W524-R532 WeakPolarHBondContact O-CA 3.12Å; W524-F533 HydrophobicContact CB-CB 4.34Å; W524-F533 PolarHBondContact N-O 3.02Å; W524-F533 PolarHBondContact O-N 3.22Å; W524-Q536 HydrophobicContact CD2-CB 4.25Å; W524-Q536 HydrophobicContact CD2-CG 4.26Å; W524-Q536 HydrophobicContact CE3-CG 4.39Å; W524-Q536 HydrophobicContact CH2-CB 4.35Å; W524-Q536 HydrophobicContact CH2-CG 3.76Å; W524-Q536 HydrophobicContact CZ2-CB 3.67Å; W524-Q536 HydrophobicContact CZ2-CG 3.6Å; W524-Q536 HydrophobicContact CZ3-CG 4.15Å; W524-F539 HydrophobicContact CB-CB 3.52Å; W524-F539 HydrophobicContact CB-CD1 3.99Å; W524-F539 HydrophobicContact CB-CD2 3.66Å; W524-F539 HydrophobicContact CB-CE2 4.32Å; W524-F539 HydrophobicContact CB-CG 3.46Å; W524-F539 VanDerWaalsContact CB-CG 3.46Å; W524-F539 HydrophobicContact CD2-CD1 4.1Å; W524-F539 HydrophobicContact CD2-CG 4.4Å; W524-F539 AromaticContact CE3-CD1 3.63Å; W524-F539 HydrophobicContact CE3-CD1 3.63Å; W524-F539 AromaticContact CE3-CE1 3.8Å; W524-F539 HydrophobicContact CE3-CE1 3.8Å; W524-F539 HydrophobicContact CE3-CG 4.32Å; W524-F539 HydrophobicContact CG-CB 3.95Å; W524-F539 HydrophobicContact CG-CD1 4.27Å; W524-F539 HydrophobicContact CG-CG 4.09Å; W524-F539 HydrophobicContact CZ3-CD1 4.46Å; W524-F539 HydrophobicContact CZ3-CE1 4.48Å
525	R	71.6	Confident	71.3	Confident	151 Å²	151	77 Å²	77	57%	0.57	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	126.2	175	-176.6	-174.8	179.7	-162.3	-1.1	110.7	N527 R532 F539	R525-N527 PolarHBondContact O-N 3.03Å; R525-R532 HydrophobicContact CB-CG 4.3Å; R525-R532 HydrophobicContact CG-CG 4.42Å; R525-F539 WeakPolarHBondContact O-CE2 3.49Å
526	C	77.2	Confident	71.5	Confident	1 Å²	1	78.6 Å²	78.6	1%	0.007	39%	0.388	C	S	.	.			trans	-71.6	122.7	165.8	175.4	0	0	0	0	110.5	D528 C529 G530 R531 F533 F539 H542 H546	C526-D528 VanDerWaalsContact C-N 3.31Å; C526-D528 PolarHBondContact SG-N 2.92Å; C526-D528 VanDerWaalsContact SG-N 3.35Å; C526-C529 PolarHBondContact SG-N 3.03Å; C526-C529 VanDerWaalsContact SG-N 3.42Å; C526-C529 VanDerWaalsContact SG-SG 3.68Å; C526-G530 WeakPolarHBondContact O-CA 3.36Å; C526-G530 PolarHBondContact O-N 3.5Å; C526-R531 WeakPolarHBondContact CB-O 3.42Å; C526-R531 PolarHBondContact N-O 3.11Å; C526-F533 HydrophobicContact CB-CE2 4.41Å; C526-F539 HydrophobicContact CB-CE2 4.38Å; C526-H542 WeakPolarHBondContact CB-NE2 3.4Å; C526-H542 PolarHBondContact SG-NE2 3.17Å; C526-H546 PolarHBondContact SG-CD2 3.1Å; C526-H546 PolarHBondContact SG-NE2 3.43Å
527	N	73.1	Confident	71.6	Confident	145 Å²	145	77.3 Å²	77.3	78%	0.775	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-28.9	176.9	-67.2	-20.9	0	0	0	112	R525	R525-N527 PolarHBondContact O-N 3.03Å
528	D	71.2	Confident	71.6	Confident	102 Å²	102	81.6 Å²	81.6	55%	0.545	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-20.8	-173.6	-39.9	-67	0	0	0	113.7	C526 H546	C526-D528 VanDerWaalsContact C-N 3.31Å; C526-D528 PolarHBondContact SG-N 2.92Å; C526-D528 VanDerWaalsContact SG-N 3.35Å; D528-H546 HydrophobicContact CB-CB 3.79Å; D528-H546 VanDerWaalsContact CB-CG 3.47Å; D528-H546 IonicContact OD2-CD2 2.99Å; D528-H546 IonicContact OD2-CG 3.2Å
529	C	72.6	Confident	72	Confident	60 Å²	60	80.8 Å²	80.8	41%	0.405	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.7	8.1	178	77.8	0	0	0	0	116	C526 R531 H542 H546	C526-C529 PolarHBondContact SG-N 3.03Å; C526-C529 VanDerWaalsContact SG-N 3.42Å; C526-C529 VanDerWaalsContact SG-SG 3.68Å; C529-R531 PolarHBondContact O-N 2.86Å; C529-H542 PolarHBondContact SG-CE1 2.89Å; C529-H542 PolarHBondContact SG-NE2 3.37Å; C529-H546 VanDerWaalsContact SG-CE1 3.58Å; C529-H546 PolarHBondContact SG-NE2 2.8Å; C529-H546 VanDerWaalsContact SG-NE2 3.42Å
530	G	71.6	Confident	72.5	Confident	34 Å²	34	81.2 Å²	81.2	35%	0.351	40%	0.398	S	S	.	.			trans	72.1	-9.9	177	0	0	0	0	0	116.6	C526	C526-G530 WeakPolarHBondContact O-CA 3.36Å; C526-G530 PolarHBondContact O-N 3.5Å
531	R	72.9	Confident	72.9	Confident	160 Å²	160	79.4 Å²	79.4	60%	0.604	38%	0.383	S	S	*	.			trans	-60.2	142.2	179.2	-71.5	-174.5	-179.1	-148.1	-2.8	111.9	C526 C529 F533	C526-R531 WeakPolarHBondContact CB-O 3.42Å; C526-R531 PolarHBondContact N-O 3.11Å; C529-R531 PolarHBondContact O-N 2.86Å; R531-F533 HydrophobicContact CB-CE2 3.65Å; R531-F533 HydrophobicContact CB-CZ 3.81Å
532	R	75	Confident	73.6	Confident	98 Å²	98	78.6 Å²	78.6	37%	0.37	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	145.1	-179.4	-74.1	150.3	163.2	-88.9	2.3	111.1	H521 W524 R525	H521-R532 WeakPolarHBondContact O-CB 3.4Å; H521-R532 VanDerWaalsContact O-CD 3.24Å; H521-R532 WeakPolarHBondContact O-CD 3.45Å; H521-R532 WeakPolarHBondContact O-CG 3.1Å; H521-R532 PolarHBondContact O-NH1 3.32Å; W524-R532 CarbonylContact O-C 3.56Å; W524-R532 WeakPolarHBondContact O-CA 3.12Å; R525-R532 HydrophobicContact CB-CG 4.3Å; R525-R532 HydrophobicContact CG-CG 4.42Å
533	F	76.2	Confident	74.1	Confident	40 Å²	40	82 Å²	82	18%	0.175	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	135.2	-177.1	-59	-89.8	0	0	0	110.1	G522 Q523 W524 C526 R531 D535 F538 F539 H542	G522-F533 CarbonylContact C-O 3.51Å; G522-F533 VanDerWaalsContact C-O 3.27Å; G522-F533 WeakPolarHBondContact CA-O 3.19Å; Q523-F533 PolarHBondContact N-O 3.42Å; Q523-F533 VanDerWaalsContact N-O 3.17Å; W524-F533 HydrophobicContact CB-CB 4.34Å; W524-F533 PolarHBondContact N-O 3.02Å; W524-F533 PolarHBondContact O-N 3.22Å; C526-F533 HydrophobicContact CB-CE2 4.41Å; R531-F533 HydrophobicContact CB-CE2 3.65Å; R531-F533 HydrophobicContact CB-CZ 3.81Å; F533-D535 VanDerWaalsContact C-N 3.32Å; F533-F538 HydrophobicContact CD1-CB 4.05Å; F533-F539 HydrophobicContact CB-CB 4.13Å; F533-F539 HydrophobicContact CD2-CB 4.44Å; F533-F539 HydrophobicContact CD2-CD2 4.09Å; F533-F539 HydrophobicContact CG-CB 4.41Å; F533-H542 HydrophobicContact CE1-CB 3.9Å; F533-H542 HydrophobicContact CE2-CB 3.87Å; F533-H542 AromaticContact CE2-CD2 3.18Å; F533-H542 WeakPolarHBondContact CE2-CD2 3.5Å; F533-H542 AromaticContact CE2-CG 3.44Å; F533-H542 VanDerWaalsContact CE2-CG 3.44Å; F533-H542 AromaticContact CE2-NE2 3.73Å; F533-H542 HydrophobicContact CZ-CB 3.51Å; F533-H542 AromaticContact CZ-CD2 3.4Å; F533-H542 VanDerWaalsContact CZ-CD2 3.4Å; F533-H542 WeakPolarHBondContact CZ-CD2 3.33Å; F533-H542 AromaticContact CZ-CE1 3.9Å; F533-H542 AromaticContact CZ-CG 3.15Å; F533-H542 AromaticContact CZ-ND1 3.51Å; F533-H542 AromaticContact CZ-NE2 3.83Å
534	A	70	Confident	74.3	Confident	57 Å²	57	79.3 Å²	79.3	47%	0.471	38%	0.383	S	S	.	.	S	Bend	trans	-68.7	-31.2	177.6	0	0	0	0	0	112.6	L519	L519-A534 VanDerWaalsContact O-CB 3.3Å; L519-A534 WeakPolarHBondContact O-CB 3.36Å
535	D	73.4	Confident	74.3	Confident	64 Å²	64	82.3 Å²	82.3	34%	0.342	40%	0.398	S	S	.	.	S	Bend	trans	-122.6	136.5	-171.6	169.6	15.8	0	0	0	111.2	F533 L537 F538 F539	F533-D535 VanDerWaalsContact C-N 3.32Å; D535-L537 VanDerWaalsContact C-N 3.28Å; D535-L537 PolarHBondContact O-N 2.96Å; D535-L537 PolarHBondContact OD1-N 2.78Å; D535-F538 HydrophobicContact CB-CD2 3.96Å; D535-F538 PolarHBondContact O-N 2.67Å; D535-F538 WeakPolarHBondContact OD2-CD2 3.24Å; D535-F539 PolarHBondContact O-N 2.93Å
536	Q	77.4	Confident	74.2	Confident	92 Å²	92	78.5 Å²	78.5	43%	0.43	39%	0.386	S	S	.	.	H	α-helix	trans	-58.6	-35.4	178.2	-167	176.4	0.9	0	0	112.4	W524 F539 Q540	W524-Q536 HydrophobicContact CD2-CB 4.25Å; W524-Q536 HydrophobicContact CD2-CG 4.26Å; W524-Q536 HydrophobicContact CE3-CG 4.39Å; W524-Q536 HydrophobicContact CH2-CB 4.35Å; W524-Q536 HydrophobicContact CH2-CG 3.76Å; W524-Q536 HydrophobicContact CZ2-CB 3.67Å; W524-Q536 HydrophobicContact CZ2-CG 3.6Å; W524-Q536 HydrophobicContact CZ3-CG 4.15Å; Q536-F539 WeakPolarHBondContact O-CB 3.3Å; Q536-F539 PolarHBondContact O-N 3.24Å; Q536-Q540 WeakPolarHBondContact O-CB 3.4Å; Q536-Q540 WeakPolarHBondContact O-CG 3.18Å; Q536-Q540 PolarHBondContact O-N 3.36Å
537	L	77.5	Confident	73.5	Confident	104 Å²	104	81.4 Å²	81.4	55%	0.545	41%	0.407	S	S	.	.	H	α-helix	trans	-66.7	-37.1	177.2	-87.2	158.9	0	0	0	112.3	D535 R541	D535-L537 VanDerWaalsContact C-N 3.28Å; D535-L537 PolarHBondContact O-N 2.96Å; D535-L537 PolarHBondContact OD1-N 2.78Å; L537-R541 WeakPolarHBondContact O-CB 3.37Å; L537-R541 PolarHBondContact O-N 2.76Å; L537-R541 VanDerWaalsContact O-N 3.12Å
538	F	75.6	Confident	72.7	Confident	110 Å²	110	79.5 Å²	79.5	48%	0.482	41%	0.405	S	S	.	.	H	α-helix	trans	-74.9	-34.3	173.9	-74.4	-96.4	0	0	0	111.8	F533 D535 H542	F533-F538 HydrophobicContact CD1-CB 4.05Å; D535-F538 HydrophobicContact CB-CD2 3.96Å; D535-F538 PolarHBondContact O-N 2.67Å; D535-F538 WeakPolarHBondContact OD2-CD2 3.24Å; F538-H542 VanDerWaalsContact O-CB 3.24Å; F538-H542 WeakPolarHBondContact O-CB 3.46Å; F538-H542 PolarHBondContact O-N 2.81Å
539	F	81	Confident	71.9	Confident	23 Å²	23	80.3 Å²	80.3	10%	0.101	41%	0.406	C	S	.	.	H	α-helix	trans	-61.6	-52.6	172.5	174.4	-115.8	0	0	0	112.4	W524 R525 C526 F533 D535 Q536 R541 H542 Q543	W524-F539 HydrophobicContact CB-CB 3.52Å; W524-F539 HydrophobicContact CB-CD1 3.99Å; W524-F539 HydrophobicContact CB-CD2 3.66Å; W524-F539 HydrophobicContact CB-CE2 4.32Å; W524-F539 HydrophobicContact CB-CG 3.46Å; W524-F539 VanDerWaalsContact CB-CG 3.46Å; W524-F539 HydrophobicContact CD2-CD1 4.1Å; W524-F539 HydrophobicContact CD2-CG 4.4Å; W524-F539 AromaticContact CE3-CD1 3.63Å; W524-F539 HydrophobicContact CE3-CD1 3.63Å; W524-F539 AromaticContact CE3-CE1 3.8Å; W524-F539 HydrophobicContact CE3-CE1 3.8Å; W524-F539 HydrophobicContact CE3-CG 4.32Å; W524-F539 HydrophobicContact CG-CB 3.95Å; W524-F539 HydrophobicContact CG-CD1 4.27Å; W524-F539 HydrophobicContact CG-CG 4.09Å; W524-F539 HydrophobicContact CZ3-CD1 4.46Å; W524-F539 HydrophobicContact CZ3-CE1 4.48Å; R525-F539 WeakPolarHBondContact O-CE2 3.49Å; C526-F539 HydrophobicContact CB-CE2 4.38Å; F533-F539 HydrophobicContact CB-CB 4.13Å; F533-F539 HydrophobicContact CD2-CB 4.44Å; F533-F539 HydrophobicContact CD2-CD2 4.09Å; F533-F539 HydrophobicContact CG-CB 4.41Å; D535-F539 PolarHBondContact O-N 2.93Å; Q536-F539 WeakPolarHBondContact O-CB 3.3Å; Q536-F539 PolarHBondContact O-N 3.24Å; F539-R541 VanDerWaalsContact C-N 3.35Å; F539-R541 PolarHBondContact O-N 3.04Å; F539-H542 CarbonylContact O-C 3.54Å; F539-H542 WeakPolarHBondContact O-CA 3.47Å; F539-H542 WeakPolarHBondContact O-CB 3.38Å; F539-H542 PolarHBondContact O-N 2.61Å; F539-Q543 HydrophobicContact CD1-CG 4.47Å; F539-Q543 HydrophobicContact CD2-CG 4.3Å; F539-Q543 HydrophobicContact CE1-CG 4.14Å; F539-Q543 HydrophobicContact CE2-CG 3.96Å; F539-Q543 HydrophobicContact CZ-CG 3.88Å; F539-Q543 WeakPolarHBondContact O-CG 3.48Å; F539-Q543 PolarHBondContact O-N 2.8Å
540	Q	78.3	Confident	71.5	Confident	92 Å²	92	81.2 Å²	81.2	43%	0.43	41%	0.406	S	S	.	.	H	α-helix	trans	-58.1	-46.3	175.8	-73	174.4	-8	0	0	111.4	Q536 H542 Q543 L544	Q536-Q540 WeakPolarHBondContact O-CB 3.4Å; Q536-Q540 WeakPolarHBondContact O-CG 3.18Å; Q536-Q540 PolarHBondContact O-N 3.36Å; Q540-H542 PolarHBondContact O-N 3.12Å; Q540-H542 VanDerWaalsContact O-N 3.15Å; Q540-Q543 PolarHBondContact O-N 3.17Å; Q540-Q543 VanDerWaalsContact O-N 3.09Å; Q540-L544 PolarHBondContact O-N 3.3Å
541	R	75.2	Confident	71.4	Confident	100 Å²	100	82.9 Å²	82.9	38%	0.377	40%	0.404	S	S	.	.	H	α-helix	trans	-61.7	-22.4	175.6	-167.1	-172.6	-57	146.3	5.4	113.2	L537 F539	L537-R541 WeakPolarHBondContact O-CB 3.37Å; L537-R541 PolarHBondContact O-N 2.76Å; L537-R541 VanDerWaalsContact O-N 3.12Å; F539-R541 VanDerWaalsContact C-N 3.35Å; F539-R541 PolarHBondContact O-N 3.04Å
542	H	78.6	Confident	71.6	Confident	19 Å²	19	78.3 Å²	78.3	9%	0.088	39%	0.394	C	S	.	.	H	α-helix	trans	-89.1	-34.2	173.5	172.8	72.9	0	0	0	112.7	C526 C529 F533 F538 F539 Q540 L544 K545 H546	C526-H542 WeakPolarHBondContact CB-NE2 3.4Å; C526-H542 PolarHBondContact SG-NE2 3.17Å; C529-H542 PolarHBondContact SG-CE1 2.89Å; C529-H542 PolarHBondContact SG-NE2 3.37Å; F533-H542 HydrophobicContact CE1-CB 3.9Å; F533-H542 HydrophobicContact CE2-CB 3.87Å; F533-H542 AromaticContact CE2-CD2 3.18Å; F533-H542 WeakPolarHBondContact CE2-CD2 3.5Å; F533-H542 AromaticContact CE2-CG 3.44Å; F533-H542 VanDerWaalsContact CE2-CG 3.44Å; F533-H542 AromaticContact CE2-NE2 3.73Å; F533-H542 HydrophobicContact CZ-CB 3.51Å; F533-H542 AromaticContact CZ-CD2 3.4Å; F533-H542 VanDerWaalsContact CZ-CD2 3.4Å; F533-H542 WeakPolarHBondContact CZ-CD2 3.33Å; F533-H542 AromaticContact CZ-CE1 3.9Å; F533-H542 AromaticContact CZ-CG 3.15Å; F533-H542 AromaticContact CZ-ND1 3.51Å; F533-H542 AromaticContact CZ-NE2 3.83Å; F538-H542 VanDerWaalsContact O-CB 3.24Å; F538-H542 WeakPolarHBondContact O-CB 3.46Å; F538-H542 PolarHBondContact O-N 2.81Å; F539-H542 CarbonylContact O-C 3.54Å; F539-H542 WeakPolarHBondContact O-CA 3.47Å; F539-H542 WeakPolarHBondContact O-CB 3.38Å; F539-H542 PolarHBondContact O-N 2.61Å; Q540-H542 PolarHBondContact O-N 3.12Å; Q540-H542 VanDerWaalsContact O-N 3.15Å; H542-L544 PolarHBondContact O-N 2.99Å; H542-K545 WeakPolarHBondContact O-CA 3.12Å; H542-K545 WeakPolarHBondContact O-CB 3.47Å; H542-K545 PolarHBondContact O-N 2.89Å; H542-H546 AromaticContact CD2-NE2 3.78Å; H542-H546 AromaticContact CE1-NE2 3.27Å; H542-H546 PolarHBondContact CE1-NE2 3.33Å; H542-H546 VanDerWaalsContact CE1-NE2 3.27Å; H542-H546 AromaticContact NE2-CD2 3.79Å; H542-H546 AromaticContact NE2-NE2 2.98Å; H542-H546 PolarHBondContact NE2-NE2 2.85Å; H542-H546 PolarHBondContact O-CD2 3.34Å
543	Q	74.5	Confident	72	Confident	76 Å²	76	73.7 Å²	73.7	36%	0.355	38%	0.377	S	S	.	.	H	α-helix	trans	-60.8	-32.5	170.4	-71.6	-178.1	-64.4	0	0	111.5	F539 Q540 K545 H546 S547	F539-Q543 HydrophobicContact CD1-CG 4.47Å; F539-Q543 HydrophobicContact CD2-CG 4.3Å; F539-Q543 HydrophobicContact CE1-CG 4.14Å; F539-Q543 HydrophobicContact CE2-CG 3.96Å; F539-Q543 HydrophobicContact CZ-CG 3.88Å; F539-Q543 WeakPolarHBondContact O-CG 3.48Å; F539-Q543 PolarHBondContact O-N 2.8Å; Q540-Q543 PolarHBondContact O-N 3.17Å; Q540-Q543 VanDerWaalsContact O-N 3.09Å; Q543-K545 PolarHBondContact O-N 2.82Å; Q543-H546 PolarHBondContact O-N 3.31Å; Q543-S547 WeakPolarHBondContact O-CB 3.48Å; Q543-S547 PolarHBondContact O-N 2.91Å
544	L	71.6	Confident	72.3	Confident	70 Å²	70	77.6 Å²	77.6	37%	0.366	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-4.9	168.1	-68.6	175.6	0	0	0	114.6	Q540 H542	Q540-L544 PolarHBondContact O-N 3.3Å; H542-L544 PolarHBondContact O-N 2.99Å
545	K	66.6	Low	72.8	Confident	130 Å²	130	79.5 Å²	79.5	57%	0.565	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-10.1	170.7	-153	-158.8	170.1	-167.4	0	113	H542 Q543	H542-K545 WeakPolarHBondContact O-CA 3.12Å; H542-K545 WeakPolarHBondContact O-CB 3.47Å; H542-K545 PolarHBondContact O-N 2.89Å; Q543-K545 PolarHBondContact O-N 2.82Å
546	H	68.5	Low	73.2	Confident	71 Å²	71	78.9 Å²	78.9	33%	0.329	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-30.2	-179.9	-51.6	-68.1	0	0	0	112.2	C526 D528 C529 H542 Q543	C526-H546 PolarHBondContact SG-CD2 3.1Å; C526-H546 PolarHBondContact SG-NE2 3.43Å; D528-H546 HydrophobicContact CB-CB 3.79Å; D528-H546 VanDerWaalsContact CB-CG 3.47Å; D528-H546 IonicContact OD2-CD2 2.99Å; D528-H546 IonicContact OD2-CG 3.2Å; C529-H546 VanDerWaalsContact SG-CE1 3.58Å; C529-H546 PolarHBondContact SG-NE2 2.8Å; C529-H546 VanDerWaalsContact SG-NE2 3.42Å; H542-H546 AromaticContact CD2-NE2 3.78Å; H542-H546 AromaticContact CE1-NE2 3.27Å; H542-H546 PolarHBondContact CE1-NE2 3.33Å; H542-H546 VanDerWaalsContact CE1-NE2 3.27Å; H542-H546 AromaticContact NE2-CD2 3.79Å; H542-H546 AromaticContact NE2-NE2 2.98Å; H542-H546 PolarHBondContact NE2-NE2 2.85Å; H542-H546 PolarHBondContact O-CD2 3.34Å; Q543-H546 PolarHBondContact O-N 3.31Å
547	S	63.1	Low	73.3	Confident	63 Å²	63	76.8 Å²	76.8	44%	0.441	40%	0.404	S	S	.	.	S	Bend	trans	-69.2	131.2	166.1	-173.3	0	0	0	0	109.5	Q543 Q549	Q543-S547 WeakPolarHBondContact O-CB 3.48Å; Q543-S547 PolarHBondContact O-N 2.91Å; S547-Q549 PolarHBondContact O-N 2.92Å
548	S	55.9	Low	73.4	Confident	105 Å²	105	77.6 Å²	77.6	73%	0.734	40%	0.403	S	S	*	.	S	Bend	trans	-73.8	41.2	-176.3	61	0	0	0	0	114.1	D550	S548-D550 PolarHBondContact O-N 3.15Å
549	Q	55.2	Low	73.5	Confident	119 Å²	119	77.1 Å²	77.1	56%	0.556	41%	0.405	S	S	*	.			trans	-86.7	66.1	163	-77.7	-164.6	-55	0	0	109.1	S547 F551	S547-Q549 PolarHBondContact O-N 2.92Å; Q549-F551 PolarHBondContact O-N 3.47Å
550	D	63.7	Low	73.4	Confident	79 Å²	79	77.7 Å²	77.7	42%	0.422	41%	0.408	S	S	.	.			trans	-74.8	111.8	179.6	-70.7	-30.3	0	0	0	109.9	S548 V552 I559	S548-D550 PolarHBondContact O-N 3.15Å; D550-V552 HydrophobicContact CB-CG2 4.02Å; D550-V552 PolarHBondContact O-N 2.95Å; D550-I559 HydrophobicContact CB-CG1 4.39Å; D550-I559 HydrophobicContact CB-CG2 3.71Å; D550-I559 VanDerWaalsContact CG-CG2 3.48Å; D550-I559 WeakPolarHBondContact OD1-CG2 3.44Å
551	F	68.8	Low	73.1	Confident	69 Å²	69	78.2 Å²	78.2	30%	0.303	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	81.7	167.8	-64.3	-84.3	0	0	0	108	Q549 F560 P563 L566	Q549-F551 PolarHBondContact O-N 3.47Å; F551-F560 WeakPolarHBondContact CA-O 3.18Å; F551-F560 HydrophobicContact CB-CB 4.24Å; F551-F560 VanDerWaalsContact CB-O 3.26Å; F551-F560 WeakPolarHBondContact CB-O 3.47Å; F551-F560 WeakPolarHBondContact CD2-O 3.49Å; F551-F560 PolarHBondContact N-O 2.89Å; F551-F560 WeakPolarHBondContact O-CD2 3.39Å; F551-F560 PolarHBondContact O-N 3.32Å; F551-P563 HydrophobicContact CD1-CB 4.28Å; F551-P563 HydrophobicContact CD1-CG 4.21Å; F551-P563 HydrophobicContact CE1-CB 4.13Å; F551-P563 HydrophobicContact CE1-CG 3.67Å; F551-P563 HydrophobicContact CE2-CG 4.06Å; F551-P563 HydrophobicContact CZ-CB 4.49Å; F551-P563 HydrophobicContact CZ-CG 3.59Å; F551-L566 HydrophobicContact CB-CB 3.93Å; F551-L566 HydrophobicContact CB-CD2 3.76Å; F551-L566 HydrophobicContact CB-CG 4.41Å; F551-L566 HydrophobicContact CD1-CD2 4.49Å
552	V	77.1	Confident	73.1	Confident	64 Å²	64	78.1 Å²	78.1	39%	0.388	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	142.3	179	-170.8	0	0	0	0	110.1	D550 K558 I559 L566	D550-V552 HydrophobicContact CB-CG2 4.02Å; D550-V552 PolarHBondContact O-N 2.95Å; V552-K558 CarbonylContact C-O 3.56Å; V552-I559 HydrophobicContact CG2-CG1 4.33Å; V552-L566 WeakPolarHBondContact O-CD1 3.33Å; V552-L566 WeakPolarHBondContact O-CD2 3.35Å
553	C	83.6	Confident	73.2	Confident	1 Å²	1	81 Å²	81	1%	0.007	43%	0.426	C	S	.	.			trans	-87.1	112.5	168.3	-176.4	0	0	0	0	111.4	L555 C556 G557 K558 F560 L566 H569 H573	C553-L555 PolarHBondContact O-N 3.29Å; C553-C556 PolarHBondContact O-N 3.19Å; C553-C556 VanDerWaalsContact O-N 3.08Å; C553-G557 WeakPolarHBondContact O-CA 3.35Å; C553-G557 PolarHBondContact O-N 3.39Å; C553-K558 PolarHBondContact N-O 2.82Å; C553-F560 HydrophobicContact CB-CE2 4.28Å; C553-L566 HydrophobicContact CB-CD1 3.69Å; C553-H569 PolarHBondContact SG-CD2 3.19Å; C553-H569 PolarHBondContact SG-NE2 2.98Å; C553-H569 VanDerWaalsContact SG-NE2 3.43Å; C553-H573 PolarHBondContact SG-NE2 2.88Å
554	D	83	Confident	73.5	Confident	122 Å²	122	81 Å²	81	65%	0.652	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	-25.8	176.4	-37.7	-41.1	0	0	0	113.8	R570	D554-R570 IonicContact OD2-NH1 2.65Å
555	L	80.5	Confident	74	Confident	97 Å²	97	80.1 Å²	80.1	51%	0.508	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-10.2	-173.5	-58.6	171.7	0	0	0	114.4	C553 R570 H573	C553-L555 PolarHBondContact O-N 3.29Å; L555-R570 HydrophobicContact CD1-CG 4.39Å; L555-H573 HydrophobicContact CB-CB 4.22Å; L555-H573 HydrophobicContact CD1-CB 3.45Å; L555-H573 VanDerWaalsContact CD1-CB 3.45Å; L555-H573 HydrophobicContact CG-CB 4.46Å
556	C	82	Confident	74.9	Confident	50 Å²	50	75.4 Å²	75.4	34%	0.338	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.2	9.6	176.4	70.3	0	0	0	0	116.5	C553 K558 H569 H573	C553-C556 PolarHBondContact O-N 3.19Å; C553-C556 VanDerWaalsContact O-N 3.08Å; C556-K558 PolarHBondContact O-N 3.28Å; C556-K558 VanDerWaalsContact O-N 3.07Å; C556-H569 PolarHBondContact SG-NE2 3.45Å; C556-H573 WeakPolarHBondContact CB-CE1 3.48Å; C556-H573 VanDerWaalsContact CB-NE2 3.3Å; C556-H573 WeakPolarHBondContact CB-NE2 3.34Å; C556-H573 PolarHBondContact SG-CE1 3.25Å; C556-H573 PolarHBondContact SG-NE2 3.09Å
557	G	79.7	Confident	75.7	Confident	49 Å²	49	75.1 Å²	75.1	51%	0.505	42%	0.417	S	S	.	.			trans	68.2	2.3	179.5	0	0	0	0	0	115.8	C553 I559	C553-G557 WeakPolarHBondContact O-CA 3.35Å; C553-G557 PolarHBondContact O-N 3.39Å; G557-I559 PolarHBondContact O-N 3.42Å
558	K	79.1	Confident	76.6	Confident	120 Å²	120	73.5 Å²	73.5	52%	0.522	41%	0.407	S	S	.	.			trans	-66.9	128.1	179.4	-76.1	177.6	-175.7	167.5	0	111.1	V552 C553 C556 F560	V552-K558 CarbonylContact C-O 3.56Å; C553-K558 PolarHBondContact N-O 2.82Å; C556-K558 PolarHBondContact O-N 3.28Å; C556-K558 VanDerWaalsContact O-N 3.07Å; K558-F560 HydrophobicContact CB-CE2 3.63Å; K558-F560 HydrophobicContact CB-CZ 3.97Å; K558-F560 WeakPolarHBondContact O-CD2 3.26Å; K558-F560 VanDerWaalsContact O-CE2 3.31Å; K558-F560 WeakPolarHBondContact O-CE2 3.03Å
559	I	77.7	Confident	77.9	Confident	101 Å²	101	69.2 Å²	69.2	52%	0.518	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	131.6	-178.9	-65.8	168.5	0	0	0	110.5	D550 V552 G557	D550-I559 HydrophobicContact CB-CG1 4.39Å; D550-I559 HydrophobicContact CB-CG2 3.71Å; D550-I559 VanDerWaalsContact CG-CG2 3.48Å; D550-I559 WeakPolarHBondContact OD1-CG2 3.44Å; V552-I559 HydrophobicContact CG2-CG1 4.33Å; G557-I559 PolarHBondContact O-N 3.42Å
560	F	78.9	Confident	79.3	Confident	35 Å²	35	69.6 Å²	69.6	15%	0.154	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	144.2	173.6	-61.3	-88.7	0	0	0	111.2	F551 C553 K558 N565 L566 H569	F551-F560 WeakPolarHBondContact CA-O 3.18Å; F551-F560 HydrophobicContact CB-CB 4.24Å; F551-F560 VanDerWaalsContact CB-O 3.26Å; F551-F560 WeakPolarHBondContact CB-O 3.47Å; F551-F560 WeakPolarHBondContact CD2-O 3.49Å; F551-F560 PolarHBondContact N-O 2.89Å; F551-F560 WeakPolarHBondContact O-CD2 3.39Å; F551-F560 PolarHBondContact O-N 3.32Å; C553-F560 HydrophobicContact CB-CE2 4.28Å; K558-F560 HydrophobicContact CB-CE2 3.63Å; K558-F560 HydrophobicContact CB-CZ 3.97Å; K558-F560 WeakPolarHBondContact O-CD2 3.26Å; K558-F560 VanDerWaalsContact O-CE2 3.31Å; K558-F560 WeakPolarHBondContact O-CE2 3.03Å; F560-N565 HydrophobicContact CB-CB 4.26Å; F560-N565 HydrophobicContact CD1-CB 3.82Å; F560-N565 HydrophobicContact CG-CB 4.35Å; F560-L566 HydrophobicContact CB-CB 4.16Å; F560-L566 HydrophobicContact CD2-CB 4.2Å; F560-L566 HydrophobicContact CD2-CD1 3.97Å; F560-L566 HydrophobicContact CE2-CD1 4.4Å; F560-L566 HydrophobicContact CG-CB 4.32Å; F560-H569 HydrophobicContact CE1-CB 3.9Å; F560-H569 HydrophobicContact CE2-CB 3.87Å; F560-H569 AromaticContact CE2-CD2 3.15Å; F560-H569 WeakPolarHBondContact CE2-CD2 3.48Å; F560-H569 AromaticContact CE2-CG 3.51Å; F560-H569 AromaticContact CE2-NE2 3.86Å; F560-H569 HydrophobicContact CZ-CB 3.45Å; F560-H569 VanDerWaalsContact CZ-CB 3.45Å; F560-H569 AromaticContact CZ-CD2 3.34Å; F560-H569 WeakPolarHBondContact CZ-CD2 3.37Å; F560-H569 AromaticContact CZ-CG 3.17Å; F560-H569 AromaticContact CZ-ND1 3.76Å; F560-H569 AromaticContact CZ-NE2 3.97Å
561	Y	72	Confident	80.3	Confident	103 Å²	103	66.6 Å²	66.6	40%	0.404	36%	0.356	S	S	.	.	S	Bend	trans	-94.5	12.2	178.7	54	-87.8	0	0	0	112.8
562	R	74.3	Confident	80.9	Confident	98 Å²	98	68.3 Å²	68.3	37%	0.37	37%	0.368	S	S	.	.	S	Bend	trans	-150.3	136.5	176.3	-65.4	-174.7	-175.2	138.7	8.8	111	S564 N565 L566	R562-S564 VanDerWaalsContact C-N 3.26Å; R562-S564 PolarHBondContact O-N 2.84Å; R562-N565 HydrophobicContact CB-CB 4.17Å; R562-N565 PolarHBondContact O-N 3.13Å; R562-N565 VanDerWaalsContact O-N 3.09Å; R562-L566 PolarHBondContact O-N 2.96Å; R562-L566 VanDerWaalsContact O-N 3.09Å
563	P	81.2	Confident	81.1	Confident	78 Å²	78	69.5 Å²	69.5	51%	0.506	37%	0.369	S	S	.	.	H	α-helix	trans	-58.6	-37.4	174.8	-14.5	21	0	0	0	112.8	F551 N565 L566 S567	F551-P563 HydrophobicContact CD1-CB 4.28Å; F551-P563 HydrophobicContact CD1-CG 4.21Å; F551-P563 HydrophobicContact CE1-CB 4.13Å; F551-P563 HydrophobicContact CE1-CG 3.67Å; F551-P563 HydrophobicContact CE2-CG 4.06Å; F551-P563 HydrophobicContact CZ-CB 4.49Å; F551-P563 HydrophobicContact CZ-CG 3.59Å; P563-N565 VanDerWaalsContact C-N 3.31Å; P563-N565 PolarHBondContact O-N 3.18Å; P563-L566 PolarHBondContact O-N 3Å; P563-S567 WeakPolarHBondContact O-CB 3.37Å; P563-S567 PolarHBondContact O-N 3.45Å
564	S	80.8	Confident	80.9	Confident	78 Å²	78	72.5 Å²	72.5	55%	0.545	39%	0.387	S	S	.	.	H	α-helix	trans	-67.6	-29.5	178.7	53.1	0	0	0	0	113.4	R562 A568	R562-S564 VanDerWaalsContact C-N 3.26Å; R562-S564 PolarHBondContact O-N 2.84Å; S564-A568 VanDerWaalsContact O-CB 3.28Å; S564-A568 WeakPolarHBondContact O-CB 3.22Å; S564-A568 PolarHBondContact O-N 2.66Å; S564-A568 VanDerWaalsContact O-N 3.09Å
565	N	82.5	Confident	80.6	Confident	51 Å²	51	69 Å²	69	27%	0.273	38%	0.38	S	S	.	.	H	α-helix	trans	-75.6	-41.3	173.1	-71.1	3.4	0	0	0	110.6	F560 R562 P563 H569	F560-N565 HydrophobicContact CB-CB 4.26Å; F560-N565 HydrophobicContact CD1-CB 3.82Å; F560-N565 HydrophobicContact CG-CB 4.35Å; R562-N565 HydrophobicContact CB-CB 4.17Å; R562-N565 PolarHBondContact O-N 3.13Å; R562-N565 VanDerWaalsContact O-N 3.09Å; P563-N565 VanDerWaalsContact C-N 3.31Å; P563-N565 PolarHBondContact O-N 3.18Å; N565-H569 VanDerWaalsContact O-CB 3.23Å; N565-H569 WeakPolarHBondContact O-CB 3.42Å; N565-H569 PolarHBondContact O-N 3.34Å
566	L	85.9	Confident	80.5	Confident	31 Å²	31	69.8 Å²	69.8	16%	0.162	38%	0.381	C	S	.	.	H	α-helix	trans	-59.8	-48.5	173	172.1	60.8	0	0	0	111.1	F551 V552 C553 F560 R562 P563 H569 R570	F551-L566 HydrophobicContact CB-CB 3.93Å; F551-L566 HydrophobicContact CB-CD2 3.76Å; F551-L566 HydrophobicContact CB-CG 4.41Å; F551-L566 HydrophobicContact CD1-CD2 4.49Å; V552-L566 WeakPolarHBondContact O-CD1 3.33Å; V552-L566 WeakPolarHBondContact O-CD2 3.35Å; C553-L566 HydrophobicContact CB-CD1 3.69Å; F560-L566 HydrophobicContact CB-CB 4.16Å; F560-L566 HydrophobicContact CD2-CB 4.2Å; F560-L566 HydrophobicContact CD2-CD1 3.97Å; F560-L566 HydrophobicContact CE2-CD1 4.4Å; F560-L566 HydrophobicContact CG-CB 4.32Å; R562-L566 PolarHBondContact O-N 2.96Å; R562-L566 VanDerWaalsContact O-N 3.09Å; P563-L566 PolarHBondContact O-N 3Å; L566-H569 CarbonylContact O-C 3.58Å; L566-H569 WeakPolarHBondContact O-CA 3.44Å; L566-H569 WeakPolarHBondContact O-CB 3.48Å; L566-H569 PolarHBondContact O-N 2.79Å; L566-H569 VanDerWaalsContact O-N 3.11Å; L566-R570 WeakPolarHBondContact O-CB 3.42Å; L566-R570 PolarHBondContact O-N 3.22Å
567	S	83.6	Confident	80.4	Confident	65 Å²	65	72.4 Å²	72.4	46%	0.455	39%	0.387	S	S	.	.	H	α-helix	trans	-59.8	-49.6	177.8	170.1	0	0	0	0	111.9	P563 H569 R570 N571	P563-S567 WeakPolarHBondContact O-CB 3.37Å; P563-S567 PolarHBondContact O-N 3.45Å; S567-H569 PolarHBondContact O-N 2.91Å; S567-R570 PolarHBondContact O-N 2.98Å; S567-N571 VanDerWaalsContact O-CG 3.27Å; S567-N571 PolarHBondContact O-N 3.2Å; S567-N571 PolarHBondContact O-OD1 3.09Å
568	A	82.3	Confident	80.5	Confident	28 Å²	28	73.4 Å²	73.4	23%	0.231	38%	0.384	C	S	.	.	H	α-helix	trans	-63	-24.5	175.8	0	0	0	0	0	113.4	S564	S564-A568 VanDerWaalsContact O-CB 3.28Å; S564-A568 WeakPolarHBondContact O-CB 3.22Å; S564-A568 PolarHBondContact O-N 2.66Å; S564-A568 VanDerWaalsContact O-N 3.09Å
569	H	84.9	Confident	80.6	Confident	16 Å²	16	71.2 Å²	71.2	7%	0.074	37%	0.373	C	S	.	.	H	α-helix	trans	-81.8	-38.8	173.3	170.1	63.2	0	0	0	113.1	C553 C556 F560 N565 L566 S567 N571 L572 H573	C553-H569 PolarHBondContact SG-CD2 3.19Å; C553-H569 PolarHBondContact SG-NE2 2.98Å; C553-H569 VanDerWaalsContact SG-NE2 3.43Å; C556-H569 PolarHBondContact SG-NE2 3.45Å; F560-H569 HydrophobicContact CE1-CB 3.9Å; F560-H569 HydrophobicContact CE2-CB 3.87Å; F560-H569 AromaticContact CE2-CD2 3.15Å; F560-H569 WeakPolarHBondContact CE2-CD2 3.48Å; F560-H569 AromaticContact CE2-CG 3.51Å; F560-H569 AromaticContact CE2-NE2 3.86Å; F560-H569 HydrophobicContact CZ-CB 3.45Å; F560-H569 VanDerWaalsContact CZ-CB 3.45Å; F560-H569 AromaticContact CZ-CD2 3.34Å; F560-H569 WeakPolarHBondContact CZ-CD2 3.37Å; F560-H569 AromaticContact CZ-CG 3.17Å; F560-H569 AromaticContact CZ-ND1 3.76Å; F560-H569 AromaticContact CZ-NE2 3.97Å; N565-H569 VanDerWaalsContact O-CB 3.23Å; N565-H569 WeakPolarHBondContact O-CB 3.42Å; N565-H569 PolarHBondContact O-N 3.34Å; L566-H569 CarbonylContact O-C 3.58Å; L566-H569 WeakPolarHBondContact O-CA 3.44Å; L566-H569 WeakPolarHBondContact O-CB 3.48Å; L566-H569 PolarHBondContact O-N 2.79Å; L566-H569 VanDerWaalsContact O-N 3.11Å; S567-H569 PolarHBondContact O-N 2.91Å; H569-N571 PolarHBondContact O-N 3.03Å; H569-L572 VanDerWaalsContact O-CB 3.22Å; H569-L572 WeakPolarHBondContact O-CB 3.44Å; H569-L572 PolarHBondContact O-N 2.95Å; H569-H573 AromaticContact CD2-NE2 3.54Å; H569-H573 AromaticContact CE1-CD2 3.88Å; H569-H573 AromaticContact CE1-NE2 2.76Å; H569-H573 PolarHBondContact CE1-NE2 2.9Å; H569-H573 AromaticContact ND1-NE2 3.94Å; H569-H573 AromaticContact NE2-CD2 3.68Å; H569-H573 AromaticContact NE2-NE2 2.39Å; H569-H573 PolarHBondContact NE2-NE2 2.78Å
570	R	83.7	Confident	80.9	Confident	126 Å²	126	68.3 Å²	68.3	48%	0.475	36%	0.364	S	S	.	.	H	α-helix	trans	-59.2	-35.3	175.8	-171.6	171.4	173.1	171	-3.9	111.1	D554 L555 L566 S567 L572 H573 T574	D554-R570 IonicContact OD2-NH1 2.65Å; L555-R570 HydrophobicContact CD1-CG 4.39Å; L566-R570 WeakPolarHBondContact O-CB 3.42Å; L566-R570 PolarHBondContact O-N 3.22Å; S567-R570 PolarHBondContact O-N 2.98Å; R570-L572 PolarHBondContact O-N 2.93Å; R570-H573 WeakPolarHBondContact O-CB 3.4Å; R570-H573 PolarHBondContact O-N 3.48Å; R570-T574 PolarHBondContact O-N 2.99Å
571	N	85.3	Confident	81.2	Confident	16 Å²	16	67.2 Å²	67.2	9%	0.086	36%	0.361	C	S	.	.	H	α-helix	trans	-59.1	-22.2	171.1	-65.5	-3.1	0	0	0	114.4	S567 H569 H573 G575 E576 M589	S567-N571 VanDerWaalsContact O-CG 3.27Å; S567-N571 PolarHBondContact O-N 3.2Å; S567-N571 PolarHBondContact O-OD1 3.09Å; H569-N571 PolarHBondContact O-N 3.03Å; N571-H573 VanDerWaalsContact C-N 3.35Å; N571-G575 CarbonylContact O-C 3.43Å; N571-G575 WeakPolarHBondContact O-CA 3.33Å; N571-G575 PolarHBondContact O-N 3.32Å; N571-G575 VanDerWaalsContact O-N 3.15Å; N571-E576 WeakPolarHBondContact CB-O 3.21Å; N571-E576 PolarHBondContact O-N 3.37Å; N571-M589 HydrophobicContact CB-CB 3.94Å; N571-M589 HydrophobicContact CB-CG 4.29Å; N571-M589 PolarHBondContact ND2-O 2.98Å
572	L	81.2	Confident	81.6	Confident	105 Å²	105	71.8 Å²	71.8	55%	0.55	38%	0.383	S	S	.	.	H	α-helix	trans	-73.4	-27.5	171.7	-69.7	157.3	0	0	0	112.3	H569 R570 M589	H569-L572 VanDerWaalsContact O-CB 3.22Å; H569-L572 WeakPolarHBondContact O-CB 3.44Å; H569-L572 PolarHBondContact O-N 2.95Å; R570-L572 PolarHBondContact O-N 2.93Å; L572-M589 HydrophobicContact CD2-CE 3.51Å; L572-M589 HydrophobicContact CD2-SD 3.52Å; L572-M589 VanDerWaalsContact CD2-SD 3.52Å; L572-M589 HydrophobicContact CG-CE 4.42Å; L572-M589 HydrophobicContact CG-SD 4Å
573	H	81.8	Confident	82	Confident	90 Å²	90	72.4 Å²	72.4	42%	0.417	39%	0.393	S	S	.	.	H	α-helix	trans	-88.1	-42	178.9	-67.6	-75.1	0	0	0	112	C553 L555 C556 H569 R570 N571 G575	C553-H573 PolarHBondContact SG-NE2 2.88Å; L555-H573 HydrophobicContact CB-CB 4.22Å; L555-H573 HydrophobicContact CD1-CB 3.45Å; L555-H573 VanDerWaalsContact CD1-CB 3.45Å; L555-H573 HydrophobicContact CG-CB 4.46Å; C556-H573 WeakPolarHBondContact CB-CE1 3.48Å; C556-H573 VanDerWaalsContact CB-NE2 3.3Å; C556-H573 WeakPolarHBondContact CB-NE2 3.34Å; C556-H573 PolarHBondContact SG-CE1 3.25Å; C556-H573 PolarHBondContact SG-NE2 3.09Å; H569-H573 AromaticContact CD2-NE2 3.54Å; H569-H573 AromaticContact CE1-CD2 3.88Å; H569-H573 AromaticContact CE1-NE2 2.76Å; H569-H573 PolarHBondContact CE1-NE2 2.9Å; H569-H573 AromaticContact ND1-NE2 3.94Å; H569-H573 AromaticContact NE2-CD2 3.68Å; H569-H573 AromaticContact NE2-NE2 2.39Å; H569-H573 PolarHBondContact NE2-NE2 2.78Å; R570-H573 WeakPolarHBondContact O-CB 3.4Å; R570-H573 PolarHBondContact O-N 3.48Å; N571-H573 VanDerWaalsContact C-N 3.35Å; H573-G575 PolarHBondContact O-N 3.42Å
574	T	77.9	Confident	82	Confident	63 Å²	63	70.6 Å²	70.6	39%	0.387	38%	0.382	S	S	.	.	H	α-helix	trans	-75.2	-14	176	62.3	0	0	0	0	112.9	R570 E576	R570-T574 PolarHBondContact O-N 2.99Å; T574-E576 PolarHBondContact O-N 3.42Å; T574-E576 WeakPolarHBondContact OG1-CB 3.39Å; T574-E576 VanDerWaalsContact OG1-CG 3.32Å; T574-E576 WeakPolarHBondContact OG1-CG 3.49Å; T574-E576 PolarHBondContact OG1-N 2.95Å; T574-E576 PolarHBondContact OG1-OE2 2.7Å
575	G	77.4	Confident	82.1	Confident	48 Å²	48	72.6 Å²	72.6	50%	0.495	40%	0.396	S	S	.	.			trans	70.2	0.8	-172.6	0	0	0	0	0	113.8	N571 H573 K577	N571-G575 CarbonylContact O-C 3.43Å; N571-G575 WeakPolarHBondContact O-CA 3.33Å; N571-G575 PolarHBondContact O-N 3.32Å; N571-G575 VanDerWaalsContact O-N 3.15Å; H573-G575 PolarHBondContact O-N 3.42Å; G575-K577 PolarHBondContact O-N 3.09Å
576	E	77.7	Confident	82	Confident	115 Å²	115	75.5 Å²	75.5	54%	0.537	41%	0.409	S	S	.	.			trans	-66	123.3	-175.8	-70.9	172.5	137.4	0	0	111.2	N571 T574 P578	N571-E576 WeakPolarHBondContact CB-O 3.21Å; N571-E576 PolarHBondContact O-N 3.37Å; T574-E576 PolarHBondContact O-N 3.42Å; T574-E576 WeakPolarHBondContact OG1-CB 3.39Å; T574-E576 VanDerWaalsContact OG1-CG 3.32Å; T574-E576 WeakPolarHBondContact OG1-CG 3.49Å; T574-E576 PolarHBondContact OG1-N 2.95Å; T574-E576 PolarHBondContact OG1-OE2 2.7Å; E576-P578 WeakPolarHBondContact O-CD 3.32Å
577	K	80.7	Confident	81.9	Confident	104 Å²	104	80.5 Å²	80.5	45%	0.452	43%	0.426	S	S	.	.			trans	-113	76.8	174.6	-65.8	166.3	178.7	175.9	0	108.8	G575 Y579 R587 F588 M589	G575-K577 PolarHBondContact O-N 3.09Å; K577-Y579 VanDerWaalsContact C-N 3.28Å; K577-Y579 PolarHBondContact O-N 3Å; K577-R587 HydrophobicContact CB-CB 3.42Å; K577-R587 VanDerWaalsContact CB-CB 3.42Å; K577-R587 HydrophobicContact CD-CB 4.07Å; K577-R587 WeakPolarHBondContact CD-O 3.35Å; K577-R587 HydrophobicContact CG-CB 4.31Å; K577-R587 PolarHBondContact O-NE 3.1Å; K577-R587 PolarHBondContact O-NH2 3.36Å; K577-F588 CarbonylContact C-O 3.5Å; K577-F588 WeakPolarHBondContact CA-O 3.27Å; K577-M589 HydrophobicContact CG-CG 3.85Å
578	P	81.3	Confident	81.9	Confident	71 Å²	71	79.3 Å²	79.3	46%	0.461	41%	0.412	S	S	.	.			trans	-68.1	-25.7	-173.6	25.3	-33.7	0	0	0	113	E576 A580	E576-P578 WeakPolarHBondContact O-CD 3.32Å; P578-A580 PolarHBondContact O-N 3.3Å
579	Y	82.5	Confident	81.8	Confident	74 Å²	74	80.8 Å²	80.8	29%	0.29	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	89.9	-177.8	-56	-79.1	0	0	0	111.1	K577 R587 F588 S590 R591 W594	K577-Y579 VanDerWaalsContact C-N 3.28Å; K577-Y579 PolarHBondContact O-N 3Å; Y579-R587 WeakPolarHBondContact O-CA 3.43Å; Y579-F588 PolarHBondContact N-O 2.97Å; Y579-F588 PolarHBondContact O-N 3.05Å; Y579-S590 VanDerWaalsContact CD2-C 3.45Å; Y579-R591 HydrophobicContact CD1-CB 4.26Å; Y579-R591 HydrophobicContact CD1-CG 4.43Å; Y579-R591 HydrophobicContact CE1-CB 3.68Å; Y579-R591 HydrophobicContact CE1-CG 3.92Å; Y579-R591 HydrophobicContact CE2-CB 4.21Å; Y579-R591 VanDerWaalsContact CE2-N 3.34Å; Y579-W594 HydrophobicContact CG-CB 4.24Å; Y579-W594 HydrophobicContact CG-CG 4.49Å
580	A	83	Confident	81.6	Confident	40 Å²	40	81.2 Å²	81.2	33%	0.331	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	139.1	174.8	0	0	0	0	0	112.3	P578 R587 W594	P578-A580 PolarHBondContact O-N 3.3Å; A580-R587 HydrophobicContact CB-CG 4.2Å; A580-W594 PolarHBondContact O-NE1 2.95Å
581	C	84.4	Confident	81.6	Confident	12 Å²	12	82 Å²	82	8%	0.081	42%	0.423	C	S	.	.			trans	-66.7	135.2	162.2	173.4	0	0	0	0	109.3	L583 C584 M586 H597 M598 H601	C581-L583 PolarHBondContact SG-N 3.06Å; C581-C584 HydrophobicContact CB-CB 4.33Å; C581-C584 WeakPolarHBondContact CB-O 3.44Å; C581-C584 WeakPolarHBondContact CB-SG 3.44Å; C581-C584 VanDerWaalsContact O-O 3.06Å; C581-C584 VanDerWaalsContact SG-CA 3.51Å; C581-C584 WeakPolarHBondContact SG-CB 3.33Å; C581-C584 PolarHBondContact SG-N 3.2Å; C581-C584 PolarHBondContact SG-O 2.83Å; C581-C584 VanDerWaalsContact SG-O 3.34Å; C581-C584 CovalentContact SG-SG 2.06Å; C581-C584 PolarHBondContact SG-SG 3.45Å; C581-M586 HydrophobicContact CB-CB 4.4Å; C581-M586 WeakPolarHBondContact CB-O 3.47Å; C581-M586 PolarHBondContact N-O 3.35Å; C581-H597 WeakPolarHBondContact CB-NE2 3.22Å; C581-H597 PolarHBondContact SG-NE2 3.48Å; C581-M598 HydrophobicContact CB-CE 3.73Å; C581-H601 PolarHBondContact SG-NE2 3.03Å
582	K	81.5	Confident	81.4	Confident	199 Å²	199	85 Å²	85	87%	0.865	45%	0.445	S	S	*	.	S	Bend	trans	-84.9	-15.6	174	-72	-168.3	175.6	-171.5	0	113.4
583	L	81.9	Confident	81.4	Confident	111 Å²	111	81.8 Å²	81.8	58%	0.581	43%	0.432	S	S	*	.	S	Bend	trans	-110.2	4.8	-172.3	-62.4	171	0	0	0	112.5	C581 H601	C581-L583 PolarHBondContact SG-N 3.06Å; L583-H601 HydrophobicContact CD1-CB 3.47Å; L583-H601 VanDerWaalsContact CD1-CB 3.47Å; L583-H601 PolarHBondContact O-CE1 3.26Å
584	C	82.8	Confident	81.7	Confident	39 Å²	39	80.4 Å²	80.4	26%	0.264	42%	0.423	S	S	.	.	S	Bend	trans	-172.7	157.7	-172.5	68.1	0	0	0	0	110.6	C581 M586 H597 H601	C581-C584 HydrophobicContact CB-CB 4.33Å; C581-C584 WeakPolarHBondContact CB-O 3.44Å; C581-C584 WeakPolarHBondContact CB-SG 3.44Å; C581-C584 VanDerWaalsContact O-O 3.06Å; C581-C584 VanDerWaalsContact SG-CA 3.51Å; C581-C584 WeakPolarHBondContact SG-CB 3.33Å; C581-C584 PolarHBondContact SG-N 3.2Å; C581-C584 PolarHBondContact SG-O 2.83Å; C581-C584 VanDerWaalsContact SG-O 3.34Å; C581-C584 CovalentContact SG-SG 2.06Å; C581-C584 PolarHBondContact SG-SG 3.45Å; C584-M586 PolarHBondContact O-N 3.47Å; C584-H597 PolarHBondContact SG-CE1 3.37Å; C584-H597 PolarHBondContact SG-NE2 3.47Å; C584-H601 WeakPolarHBondContact CB-CE1 3.44Å; C584-H601 VanDerWaalsContact SG-CE1 3.59Å; C584-H601 PolarHBondContact SG-NE2 3.43Å
585	S	80.9	Confident	81.9	Confident	121 Å²	121	83.1 Å²	83.1	85%	0.846	43%	0.429	S	S	*	.	S	Bend	trans	-75	9.6	-177.5	-44.2	0	0	0	0	115
586	M	81.8	Confident	82.1	Confident	112 Å²	112	85.3 Å²	85.3	55%	0.552	43%	0.429	S	S	*	.			trans	-79	130.2	-177.3	-72.5	-80.4	84.6	0	0	112.3	C581 C584 F588	C581-M586 HydrophobicContact CB-CB 4.4Å; C581-M586 WeakPolarHBondContact CB-O 3.47Å; C581-M586 PolarHBondContact N-O 3.35Å; C584-M586 PolarHBondContact O-N 3.47Å; M586-F588 HydrophobicContact CB-CE2 3.69Å; M586-F588 HydrophobicContact CB-CZ 3.85Å
587	R	84	Confident	82.4	Confident	136 Å²	136	81.4 Å²	81.4	51%	0.513	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	140.2	178.5	-51.8	-176.6	63.2	122.5	0.8	110.5	K577 Y579 A580	K577-R587 HydrophobicContact CB-CB 3.42Å; K577-R587 VanDerWaalsContact CB-CB 3.42Å; K577-R587 HydrophobicContact CD-CB 4.07Å; K577-R587 WeakPolarHBondContact CD-O 3.35Å; K577-R587 HydrophobicContact CG-CB 4.31Å; K577-R587 PolarHBondContact O-NE 3.1Å; K577-R587 PolarHBondContact O-NH2 3.36Å; Y579-R587 WeakPolarHBondContact O-CA 3.43Å; A580-R587 HydrophobicContact CB-CG 4.2Å
588	F	82.8	Confident	82.4	Confident	39 Å²	39	77.6 Å²	77.6	17%	0.171	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	147	-170.4	-60.6	-93	0	0	0	111.6	K577 Y579 M586 W594 H597	K577-F588 CarbonylContact C-O 3.5Å; K577-F588 WeakPolarHBondContact CA-O 3.27Å; Y579-F588 PolarHBondContact N-O 2.97Å; Y579-F588 PolarHBondContact O-N 3.05Å; M586-F588 HydrophobicContact CB-CE2 3.69Å; M586-F588 HydrophobicContact CB-CZ 3.85Å; F588-W594 HydrophobicContact CB-CB 4.04Å; F588-W594 HydrophobicContact CD2-CB 4.23Å; F588-W594 HydrophobicContact CG-CB 4.21Å; F588-H597 HydrophobicContact CE1-CB 3.89Å; F588-H597 HydrophobicContact CE2-CB 3.98Å; F588-H597 AromaticContact CE2-CD2 3.19Å; F588-H597 WeakPolarHBondContact CE2-CD2 3.44Å; F588-H597 AromaticContact CE2-CG 3.52Å; F588-H597 AromaticContact CE2-NE2 3.73Å; F588-H597 HydrophobicContact CZ-CB 3.5Å; F588-H597 AromaticContact CZ-CD2 3.41Å; F588-H597 VanDerWaalsContact CZ-CD2 3.41Å; F588-H597 WeakPolarHBondContact CZ-CD2 3.44Å; F588-H597 AromaticContact CZ-CG 3.18Å; F588-H597 AromaticContact CZ-ND1 3.63Å; F588-H597 AromaticContact CZ-NE2 3.93Å
589	M	80.1	Confident	82.1	Confident	60 Å²	60	80.4 Å²	80.4	30%	0.296	40%	0.4	S	S	.	.	S	Bend	trans	-84.2	-14.8	179.7	-63.7	169.7	-67.9	0	0	112.7	N571 L572 K577	N571-M589 HydrophobicContact CB-CB 3.94Å; N571-M589 HydrophobicContact CB-CG 4.29Å; N571-M589 PolarHBondContact ND2-O 2.98Å; L572-M589 HydrophobicContact CD2-CE 3.51Å; L572-M589 HydrophobicContact CD2-SD 3.52Å; L572-M589 VanDerWaalsContact CD2-SD 3.52Å; L572-M589 HydrophobicContact CG-CE 4.42Å; L572-M589 HydrophobicContact CG-SD 4Å; K577-M589 HydrophobicContact CG-CG 3.85Å
590	S	80.7	Confident	81.5	Confident	25 Å²	25	84 Å²	84	18%	0.175	41%	0.413	C	S	.	.	S	Bend	trans	-136.1	144.1	-178.5	72.7	0	0	0	0	113.2	Y579 S592 S593 W594	Y579-S590 VanDerWaalsContact CD2-C 3.45Å; S590-S592 PolarHBondContact O-N 3.12Å; S590-S592 PolarHBondContact OG-OG 3Å; S590-S593 PolarHBondContact O-N 3.38Å; S590-S593 PolarHBondContact O-OG 3.24Å; S590-S593 WeakPolarHBondContact OG-CB 3.37Å; S590-S593 PolarHBondContact OG-N 2.71Å; S590-S593 PolarHBondContact OG-OG 3.35Å; S590-W594 PolarHBondContact O-N 2.76Å; S590-W594 VanDerWaalsContact O-N 3.1Å
591	R	83.9	Confident	81.2	Confident	142 Å²	142	85 Å²	85	54%	0.536	41%	0.411	S	S	.	.	H	α-helix	trans	-61.4	-29.6	178.7	-168.4	171.2	175.2	81.2	-8.1	112.9	Y579 K595	Y579-R591 HydrophobicContact CD1-CB 4.26Å; Y579-R591 HydrophobicContact CD1-CG 4.43Å; Y579-R591 HydrophobicContact CE1-CB 3.68Å; Y579-R591 HydrophobicContact CE1-CG 3.92Å; Y579-R591 HydrophobicContact CE2-CB 4.21Å; Y579-R591 VanDerWaalsContact CE2-N 3.34Å; R591-K595 WeakPolarHBondContact O-CB 3.4Å; R591-K595 WeakPolarHBondContact O-CG 3.33Å; R591-K595 PolarHBondContact O-N 2.76Å
592	S	80.5	Confident	80.3	Confident	78 Å²	78	90.1 Å²	90.1	55%	0.545	44%	0.437	S	S	.	.	H	α-helix	trans	-70.6	-48	177.9	47.7	0	0	0	0	112.1	S590 K595 I596	S590-S592 PolarHBondContact O-N 3.12Å; S590-S592 PolarHBondContact OG-OG 3Å; S592-K595 PolarHBondContact O-N 3.27Å; S592-I596 WeakPolarHBondContact O-CG1 3.35Å; S592-I596 PolarHBondContact O-N 3.28Å
593	S	82.5	Confident	79	Confident	39 Å²	39	81.8 Å²	81.8	27%	0.273	40%	0.403	S	S	.	.	H	α-helix	trans	-63.8	-41.3	176.3	57.2	0	0	0	0	111.6	S590 I596 H597	S590-S593 PolarHBondContact O-N 3.38Å; S590-S593 PolarHBondContact O-OG 3.24Å; S590-S593 WeakPolarHBondContact OG-CB 3.37Å; S590-S593 PolarHBondContact OG-N 2.71Å; S590-S593 PolarHBondContact OG-OG 3.35Å; S593-I596 PolarHBondContact O-N 2.97Å; S593-H597 WeakPolarHBondContact O-CB 3.29Å; S593-H597 PolarHBondContact O-N 3.02Å
594	W	87.9	Confident	77.8	Confident	60 Å²	60	80.8 Å²	80.8	23%	0.227	40%	0.404	C	S	.	.	H	α-helix	trans	-58.9	-46.5	171.3	177.7	83.3	0	0	0	112.8	Y579 A580 F588 S590 I596 H597 M598	Y579-W594 HydrophobicContact CG-CB 4.24Å; Y579-W594 HydrophobicContact CG-CG 4.49Å; A580-W594 PolarHBondContact O-NE1 2.95Å; F588-W594 HydrophobicContact CB-CB 4.04Å; F588-W594 HydrophobicContact CD2-CB 4.23Å; F588-W594 HydrophobicContact CG-CB 4.21Å; S590-W594 PolarHBondContact O-N 2.76Å; S590-W594 VanDerWaalsContact O-N 3.1Å; W594-I596 PolarHBondContact O-N 3.25Å; W594-H597 CarbonylContact O-C 3.6Å; W594-H597 PolarHBondContact O-N 3.2Å; W594-M598 HydrophobicContact CD2-CG 3.89Å; W594-M598 HydrophobicContact CE3-CG 4.32Å; W594-M598 HydrophobicContact CG-CG 4.39Å; W594-M598 HydrophobicContact CH2-CG 4.17Å; W594-M598 HydrophobicContact CZ2-CG 3.73Å; W594-M598 HydrophobicContact CZ2-SD 3.89Å; W594-M598 HydrophobicContact CZ3-CG 4.45Å; W594-M598 WeakPolarHBondContact O-CG 3.33Å; W594-M598 PolarHBondContact O-N 3.05Å
595	K	82.7	Confident	76.5	Confident	120 Å²	120	85.6 Å²	85.6	52%	0.522	42%	0.42	S	S	.	.	H	α-helix	trans	-61.4	-41.9	176.5	-86	-167	172.7	-166.4	0	113	R591 S592 H597 M598 K599	R591-K595 WeakPolarHBondContact O-CB 3.4Å; R591-K595 WeakPolarHBondContact O-CG 3.33Å; R591-K595 PolarHBondContact O-N 2.76Å; S592-K595 PolarHBondContact O-N 3.27Å; K595-H597 VanDerWaalsContact C-N 3.29Å; K595-M598 PolarHBondContact O-N 2.75Å; K595-K599 PolarHBondContact O-N 3.29Å
596	I	80.6	Confident	75.8	Confident	95 Å²	95	88.4 Å²	88.4	49%	0.487	41%	0.412	S	S	.	.	H	α-helix	trans	-63.3	-40.7	176.7	-68.3	164.8	0	0	0	110.1	S592 S593 W594 K599 M618	S592-I596 WeakPolarHBondContact O-CG1 3.35Å; S592-I596 PolarHBondContact O-N 3.28Å; S593-I596 PolarHBondContact O-N 2.97Å; W594-I596 PolarHBondContact O-N 3.25Å; I596-K599 WeakPolarHBondContact O-CB 3.46Å; I596-K599 PolarHBondContact O-N 3.18Å; I596-M618 HydrophobicContact CG2-SD 3.86Å
597	H	84.1	Confident	75.1	Confident	33 Å²	33	86.3 Å²	86.3	15%	0.153	40%	0.4	C	S	.	.	H	α-helix	trans	-69.2	-39.2	176	167.9	72.4	0	0	0	113.5	C581 C584 F588 S593 W594 K595 K599 W600 H601	C581-H597 WeakPolarHBondContact CB-NE2 3.22Å; C581-H597 PolarHBondContact SG-NE2 3.48Å; C584-H597 PolarHBondContact SG-CE1 3.37Å; C584-H597 PolarHBondContact SG-NE2 3.47Å; F588-H597 HydrophobicContact CE1-CB 3.89Å; F588-H597 HydrophobicContact CE2-CB 3.98Å; F588-H597 AromaticContact CE2-CD2 3.19Å; F588-H597 WeakPolarHBondContact CE2-CD2 3.44Å; F588-H597 AromaticContact CE2-CG 3.52Å; F588-H597 AromaticContact CE2-NE2 3.73Å; F588-H597 HydrophobicContact CZ-CB 3.5Å; F588-H597 AromaticContact CZ-CD2 3.41Å; F588-H597 VanDerWaalsContact CZ-CD2 3.41Å; F588-H597 WeakPolarHBondContact CZ-CD2 3.44Å; F588-H597 AromaticContact CZ-CG 3.18Å; F588-H597 AromaticContact CZ-ND1 3.63Å; F588-H597 AromaticContact CZ-NE2 3.93Å; S593-H597 WeakPolarHBondContact O-CB 3.29Å; S593-H597 PolarHBondContact O-N 3.02Å; W594-H597 CarbonylContact O-C 3.6Å; W594-H597 PolarHBondContact O-N 3.2Å; K595-H597 VanDerWaalsContact C-N 3.29Å; H597-K599 VanDerWaalsContact C-N 3.28Å; H597-K599 PolarHBondContact O-N 2.85Å; H597-W600 WeakPolarHBondContact O-CA 3.38Å; H597-W600 WeakPolarHBondContact O-CB 3.48Å; H597-W600 PolarHBondContact O-N 3.41Å; H597-H601 AromaticContact CD2-NE2 3.62Å; H597-H601 AromaticContact CE1-NE2 2.68Å; H597-H601 PolarHBondContact CE1-NE2 3.16Å; H597-H601 AromaticContact ND1-NE2 3.82Å; H597-H601 AromaticContact NE2-CD2 3.8Å; H597-H601 AromaticContact NE2-NE2 2.47Å; H597-H601 PolarHBondContact NE2-NE2 3.26Å
598	M	80.4	Confident	74.7	Confident	23 Å²	23	83.8 Å²	83.8	11%	0.113	40%	0.4	C	S	.	.	H	α-helix	trans	-59.8	-37.5	173.9	-70	-69.7	96.2	0	0	112	C581 W594 K595 W600 H601 D602	C581-M598 HydrophobicContact CB-CE 3.73Å; W594-M598 HydrophobicContact CD2-CG 3.89Å; W594-M598 HydrophobicContact CE3-CG 4.32Å; W594-M598 HydrophobicContact CG-CG 4.39Å; W594-M598 HydrophobicContact CH2-CG 4.17Å; W594-M598 HydrophobicContact CZ2-CG 3.73Å; W594-M598 HydrophobicContact CZ2-SD 3.89Å; W594-M598 HydrophobicContact CZ3-CG 4.45Å; W594-M598 WeakPolarHBondContact O-CG 3.33Å; W594-M598 PolarHBondContact O-N 3.05Å; K595-M598 PolarHBondContact O-N 2.75Å; M598-W600 PolarHBondContact O-N 3.18Å; M598-W600 VanDerWaalsContact O-N 3.13Å; M598-H601 WeakPolarHBondContact O-CB 3.35Å; M598-H601 PolarHBondContact O-N 3.42Å; M598-D602 PolarHBondContact O-N 3Å
599	K	75.6	Confident	74.5	Confident	131 Å²	131	82.1 Å²	82.1	57%	0.57	39%	0.393	S	S	*	.	H	α-helix	trans	-58.2	-25.7	171.6	-69.7	-178.3	176.5	-172.1	0	113.4	K595 I596 H597 H601 S603	K595-K599 PolarHBondContact O-N 3.29Å; I596-K599 WeakPolarHBondContact O-CB 3.46Å; I596-K599 PolarHBondContact O-N 3.18Å; H597-K599 VanDerWaalsContact C-N 3.28Å; H597-K599 PolarHBondContact O-N 2.85Å; K599-H601 VanDerWaalsContact C-N 3.27Å; K599-H601 PolarHBondContact O-N 2.87Å; K599-S603 WeakPolarHBondContact O-CB 3.17Å; K599-S603 PolarHBondContact O-N 3.29Å; K599-S603 PolarHBondContact O-OG 3.01Å
600	W	69.2	Low	74.3	Confident	149 Å²	149	88.6 Å²	88.6	56%	0.564	42%	0.422	S	S	*	.	H	α-helix	trans	-70.3	-25.3	176.1	-164.5	86.3	0	0	0	112.4	H597 M598 K617	H597-W600 WeakPolarHBondContact O-CA 3.38Å; H597-W600 WeakPolarHBondContact O-CB 3.48Å; H597-W600 PolarHBondContact O-N 3.41Å; M598-W600 PolarHBondContact O-N 3.18Å; M598-W600 VanDerWaalsContact O-N 3.13Å; W600-K617 HydrophobicContact CG-CD 4.16Å; W600-K617 PolarHBondContact O-NZ 3.19Å
601	H	76.7	Confident	74	Confident	62 Å²	62	92.2 Å²	92.2	29%	0.287	44%	0.444	S	S	.	.	H	α-helix	trans	-83.8	-51.4	171	-66.1	-79.4	0	0	0	111.7	C581 L583 C584 H597 M598 K599 S603	C581-H601 PolarHBondContact SG-NE2 3.03Å; L583-H601 HydrophobicContact CD1-CB 3.47Å; L583-H601 VanDerWaalsContact CD1-CB 3.47Å; L583-H601 PolarHBondContact O-CE1 3.26Å; C584-H601 WeakPolarHBondContact CB-CE1 3.44Å; C584-H601 VanDerWaalsContact SG-CE1 3.59Å; C584-H601 PolarHBondContact SG-NE2 3.43Å; H597-H601 AromaticContact CD2-NE2 3.62Å; H597-H601 AromaticContact CE1-NE2 2.68Å; H597-H601 PolarHBondContact CE1-NE2 3.16Å; H597-H601 AromaticContact ND1-NE2 3.82Å; H597-H601 AromaticContact NE2-CD2 3.8Å; H597-H601 AromaticContact NE2-NE2 2.47Å; H597-H601 PolarHBondContact NE2-NE2 3.26Å; M598-H601 WeakPolarHBondContact O-CB 3.35Å; M598-H601 PolarHBondContact O-N 3.42Å; K599-H601 VanDerWaalsContact C-N 3.27Å; K599-H601 PolarHBondContact O-N 2.87Å; H601-S603 VanDerWaalsContact C-N 3.32Å; H601-S603 PolarHBondContact O-N 3.43Å
602	D	65.2	Low	73.6	Confident	119 Å²	119	88.7 Å²	88.7	64%	0.636	44%	0.44	S	S	*	.	H	α-helix	trans	-76.7	-7.4	-170.3	-67	-25.8	0	0	0	115.5	M598	M598-D602 PolarHBondContact O-N 3Å
603	S	54.9	Low	73.4	Confident	23 Å²	23	87.6 Å²	87.6	16%	0.161	44%	0.441	C	S	.	.			trans	-108	116.7	-172.4	-56.5	0	0	0	0	113.7	K599 H601	K599-S603 WeakPolarHBondContact O-CB 3.17Å; K599-S603 PolarHBondContact O-N 3.29Å; K599-S603 PolarHBondContact O-OG 3.01Å; H601-S603 VanDerWaalsContact C-N 3.32Å; H601-S603 PolarHBondContact O-N 3.43Å
604	P	57.3	Low	73.3	Confident	90 Å²	90	87.2 Å²	87.2	58%	0.584	44%	0.44	S	S	*	.			trans	-55.9	156.9	153.5	26	-34.4	0	0	0	109.7	R606	P604-R606 VanDerWaalsContact O-CG 3.29Å; P604-R606 WeakPolarHBondContact O-CG 3.33Å; P604-R606 PolarHBondContact O-N 3.49Å
605	K	54.9	Low	72.8	Confident	140 Å²	140	86.1 Å²	86.1	61%	0.609	44%	0.444	S	S	*	.			trans	-68.7	90.5	-175.9	-54.8	179.3	-171.8	173.9	0	110.2	A615 K617	K605-A615 HydrophobicContact CB-CB 3.76Å; K605-A615 HydrophobicContact CD-CB 3.64Å; K605-A615 HydrophobicContact CG-CB 4.35Å; K605-K617 HydrophobicContact CG-CG 4.45Å
606	R	66.4	Low	72.5	Confident	180 Å²	180	82.6 Å²	82.6	68%	0.679	43%	0.429	S	S	*	.			trans	-80.5	-17.9	-171.4	-58.1	-163.8	-174.6	-175.7	-0.4	115.5	P604 F616	P604-R606 VanDerWaalsContact O-CG 3.29Å; P604-R606 WeakPolarHBondContact O-CG 3.33Å; P604-R606 PolarHBondContact O-N 3.49Å; R606-F616 PolarHBondContact N-O 3.29Å
607	F	67	Low	72.1	Confident	69 Å²	69	81.4 Å²	81.4	30%	0.303	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	82.6	-173.6	-58.3	-79.1	0	0	0	110.4	F616 K619 F622	F607-F616 HydrophobicContact CB-CB 4.25Å; F607-F616 PolarHBondContact N-O 2.96Å; F607-F616 VanDerWaalsContact N-O 3.13Å; F607-F616 PolarHBondContact O-N 3.25Å; F607-K619 HydrophobicContact CD1-CB 4.47Å; F607-K619 HydrophobicContact CE1-CB 3.99Å; F607-K619 HydrophobicContact CE1-CG 4.23Å; F607-K619 HydrophobicContact CE2-CB 4.12Å; F607-K619 HydrophobicContact CZ-CB 3.8Å; F607-F622 HydrophobicContact CB-CB 3.74Å; F607-F622 HydrophobicContact CB-CD1 4.46Å; F607-F622 HydrophobicContact CB-CD2 3.76Å; F607-F622 HydrophobicContact CB-CE2 4.46Å; F607-F622 HydrophobicContact CB-CG 3.75Å; F607-F622 HydrophobicContact CG-CB 4.32Å; F607-F622 HydrophobicContact CG-CG 4.46Å
608	T	75.2	Confident	71.7	Confident	82 Å²	82	82.8 Å²	82.8	50%	0.503	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	128.2	174	41.2	0	0	0	0	110.6	A615 F622	T608-A615 HydrophobicContact CG2-CB 3.78Å; T608-F622 WeakPolarHBondContact O-CE2 3.37Å
609	C	79.4	Confident	71.7	Confident	4 Å²	4	87.5 Å²	87.5	3%	0.027	45%	0.447	C	S	.	.			trans	-77.7	120.1	169	-175.9	0	0	0	0	110.3	T611 C612 G613 A614 F622 H625 H629	C609-T611 PolarHBondContact O-N 3.47Å; C609-C612 PolarHBondContact O-N 3.25Å; C609-G613 VanDerWaalsContact O-CA 3.23Å; C609-G613 WeakPolarHBondContact O-CA 3.43Å; C609-G613 PolarHBondContact O-N 2.94Å; C609-A614 PolarHBondContact N-O 3.09Å; C609-F622 HydrophobicContact CB-CE2 4.26Å; C609-H625 WeakPolarHBondContact CB-NE2 3.2Å; C609-H629 PolarHBondContact SG-CD2 2.86Å; C609-H629 PolarHBondContact SG-NE2 2.92Å
610	E	75.4	Confident	71.9	Confident	196 Å²	196	88.3 Å²	88.3	92%	0.916	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-31.5	177.3	-66.1	170.3	178.1	0	0	112	C612	E610-C612 PolarHBondContact O-N 3.49Å
611	T	73.5	Confident	72.4	Confident	101 Å²	101	85.2 Å²	85.2	62%	0.62	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-23.5	-177.2	-36.5	0	0	0	0	114.3	C609 H629	C609-T611 PolarHBondContact O-N 3.47Å; T611-H629 HydrophobicContact CG2-CB 4.07Å
612	C	76	Confident	72.7	Confident	69 Å²	69	84.5 Å²	84.5	47%	0.466	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.7	10.3	-179.5	73.8	0	0	0	0	116.2	C609 E610 A614 H625 H629	C609-C612 PolarHBondContact O-N 3.25Å; E610-C612 PolarHBondContact O-N 3.49Å; C612-A614 PolarHBondContact O-N 3.45Å; C612-A614 VanDerWaalsContact SG-CB 3.51Å; C612-H625 VanDerWaalsContact SG-CE1 3.51Å; C612-H625 PolarHBondContact SG-NE2 2.9Å; C612-H629 PolarHBondContact SG-CE1 2.87Å; C612-H629 PolarHBondContact SG-NE2 3.08Å
613	G	77.2	Confident	73.4	Confident	54 Å²	54	82 Å²	82	56%	0.557	43%	0.43	S	S	*	.			trans	69.7	-4.6	-178.4	0	0	0	0	0	115.9	C609 A615	C609-G613 VanDerWaalsContact O-CA 3.23Å; C609-G613 WeakPolarHBondContact O-CA 3.43Å; C609-G613 PolarHBondContact O-N 2.94Å; G613-A615 PolarHBondContact O-N 3.43Å
614	A	79	Confident	74.6	Confident	32 Å²	32	85.5 Å²	85.5	26%	0.264	45%	0.45	S	S	.	.			trans	-62.7	122.1	-176.5	0	0	0	0	0	111.5	C609 C612 F616	C609-A614 PolarHBondContact N-O 3.09Å; C612-A614 PolarHBondContact O-N 3.45Å; C612-A614 VanDerWaalsContact SG-CB 3.51Å; A614-F616 HydrophobicContact CB-CE2 3.66Å; A614-F616 HydrophobicContact CB-CZ 3.99Å; A614-F616 WeakPolarHBondContact O-CD2 3.47Å; A614-F616 VanDerWaalsContact O-CE2 3.31Å; A614-F616 WeakPolarHBondContact O-CE2 3.48Å
615	A	77.7	Confident	75.7	Confident	36 Å²	36	82.7 Å²	82.7	30%	0.298	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	116.5	-168.3	0	0	0	0	0	112.4	K605 T608 G613	K605-A615 HydrophobicContact CB-CB 3.76Å; K605-A615 HydrophobicContact CD-CB 3.64Å; K605-A615 HydrophobicContact CG-CB 4.35Å; T608-A615 HydrophobicContact CG2-CB 3.78Å; G613-A615 PolarHBondContact O-N 3.43Å
616	F	77.5	Confident	76.9	Confident	47 Å²	47	78.6 Å²	78.6	21%	0.206	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	145.3	-173.1	-60	-92.3	0	0	0	112.1	R606 F607 A614 N621 F622 H625	R606-F616 PolarHBondContact N-O 3.29Å; F607-F616 HydrophobicContact CB-CB 4.25Å; F607-F616 PolarHBondContact N-O 2.96Å; F607-F616 VanDerWaalsContact N-O 3.13Å; F607-F616 PolarHBondContact O-N 3.25Å; A614-F616 HydrophobicContact CB-CE2 3.66Å; A614-F616 HydrophobicContact CB-CZ 3.99Å; A614-F616 WeakPolarHBondContact O-CD2 3.47Å; A614-F616 VanDerWaalsContact O-CE2 3.31Å; A614-F616 WeakPolarHBondContact O-CE2 3.48Å; F616-N621 HydrophobicContact CD1-CB 3.91Å; F616-F622 HydrophobicContact CB-CB 4.19Å; F616-F622 HydrophobicContact CD2-CB 4.32Å; F616-F622 HydrophobicContact CD2-CD2 4.14Å; F616-F622 HydrophobicContact CG-CB 4.36Å; F616-H625 HydrophobicContact CE1-CB 4.08Å; F616-H625 HydrophobicContact CE2-CB 3.77Å; F616-H625 AromaticContact CE2-CD2 3.28Å; F616-H625 WeakPolarHBondContact CE2-CD2 3.46Å; F616-H625 AromaticContact CE2-CG 3.39Å; F616-H625 AromaticContact CE2-ND1 3.97Å; F616-H625 AromaticContact CE2-NE2 3.78Å; F616-H625 HydrophobicContact CZ-CB 3.49Å; F616-H625 VanDerWaalsContact CZ-CB 3.49Å; F616-H625 AromaticContact CZ-CD2 3.67Å; F616-H625 AromaticContact CZ-CG 3.26Å; F616-H625 AromaticContact CZ-ND1 3.54Å
617	K	72.4	Confident	77.3	Confident	70 Å²	70	76.4 Å²	76.4	30%	0.304	41%	0.411	S	S	.	.	S	Bend	trans	-84	-15	174.7	-71.3	-173.9	172.9	-177	0	113.8	W600 K605	W600-K617 HydrophobicContact CG-CD 4.16Å; W600-K617 PolarHBondContact O-NZ 3.19Å; K605-K617 HydrophobicContact CG-CG 4.45Å
618	M	75.3	Confident	77.3	Confident	61 Å²	61	78.3 Å²	78.3	30%	0.3	43%	0.428	S	S	.	.	S	Bend	trans	-133.5	136.4	-177.1	-64.4	-169.2	-64.6	0	0	111.1	I596 E620 N621 F622	I596-M618 HydrophobicContact CG2-SD 3.86Å; M618-E620 VanDerWaalsContact C-N 3.34Å; M618-E620 PolarHBondContact O-N 3.1Å; M618-N621 PolarHBondContact O-N 3.25Å; M618-F622 PolarHBondContact O-N 3.39Å
619	K	79.8	Confident	77.1	Confident	122 Å²	122	77.4 Å²	77.4	53%	0.53	42%	0.418	S	S	.	.	H	α-helix	trans	-59.1	-41.1	179.4	-174.7	176.4	175.3	175.9	0	112.6	F607 N621 F622 D623	F607-K619 HydrophobicContact CD1-CB 4.47Å; F607-K619 HydrophobicContact CE1-CB 3.99Å; F607-K619 HydrophobicContact CE1-CG 4.23Å; F607-K619 HydrophobicContact CE2-CB 4.12Å; F607-K619 HydrophobicContact CZ-CB 3.8Å; K619-N621 VanDerWaalsContact C-N 3.28Å; K619-N621 PolarHBondContact O-N 2.66Å; K619-F622 CarbonylContact O-C 3.56Å; K619-F622 WeakPolarHBondContact O-CA 3.4Å; K619-F622 WeakPolarHBondContact O-CB 3.26Å; K619-F622 PolarHBondContact O-N 2.9Å; K619-D623 WeakPolarHBondContact CE-OD1 3.44Å; K619-D623 WeakPolarHBondContact CE-OD2 3.37Å; K619-D623 PolarHBondContact O-N 3.35Å
620	E	79.3	Confident	76.2	Confident	149 Å²	149	84.3 Å²	84.3	70%	0.696	45%	0.448	S	S	*	.	H	α-helix	trans	-58	-39.2	-179.8	-66.5	169	-166	0	0	112.5	M618 V624	M618-E620 VanDerWaalsContact C-N 3.34Å; M618-E620 PolarHBondContact O-N 3.1Å; E620-V624 WeakPolarHBondContact O-CG2 3.3Å; E620-V624 PolarHBondContact O-N 2.96Å
621	N	80.1	Confident	75.2	Confident	84 Å²	84	80.3 Å²	80.3	45%	0.449	44%	0.439	S	S	.	.	H	α-helix	trans	-72.9	-35.2	176.2	-69.5	13.4	0	0	0	111.9	F616 M618 K619 H625	F616-N621 HydrophobicContact CD1-CB 3.91Å; M618-N621 PolarHBondContact O-N 3.25Å; K619-N621 VanDerWaalsContact C-N 3.28Å; K619-N621 PolarHBondContact O-N 2.66Å; N621-H625 VanDerWaalsContact O-CB 3.29Å; N621-H625 WeakPolarHBondContact O-CB 3.47Å; N621-H625 PolarHBondContact O-N 2.68Å
622	F	84.3	Confident	74.2	Confident	46 Å²	46	80.9 Å²	80.9	20%	0.202	45%	0.445	C	S	.	.	H	α-helix	trans	-65.1	-47.5	173.7	172.9	-97.3	0	0	0	111.5	F607 T608 C609 F616 M618 K619 V624 H625 V626	F607-F622 HydrophobicContact CB-CB 3.74Å; F607-F622 HydrophobicContact CB-CD1 4.46Å; F607-F622 HydrophobicContact CB-CD2 3.76Å; F607-F622 HydrophobicContact CB-CE2 4.46Å; F607-F622 HydrophobicContact CB-CG 3.75Å; F607-F622 HydrophobicContact CG-CB 4.32Å; F607-F622 HydrophobicContact CG-CG 4.46Å; T608-F622 WeakPolarHBondContact O-CE2 3.37Å; C609-F622 HydrophobicContact CB-CE2 4.26Å; F616-F622 HydrophobicContact CB-CB 4.19Å; F616-F622 HydrophobicContact CD2-CB 4.32Å; F616-F622 HydrophobicContact CD2-CD2 4.14Å; F616-F622 HydrophobicContact CG-CB 4.36Å; M618-F622 PolarHBondContact O-N 3.39Å; K619-F622 CarbonylContact O-C 3.56Å; K619-F622 WeakPolarHBondContact O-CA 3.4Å; K619-F622 WeakPolarHBondContact O-CB 3.26Å; K619-F622 PolarHBondContact O-N 2.9Å; F622-V624 PolarHBondContact O-N 3.48Å; F622-H625 CarbonylContact O-C 3.6Å; F622-H625 WeakPolarHBondContact O-CA 3.3Å; F622-H625 WeakPolarHBondContact O-CB 3.47Å; F622-H625 PolarHBondContact O-N 2.71Å; F622-V626 HydrophobicContact CD1-CG2 4.1Å; F622-V626 HydrophobicContact CD2-CG2 4.1Å; F622-V626 HydrophobicContact CE1-CG2 3.73Å; F622-V626 HydrophobicContact CE2-CG2 3.74Å; F622-V626 HydrophobicContact CG-CG2 4.28Å; F622-V626 HydrophobicContact CZ-CG2 3.55Å; F622-V626 WeakPolarHBondContact O-CG2 3.35Å; F622-V626 PolarHBondContact O-N 2.84Å
623	D	79	Confident	73.5	Confident	68 Å²	68	81.1 Å²	81.1	36%	0.364	44%	0.437	S	S	.	.	H	α-helix	trans	-62.3	-30.4	178.3	-66.8	-13.9	0	0	0	112.1	K619 K627	K619-D623 WeakPolarHBondContact CE-OD1 3.44Å; K619-D623 WeakPolarHBondContact CE-OD2 3.37Å; K619-D623 PolarHBondContact O-N 3.35Å; D623-K627 WeakPolarHBondContact O-CG 3.36Å
624	V	80.5	Confident	73.1	Confident	96 Å²	96	83.3 Å²	83.3	58%	0.582	44%	0.442	S	S	*	.	H	α-helix	trans	-74.7	-40.7	170.9	170.4	0	0	0	0	111.5	E620 F622 K627	E620-V624 WeakPolarHBondContact O-CG2 3.3Å; E620-V624 PolarHBondContact O-N 2.96Å; F622-V624 PolarHBondContact O-N 3.48Å; V624-K627 WeakPolarHBondContact O-CB 3.28Å; V624-K627 PolarHBondContact O-N 2.83Å
625	H	80.8	Confident	72.5	Confident	30 Å²	30	85.2 Å²	85.2	14%	0.139	45%	0.445	C	S	.	.	H	α-helix	trans	-67.8	-41.6	178.7	170.6	75.2	0	0	0	113.3	C609 C612 F616 N621 F622 K627 V628 H629	C609-H625 WeakPolarHBondContact CB-NE2 3.2Å; C612-H625 VanDerWaalsContact SG-CE1 3.51Å; C612-H625 PolarHBondContact SG-NE2 2.9Å; F616-H625 HydrophobicContact CE1-CB 4.08Å; F616-H625 HydrophobicContact CE2-CB 3.77Å; F616-H625 AromaticContact CE2-CD2 3.28Å; F616-H625 WeakPolarHBondContact CE2-CD2 3.46Å; F616-H625 AromaticContact CE2-CG 3.39Å; F616-H625 AromaticContact CE2-ND1 3.97Å; F616-H625 AromaticContact CE2-NE2 3.78Å; F616-H625 HydrophobicContact CZ-CB 3.49Å; F616-H625 VanDerWaalsContact CZ-CB 3.49Å; F616-H625 AromaticContact CZ-CD2 3.67Å; F616-H625 AromaticContact CZ-CG 3.26Å; F616-H625 AromaticContact CZ-ND1 3.54Å; N621-H625 VanDerWaalsContact O-CB 3.29Å; N621-H625 WeakPolarHBondContact O-CB 3.47Å; N621-H625 PolarHBondContact O-N 2.68Å; F622-H625 CarbonylContact O-C 3.6Å; F622-H625 WeakPolarHBondContact O-CA 3.3Å; F622-H625 WeakPolarHBondContact O-CB 3.47Å; F622-H625 PolarHBondContact O-N 2.71Å; H625-K627 PolarHBondContact O-N 2.93Å; H625-K627 VanDerWaalsContact O-N 3.16Å; H625-V628 WeakPolarHBondContact O-CA 3.27Å; H625-V628 VanDerWaalsContact O-CB 3.22Å; H625-V628 WeakPolarHBondContact O-CB 3.47Å; H625-V628 WeakPolarHBondContact O-CG2 3.42Å; H625-V628 PolarHBondContact O-N 3Å; H625-H629 AromaticContact CD2-NE2 3.79Å; H625-H629 AromaticContact CE1-CE1 3.98Å; H625-H629 AromaticContact CE1-NE2 3.28Å; H625-H629 PolarHBondContact CE1-NE2 2.92Å; H625-H629 VanDerWaalsContact CE1-NE2 3.28Å; H625-H629 AromaticContact NE2-CD2 3.73Å; H625-H629 AromaticContact NE2-CE1 3.99Å; H625-H629 AromaticContact NE2-NE2 2.95Å; H625-H629 PolarHBondContact NE2-NE2 2.86Å
626	V	78.4	Confident	72.1	Confident	54 Å²	54	85.1 Å²	85.1	33%	0.327	45%	0.447	S	S	.	.	H	α-helix	trans	-60.4	-26.5	177.5	170.7	0	0	0	0	111.8	F622 V628 H629	F622-V626 HydrophobicContact CD1-CG2 4.1Å; F622-V626 HydrophobicContact CD2-CG2 4.1Å; F622-V626 HydrophobicContact CE1-CG2 3.73Å; F622-V626 HydrophobicContact CE2-CG2 3.74Å; F622-V626 HydrophobicContact CG-CG2 4.28Å; F622-V626 HydrophobicContact CZ-CG2 3.55Å; F622-V626 WeakPolarHBondContact O-CG2 3.35Å; F622-V626 PolarHBondContact O-N 2.84Å; V626-V628 VanDerWaalsContact C-N 3.26Å; V626-V628 PolarHBondContact O-N 2.86Å; V626-H629 PolarHBondContact O-N 3.48Å
627	K	74.5	Confident	71.9	Confident	134 Å²	134	83 Å²	83	58%	0.583	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-70.2	-18.6	172.5	-66.2	171.7	-174.4	-179.2	0	113.8	D623 V624 H625 H629	D623-K627 WeakPolarHBondContact O-CG 3.36Å; V624-K627 WeakPolarHBondContact O-CB 3.28Å; V624-K627 PolarHBondContact O-N 2.83Å; H625-K627 PolarHBondContact O-N 2.93Å; H625-K627 VanDerWaalsContact O-N 3.16Å; K627-H629 VanDerWaalsContact C-N 3.3Å
628	V	68.9	Low	71.7	Confident	109 Å²	109	86 Å²	86	66%	0.661	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-74.1	-25.1	175	-173.5	0	0	0	0	111.2	H625 V626 K630	H625-V628 WeakPolarHBondContact O-CA 3.27Å; H625-V628 VanDerWaalsContact O-CB 3.22Å; H625-V628 WeakPolarHBondContact O-CB 3.47Å; H625-V628 WeakPolarHBondContact O-CG2 3.42Å; H625-V628 PolarHBondContact O-N 3Å; V626-V628 VanDerWaalsContact C-N 3.26Å; V626-V628 PolarHBondContact O-N 2.86Å; V628-K630 VanDerWaalsContact C-N 3.35Å
629	H	69.6	Low	71.2	Confident	64 Å²	64	88.5 Å²	88.5	30%	0.296	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-86.9	0.1	177.8	-62.6	-55.9	0	0	0	114.5	C609 T611 C612 H625 V626 K627	C609-H629 PolarHBondContact SG-CD2 2.86Å; C609-H629 PolarHBondContact SG-NE2 2.92Å; T611-H629 HydrophobicContact CG2-CB 4.07Å; C612-H629 PolarHBondContact SG-CE1 2.87Å; C612-H629 PolarHBondContact SG-NE2 3.08Å; H625-H629 AromaticContact CD2-NE2 3.79Å; H625-H629 AromaticContact CE1-CE1 3.98Å; H625-H629 AromaticContact CE1-NE2 3.28Å; H625-H629 PolarHBondContact CE1-NE2 2.92Å; H625-H629 VanDerWaalsContact CE1-NE2 3.28Å; H625-H629 AromaticContact NE2-CD2 3.73Å; H625-H629 AromaticContact NE2-CE1 3.99Å; H625-H629 AromaticContact NE2-NE2 2.95Å; H625-H629 PolarHBondContact NE2-NE2 2.86Å; V626-H629 PolarHBondContact O-N 3.48Å; K627-H629 VanDerWaalsContact C-N 3.3Å
630	K	60.5	Low	70.9	Confident	148 Å²	148	85 Å²	85	64%	0.643	46%	0.462	S	S	*	.	S	Bend	trans	-75.4	144.1	171.8	-71.2	-164.1	171.3	-162.3	0	109.7	V628	V628-K630 VanDerWaalsContact C-N 3.35Å
631	P	54.3	Low	70.1	Confident	112 Å²	112	84.8 Å²	84.8	73%	0.727	46%	0.46	S	S	*	.	S	Bend	trans	-54.9	158.6	-178.4	20.4	-32.5	0	0	0	112.8	K633	P631-K633 PolarHBondContact O-N 2.87Å
632	P	53	Low	69.7	Low	114 Å²	114	88.2 Å²	88.2	74%	0.74	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-52.4	134.8	-163.6	18.3	-32.6	0	0	0	113.2
633	K	61.8	Low	69.3	Low	73 Å²	73	91.6 Å²	91.6	32%	0.317	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-66.5	136	-172.7	-39.6	177.7	162.2	-151.2	0	109.7	P631 F635 F643 Y644 D645	P631-K633 PolarHBondContact O-N 2.87Å; K633-F635 VanDerWaalsContact C-N 3.25Å; K633-F635 PolarHBondContact O-N 2.82Å; K633-F635 VanDerWaalsContact O-N 3.09Å; K633-F643 HydrophobicContact CB-CB 4Å; K633-F643 HydrophobicContact CG-CB 4.43Å; K633-F643 VanDerWaalsContact O-CD1 3.24Å; K633-F643 WeakPolarHBondContact O-CD1 3.41Å; K633-Y644 VanDerWaalsContact CB-C 3.48Å; K633-Y644 WeakPolarHBondContact CB-O 3.34Å; K633-D645 WeakPolarHBondContact CD-OD1 3.46Å; K633-D645 WeakPolarHBondContact CE-OD1 3.44Å; K633-D645 VanDerWaalsContact CG-OD1 3.29Å; K633-D645 WeakPolarHBondContact CG-OD1 3.35Å; K633-D645 IonicContact NZ-OD1 3.69Å; K633-D645 PolarHBondContact NZ-OD1 3.36Å; K633-D645 IonicContact NZ-OD2 3.1Å; K633-D645 PolarHBondContact NZ-OD2 3.36Å
634	P	68.5	Low	69.2	Low	101 Å²	101	90.4 Å²	90.4	66%	0.656	47%	0.473	S	S	*	.	S	Bend	trans	-67.4	-18.1	-164.9	23.1	-33.4	0	0	0	115.2
635	F	66.5	Low	68.7	Low	72 Å²	72	90 Å²	90	32%	0.316	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	87.8	-172.7	-57.8	-67.8	0	0	0	112.2	K633 F643 Y644 R646 I647 L650	K633-F635 VanDerWaalsContact C-N 3.25Å; K633-F635 PolarHBondContact O-N 2.82Å; K633-F635 VanDerWaalsContact O-N 3.09Å; F635-F643 CarbonylContact O-C 3.24Å; F635-F643 WeakPolarHBondContact O-CA 3.48Å; F635-Y644 PolarHBondContact N-O 2.94Å; F635-Y644 PolarHBondContact O-N 3.26Å; F635-R646 VanDerWaalsContact CD2-C 3.48Å; F635-I647 HydrophobicContact CD1-CB 4.28Å; F635-I647 HydrophobicContact CD1-CG1 4.38Å; F635-I647 HydrophobicContact CE1-CB 4.16Å; F635-I647 HydrophobicContact CE1-CD1 4.41Å; F635-I647 HydrophobicContact CE1-CG1 4.46Å; F635-I647 HydrophobicContact CZ-CB 4.29Å; F635-L650 HydrophobicContact CB-CB 4.08Å; F635-L650 HydrophobicContact CB-CD2 3.85Å
636	G	68.7	Low	68.5	Low	33 Å²	33	95.8 Å²	95.8	34%	0.34	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	144.1	174.3	0	0	0	0	0	113.6	R642 F643	G636-R642 CarbonylContact C-O 3.22Å; G636-R642 WeakPolarHBondContact CA-O 3.16Å; G636-F643 VanDerWaalsContact CA-CD1 3.46Å
637	C	74.3	Confident	68.4	Low	3 Å²	3	98.2 Å²	98.2	2%	0.02	50%	0.498	C	S	.	.			trans	-90.7	118.9	170.9	-173.4	0	0	0	0	111.9	L639 C640 H641 R642 L650 H653 H657	C637-L639 PolarHBondContact O-N 2.91Å; C637-L639 VanDerWaalsContact O-N 3.12Å; C637-C640 PolarHBondContact O-N 3.39Å; C637-H641 VanDerWaalsContact O-CA 3.24Å; C637-H641 WeakPolarHBondContact O-CA 3.45Å; C637-H641 PolarHBondContact O-N 3.35Å; C637-R642 PolarHBondContact N-O 2.99Å; C637-L650 HydrophobicContact CB-CD1 3.61Å; C637-H653 VanDerWaalsContact CB-CD2 3.48Å; C637-H653 WeakPolarHBondContact CB-CD2 3.5Å; C637-H653 WeakPolarHBondContact CB-NE2 3.32Å; C637-H653 PolarHBondContact SG-NE2 3.39Å; C637-H657 PolarHBondContact SG-CD2 3.05Å; C637-H657 PolarHBondContact SG-NE2 2.78Å
638	N	68.1	Low	68.6	Low	132 Å²	132	97.1 Å²	97.1	71%	0.706	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-17.1	176.4	61.9	-21.5	0	0	0	115.5
639	L	64.7	Low	69	Low	114 Å²	114	95.8 Å²	95.8	60%	0.597	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-13.3	-177.7	-65.5	174.7	0	0	0	114.8	C637 H657	C637-L639 PolarHBondContact O-N 2.91Å; C637-L639 VanDerWaalsContact O-N 3.12Å; L639-H657 HydrophobicContact CD1-CB 3.55Å
640	C	72.2	Confident	69.5	Low	49 Å²	49	94.2 Å²	94.2	33%	0.331	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.3	17.8	173.2	77.1	0	0	0	0	115.6	C637 R642 H653 H657	C637-C640 PolarHBondContact O-N 3.39Å; C640-R642 PolarHBondContact O-N 2.83Å; C640-H653 PolarHBondContact SG-CE1 3.47Å; C640-H653 PolarHBondContact SG-NE2 2.83Å; C640-H657 VanDerWaalsContact SG-CE1 3.51Å
641	H	64.1	Low	70.1	Confident	144 Å²	144	94.6 Å²	94.6	67%	0.667	47%	0.473	S	S	*	.			trans	53.7	28.5	172.5	-47	-73.7	0	0	0	115.2	C637 F643	C637-H641 VanDerWaalsContact O-CA 3.24Å; C637-H641 WeakPolarHBondContact O-CA 3.45Å; C637-H641 PolarHBondContact O-N 3.35Å; H641-F643 WeakPolarHBondContact O-CD2 3.39Å; H641-F643 WeakPolarHBondContact O-CE2 3.18Å
642	R	71.9	Confident	71.3	Confident	157 Å²	157	94.3 Å²	94.3	59%	0.592	47%	0.469	S	S	*	.			trans	-87.8	134.2	171	-76.6	-174.7	173.9	167.7	0.5	111.5	G636 C637 C640 Y644	G636-R642 CarbonylContact C-O 3.22Å; G636-R642 WeakPolarHBondContact CA-O 3.16Å; C637-R642 PolarHBondContact N-O 2.99Å; C640-R642 PolarHBondContact O-N 2.83Å; R642-Y644 HydrophobicContact CB-CE2 3.68Å; R642-Y644 WeakPolarHBondContact O-CD2 3.45Å; R642-Y644 WeakPolarHBondContact O-CE2 3.4Å
643	F	74.3	Confident	72.5	Confident	117 Å²	117	90.3 Å²	90.3	51%	0.513	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	144.8	-179	-62.7	-88.1	0	0	0	112.1	K633 F635 G636 H641	K633-F643 HydrophobicContact CB-CB 4Å; K633-F643 HydrophobicContact CG-CB 4.43Å; K633-F643 VanDerWaalsContact O-CD1 3.24Å; K633-F643 WeakPolarHBondContact O-CD1 3.41Å; F635-F643 CarbonylContact O-C 3.24Å; F635-F643 WeakPolarHBondContact O-CA 3.48Å; G636-F643 VanDerWaalsContact CA-CD1 3.46Å; H641-F643 WeakPolarHBondContact O-CD2 3.39Å; H641-F643 WeakPolarHBondContact O-CE2 3.18Å
644	Y	77.6	Confident	72.9	Confident	43 Å²	43	88.6 Å²	88.6	17%	0.169	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	149.3	-173.6	-68.8	-83.7	0	0	0	112.1	K633 F635 R642 R646 E649 L650 H653	K633-Y644 VanDerWaalsContact CB-C 3.48Å; K633-Y644 WeakPolarHBondContact CB-O 3.34Å; F635-Y644 PolarHBondContact N-O 2.94Å; F635-Y644 PolarHBondContact O-N 3.26Å; R642-Y644 HydrophobicContact CB-CE2 3.68Å; R642-Y644 WeakPolarHBondContact O-CD2 3.45Å; R642-Y644 WeakPolarHBondContact O-CE2 3.4Å; Y644-R646 VanDerWaalsContact C-N 3.29Å; Y644-R646 PolarHBondContact O-N 3.47Å; Y644-E649 HydrophobicContact CD1-CB 3.67Å; Y644-E649 HydrophobicContact CG-CB 4.14Å; Y644-L650 HydrophobicContact CD2-CB 4.25Å; Y644-L650 HydrophobicContact CD2-CD1 4.08Å; Y644-L650 HydrophobicContact CG-CB 4.41Å; Y644-H653 HydrophobicContact CE1-CB 4.16Å; Y644-H653 HydrophobicContact CE2-CB 3.8Å; Y644-H653 AromaticContact CE2-CD2 3.27Å; Y644-H653 WeakPolarHBondContact CE2-CD2 3.46Å; Y644-H653 AromaticContact CE2-CG 3.54Å; Y644-H653 AromaticContact CZ-CD2 3.71Å; Y644-H653 AromaticContact CZ-CG 3.47Å; Y644-H653 VanDerWaalsContact CZ-CG 3.47Å; Y644-H653 PolarHBondContact OH-ND1 3.14Å
645	D	70.7	Confident	72.8	Confident	87 Å²	87	86.1 Å²	86.1	47%	0.465	42%	0.421	S	S	.	.	S	Bend	trans	-77.8	-19.8	-176	-64.2	-44.5	0	0	0	112	K633	K633-D645 WeakPolarHBondContact CD-OD1 3.46Å; K633-D645 WeakPolarHBondContact CE-OD1 3.44Å; K633-D645 VanDerWaalsContact CG-OD1 3.29Å; K633-D645 WeakPolarHBondContact CG-OD1 3.35Å; K633-D645 IonicContact NZ-OD1 3.69Å; K633-D645 PolarHBondContact NZ-OD1 3.36Å; K633-D645 IonicContact NZ-OD2 3.1Å; K633-D645 PolarHBondContact NZ-OD2 3.36Å
646	R	76.5	Confident	72.5	Confident	152 Å²	152	84.2 Å²	84.2	57%	0.574	42%	0.422	S	S	*	.	S	Bend	trans	-140.4	150.1	-177.7	-57.5	-174.7	-178.4	-174.4	-3.1	111.5	F635 Y644 E648 E649 L650	F635-R646 VanDerWaalsContact CD2-C 3.48Å; Y644-R646 VanDerWaalsContact C-N 3.29Å; Y644-R646 PolarHBondContact O-N 3.47Å; R646-E648 VanDerWaalsContact C-N 3.25Å; R646-E648 WeakPolarHBondContact CB-OE2 3.4Å; R646-E648 WeakPolarHBondContact CD-OE2 3.34Å; R646-E648 PolarHBondContact O-N 3.4Å; R646-E649 HydrophobicContact CB-CG 4.29Å; R646-E649 PolarHBondContact O-N 2.99Å; R646-E649 VanDerWaalsContact O-N 3.15Å; R646-L650 PolarHBondContact O-N 3.31Å
647	I	76.7	Confident	72.3	Confident	105 Å²	105	85.9 Å²	85.9	54%	0.538	42%	0.42	S	S	.	.	H	α-helix	trans	-64.7	-28.6	176.3	-158.6	167.3	0	0	0	112.5	F635 E649 L650 Y651	F635-I647 HydrophobicContact CD1-CB 4.28Å; F635-I647 HydrophobicContact CD1-CG1 4.38Å; F635-I647 HydrophobicContact CE1-CB 4.16Å; F635-I647 HydrophobicContact CE1-CD1 4.41Å; F635-I647 HydrophobicContact CE1-CG1 4.46Å; F635-I647 HydrophobicContact CZ-CB 4.29Å; I647-E649 VanDerWaalsContact C-N 3.34Å; I647-E649 PolarHBondContact O-N 3.38Å; I647-L650 PolarHBondContact O-N 2.87Å; I647-Y651 WeakPolarHBondContact O-CB 3.47Å; I647-Y651 PolarHBondContact O-N 3.18Å
648	E	78.8	Confident	71.4	Confident	110 Å²	110	92.7 Å²	92.7	51%	0.514	45%	0.45	S	S	.	.	H	α-helix	trans	-65.7	-36.8	174.3	-50.4	98.9	-153.1	0	0	112.2	R646 Y651 V652	R646-E648 VanDerWaalsContact C-N 3.25Å; R646-E648 WeakPolarHBondContact CB-OE2 3.4Å; R646-E648 WeakPolarHBondContact CD-OE2 3.34Å; R646-E648 PolarHBondContact O-N 3.4Å; E648-Y651 PolarHBondContact O-N 3.45Å; E648-V652 WeakPolarHBondContact O-CG2 3.32Å; E648-V652 PolarHBondContact O-N 3.37Å
649	E	77	Confident	70.7	Confident	81 Å²	81	91.8 Å²	91.8	38%	0.379	45%	0.451	S	S	.	.	H	α-helix	trans	-71.1	-40.2	177.6	-63.6	179.1	175.3	0	0	110.9	Y644 R646 I647 Y651 V652 H653	Y644-E649 HydrophobicContact CD1-CB 3.67Å; Y644-E649 HydrophobicContact CG-CB 4.14Å; R646-E649 HydrophobicContact CB-CG 4.29Å; R646-E649 PolarHBondContact O-N 2.99Å; R646-E649 VanDerWaalsContact O-N 3.15Å; I647-E649 VanDerWaalsContact C-N 3.34Å; I647-E649 PolarHBondContact O-N 3.38Å; E649-Y651 VanDerWaalsContact C-N 3.31Å; E649-Y651 PolarHBondContact O-N 3.31Å; E649-V652 PolarHBondContact O-N 2.99Å; E649-H653 VanDerWaalsContact O-CB 3.25Å; E649-H653 WeakPolarHBondContact O-CB 3.42Å; E649-H653 PolarHBondContact O-N 2.8Å
650	L	80.2	Confident	70.2	Confident	31 Å²	31	90.8 Å²	90.8	16%	0.162	45%	0.45	C	S	.	.	H	α-helix	trans	-60.7	-39.7	170.1	175.6	60.8	0	0	0	111.3	F635 C637 Y644 R646 I647 H653 S654	F635-L650 HydrophobicContact CB-CB 4.08Å; F635-L650 HydrophobicContact CB-CD2 3.85Å; C637-L650 HydrophobicContact CB-CD1 3.61Å; Y644-L650 HydrophobicContact CD2-CB 4.25Å; Y644-L650 HydrophobicContact CD2-CD1 4.08Å; Y644-L650 HydrophobicContact CG-CB 4.41Å; R646-L650 PolarHBondContact O-N 3.31Å; I647-L650 PolarHBondContact O-N 2.87Å; L650-H653 CarbonylContact O-C 3.53Å; L650-H653 PolarHBondContact O-N 2.95Å; L650-S654 VanDerWaalsContact O-CB 3.29Å; L650-S654 WeakPolarHBondContact O-CB 3.41Å; L650-S654 PolarHBondContact O-N 3.3Å; L650-S654 PolarHBondContact O-OG 2.84Å
651	Y	73.2	Confident	69.5	Low	156 Å²	156	88.9 Å²	88.9	61%	0.612	44%	0.439	S	S	*	.	H	α-helix	trans	-68.4	-44	178.3	-174.4	-95.7	0	0	0	112.7	I647 E648 E649 H653 S654 T655	I647-Y651 WeakPolarHBondContact O-CB 3.47Å; I647-Y651 PolarHBondContact O-N 3.18Å; E648-Y651 PolarHBondContact O-N 3.45Å; E649-Y651 VanDerWaalsContact C-N 3.31Å; E649-Y651 PolarHBondContact O-N 3.31Å; Y651-H653 PolarHBondContact O-N 2.84Å; Y651-S654 PolarHBondContact O-N 3.24Å; Y651-S654 PolarHBondContact O-OG 3.22Å; Y651-T655 HydrophobicContact CD1-CG2 4.2Å; Y651-T655 HydrophobicContact CE1-CG2 3.83Å; Y651-T655 HydrophobicContact CE2-CG2 4.43Å; Y651-T655 WeakPolarHBondContact O-CB 3.3Å; Y651-T655 WeakPolarHBondContact O-CG2 3.43Å; Y651-T655 PolarHBondContact O-N 3.47Å; Y651-T655 PolarHBondContact O-OG1 2.92Å
652	V	78.3	Confident	69.5	Low	106 Å²	106	91 Å²	91	64%	0.642	45%	0.446	S	S	*	.	H	α-helix	trans	-64.2	-31.7	173.3	172.5	0	0	0	0	111.2	E648 E649 T655	E648-V652 WeakPolarHBondContact O-CG2 3.32Å; E648-V652 PolarHBondContact O-N 3.37Å; E649-V652 PolarHBondContact O-N 2.99Å; V652-T655 WeakPolarHBondContact CA-OG1 3.24Å; V652-T655 PolarHBondContact O-OG1 3.04Å
653	H	77.7	Confident	69.2	Low	30 Å²	30	87.6 Å²	87.6	14%	0.139	43%	0.434	C	S	.	.	H	α-helix	trans	-73.1	-43.7	172.8	172.2	52.8	0	0	0	113.1	C637 C640 Y644 E649 L650 Y651 G656 H657	C637-H653 VanDerWaalsContact CB-CD2 3.48Å; C637-H653 WeakPolarHBondContact CB-CD2 3.5Å; C637-H653 WeakPolarHBondContact CB-NE2 3.32Å; C637-H653 PolarHBondContact SG-NE2 3.39Å; C640-H653 PolarHBondContact SG-CE1 3.47Å; C640-H653 PolarHBondContact SG-NE2 2.83Å; Y644-H653 HydrophobicContact CE1-CB 4.16Å; Y644-H653 HydrophobicContact CE2-CB 3.8Å; Y644-H653 AromaticContact CE2-CD2 3.27Å; Y644-H653 WeakPolarHBondContact CE2-CD2 3.46Å; Y644-H653 AromaticContact CE2-CG 3.54Å; Y644-H653 AromaticContact CZ-CD2 3.71Å; Y644-H653 AromaticContact CZ-CG 3.47Å; Y644-H653 VanDerWaalsContact CZ-CG 3.47Å; Y644-H653 PolarHBondContact OH-ND1 3.14Å; E649-H653 VanDerWaalsContact O-CB 3.25Å; E649-H653 WeakPolarHBondContact O-CB 3.42Å; E649-H653 PolarHBondContact O-N 2.8Å; L650-H653 CarbonylContact O-C 3.53Å; L650-H653 PolarHBondContact O-N 2.95Å; Y651-H653 PolarHBondContact O-N 2.84Å; H653-G656 WeakPolarHBondContact O-CA 3.26Å; H653-G656 PolarHBondContact O-N 3.46Å; H653-H657 AromaticContact CD2-NE2 3.97Å; H653-H657 AromaticContact CE1-CE1 3.71Å; H653-H657 AromaticContact CE1-NE2 3.28Å; H653-H657 PolarHBondContact CE1-NE2 3.04Å; H653-H657 VanDerWaalsContact CE1-NE2 3.28Å; H653-H657 AromaticContact NE2-CD2 3.98Å; H653-H657 AromaticContact NE2-CE1 3.88Å; H653-H657 AromaticContact NE2-NE2 3.08Å; H653-H657 PolarHBondContact NE2-NE2 3.07Å
654	S	71.4	Confident	68.7	Low	38 Å²	38	85.1 Å²	85.1	27%	0.266	43%	0.43	S	S	.	.	H	α-helix	trans	-75.2	-32.1	-175.4	69.7	0	0	0	0	113	L650 Y651 G656 H657	L650-S654 VanDerWaalsContact O-CB 3.29Å; L650-S654 WeakPolarHBondContact O-CB 3.41Å; L650-S654 PolarHBondContact O-N 3.3Å; L650-S654 PolarHBondContact O-OG 2.84Å; Y651-S654 PolarHBondContact O-N 3.24Å; Y651-S654 PolarHBondContact O-OG 3.22Å; S654-G656 PolarHBondContact O-N 3.45Å; S654-H657 PolarHBondContact O-N 3.41Å
655	T	66.9	Low	68.6	Low	49 Å²	49	83.4 Å²	83.4	30%	0.301	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-59.1	-24.6	163.5	50.8	0	0	0	0	112.1	Y651 V652 H657 K658	Y651-T655 HydrophobicContact CD1-CG2 4.2Å; Y651-T655 HydrophobicContact CE1-CG2 3.83Å; Y651-T655 HydrophobicContact CE2-CG2 4.43Å; Y651-T655 WeakPolarHBondContact O-CB 3.3Å; Y651-T655 WeakPolarHBondContact O-CG2 3.43Å; Y651-T655 PolarHBondContact O-N 3.47Å; Y651-T655 PolarHBondContact O-OG1 2.92Å; V652-T655 WeakPolarHBondContact CA-OG1 3.24Å; V652-T655 PolarHBondContact O-OG1 3.04Å; T655-H657 VanDerWaalsContact C-N 3.33Å; T655-H657 PolarHBondContact O-N 2.98Å; T655-K658 PolarHBondContact O-N 2.75Å
656	G	60.2	Low	68.6	Low	32 Å²	32	87.3 Å²	87.3	33%	0.33	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-70	-18.2	171.8	0	0	0	0	0	115.9	H653 S654	H653-G656 WeakPolarHBondContact O-CA 3.26Å; H653-G656 PolarHBondContact O-N 3.46Å; S654-G656 PolarHBondContact O-N 3.45Å
657	H	62.7	Low	68.1	Low	67 Å²	67	87.1 Å²	87.1	31%	0.31	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-86.6	-18.2	175.6	-68.3	-58	0	0	0	113.4	C637 L639 C640 H653 S654 T655	C637-H657 PolarHBondContact SG-CD2 3.05Å; C637-H657 PolarHBondContact SG-NE2 2.78Å; L639-H657 HydrophobicContact CD1-CB 3.55Å; C640-H657 VanDerWaalsContact SG-CE1 3.51Å; H653-H657 AromaticContact CD2-NE2 3.97Å; H653-H657 AromaticContact CE1-CE1 3.71Å; H653-H657 AromaticContact CE1-NE2 3.28Å; H653-H657 PolarHBondContact CE1-NE2 3.04Å; H653-H657 VanDerWaalsContact CE1-NE2 3.28Å; H653-H657 AromaticContact NE2-CD2 3.98Å; H653-H657 AromaticContact NE2-CE1 3.88Å; H653-H657 AromaticContact NE2-NE2 3.08Å; H653-H657 PolarHBondContact NE2-NE2 3.07Å; S654-H657 PolarHBondContact O-N 3.41Å; T655-H657 VanDerWaalsContact C-N 3.33Å; T655-H657 PolarHBondContact O-N 2.98Å
658	K	55.7	Low	67.9	Low	146 Å²	146	84.5 Å²	84.5	64%	0.635	44%	0.438	S	S	*	.	S	Bend	trans	-74	138.7	168.7	-67.5	-173	177.3	-177.4	0	108.8	T655 T660	T655-K658 PolarHBondContact O-N 2.75Å; K658-T660 HydrophobicContact CB-CG2 4.3Å; K658-T660 PolarHBondContact O-N 3.48Å
659	P	53.3	Low	67.5	Low	113 Å²	113	87.8 Å²	87.8	73%	0.734	45%	0.45	S	S	*	.	S	Bend	trans	-77	54.4	-174.5	32.2	-37.1	0	0	0	112.9
660	T	55	Low	67.1	Low	93 Å²	93	90 Å²	90	57%	0.571	46%	0.459	S	S	*	.			trans	-110.7	16.6	-174.1	56.2	0	0	0	0	113.2	K658 K662 F673	K658-T660 HydrophobicContact CB-CG2 4.3Å; K658-T660 PolarHBondContact O-N 3.48Å; T660-K662 PolarHBondContact O-N 3.27Å; T660-F673 WeakPolarHBondContact OG1-CE1 3.4Å
661	G	56.6	Low	66.6	Low	10 Å²	10	90.8 Å²	90.8	10%	0.103	47%	0.465	C	S	.	.			trans	-71.6	124	178.3	0	0	0	0	0	112.8	Y663 F672	G661-Y663 PolarHBondContact O-N 2.7Å; G661-F672 CarbonylContact C-O 3.58Å; G661-F672 VanDerWaalsContact C-O 3.31Å; G661-F672 WeakPolarHBondContact CA-O 3.39Å
662	K	64	Low	66.6	Low	188 Å²	188	85.3 Å²	85.3	82%	0.817	45%	0.445	S	S	*	.	S	Bend	trans	-58.3	-17.6	-178.4	-69.1	-170.6	176.3	-173.4	0	115.6	T660 F672	T660-K662 PolarHBondContact O-N 3.27Å; K662-F672 PolarHBondContact N-O 3.18Å
663	Y	66.6	Low	66.2	Low	86 Å²	86	85.3 Å²	85.3	34%	0.337	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	102.8	-178.5	-59.3	-82.3	0	0	0	110.5	G661 T671 F672 K675 F678	G661-Y663 PolarHBondContact O-N 2.7Å; Y663-T671 CarbonylContact O-C 3.47Å; Y663-T671 WeakPolarHBondContact O-CA 3.41Å; Y663-F672 PolarHBondContact N-O 3.15Å; Y663-F672 PolarHBondContact O-N 3.05Å; Y663-K675 HydrophobicContact CE1-CB 4.23Å; Y663-K675 HydrophobicContact CE1-CG 4.36Å; Y663-K675 HydrophobicContact CE2-CB 4.1Å; Y663-K675 VanDerWaalsContact CE2-N 3.27Å; Y663-F678 HydrophobicContact CD1-CB 4.5Å; Y663-F678 HydrophobicContact CD1-CD1 4.31Å; Y663-F678 HydrophobicContact CD1-CG 4.37Å; Y663-F678 HydrophobicContact CG-CB 3.98Å; Y663-F678 HydrophobicContact CG-CG 4.19Å
664	C	63.8	Low	66.1	Low	64 Å²	64	85.3 Å²	85.3	43%	0.432	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	135.8	174.9	-173.6	0	0	0	0	111.1	T671 F678	C664-T671 HydrophobicContact CB-CG2 4.38Å; C664-F678 WeakPolarHBondContact O-CE2 3.33Å
665	C	75.4	Confident	66.2	Low	7 Å²	7	89.3 Å²	89.3	5%	0.047	46%	0.457	C	S	.	.			trans	-86.1	114.2	169.9	-176.6	0	0	0	0	111.9	K667 C668 K669 K670 F678 H681 H685	C665-K667 PolarHBondContact O-N 3.05Å; C665-C668 PolarHBondContact O-N 3.02Å; C665-K669 VanDerWaalsContact O-CA 3.27Å; C665-K669 WeakPolarHBondContact O-CA 3.41Å; C665-K669 PolarHBondContact O-N 3.13Å; C665-K670 PolarHBondContact N-O 3.35Å; C665-F678 HydrophobicContact CB-CE2 4.37Å; C665-H681 VanDerWaalsContact CB-CD2 3.49Å; C665-H681 WeakPolarHBondContact CB-CD2 3.48Å; C665-H681 VanDerWaalsContact CB-NE2 3.28Å; C665-H681 WeakPolarHBondContact CB-NE2 3.45Å; C665-H681 PolarHBondContact SG-NE2 3Å; C665-H685 VanDerWaalsContact SG-CD2 3.59Å; C665-H685 PolarHBondContact SG-NE2 3.13Å
666	L	69.8	Low	66.8	Low	170 Å²	170	95.4 Å²	95.4	89%	0.89	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-32.1	178.8	-61.7	173	0	0	0	113.6
667	K	67.7	Low	67.5	Low	148 Å²	148	96.2 Å²	96.2	64%	0.643	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-17.4	-178.8	-75.3	-176.6	171.4	-178	0	115.4	C665 H685	C665-K667 PolarHBondContact O-N 3.05Å; K667-H685 HydrophobicContact CD-CB 3.43Å; K667-H685 VanDerWaalsContact CD-CB 3.43Å; K667-H685 PolarHBondContact NZ-O 3.03Å
668	C	72.2	Confident	68.4	Low	49 Å²	49	95.7 Å²	95.7	33%	0.331	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.8	13.5	178.5	70.9	0	0	0	0	115.8	C665 K670 H681	C665-C668 PolarHBondContact O-N 3.02Å; C668-K670 PolarHBondContact O-N 3.28Å; C668-H681 PolarHBondContact SG-CE1 3.41Å; C668-H681 PolarHBondContact SG-NE2 3.08Å
669	K	69.2	Low	69.5	Low	179 Å²	179	93 Å²	93	78%	0.778	47%	0.469	S	S	*	.			trans	57.3	8.7	176.7	-55.9	-178.9	-178.6	177.9	0	116.3	C665	C665-K669 VanDerWaalsContact O-CA 3.27Å; C665-K669 WeakPolarHBondContact O-CA 3.41Å; C665-K669 PolarHBondContact O-N 3.13Å
670	K	69.3	Low	70.6	Confident	128 Å²	128	91 Å²	91	56%	0.557	46%	0.458	S	S	*	.			trans	-69.3	130.1	175	-68.2	-176.1	-178.9	-175.8	0	111.2	C665 C668 F672	C665-K670 PolarHBondContact N-O 3.35Å; C668-K670 PolarHBondContact O-N 3.28Å; K670-F672 HydrophobicContact CB-CE2 3.65Å; K670-F672 HydrophobicContact CB-CZ 3.88Å; K670-F672 WeakPolarHBondContact O-CD2 3.36Å; K670-F672 WeakPolarHBondContact O-CE2 3.48Å
671	T	70.4	Confident	71.8	Confident	48 Å²	48	87.7 Å²	87.7	29%	0.294	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	135.6	179.2	55	0	0	0	0	112	Y663 C664	Y663-T671 CarbonylContact O-C 3.47Å; Y663-T671 WeakPolarHBondContact O-CA 3.41Å; C664-T671 HydrophobicContact CB-CG2 4.38Å
672	F	73.1	Confident	72.6	Confident	41 Å²	41	88.5 Å²	88.5	18%	0.18	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	141.7	-178.2	-60.8	-91.5	0	0	0	111.4	G661 K662 Y663 K670 A677 F678 H681	G661-F672 CarbonylContact C-O 3.58Å; G661-F672 VanDerWaalsContact C-O 3.31Å; G661-F672 WeakPolarHBondContact CA-O 3.39Å; K662-F672 PolarHBondContact N-O 3.18Å; Y663-F672 PolarHBondContact N-O 3.15Å; Y663-F672 PolarHBondContact O-N 3.05Å; K670-F672 HydrophobicContact CB-CE2 3.65Å; K670-F672 HydrophobicContact CB-CZ 3.88Å; K670-F672 WeakPolarHBondContact O-CD2 3.36Å; K670-F672 WeakPolarHBondContact O-CE2 3.48Å; F672-A677 HydrophobicContact CB-CB 4.46Å; F672-A677 HydrophobicContact CD1-CB 4.05Å; F672-F678 HydrophobicContact CB-CB 4.13Å; F672-F678 HydrophobicContact CD2-CB 4.48Å; F672-F678 HydrophobicContact CD2-CD2 4.27Å; F672-F678 HydrophobicContact CG-CB 4.42Å; F672-H681 HydrophobicContact CE1-CB 3.87Å; F672-H681 HydrophobicContact CE2-CB 3.83Å; F672-H681 AromaticContact CE2-CD2 3.25Å; F672-H681 WeakPolarHBondContact CE2-CD2 3.42Å; F672-H681 AromaticContact CE2-CG 3.41Å; F672-H681 VanDerWaalsContact CE2-CG 3.41Å; F672-H681 AromaticContact CE2-NE2 3.86Å; F672-H681 HydrophobicContact CZ-CB 3.45Å; F672-H681 VanDerWaalsContact CZ-CB 3.45Å; F672-H681 AromaticContact CZ-CD2 3.53Å; F672-H681 AromaticContact CZ-CG 3.16Å; F672-H681 AromaticContact CZ-ND1 3.57Å
673	F	69.9	Low	73.1	Confident	105 Å²	105	87.1 Å²	87.1	46%	0.461	43%	0.432	S	S	.	.	S	Bend	trans	-81.2	-17.6	-177.8	-67.6	-90.5	0	0	0	114.2	T660	T660-F673 WeakPolarHBondContact OG1-CE1 3.4Å
674	G	75	Confident	73.3	Confident	30 Å²	30	86.2 Å²	86.2	31%	0.309	43%	0.427	S	S	.	.	S	Bend	trans	-140.4	142.2	-175.9	0	0	0	0	0	114.2	K676 A677 F678	G674-K676 VanDerWaalsContact C-N 3.27Å; G674-K676 PolarHBondContact O-N 2.66Å; G674-A677 PolarHBondContact O-N 3.45Å; G674-F678 PolarHBondContact O-N 3.02Å
675	K	74.3	Confident	73.7	Confident	122 Å²	122	85.2 Å²	85.2	53%	0.53	42%	0.416	S	S	.	.	H	α-helix	trans	-53.3	-39.5	-176.1	-170.1	174.7	-179.3	176.2	0	113.3	Y663 F678 Q679	Y663-K675 HydrophobicContact CE1-CB 4.23Å; Y663-K675 HydrophobicContact CE1-CG 4.36Å; Y663-K675 HydrophobicContact CE2-CB 4.1Å; Y663-K675 VanDerWaalsContact CE2-N 3.27Å; K675-F678 PolarHBondContact O-N 2.85Å; K675-Q679 HydrophobicContact CG-CG 4.39Å; K675-Q679 WeakPolarHBondContact O-CB 3.47Å; K675-Q679 VanDerWaalsContact O-CG 3.3Å; K675-Q679 WeakPolarHBondContact O-CG 3.22Å; K675-Q679 PolarHBondContact O-N 2.94Å
676	K	78.9	Confident	73.4	Confident	178 Å²	178	91.7 Å²	91.7	77%	0.774	45%	0.446	S	S	*	.	H	α-helix	trans	-63.9	-42.7	177.5	-69.9	-173.8	178	-178.2	0	112.4	G674 Q679 S680	G674-K676 VanDerWaalsContact C-N 3.27Å; G674-K676 PolarHBondContact O-N 2.66Å; K676-Q679 PolarHBondContact O-N 3.1Å; K676-S680 WeakPolarHBondContact O-CB 3.2Å; K676-S680 PolarHBondContact O-N 3.39Å; K676-S680 PolarHBondContact O-OG 3.11Å
677	A	74.9	Confident	73.1	Confident	49 Å²	49	88.5 Å²	88.5	41%	0.405	43%	0.426	S	S	.	.	H	α-helix	trans	-67.3	-42.6	177.8	0	0	0	0	0	111.2	F672 G674 S680 H681	F672-A677 HydrophobicContact CB-CB 4.46Å; F672-A677 HydrophobicContact CD1-CB 4.05Å; G674-A677 PolarHBondContact O-N 3.45Å; A677-S680 PolarHBondContact O-N 3Å; A677-H681 WeakPolarHBondContact O-CB 3.38Å; A677-H681 PolarHBondContact O-N 3.31Å
678	F	81.5	Confident	73.1	Confident	56 Å²	56	85.3 Å²	85.3	25%	0.246	42%	0.421	C	S	.	.	H	α-helix	trans	-59.4	-46.9	172	171.9	-103.5	0	0	0	112.5	Y663 C664 C665 F672 G674 K675 H681 A682	Y663-F678 HydrophobicContact CD1-CB 4.5Å; Y663-F678 HydrophobicContact CD1-CD1 4.31Å; Y663-F678 HydrophobicContact CD1-CG 4.37Å; Y663-F678 HydrophobicContact CG-CB 3.98Å; Y663-F678 HydrophobicContact CG-CG 4.19Å; C664-F678 WeakPolarHBondContact O-CE2 3.33Å; C665-F678 HydrophobicContact CB-CE2 4.37Å; F672-F678 HydrophobicContact CB-CB 4.13Å; F672-F678 HydrophobicContact CD2-CB 4.48Å; F672-F678 HydrophobicContact CD2-CD2 4.27Å; F672-F678 HydrophobicContact CG-CB 4.42Å; G674-F678 PolarHBondContact O-N 3.02Å; K675-F678 PolarHBondContact O-N 2.85Å; F678-H681 CarbonylContact O-C 3.55Å; F678-H681 WeakPolarHBondContact O-CA 3.37Å; F678-H681 WeakPolarHBondContact O-CB 3.35Å; F678-H681 PolarHBondContact O-N 3.04Å; F678-H681 VanDerWaalsContact O-N 3.12Å; F678-A682 PolarHBondContact O-N 2.96Å
679	Q	78.9	Confident	72.8	Confident	89 Å²	89	86.2 Å²	86.2	42%	0.416	42%	0.419	S	S	.	.	H	α-helix	trans	-64.5	-41.7	177.9	-76	176.1	-37.2	0	0	112.4	K675 K676 H681 A682 R683	K675-Q679 HydrophobicContact CG-CG 4.39Å; K675-Q679 WeakPolarHBondContact O-CB 3.47Å; K675-Q679 VanDerWaalsContact O-CG 3.3Å; K675-Q679 WeakPolarHBondContact O-CG 3.22Å; K675-Q679 PolarHBondContact O-N 2.94Å; K676-Q679 PolarHBondContact O-N 3.1Å; Q679-H681 PolarHBondContact O-N 3.49Å; Q679-A682 PolarHBondContact O-N 3.33Å; Q679-R683 WeakPolarHBondContact O-CG 3.39Å; Q679-R683 PolarHBondContact O-N 3.05Å
680	S	76.8	Confident	73	Confident	72 Å²	72	79.4 Å²	79.4	50%	0.503	39%	0.393	S	S	.	.	H	α-helix	trans	-62.4	-28.8	173	-64.3	0	0	0	0	112.6	K676 A677	K676-S680 WeakPolarHBondContact O-CB 3.2Å; K676-S680 PolarHBondContact O-N 3.39Å; K676-S680 PolarHBondContact O-OG 3.11Å; A677-S680 PolarHBondContact O-N 3Å
681	H	78.7	Confident	73.1	Confident	22 Å²	22	75.2 Å²	75.2	10%	0.102	38%	0.375	C	S	.	.	H	α-helix	trans	-83.8	-33.1	173.5	173	71.8	0	0	0	113.7	C665 C668 F672 A677 F678 Q679 R683 W684 H685	C665-H681 VanDerWaalsContact CB-CD2 3.49Å; C665-H681 WeakPolarHBondContact CB-CD2 3.48Å; C665-H681 VanDerWaalsContact CB-NE2 3.28Å; C665-H681 WeakPolarHBondContact CB-NE2 3.45Å; C665-H681 PolarHBondContact SG-NE2 3Å; C668-H681 PolarHBondContact SG-CE1 3.41Å; C668-H681 PolarHBondContact SG-NE2 3.08Å; F672-H681 HydrophobicContact CE1-CB 3.87Å; F672-H681 HydrophobicContact CE2-CB 3.83Å; F672-H681 AromaticContact CE2-CD2 3.25Å; F672-H681 WeakPolarHBondContact CE2-CD2 3.42Å; F672-H681 AromaticContact CE2-CG 3.41Å; F672-H681 VanDerWaalsContact CE2-CG 3.41Å; F672-H681 AromaticContact CE2-NE2 3.86Å; F672-H681 HydrophobicContact CZ-CB 3.45Å; F672-H681 VanDerWaalsContact CZ-CB 3.45Å; F672-H681 AromaticContact CZ-CD2 3.53Å; F672-H681 AromaticContact CZ-CG 3.16Å; F672-H681 AromaticContact CZ-ND1 3.57Å; A677-H681 WeakPolarHBondContact O-CB 3.38Å; A677-H681 PolarHBondContact O-N 3.31Å; F678-H681 CarbonylContact O-C 3.55Å; F678-H681 WeakPolarHBondContact O-CA 3.37Å; F678-H681 WeakPolarHBondContact O-CB 3.35Å; F678-H681 PolarHBondContact O-N 3.04Å; F678-H681 VanDerWaalsContact O-N 3.12Å; Q679-H681 PolarHBondContact O-N 3.49Å; H681-R683 VanDerWaalsContact C-N 3.28Å; H681-R683 PolarHBondContact O-N 3.15Å; H681-W684 VanDerWaalsContact O-CB 3.28Å; H681-W684 WeakPolarHBondContact O-CB 3.42Å; H681-W684 PolarHBondContact O-N 3.07Å; H681-H685 AromaticContact CD2-NE2 3.9Å; H681-H685 AromaticContact CE1-NE2 3.32Å; H681-H685 PolarHBondContact CE1-NE2 3.46Å; H681-H685 VanDerWaalsContact CE1-NE2 3.32Å; H681-H685 AromaticContact NE2-CD2 3.84Å; H681-H685 AromaticContact NE2-NE2 3.01Å; H681-H685 PolarHBondContact NE2-NE2 2.87Å; H681-H685 PolarHBondContact O-CD2 2.66Å
682	A	74.3	Confident	73.2	Confident	27 Å²	27	75.1 Å²	75.1	22%	0.223	37%	0.374	C	S	.	.	H	α-helix	trans	-59.3	-43.7	175.8	0	0	0	0	0	110.5	F678 Q679 W684 H685	F678-A682 PolarHBondContact O-N 2.96Å; Q679-A682 PolarHBondContact O-N 3.33Å; A682-W684 PolarHBondContact O-N 2.91Å; A682-W684 VanDerWaalsContact O-N 3.13Å; A682-H685 WeakPolarHBondContact O-CB 3.44Å; A682-H685 PolarHBondContact O-N 2.66Å
683	R	74.8	Confident	73.3	Confident	160 Å²	160	73.1 Å²	73.1	60%	0.604	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-56.1	-27.9	173.5	-66.7	176.2	-169.9	-176.3	0.8	114.1	Q679 H681 H685 E686 Q687	Q679-R683 WeakPolarHBondContact O-CG 3.39Å; Q679-R683 PolarHBondContact O-N 3.05Å; H681-R683 VanDerWaalsContact C-N 3.28Å; H681-R683 PolarHBondContact O-N 3.15Å; R683-H685 PolarHBondContact O-N 2.77Å; R683-E686 PolarHBondContact O-N 3.14Å; R683-E686 VanDerWaalsContact O-N 3.16Å; R683-Q687 WeakPolarHBondContact O-CG 2.92Å; R683-Q687 PolarHBondContact O-N 3.33Å; R683-Q687 VanDerWaalsContact O-N 3.08Å
684	W	70.2	Confident	73.2	Confident	66 Å²	66	71.1 Å²	71.1	25%	0.25	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-65.5	-13.4	175.1	-94.3	88.2	0	0	0	113.7	H681 A682 K689 F700 P701 R705	H681-W684 VanDerWaalsContact O-CB 3.28Å; H681-W684 WeakPolarHBondContact O-CB 3.42Å; H681-W684 PolarHBondContact O-N 3.07Å; A682-W684 PolarHBondContact O-N 2.91Å; A682-W684 VanDerWaalsContact O-N 3.13Å; W684-K689 WeakPolarHBondContact O-CE 3.3Å; W684-F700 AromaticContact CH2-CD1 3.87Å; W684-F700 HydrophobicContact CH2-CD1 3.87Å; W684-F700 HydrophobicContact CH2-CE1 4.38Å; W684-F700 HydrophobicContact CZ3-CD1 4.33Å; W684-P701 HydrophobicContact CD2-CG 4.47Å; W684-P701 HydrophobicContact CE3-CG 4.25Å; W684-P701 HydrophobicContact CH2-CG 4.39Å; W684-P701 HydrophobicContact CZ3-CG 4.21Å; W684-R705 VanDerWaalsContact CE2-NH1 3.31Å; W684-R705 VanDerWaalsContact NE1-NH1 3.11Å
685	H	72.8	Confident	72.6	Confident	43 Å²	43	74 Å²	74	20%	0.199	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-100.7	-2.8	176.4	-60.6	-75.8	0	0	0	114.1	C665 K667 H681 A682 R683	C665-H685 VanDerWaalsContact SG-CD2 3.59Å; C665-H685 PolarHBondContact SG-NE2 3.13Å; K667-H685 HydrophobicContact CD-CB 3.43Å; K667-H685 VanDerWaalsContact CD-CB 3.43Å; K667-H685 PolarHBondContact NZ-O 3.03Å; H681-H685 AromaticContact CD2-NE2 3.9Å; H681-H685 AromaticContact CE1-NE2 3.32Å; H681-H685 PolarHBondContact CE1-NE2 3.46Å; H681-H685 VanDerWaalsContact CE1-NE2 3.32Å; H681-H685 AromaticContact NE2-CD2 3.84Å; H681-H685 AromaticContact NE2-NE2 3.01Å; H681-H685 PolarHBondContact NE2-NE2 2.87Å; H681-H685 PolarHBondContact O-CD2 2.66Å; A682-H685 WeakPolarHBondContact O-CB 3.44Å; A682-H685 PolarHBondContact O-N 2.66Å; R683-H685 PolarHBondContact O-N 2.77Å
686	E	69.1	Low	72.5	Confident	143 Å²	143	70.2 Å²	70.2	67%	0.668	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	-25.2	177.3	-67.4	158.7	-177.2	0	0	110.8	R683	R683-E686 PolarHBondContact O-N 3.14Å; R683-E686 VanDerWaalsContact O-N 3.16Å
687	Q	64.1	Low	72	Confident	103 Å²	103	68.1 Å²	68.1	48%	0.481	36%	0.362	S	S	.	.	S	Bend	trans	-74.1	133.4	176.4	-60.8	-107.9	-82.5	0	0	110.8	R683 P701	R683-Q687 WeakPolarHBondContact O-CG 2.92Å; R683-Q687 PolarHBondContact O-N 3.33Å; R683-Q687 VanDerWaalsContact O-N 3.08Å; Q687-P701 HydrophobicContact CB-CB 4.04Å
688	P	66.3	Low	71.9	Confident	82 Å²	82	73 Å²	73	53%	0.532	37%	0.37	S	S	.	.			trans	-60.4	147.3	165.4	27.4	-33.7	0	0	0	109.7	P690	P688-P690 VanDerWaalsContact C-CD 3.41Å; P688-P690 WeakPolarHBondContact O-CD 3.42Å
689	K	66.6	Low	71.6	Confident	68 Å²	68	72.4 Å²	72.4	30%	0.296	37%	0.373	S	S	.	.			trans	-122.9	66.7	-174.3	-57.7	175	-170.8	165.9	0	111.4	W684 F691 S699 F700	W684-K689 WeakPolarHBondContact O-CE 3.3Å; K689-F691 PolarHBondContact O-N 2.87Å; K689-S699 VanDerWaalsContact CD-OG 3.23Å; K689-S699 WeakPolarHBondContact CD-OG 3.09Å; K689-F700 CarbonylContact C-O 3.5Å; K689-F700 WeakPolarHBondContact CA-O 3.48Å
690	P	73.1	Confident	71.3	Confident	35 Å²	35	69.2 Å²	69.2	23%	0.227	36%	0.358	C	S	.	.			trans	-69.4	-14.6	-172.5	28.6	-35.9	0	0	0	114.3	P688 K726	P688-P690 VanDerWaalsContact C-CD 3.41Å; P688-P690 WeakPolarHBondContact O-CD 3.42Å; P690-K726 WeakPolarHBondContact CA-O 2.93Å; P690-K726 WeakPolarHBondContact CB-O 3.12Å; P690-K726 PolarHBondContact O-N 2.88Å
691	F	71.8	Confident	71.1	Confident	40 Å²	40	66.6 Å²	66.6	18%	0.175	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	105.3	-178.7	-56.4	-74.9	0	0	0	110.6	K689 S699 F700 T703 I706 A725	K689-F691 PolarHBondContact O-N 2.87Å; F691-S699 CarbonylContact O-C 3.6Å; F691-S699 WeakPolarHBondContact O-CA 3.24Å; F691-F700 HydrophobicContact CB-CB 4.29Å; F691-F700 PolarHBondContact N-O 3.4Å; F691-F700 PolarHBondContact O-N 3.17Å; F691-T703 VanDerWaalsContact CZ-OG1 3.29Å; F691-T703 WeakPolarHBondContact CZ-OG1 3.21Å; F691-I706 HydrophobicContact CB-CB 4.04Å; F691-I706 HydrophobicContact CB-CD1 3.96Å; F691-I706 HydrophobicContact CB-CG2 3.79Å; F691-I706 HydrophobicContact CD1-CG2 4.35Å; F691-I706 HydrophobicContact CG-CG2 4.12Å; F691-A725 HydrophobicContact CD1-CB 3.93Å; F691-A725 HydrophobicContact CE1-CB 3.93Å
692	V	71.7	Confident	70.9	Confident	46 Å²	46	68.4 Å²	68.4	28%	0.279	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	133.7	179.7	-172	0	0	0	0	110	I706	V692-I706 WeakPolarHBondContact O-CD1 3.33Å
693	C	75.9	Confident	70.9	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	36%	0.361	C	S	.	.			trans	-85.4	112.2	173.8	-178.4	0	0	0	0	110.9	L695 C696 D697 R698 F700 I706 H709 H713	C693-L695 PolarHBondContact O-N 2.95Å; C693-C696 PolarHBondContact O-N 3.18Å; C693-D697 WeakPolarHBondContact O-CA 3.46Å; C693-D697 PolarHBondContact O-N 3.46Å; C693-R698 PolarHBondContact N-O 3.06Å; C693-F700 HydrophobicContact CB-CE2 4.19Å; C693-I706 HydrophobicContact CB-CD1 4.31Å; C693-H709 WeakPolarHBondContact CB-NE2 3.43Å; C693-H709 PolarHBondContact SG-NE2 2.87Å; C693-H709 VanDerWaalsContact SG-NE2 3.35Å; C693-H713 PolarHBondContact SG-NE2 3.07Å
694	A	66.8	Low	70.9	Confident	63 Å²	63	69.8 Å²	69.8	52%	0.521	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	5.9	180	0	0	0	0	0	115.6
695	L	63.9	Low	71.1	Confident	90 Å²	90	71.9 Å²	71.9	47%	0.471	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-11.3	177.9	-65.1	176	0	0	0	113.7	C693 H713	C693-L695 PolarHBondContact O-N 2.95Å; L695-H713 HydrophobicContact CD1-CB 4.05Å
696	C	72.4	Confident	71.4	Confident	43 Å²	43	69.8 Å²	69.8	29%	0.291	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-161.8	21.7	178.2	72.5	0	0	0	0	114.3	C693 R698 H709	C693-C696 PolarHBondContact O-N 3.18Å; C696-R698 PolarHBondContact O-N 3.21Å; C696-H709 PolarHBondContact SG-CE1 3.27Å; C696-H709 PolarHBondContact SG-NE2 3.43Å
697	D	68.1	Low	71.5	Confident	134 Å²	134	67.3 Å²	67.3	72%	0.717	35%	0.352	S	S	*	.			trans	51.8	21.8	174.6	-49	-47.2	0	0	0	116.4	C693	C693-D697 WeakPolarHBondContact O-CA 3.46Å; C693-D697 PolarHBondContact O-N 3.46Å
698	R	72.7	Confident	71.9	Confident	151 Å²	151	66.8 Å²	66.8	57%	0.57	36%	0.356	S	S	*	.			trans	-80.8	126.3	176.6	-72.6	178.1	-173.4	170	3.7	109.3	C693 C696 F700	C693-R698 PolarHBondContact N-O 3.06Å; C696-R698 PolarHBondContact O-N 3.21Å; R698-F700 HydrophobicContact CB-CE2 3.49Å; R698-F700 VanDerWaalsContact CB-CE2 3.49Å; R698-F700 HydrophobicContact CB-CZ 3.65Å; R698-F700 VanDerWaalsContact O-CD2 3.25Å; R698-F700 WeakPolarHBondContact O-CD2 3.38Å; R698-F700 WeakPolarHBondContact O-CE2 3.35Å
699	S	74.4	Confident	72.3	Confident	44 Å²	44	63.6 Å²	63.6	31%	0.308	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	138.6	177.5	58.1	0	0	0	0	112.2	K689 F691	K689-S699 VanDerWaalsContact CD-OG 3.23Å; K689-S699 WeakPolarHBondContact CD-OG 3.09Å; F691-S699 CarbonylContact O-C 3.6Å; F691-S699 WeakPolarHBondContact O-CA 3.24Å
700	F	73.9	Confident	72.2	Confident	22 Å²	22	60.8 Å²	60.8	10%	0.096	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	144.2	-170.7	-61.8	-89.9	0	0	0	111.3	W684 K689 F691 C693 R698 R705 I706 H709	W684-F700 AromaticContact CH2-CD1 3.87Å; W684-F700 HydrophobicContact CH2-CD1 3.87Å; W684-F700 HydrophobicContact CH2-CE1 4.38Å; W684-F700 HydrophobicContact CZ3-CD1 4.33Å; K689-F700 CarbonylContact C-O 3.5Å; K689-F700 WeakPolarHBondContact CA-O 3.48Å; F691-F700 HydrophobicContact CB-CB 4.29Å; F691-F700 PolarHBondContact N-O 3.4Å; F691-F700 PolarHBondContact O-N 3.17Å; C693-F700 HydrophobicContact CB-CE2 4.19Å; R698-F700 HydrophobicContact CB-CE2 3.49Å; R698-F700 VanDerWaalsContact CB-CE2 3.49Å; R698-F700 HydrophobicContact CB-CZ 3.65Å; R698-F700 VanDerWaalsContact O-CD2 3.25Å; R698-F700 WeakPolarHBondContact O-CD2 3.38Å; R698-F700 WeakPolarHBondContact O-CE2 3.35Å; F700-R705 HydrophobicContact CB-CB 4.3Å; F700-R705 HydrophobicContact CD1-CB 4.01Å; F700-I706 HydrophobicContact CB-CB 4.13Å; F700-I706 HydrophobicContact CD2-CB 3.95Å; F700-I706 HydrophobicContact CD2-CD1 4.34Å; F700-I706 HydrophobicContact CD2-CG1 4.11Å; F700-I706 HydrophobicContact CG-CB 4.11Å; F700-H709 HydrophobicContact CE1-CB 3.71Å; F700-H709 AromaticContact CE1-CG 3.99Å; F700-H709 HydrophobicContact CE2-CB 4.04Å; F700-H709 AromaticContact CE2-CD2 3.15Å; F700-H709 WeakPolarHBondContact CE2-CD2 3.35Å; F700-H709 AromaticContact CE2-CG 3.72Å; F700-H709 AromaticContact CE2-NE2 3.89Å; F700-H709 HydrophobicContact CZ-CB 3.44Å; F700-H709 VanDerWaalsContact CZ-CB 3.44Å; F700-H709 AromaticContact CZ-CD2 3.16Å; F700-H709 WeakPolarHBondContact CZ-CD2 3.33Å; F700-H709 AromaticContact CZ-CG 3.22Å; F700-H709 AromaticContact CZ-NE2 3.88Å
701	P	72.2	Confident	71.9	Confident	17 Å²	17	63.8 Å²	63.8	11%	0.11	34%	0.335	C	S	.	.	S	Bend	trans	-83.1	-13.5	-177.6	32.9	-36.9	0	0	0	114.2	W684 Q687	W684-P701 HydrophobicContact CD2-CG 4.47Å; W684-P701 HydrophobicContact CE3-CG 4.25Å; W684-P701 HydrophobicContact CH2-CG 4.39Å; W684-P701 HydrophobicContact CZ3-CG 4.21Å; Q687-P701 HydrophobicContact CB-CB 4.04Å
702	T	73.2	Confident	71.6	Confident	59 Å²	59	65 Å²	65	36%	0.362	35%	0.348	S	S	.	.	S	Bend	trans	-145.3	147.7	-177.2	57.3	0	0	0	0	112.5	Q704 R705 I706	T702-Q704 VanDerWaalsContact C-N 3.29Å; T702-Q704 PolarHBondContact O-N 2.85Å; T702-R705 PolarHBondContact O-N 3.44Å; T702-I706 PolarHBondContact O-N 2.82Å
703	T	75.1	Confident	71.2	Confident	68 Å²	68	64.3 Å²	64.3	42%	0.417	34%	0.342	S	S	.	.	H	α-helix	trans	-53.7	-42.9	179.1	-36.9	0	0	0	0	112.6	F691 R705 I706 Q707	F691-T703 VanDerWaalsContact CZ-OG1 3.29Å; F691-T703 WeakPolarHBondContact CZ-OG1 3.21Å; T703-R705 PolarHBondContact O-N 3.36Å; T703-I706 WeakPolarHBondContact O-CG2 3.2Å; T703-I706 PolarHBondContact O-N 3.12Å; T703-Q707 WeakPolarHBondContact O-CB 3.48Å; T703-Q707 VanDerWaalsContact O-CG 3.3Å; T703-Q707 WeakPolarHBondContact O-CG 3.29Å; T703-Q707 PolarHBondContact O-N 3.02Å
704	Q	74.1	Confident	70.2	Confident	148 Å²	148	68.2 Å²	68.2	69%	0.692	36%	0.362	S	S	*	.	H	α-helix	trans	-61.1	-29	176.8	-70.4	178.4	-11.8	0	0	113.4	T702 T708	T702-Q704 VanDerWaalsContact C-N 3.29Å; T702-Q704 PolarHBondContact O-N 2.85Å; Q704-T708 PolarHBondContact O-N 2.93Å; Q704-T708 PolarHBondContact O-OG1 3.06Å
705	R	75.7	Confident	69.4	Low	110 Å²	110	72 Å²	72	42%	0.415	37%	0.374	S	S	.	.	H	α-helix	trans	-83.6	-34.1	179.9	-80.2	-170.3	166.5	155.1	5.4	113.3	W684 F700 T702 T703 T708 H709	W684-R705 VanDerWaalsContact CE2-NH1 3.31Å; W684-R705 VanDerWaalsContact NE1-NH1 3.11Å; F700-R705 HydrophobicContact CB-CB 4.3Å; F700-R705 HydrophobicContact CD1-CB 4.01Å; T702-R705 PolarHBondContact O-N 3.44Å; T703-R705 PolarHBondContact O-N 3.36Å; R705-T708 WeakPolarHBondContact CA-OG1 3.33Å; R705-T708 PolarHBondContact O-OG1 3.4Å; R705-H709 WeakPolarHBondContact O-CB 3.32Å; R705-H709 PolarHBondContact O-N 2.77Å; R705-H709 VanDerWaalsContact O-N 3.08Å
706	I	77.5	Confident	68.8	Low	0 Å²	0	76.3 Å²	76.3	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-69.2	-39.8	167.1	-172.1	161	0	0	0	110.5	F691 V692 C693 F700 T702 T703 T708 H709 M710 I723	F691-I706 HydrophobicContact CB-CB 4.04Å; F691-I706 HydrophobicContact CB-CD1 3.96Å; F691-I706 HydrophobicContact CB-CG2 3.79Å; F691-I706 HydrophobicContact CD1-CG2 4.35Å; F691-I706 HydrophobicContact CG-CG2 4.12Å; V692-I706 WeakPolarHBondContact O-CD1 3.33Å; C693-I706 HydrophobicContact CB-CD1 4.31Å; F700-I706 HydrophobicContact CB-CB 4.13Å; F700-I706 HydrophobicContact CD2-CB 3.95Å; F700-I706 HydrophobicContact CD2-CD1 4.34Å; F700-I706 HydrophobicContact CD2-CG1 4.11Å; F700-I706 HydrophobicContact CG-CB 4.11Å; T702-I706 PolarHBondContact O-N 2.82Å; T703-I706 WeakPolarHBondContact O-CG2 3.2Å; T703-I706 PolarHBondContact O-N 3.12Å; I706-T708 PolarHBondContact O-N 3.09Å; I706-H709 CarbonylContact O-C 3.04Å; I706-H709 WeakPolarHBondContact O-CA 3.46Å; I706-H709 WeakPolarHBondContact O-CB 3.27Å; I706-H709 PolarHBondContact O-N 3.28Å; I706-H709 VanDerWaalsContact O-N 3.13Å; I706-M710 HydrophobicContact CG1-CG 4.33Å; I706-M710 WeakPolarHBondContact O-CG 2.98Å; I706-M710 PolarHBondContact O-N 2.8Å; I706-I723 HydrophobicContact CD1-CG2 4.23Å
707	Q	71.9	Confident	67.8	Low	91 Å²	91	79 Å²	79	43%	0.425	40%	0.401	S	S	.	.	H	α-helix	trans	-58.9	-49.2	174.9	-75.8	170.9	-24.6	0	0	112.4	T703 H709 M710 I711	T703-Q707 WeakPolarHBondContact O-CB 3.48Å; T703-Q707 VanDerWaalsContact O-CG 3.3Å; T703-Q707 WeakPolarHBondContact O-CG 3.29Å; T703-Q707 PolarHBondContact O-N 3.02Å; Q707-H709 VanDerWaalsContact C-N 3.25Å; Q707-H709 PolarHBondContact O-N 2.89Å; Q707-M710 WeakPolarHBondContact O-CB 3.43Å; Q707-M710 PolarHBondContact O-N 3.49Å; Q707-M710 VanDerWaalsContact O-N 3.11Å; Q707-I711 PolarHBondContact O-N 3.1Å; Q707-I711 VanDerWaalsContact O-N 3.15Å
708	T	72.9	Confident	67	Low	92 Å²	92	79.9 Å²	79.9	56%	0.564	40%	0.4	S	S	*	.	H	α-helix	trans	-67.2	-24.3	176	43.2	0	0	0	0	113.6	Q704 R705 I706	Q704-T708 PolarHBondContact O-N 2.93Å; Q704-T708 PolarHBondContact O-OG1 3.06Å; R705-T708 WeakPolarHBondContact CA-OG1 3.33Å; R705-T708 PolarHBondContact O-OG1 3.4Å; I706-T708 PolarHBondContact O-N 3.09Å
709	H	75.2	Confident	66.1	Low	14 Å²	14	75.5 Å²	75.5	7%	0.065	39%	0.388	C	S	.	.	H	α-helix	trans	-76.3	-35.6	168	169.5	50.3	0	0	0	112.9	C693 C696 F700 R705 I706 Q707 I711 S712 H713	C693-H709 WeakPolarHBondContact CB-NE2 3.43Å; C693-H709 PolarHBondContact SG-NE2 2.87Å; C693-H709 VanDerWaalsContact SG-NE2 3.35Å; C696-H709 PolarHBondContact SG-CE1 3.27Å; C696-H709 PolarHBondContact SG-NE2 3.43Å; F700-H709 HydrophobicContact CE1-CB 3.71Å; F700-H709 AromaticContact CE1-CG 3.99Å; F700-H709 HydrophobicContact CE2-CB 4.04Å; F700-H709 AromaticContact CE2-CD2 3.15Å; F700-H709 WeakPolarHBondContact CE2-CD2 3.35Å; F700-H709 AromaticContact CE2-CG 3.72Å; F700-H709 AromaticContact CE2-NE2 3.89Å; F700-H709 HydrophobicContact CZ-CB 3.44Å; F700-H709 VanDerWaalsContact CZ-CB 3.44Å; F700-H709 AromaticContact CZ-CD2 3.16Å; F700-H709 WeakPolarHBondContact CZ-CD2 3.33Å; F700-H709 AromaticContact CZ-CG 3.22Å; F700-H709 AromaticContact CZ-NE2 3.88Å; R705-H709 WeakPolarHBondContact O-CB 3.32Å; R705-H709 PolarHBondContact O-N 2.77Å; R705-H709 VanDerWaalsContact O-N 3.08Å; I706-H709 CarbonylContact O-C 3.04Å; I706-H709 WeakPolarHBondContact O-CA 3.46Å; I706-H709 WeakPolarHBondContact O-CB 3.27Å; I706-H709 PolarHBondContact O-N 3.28Å; I706-H709 VanDerWaalsContact O-N 3.13Å; Q707-H709 VanDerWaalsContact C-N 3.25Å; Q707-H709 PolarHBondContact O-N 2.89Å; H709-I711 PolarHBondContact O-N 2.91Å; H709-S712 PolarHBondContact ND1-OG 3.03Å; H709-S712 VanDerWaalsContact ND1-OG 3.08Å; H709-S712 WeakPolarHBondContact O-CA 3.47Å; H709-S712 WeakPolarHBondContact O-CB 3.32Å; H709-S712 PolarHBondContact O-N 3.47Å; H709-S712 PolarHBondContact O-OG 2.91Å; H709-H713 AromaticContact CE1-CD2 3.92Å; H709-H713 AromaticContact CE1-CE1 3.96Å; H709-H713 AromaticContact CE1-NE2 3.24Å; H709-H713 PolarHBondContact CE1-NE2 3.06Å; H709-H713 AromaticContact NE2-CD2 3.92Å; H709-H713 AromaticContact NE2-NE2 3.18Å; H709-H713 PolarHBondContact NE2-NE2 3.38Å; H709-H713 VanDerWaalsContact NE2-NE2 3.18Å
710	M	63.7	Low	65.3	Low	10 Å²	10	73.9 Å²	73.9	5%	0.049	38%	0.376	C	S	.	.	H	α-helix	trans	-60.6	-31.3	173.1	-69.8	-58.1	-133.9	0	0	111.2	I706 Q707 S712 H713 I714 H721 L722 I723	I706-M710 HydrophobicContact CG1-CG 4.33Å; I706-M710 WeakPolarHBondContact O-CG 2.98Å; I706-M710 PolarHBondContact O-N 2.8Å; Q707-M710 WeakPolarHBondContact O-CB 3.43Å; Q707-M710 PolarHBondContact O-N 3.49Å; Q707-M710 VanDerWaalsContact O-N 3.11Å; M710-S712 PolarHBondContact O-N 2.93Å; M710-H713 WeakPolarHBondContact O-CA 3.08Å; M710-H713 WeakPolarHBondContact O-CB 3.49Å; M710-H713 PolarHBondContact O-N 3.22Å; M710-I714 WeakPolarHBondContact O-CG1 3.36Å; M710-I714 PolarHBondContact O-N 3.14Å; M710-H721 HydrophobicContact CE-CB 4Å; M710-L722 WeakPolarHBondContact CE-O 3.34Å; M710-I723 HydrophobicContact CE-CB 4.48Å; M710-I723 HydrophobicContact CE-CG1 3.63Å; M710-I723 HydrophobicContact CG-CG1 4.39Å
711	I	66.6	Low	64.5	Low	97 Å²	97	73.2 Å²	73.2	50%	0.497	37%	0.373	S	S	.	.	H	α-helix	trans	-58.6	-34.6	170.8	-60.1	171.8	0	0	0	112	Q707 H709 H713 I714 D715	Q707-I711 PolarHBondContact O-N 3.1Å; Q707-I711 VanDerWaalsContact O-N 3.15Å; H709-I711 PolarHBondContact O-N 2.91Å; I711-H713 PolarHBondContact O-N 3.01Å; I711-I714 PolarHBondContact O-N 3.5Å; I711-D715 PolarHBondContact O-N 2.78Å
712	S	65.2	Low	64	Low	67 Å²	67	73.5 Å²	73.5	47%	0.469	37%	0.374	S	S	.	.	H	α-helix	trans	-72.1	-6.6	173.4	65.6	0	0	0	0	114.8	H709 M710	H709-S712 PolarHBondContact ND1-OG 3.03Å; H709-S712 VanDerWaalsContact ND1-OG 3.08Å; H709-S712 WeakPolarHBondContact O-CA 3.47Å; H709-S712 WeakPolarHBondContact O-CB 3.32Å; H709-S712 PolarHBondContact O-N 3.47Å; H709-S712 PolarHBondContact O-OG 2.91Å; M710-S712 PolarHBondContact O-N 2.93Å
713	H	63.5	Low	63.3	Low	31 Å²	31	71.5 Å²	71.5	14%	0.144	36%	0.361	C	S	.	.	H	α-helix	trans	-95.8	-24.8	163.9	-62.5	-66.9	0	0	0	112	C693 L695 H709 M710 I711 D715 R716	C693-H713 PolarHBondContact SG-NE2 3.07Å; L695-H713 HydrophobicContact CD1-CB 4.05Å; H709-H713 AromaticContact CE1-CD2 3.92Å; H709-H713 AromaticContact CE1-CE1 3.96Å; H709-H713 AromaticContact CE1-NE2 3.24Å; H709-H713 PolarHBondContact CE1-NE2 3.06Å; H709-H713 AromaticContact NE2-CD2 3.92Å; H709-H713 AromaticContact NE2-NE2 3.18Å; H709-H713 PolarHBondContact NE2-NE2 3.38Å; H709-H713 VanDerWaalsContact NE2-NE2 3.18Å; M710-H713 WeakPolarHBondContact O-CA 3.08Å; M710-H713 WeakPolarHBondContact O-CB 3.49Å; M710-H713 PolarHBondContact O-N 3.22Å; I711-H713 PolarHBondContact O-N 3.01Å; H713-D715 VanDerWaalsContact C-N 3.33Å; H713-D715 PolarHBondContact O-N 3.06Å; H713-R716 WeakPolarHBondContact O-CB 3.44Å; H713-R716 PolarHBondContact O-N 2.92Å
714	I	55.8	Low	62.9	Low	81 Å²	81	69.4 Å²	69.4	42%	0.415	35%	0.348	S	S	.	.	H	α-helix	trans	-74	-19	179.8	-66.5	167.8	0	0	0	112.9	M710 I711 R716 H721	M710-I714 WeakPolarHBondContact O-CG1 3.36Å; M710-I714 PolarHBondContact O-N 3.14Å; I711-I714 PolarHBondContact O-N 3.5Å; I714-R716 CarbonylContact O-C 3.54Å; I714-R716 VanDerWaalsContact O-C 3.24Å; I714-R716 PolarHBondContact O-N 3.48Å; I714-H721 WeakPolarHBondContact CG1-NE2 3.39Å
715	D	49	Very low	62.2	Low	144 Å²	144	63 Å²	63	77%	0.77	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-5.1	162.2	-77.5	-26.3	0	0	0	112.5	I711 H713 P717	I711-D715 PolarHBondContact O-N 2.78Å; H713-D715 VanDerWaalsContact C-N 3.33Å; H713-D715 PolarHBondContact O-N 3.06Å; D715-P717 WeakPolarHBondContact O-CD 3.08Å
716	R	52.1	Low	61.7	Low	180 Å²	180	60.8 Å²	60.8	68%	0.679	31%	0.314	S	S	*	.	S	Bend	trans	-102.6	91.9	154.1	-65	177.2	170.3	171.3	-4.4	109.4	H713 I714 E718 I719	H713-R716 WeakPolarHBondContact O-CB 3.44Å; H713-R716 PolarHBondContact O-N 2.92Å; I714-R716 CarbonylContact O-C 3.54Å; I714-R716 VanDerWaalsContact O-C 3.24Å; I714-R716 PolarHBondContact O-N 3.48Å; R716-E718 PolarHBondContact O-N 3.36Å; R716-I719 HydrophobicContact CB-CD1 4.39Å
717	P	50.4	Low	60.9	Low	100 Å²	100	63.4 Å²	63.4	65%	0.649	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	7	-168.9	26.7	-36.2	0	0	0	116.2	D715	D715-P717 WeakPolarHBondContact O-CD 3.08Å
718	E	51.4	Low	59.6	Low	152 Å²	152	62.7 Å²	62.7	71%	0.71	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-8.1	-173.1	-57.8	-169.7	161.4	0	0	114.5	R716	R716-E718 PolarHBondContact O-N 3.36Å
719	I	54.4	Low	58.5	Low	59 Å²	59	63.8 Å²	63.8	30%	0.303	34%	0.343	S	S	.	.			trans	-115.4	120.6	-165.1	-51.7	178.3	0	0	0	111.3	R716 H721	R716-I719 HydrophobicContact CB-CD1 4.39Å; I719-H721 PolarHBondContact O-CE1 3.13Å; I719-H721 PolarHBondContact O-ND1 3.46Å; I719-H721 PolarHBondContact O-NE2 3.27Å
720	S	56.9	Low	58.1	Low	10 Å²	10	66.7 Å²	66.7	7%	0.07	36%	0.362	C	S	.	.			trans	-78.2	138.3	166.4	54.7	0	0	0	0	110.9	Y738 V739	S720-Y738 WeakPolarHBondContact CB-OH 3.5Å; S720-Y738 PolarHBondContact OG-OH 2.86Å; S720-V739 WeakPolarHBondContact CA-O 3.29Å
721	H	57	Low	57.8	Low	8 Å²	8	71.1 Å²	71.1	4%	0.037	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	150.3	-167.9	-54.4	-46.3	0	0	0	113.5	M710 I714 I719 V739	M710-H721 HydrophobicContact CE-CB 4Å; I714-H721 WeakPolarHBondContact CG1-NE2 3.39Å; I719-H721 PolarHBondContact O-CE1 3.13Å; I719-H721 PolarHBondContact O-ND1 3.46Å; I719-H721 PolarHBondContact O-NE2 3.27Å; H721-V739 PolarHBondContact N-O 3.44Å; H721-V739 PolarHBondContact O-N 3.44Å
722	L	61.5	Low	57.4	Low	23 Å²	23	72.2 Å²	72.2	12%	0.12	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	128.9	170.1	-130.3	89.4	0	0	0	109.5	M710 V724 V736 Y738 L748 M753 I760	M710-L722 WeakPolarHBondContact CE-O 3.34Å; L722-V724 HydrophobicContact CD2-CG2 4.24Å; L722-V736 HydrophobicContact CD2-CG1 3.55Å; L722-V736 HydrophobicContact CG-CG1 3.83Å; L722-Y738 HydrophobicContact CD1-CD2 4.03Å; L722-L748 HydrophobicContact CD1-CD1 3.96Å; L722-M753 HydrophobicContact CD2-CG 4.33Å; L722-I760 HydrophobicContact CD1-CD1 3.61Å
723	I	58.8	Low	57.3	Low	17 Å²	17	72.3 Å²	72.3	9%	0.087	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	126	169.1	-57.8	169.7	0	0	0	107.2	I706 M710 V736 T737 V739	I706-I723 HydrophobicContact CD1-CG2 4.23Å; M710-I723 HydrophobicContact CE-CB 4.48Å; M710-I723 HydrophobicContact CE-CG1 3.63Å; M710-I723 HydrophobicContact CG-CG1 4.39Å; I723-V736 CarbonylContact O-C 3.55Å; I723-V736 VanDerWaalsContact O-CA 3.32Å; I723-V736 WeakPolarHBondContact O-CA 3.42Å; I723-T737 PolarHBondContact N-O 3.24Å; I723-T737 PolarHBondContact O-N 3.3Å; I723-V739 HydrophobicContact CD1-CG2 4.12Å
724	V	67.5	Low	57.4	Low	24 Å²	24	75.9 Å²	75.9	15%	0.145	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	119.8	175.4	-174.9	0	0	0	0	108.6	L722 K726 V733	L722-V724 HydrophobicContact CD2-CG2 4.24Å; V724-K726 HydrophobicContact CG1-CG 4.15Å; V724-V733 HydrophobicContact CG1-CB 4.41Å; V724-V733 HydrophobicContact CG1-CG1 3.77Å; V724-V733 HydrophobicContact CG1-CG2 3.85Å
725	A	59	Low	57.9	Low	14 Å²	14	76.2 Å²	76.2	12%	0.116	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	126.1	168.6	0	0	0	0	0	108.6	F691 V733 V734 K735	F691-A725 HydrophobicContact CD1-CB 3.93Å; F691-A725 HydrophobicContact CE1-CB 3.93Å; A725-V733 CarbonylContact O-C 3.08Å; A725-V734 PolarHBondContact O-N 3.12Å; A725-K735 HydrophobicContact CB-CB 4.13Å; A725-K735 PolarHBondContact N-O 2.87Å; A725-K735 PolarHBondContact O-N 2.81Å
726	K	64.8	Low	58.7	Low	62 Å²	62	69.8 Å²	69.8	27%	0.27	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	149	176.7	-70.7	-166.4	171.6	-168.7	0	111.4	P690 V724 S728 D731 E732 V733	P690-K726 WeakPolarHBondContact CA-O 2.93Å; P690-K726 WeakPolarHBondContact CB-O 3.12Å; P690-K726 PolarHBondContact O-N 2.88Å; V724-K726 HydrophobicContact CG1-CG 4.15Å; K726-S728 PolarHBondContact O-N 3.36Å; K726-D731 WeakPolarHBondContact CD-O 3.27Å; K726-D731 WeakPolarHBondContact CD-OD1 3.24Å; K726-D731 IonicContact NZ-OD1 2.65Å; K726-D731 PolarHBondContact NZ-OD1 3.35Å; K726-D731 IonicContact NZ-OD2 2.69Å; K726-D731 PolarHBondContact NZ-OD2 2.86Å; K726-E732 CarbonylContact C-O 3.49Å; K726-E732 VanDerWaalsContact CA-O 3.24Å; K726-E732 WeakPolarHBondContact CA-O 3.21Å; K726-V733 HydrophobicContact CG-CG2 4.25Å
727	N	61.3	Low	59.5	Low	56 Å²	56	62.1 Å²	62.1	30%	0.299	35%	0.348	S	S	.	.			trans	-71.7	122.4	167.7	-179	-11.8	0	0	0	108.9	C729 T730 D731 E732 V734	N727-C729 PolarHBondContact O-N 3.33Å; N727-C729 VanDerWaalsContact O-N 3.11Å; N727-C729 PolarHBondContact OD1-N 3.3Å; N727-T730 VanDerWaalsContact CB-OG1 3.26Å; N727-T730 WeakPolarHBondContact CB-OG1 3.23Å; N727-T730 PolarHBondContact ND2-OG1 3.1Å; N727-D731 VanDerWaalsContact O-CA 3.29Å; N727-D731 WeakPolarHBondContact O-CA 3.5Å; N727-D731 PolarHBondContact O-N 2.95Å; N727-E732 HydrophobicContact CB-CB 4.47Å; N727-E732 PolarHBondContact N-O 3.23Å; N727-V734 HydrophobicContact CB-CG2 3.88Å
728	S	45.2	Very low	60.4	Low	75 Å²	75	58 Å²	58	52%	0.524	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-8.5	-176.6	52.9	0	0	0	0	115	K726	K726-S728 PolarHBondContact O-N 3.36Å
729	C	50	Low	61	Low	116 Å²	116	52.5 Å²	52.5	78%	0.784	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-29	-179.6	-64.2	0	0	0	0	113.7	N727	N727-C729 PolarHBondContact O-N 3.33Å; N727-C729 VanDerWaalsContact O-N 3.11Å; N727-C729 PolarHBondContact OD1-N 3.3Å
730	T	66.1	Low	61.5	Low	74 Å²	74	52 Å²	52	45%	0.454	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-7.6	-177.4	58.7	0	0	0	0	113.5	N727 E732	N727-T730 VanDerWaalsContact CB-OG1 3.26Å; N727-T730 WeakPolarHBondContact CB-OG1 3.23Å; N727-T730 PolarHBondContact ND2-OG1 3.1Å; T730-E732 VanDerWaalsContact CB-OE2 3.23Å; T730-E732 WeakPolarHBondContact CB-OE2 3.44Å; T730-E732 PolarHBondContact O-N 2.83Å; T730-E732 WeakPolarHBondContact OG1-CB 3.46Å; T730-E732 VanDerWaalsContact OG1-CG 3.32Å; T730-E732 WeakPolarHBondContact OG1-CG 3.5Å; T730-E732 PolarHBondContact OG1-OE2 3.17Å
731	D	56.7	Low	61.6	Low	103 Å²	103	56.3 Å²	56.3	55%	0.551	32%	0.318	S	S	*	.			trans	57.6	6.9	-170.7	-154.4	54.3	0	0	0	115	K726 N727	K726-D731 WeakPolarHBondContact CD-O 3.27Å; K726-D731 WeakPolarHBondContact CD-OD1 3.24Å; K726-D731 IonicContact NZ-OD1 2.65Å; K726-D731 PolarHBondContact NZ-OD1 3.35Å; K726-D731 IonicContact NZ-OD2 2.69Å; K726-D731 PolarHBondContact NZ-OD2 2.86Å; N727-D731 VanDerWaalsContact O-CA 3.29Å; N727-D731 WeakPolarHBondContact O-CA 3.5Å; N727-D731 PolarHBondContact O-N 2.95Å
732	E	59.5	Low	61.7	Low	120 Å²	120	59.9 Å²	59.9	56%	0.561	36%	0.357	S	S	*	.			trans	-62.5	137.5	176.6	-68.1	164.6	146.1	0	0	111.4	K726 N727 T730 V734	K726-E732 CarbonylContact C-O 3.49Å; K726-E732 VanDerWaalsContact CA-O 3.24Å; K726-E732 WeakPolarHBondContact CA-O 3.21Å; N727-E732 HydrophobicContact CB-CB 4.47Å; N727-E732 PolarHBondContact N-O 3.23Å; T730-E732 VanDerWaalsContact CB-OE2 3.23Å; T730-E732 WeakPolarHBondContact CB-OE2 3.44Å; T730-E732 PolarHBondContact O-N 2.83Å; T730-E732 WeakPolarHBondContact OG1-CB 3.46Å; T730-E732 VanDerWaalsContact OG1-CG 3.32Å; T730-E732 WeakPolarHBondContact OG1-CG 3.5Å; T730-E732 PolarHBondContact OG1-OE2 3.17Å; E732-V734 PolarHBondContact O-N 2.86Å
733	V	62.4	Low	62	Low	70 Å²	70	64.7 Å²	64.7	42%	0.424	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	106.7	175.4	176.4	0	0	0	0	109.5	V724 A725 K726 V736	V724-V733 HydrophobicContact CG1-CB 4.41Å; V724-V733 HydrophobicContact CG1-CG1 3.77Å; V724-V733 HydrophobicContact CG1-CG2 3.85Å; A725-V733 CarbonylContact O-C 3.08Å; K726-V733 HydrophobicContact CG-CG2 4.25Å; V733-V736 HydrophobicContact CG1-CG2 3.46Å; V733-V736 VanDerWaalsContact CG1-CG2 3.46Å
734	V	64.9	Low	61.9	Low	105 Å²	105	72 Å²	72	64%	0.636	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	-34.9	-179.7	179.2	0	0	0	0	111.4	A725 N727 E732	A725-V734 PolarHBondContact O-N 3.12Å; N727-V734 HydrophobicContact CB-CG2 3.88Å; E732-V734 PolarHBondContact O-N 2.86Å
735	K	67.1	Low	61.8	Low	88 Å²	88	74.6 Å²	74.6	38%	0.383	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	138.7	-174.7	-174.5	160.8	174.1	144.3	0	111.9	A725 E747	A725-K735 HydrophobicContact CB-CB 4.13Å; A725-K735 PolarHBondContact N-O 2.87Å; A725-K735 PolarHBondContact O-N 2.81Å; K735-E747 VanDerWaalsContact CE-OE1 3.23Å; K735-E747 WeakPolarHBondContact CE-OE1 3.43Å; K735-E747 WeakPolarHBondContact CE-OE2 3.23Å; K735-E747 IonicContact NZ-OE1 3.56Å; K735-E747 PolarHBondContact NZ-OE1 3.12Å; K735-E747 IonicContact NZ-OE2 3.86Å; K735-E747 PolarHBondContact NZ-OE2 2.9Å
736	V	66.7	Low	62.3	Low	9 Å²	9	77.9 Å²	77.9	6%	0.055	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	138.5	172.9	-174.9	0	0	0	0	109.4	L722 I723 V733 L748 M753	L722-V736 HydrophobicContact CD2-CG1 3.55Å; L722-V736 HydrophobicContact CG-CG1 3.83Å; I723-V736 CarbonylContact O-C 3.55Å; I723-V736 VanDerWaalsContact O-CA 3.32Å; I723-V736 WeakPolarHBondContact O-CA 3.42Å; V733-V736 HydrophobicContact CG1-CG2 3.46Å; V733-V736 VanDerWaalsContact CG1-CG2 3.46Å; V736-L748 HydrophobicContact CB-CB 4.13Å; V736-L748 HydrophobicContact CG1-CB 4.09Å; V736-L748 HydrophobicContact CG1-CD1 3.93Å; V736-L748 HydrophobicContact CG1-CG 4.31Å; V736-L748 PolarHBondContact O-N 3.32Å; V736-M753 HydrophobicContact CG2-SD 3.97Å
737	T	69.2	Low	62.3	Low	20 Å²	20	80.8 Å²	80.8	12%	0.123	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	120.9	178.1	-42.6	0	0	0	0	110.5	I723 P745 I746	I723-T737 PolarHBondContact N-O 3.24Å; I723-T737 PolarHBondContact O-N 3.3Å; T737-P745 HydrophobicContact CG2-CB 3.55Å; T737-I746 CarbonylContact C-O 3.58Å; T737-I746 VanDerWaalsContact CA-O 3.31Å; T737-I746 WeakPolarHBondContact CA-O 3.36Å; T737-I746 WeakPolarHBondContact CG2-O 3.35Å
738	Y	68.4	Low	62.4	Low	14 Å²	14	78.9 Å²	78.9	6%	0.055	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	135.6	175.3	178.6	-123.4	0	0	0	110.6	S720 L722 E740 P745 I746 L756 I760	S720-Y738 WeakPolarHBondContact CB-OH 3.5Å; S720-Y738 PolarHBondContact OG-OH 2.86Å; L722-Y738 HydrophobicContact CD1-CD2 4.03Å; Y738-E740 HydrophobicContact CD1-CB 4.5Å; Y738-E740 HydrophobicContact CE1-CB 3.71Å; Y738-E740 HydrophobicContact CE1-CG 4.37Å; Y738-E740 PolarHBondContact OH-OE1 2.97Å; Y738-E740 VanDerWaalsContact OH-OE1 3.11Å; Y738-P745 CarbonylContact O-C 3.52Å; Y738-P745 WeakPolarHBondContact O-CA 3.42Å; Y738-I746 PolarHBondContact N-O 3.25Å; Y738-I746 PolarHBondContact O-N 3.41Å; Y738-L756 HydrophobicContact CE1-CD2 4.34Å; Y738-I760 HydrophobicContact CD2-CD1 4.21Å; Y738-I760 HydrophobicContact CE2-CD1 3.93Å; Y738-I760 HydrophobicContact CE2-CG1 4.24Å
739	V	64.6	Low	63.3	Low	36 Å²	36	81.5 Å²	81.5	22%	0.218	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	108.3	174.1	-173.4	0	0	0	0	108.3	S720 H721 I723 P745	S720-V739 WeakPolarHBondContact CA-O 3.29Å; H721-V739 PolarHBondContact N-O 3.44Å; H721-V739 PolarHBondContact O-N 3.44Å; I723-V739 HydrophobicContact CD1-CG2 4.12Å; V739-P745 HydrophobicContact CG2-CB 4.02Å; V739-P745 HydrophobicContact CG2-CG 4.19Å
740	E	63.8	Low	63.7	Low	48 Å²	48	79 Å²	79	22%	0.224	44%	0.444	C	S	.	.			trans	-91.8	145	171.1	-165.1	161.4	-128.9	0	0	109.9	Y738 G742 K743 K763	Y738-E740 HydrophobicContact CD1-CB 4.5Å; Y738-E740 HydrophobicContact CE1-CB 3.71Å; Y738-E740 HydrophobicContact CE1-CG 4.37Å; Y738-E740 PolarHBondContact OH-OE1 2.97Å; Y738-E740 VanDerWaalsContact OH-OE1 3.11Å; E740-G742 PolarHBondContact O-N 3.47Å; E740-G742 VanDerWaalsContact O-N 3.13Å; E740-K743 HydrophobicContact CB-CB 4.4Å; E740-K743 HydrophobicContact CB-CD 4.27Å; E740-K743 PolarHBondContact O-N 3.46Å; E740-K743 WeakPolarHBondContact OE2-CD 3.46Å; E740-K743 WeakPolarHBondContact OE2-CE 3.4Å; E740-K743 IonicContact OE2-NZ 2.65Å; E740-K743 PolarHBondContact OE2-NZ 3.49Å; E740-K763 IonicContact OE1-NZ 3.25Å; E740-K763 PolarHBondContact OE1-NZ 3Å
741	V	59.8	Low	63.6	Low	100 Å²	100	81.8 Å²	81.8	61%	0.606	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	120	-179	-178.3	0	0	0	0	109.7
742	G	59.4	Low	63.7	Low	84 Å²	84	80 Å²	80	87%	0.866	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	9.1	179.9	0	0	0	0	0	116.4	E740	E740-G742 PolarHBondContact O-N 3.47Å; E740-G742 VanDerWaalsContact O-N 3.13Å
743	K	66.4	Low	63.6	Low	123 Å²	123	77.6 Å²	77.6	54%	0.535	43%	0.43	S	S	.	.	S	Bend	trans	-120.1	158.6	175.7	-64.7	-175.3	-174.3	165.9	0	112.5	E740	E740-K743 HydrophobicContact CB-CB 4.4Å; E740-K743 HydrophobicContact CB-CD 4.27Å; E740-K743 PolarHBondContact O-N 3.46Å; E740-K743 WeakPolarHBondContact OE2-CD 3.46Å; E740-K743 WeakPolarHBondContact OE2-CE 3.4Å; E740-K743 IonicContact OE2-NZ 2.65Å; E740-K743 PolarHBondContact OE2-NZ 3.49Å
744	E	58.4	Low	63.6	Low	170 Å²	170	76.2 Å²	76.2	79%	0.794	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-65.5	149.8	170.5	-63.8	-164.9	146.2	0	0	111.2	I746	E744-I746 PolarHBondContact O-N 3.18Å
745	P	64.5	Low	63.7	Low	79 Å²	79	76.1 Å²	76.1	51%	0.513	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-61.2	126.7	177.3	-22.5	34.1	0	0	0	112.1	T737 Y738 V739	T737-P745 HydrophobicContact CG2-CB 3.55Å; Y738-P745 CarbonylContact O-C 3.52Å; Y738-P745 WeakPolarHBondContact O-CA 3.42Å; V739-P745 HydrophobicContact CG2-CB 4.02Å; V739-P745 HydrophobicContact CG2-CG 4.19Å
746	I	69.8	Low	63.4	Low	83 Å²	83	73.2 Å²	73.2	43%	0.426	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	125.7	178.8	-56	175.9	0	0	0	108.7	T737 Y738 E744 L748	T737-I746 CarbonylContact C-O 3.58Å; T737-I746 VanDerWaalsContact CA-O 3.31Å; T737-I746 WeakPolarHBondContact CA-O 3.36Å; T737-I746 WeakPolarHBondContact CG2-O 3.35Å; Y738-I746 PolarHBondContact N-O 3.25Å; Y738-I746 PolarHBondContact O-N 3.41Å; E744-I746 PolarHBondContact O-N 3.18Å; I746-L748 HydrophobicContact CG2-CD2 4.27Å
747	E	65.4	Low	63	Low	123 Å²	123	75.5 Å²	75.5	58%	0.575	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	126.7	171.4	-58.2	-168.9	-173.9	0	0	109.5	K735	K735-E747 VanDerWaalsContact CE-OE1 3.23Å; K735-E747 WeakPolarHBondContact CE-OE1 3.43Å; K735-E747 WeakPolarHBondContact CE-OE2 3.23Å; K735-E747 IonicContact NZ-OE1 3.56Å; K735-E747 PolarHBondContact NZ-OE1 3.12Å; K735-E747 IonicContact NZ-OE2 3.86Å; K735-E747 PolarHBondContact NZ-OE2 2.9Å
748	L	63.3	Low	62.9	Low	17 Å²	17	83.2 Å²	83.2	9%	0.089	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	126.4	-178	-60.6	-172.9	0	0	0	110.8	L722 V736 I746 Q752 L756	L722-L748 HydrophobicContact CD1-CD1 3.96Å; V736-L748 HydrophobicContact CB-CB 4.13Å; V736-L748 HydrophobicContact CG1-CB 4.09Å; V736-L748 HydrophobicContact CG1-CD1 3.93Å; V736-L748 HydrophobicContact CG1-CG 4.31Å; V736-L748 PolarHBondContact O-N 3.32Å; I746-L748 HydrophobicContact CG2-CD2 4.27Å; L748-Q752 HydrophobicContact CD2-CB 4.35Å; L748-L756 HydrophobicContact CD1-CB 4.39Å; L748-L756 HydrophobicContact CD1-CD1 3.47Å; L748-L756 VanDerWaalsContact CD1-CD1 3.47Å; L748-L756 HydrophobicContact CD2-CD1 3.35Å; L748-L756 HydrophobicContact CG-CD1 4.05Å
749	E	63.4	Low	62.9	Low	130 Å²	130	87.1 Å²	87.1	61%	0.607	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-71.1	151.1	161.8	-67.3	-179.3	-163.4	0	0	110.5	H751 Q752	E749-H751 PolarHBondContact O-N 2.94Å; E749-H751 IonicContact OE2-CE1 3.12Å; E749-H751 PolarHBondContact OE2-CE1 3.46Å; E749-H751 IonicContact OE2-ND1 3.39Å; E749-H751 PolarHBondContact OE2-ND1 3.46Å; E749-Q752 PolarHBondContact O-N 3.01Å
750	G	59	Low	62.7	Low	62 Å²	62	87 Å²	87	64%	0.639	47%	0.467	S	S	*	.	H	α-helix	trans	-54.5	-31.5	-170.7	0	0	0	0	0	114.9	Q752 M753	G750-Q752 VanDerWaalsContact C-N 3.29Å; G750-Q752 PolarHBondContact O-N 3.19Å; G750-M753 PolarHBondContact O-N 3.4Å
751	H	62.3	Low	62.8	Low	133 Å²	133	89.8 Å²	89.8	62%	0.616	48%	0.482	S	S	*	.	H	α-helix	trans	-64.8	-28.9	177.6	72.7	-97.1	0	0	0	113.5	E749	E749-H751 PolarHBondContact O-N 2.94Å; E749-H751 IonicContact OE2-CE1 3.12Å; E749-H751 PolarHBondContact OE2-CE1 3.46Å; E749-H751 IonicContact OE2-ND1 3.39Å; E749-H751 PolarHBondContact OE2-ND1 3.46Å
752	Q	60.1	Low	63.3	Low	66 Å²	66	88.4 Å²	88.4	31%	0.308	48%	0.477	S	S	.	.	H	α-helix	trans	-83	-22.9	-176.7	-55	-175.2	-4.9	0	0	112.5	L748 E749 G750 G754 E755 L756	L748-Q752 HydrophobicContact CD2-CB 4.35Å; E749-Q752 PolarHBondContact O-N 3.01Å; G750-Q752 VanDerWaalsContact C-N 3.29Å; G750-Q752 PolarHBondContact O-N 3.19Å; Q752-G754 PolarHBondContact O-N 2.93Å; Q752-E755 PolarHBondContact O-N 3.08Å; Q752-L756 HydrophobicContact CB-CD1 4.29Å; Q752-L756 PolarHBondContact O-N 2.86Å
753	M	58	Low	63.7	Low	70 Å²	70	89.2 Å²	89.2	35%	0.345	46%	0.457	S	S	.	.	H	α-helix	trans	-59.5	-45.3	-176.3	-174.5	171.1	63	0	0	112	L722 V736 G750 E755 L756 T757	L722-M753 HydrophobicContact CD2-CG 4.33Å; V736-M753 HydrophobicContact CG2-SD 3.97Å; G750-M753 PolarHBondContact O-N 3.4Å; M753-E755 VanDerWaalsContact C-N 3.31Å; M753-E755 PolarHBondContact O-N 3.37Å; M753-L756 PolarHBondContact O-N 2.9Å; M753-T757 WeakPolarHBondContact O-CB 3.29Å; M753-T757 PolarHBondContact O-N 2.89Å; M753-T757 PolarHBondContact O-OG1 3.1Å
754	G	60.5	Low	63	Low	40 Å²	40	85.7 Å²	85.7	41%	0.412	45%	0.45	S	S	.	.	H	α-helix	trans	-68.1	-25.1	-179	0	0	0	0	0	114.7	Q752 R758	Q752-G754 PolarHBondContact O-N 2.93Å; G754-R758 WeakPolarHBondContact O-CG 3.27Å; G754-R758 PolarHBondContact O-NE 3.34Å
755	E	67.2	Low	63.2	Low	103 Å²	103	83 Å²	83	48%	0.481	44%	0.438	S	S	.	.	H	α-helix	trans	-83.9	-41.5	174.8	-157.9	-167.7	148.4	0	0	111.5	Q752 M753 R758 K759	Q752-E755 PolarHBondContact O-N 3.08Å; M753-E755 VanDerWaalsContact C-N 3.31Å; M753-E755 PolarHBondContact O-N 3.37Å; E755-R758 PolarHBondContact O-N 3.32Å; E755-K759 WeakPolarHBondContact O-CG 3.08Å; E755-K759 PolarHBondContact O-N 3.45Å; E755-K759 WeakPolarHBondContact OE1-CE 3.25Å; E755-K759 IonicContact OE1-NZ 2.6Å; E755-K759 PolarHBondContact OE1-NZ 2.92Å
756	L	61	Low	63.3	Low	28 Å²	28	81.6 Å²	81.6	15%	0.147	43%	0.432	C	S	.	.	H	α-helix	trans	-71.7	-38.1	-179.7	-74.6	165.5	0	0	0	112.6	Y738 L748 Q752 M753 R758 K759 I760	Y738-L756 HydrophobicContact CE1-CD2 4.34Å; L748-L756 HydrophobicContact CD1-CB 4.39Å; L748-L756 HydrophobicContact CD1-CD1 3.47Å; L748-L756 VanDerWaalsContact CD1-CD1 3.47Å; L748-L756 HydrophobicContact CD2-CD1 3.35Å; L748-L756 HydrophobicContact CG-CD1 4.05Å; Q752-L756 HydrophobicContact CB-CD1 4.29Å; Q752-L756 PolarHBondContact O-N 2.86Å; M753-L756 PolarHBondContact O-N 2.9Å; L756-R758 VanDerWaalsContact C-N 3.33Å; L756-R758 PolarHBondContact O-N 3.38Å; L756-K759 HydrophobicContact CD2-CD 4.37Å; L756-K759 PolarHBondContact O-N 2.91Å; L756-K759 VanDerWaalsContact O-N 3.14Å; L756-I760 VanDerWaalsContact O-CG1 3.3Å; L756-I760 WeakPolarHBondContact O-CG1 3.39Å; L756-I760 PolarHBondContact O-N 3.2Å
757	T	59.4	Low	62.5	Low	56 Å²	56	79 Å²	79	34%	0.344	42%	0.424	S	S	.	.	H	α-helix	trans	-59.4	-43.5	171.9	-63.5	0	0	0	0	111.2	M753 K759 I760 I761	M753-T757 WeakPolarHBondContact O-CB 3.29Å; M753-T757 PolarHBondContact O-N 2.89Å; M753-T757 PolarHBondContact O-OG1 3.1Å; T757-K759 PolarHBondContact O-N 2.84Å; T757-I760 PolarHBondContact O-N 2.86Å; T757-I761 HydrophobicContact CG2-CD1 3.78Å; T757-I761 HydrophobicContact CG2-CG1 4.46Å; T757-I761 VanDerWaalsContact O-CG1 3.3Å; T757-I761 WeakPolarHBondContact O-CG1 3.29Å; T757-I761 PolarHBondContact O-N 3.03Å
758	R	65.8	Low	61.9	Low	182 Å²	182	75.6 Å²	75.6	69%	0.687	42%	0.416	S	S	*	.	H	α-helix	trans	-61.4	-40.2	173.5	-78	-176.2	-74.5	177.4	-2.1	112.6	G754 E755 L756 S762	G754-R758 WeakPolarHBondContact O-CG 3.27Å; G754-R758 PolarHBondContact O-NE 3.34Å; E755-R758 PolarHBondContact O-N 3.32Å; L756-R758 VanDerWaalsContact C-N 3.33Å; L756-R758 PolarHBondContact O-N 3.38Å; R758-S762 WeakPolarHBondContact O-CB 3.19Å; R758-S762 PolarHBondContact O-N 2.88Å; R758-S762 PolarHBondContact O-OG 3.17Å
759	K	68	Low	62	Low	97 Å²	97	79.5 Å²	79.5	42%	0.422	43%	0.434	S	S	.	.	H	α-helix	trans	-67	-37.6	175.1	-73.2	173.3	-175.6	168.7	0	113.1	E755 L756 T757 S762 K763	E755-K759 WeakPolarHBondContact O-CG 3.08Å; E755-K759 PolarHBondContact O-N 3.45Å; E755-K759 WeakPolarHBondContact OE1-CE 3.25Å; E755-K759 IonicContact OE1-NZ 2.6Å; E755-K759 PolarHBondContact OE1-NZ 2.92Å; L756-K759 HydrophobicContact CD2-CD 4.37Å; L756-K759 PolarHBondContact O-N 2.91Å; L756-K759 VanDerWaalsContact O-N 3.14Å; T757-K759 PolarHBondContact O-N 2.84Å; K759-S762 PolarHBondContact O-OG 3.49Å; K759-S762 VanDerWaalsContact O-OG 3.06Å; K759-K763 WeakPolarHBondContact O-CB 3.32Å; K759-K763 WeakPolarHBondContact O-CG 3.43Å; K759-K763 PolarHBondContact O-N 3.18Å; K759-K763 VanDerWaalsContact O-N 3.08Å
760	I	62.4	Low	61.9	Low	32 Å²	32	80.9 Å²	80.9	16%	0.164	44%	0.438	C	S	.	.	H	α-helix	trans	-69.3	-46.2	177.6	-66.8	164.8	0	0	0	110.2	L722 Y738 L756 T757 S762 K763 A764	L722-I760 HydrophobicContact CD1-CD1 3.61Å; Y738-I760 HydrophobicContact CD2-CD1 4.21Å; Y738-I760 HydrophobicContact CE2-CD1 3.93Å; Y738-I760 HydrophobicContact CE2-CG1 4.24Å; L756-I760 VanDerWaalsContact O-CG1 3.3Å; L756-I760 WeakPolarHBondContact O-CG1 3.39Å; L756-I760 PolarHBondContact O-N 3.2Å; T757-I760 PolarHBondContact O-N 2.86Å; I760-S762 PolarHBondContact O-N 3.22Å; I760-K763 PolarHBondContact O-N 2.89Å; I760-A764 WeakPolarHBondContact O-CB 3.47Å; I760-A764 PolarHBondContact O-N 3.11Å
761	I	65.6	Low	61.6	Low	107 Å²	107	82.7 Å²	82.7	55%	0.549	44%	0.436	S	S	.	.	H	α-helix	trans	-60.9	-43.8	177.1	-67	168.3	0	0	0	110.7	T757 A764 H765	T757-I761 HydrophobicContact CG2-CD1 3.78Å; T757-I761 HydrophobicContact CG2-CG1 4.46Å; T757-I761 VanDerWaalsContact O-CG1 3.3Å; T757-I761 WeakPolarHBondContact O-CG1 3.29Å; T757-I761 PolarHBondContact O-N 3.03Å; I761-A764 PolarHBondContact O-N 2.83Å; I761-H765 WeakPolarHBondContact O-CB 3.1Å; I761-H765 PolarHBondContact O-N 3.27Å
762	S	69.5	Low	61.2	Low	71 Å²	71	84 Å²	84	50%	0.497	44%	0.44	S	S	.	.	H	α-helix	trans	-65.8	-40.1	178.6	70.8	0	0	0	0	112.9	R758 K759 I760 A766	R758-S762 WeakPolarHBondContact O-CB 3.19Å; R758-S762 PolarHBondContact O-N 2.88Å; R758-S762 PolarHBondContact O-OG 3.17Å; K759-S762 PolarHBondContact O-OG 3.49Å; K759-S762 VanDerWaalsContact O-OG 3.06Å; I760-S762 PolarHBondContact O-N 3.22Å; S762-A766 VanDerWaalsContact O-CB 3.3Å; S762-A766 WeakPolarHBondContact O-CB 3.45Å; S762-A766 PolarHBondContact O-N 3.18Å
763	K	67.8	Low	60.8	Low	102 Å²	102	89.3 Å²	89.3	44%	0.443	46%	0.462	S	S	.	.	H	α-helix	trans	-62	-46.6	172.2	-76.5	-179.9	179.9	-179.3	0	111.7	E740 K759 I760 A766 A767	E740-K763 IonicContact OE1-NZ 3.25Å; E740-K763 PolarHBondContact OE1-NZ 3Å; K759-K763 WeakPolarHBondContact O-CB 3.32Å; K759-K763 WeakPolarHBondContact O-CG 3.43Å; K759-K763 PolarHBondContact O-N 3.18Å; K759-K763 VanDerWaalsContact O-N 3.08Å; I760-K763 PolarHBondContact O-N 2.89Å; K763-A766 PolarHBondContact O-N 3.33Å; K763-A767 PolarHBondContact O-N 3.22Å
764	A	51.3	Low	60.2	Low	48 Å²	48	95.5 Å²	95.5	40%	0.397	49%	0.487	S	S	.	.	H	α-helix	trans	-64.1	-41.9	179.5	0	0	0	0	0	112.4	I760 I761 A767 A768	I760-A764 WeakPolarHBondContact O-CB 3.47Å; I760-A764 PolarHBondContact O-N 3.11Å; I761-A764 PolarHBondContact O-N 2.83Å; A764-A767 PolarHBondContact O-N 3.46Å; A764-A768 WeakPolarHBondContact O-CB 3.47Å; A764-A768 PolarHBondContact O-N 3.42Å
765	H	63.5	Low	59.3	Low	114 Å²	114	97.4 Å²	97.4	53%	0.528	50%	0.5	S	S	.	.	H	α-helix	trans	-67	-39.3	176.5	-164.2	-109.6	0	0	0	111.8	I761 A768 Q769	I761-H765 WeakPolarHBondContact O-CB 3.1Å; I761-H765 PolarHBondContact O-N 3.27Å; H765-A768 PolarHBondContact O-N 3.19Å; H765-Q769 PolarHBondContact CE1-NE2 3.4Å; H765-Q769 WeakPolarHBondContact O-CB 3.39Å; H765-Q769 WeakPolarHBondContact O-CG 3.19Å; H765-Q769 PolarHBondContact O-N 2.66Å
766	A	65.7	Low	58	Low	49 Å²	49	97.6 Å²	97.6	41%	0.405	51%	0.507	S	S	.	.	H	α-helix	trans	-65	-38.7	174.2	0	0	0	0	0	112.8	S762 K763 K770	S762-A766 VanDerWaalsContact O-CB 3.3Å; S762-A766 WeakPolarHBondContact O-CB 3.45Å; S762-A766 PolarHBondContact O-N 3.18Å; K763-A766 PolarHBondContact O-N 3.33Å; A766-K770 WeakPolarHBondContact O-CG 3.32Å; A766-K770 PolarHBondContact O-N 3.21Å; A766-K770 VanDerWaalsContact O-N 3.07Å
767	A	53.6	Low	56.7	Low	30 Å²	30	105.2 Å²	105.2	25%	0.248	54%	0.542	C	S	.	.	H	α-helix	trans	-64.8	-48.5	173.1	0	0	0	0	0	111.3	K763 A764 Q769 K770 V771	K763-A767 PolarHBondContact O-N 3.22Å; A764-A767 PolarHBondContact O-N 3.46Å; A767-Q769 VanDerWaalsContact C-N 3.3Å; A767-Q769 PolarHBondContact O-N 3.07Å; A767-K770 WeakPolarHBondContact O-CB 3.44Å; A767-K770 PolarHBondContact O-N 3.49Å; A767-K770 VanDerWaalsContact O-N 3.07Å; A767-V771 PolarHBondContact O-N 2.8Å
768	A	52	Low	55.7	Low	50 Å²	50	107.8 Å²	107.8	41%	0.413	56%	0.56	S	S	.	*	H	α-helix	trans	-59.2	-38.2	176.9	0	0	0	0	0	112.9	A764 H765 K772	A764-A768 WeakPolarHBondContact O-CB 3.47Å; A764-A768 PolarHBondContact O-N 3.42Å; H765-A768 PolarHBondContact O-N 3.19Å; A768-K772 PolarHBondContact O-N 3.39Å; A768-K772 VanDerWaalsContact O-N 3.07Å
769	Q	65.1	Low	54.3	Low	99 Å²	99	107 Å²	107	46%	0.463	57%	0.57	S	S	.	*	H	α-helix	trans	-68.5	-36.2	174	-75.9	-171.2	-5.1	0	0	113.1	H765 A767 K772 K773	H765-Q769 PolarHBondContact CE1-NE2 3.4Å; H765-Q769 WeakPolarHBondContact O-CB 3.39Å; H765-Q769 WeakPolarHBondContact O-CG 3.19Å; H765-Q769 PolarHBondContact O-N 2.66Å; A767-Q769 VanDerWaalsContact C-N 3.3Å; A767-Q769 PolarHBondContact O-N 3.07Å; Q769-K772 PolarHBondContact O-N 3.26Å; Q769-K773 WeakPolarHBondContact O-CB 2.97Å; Q769-K773 WeakPolarHBondContact O-CG 3.43Å; Q769-K773 PolarHBondContact O-N 2.93Å
770	K	62	Low	52.7	Low	159 Å²	159	105.9 Å²	105.9	69%	0.691	59%	0.585	S	S	*	*	H	α-helix	trans	-64.7	-39.8	174.5	-78.4	178.2	177.9	-178.7	0	112.2	A766 A767 K774	A766-K770 WeakPolarHBondContact O-CG 3.32Å; A766-K770 PolarHBondContact O-N 3.21Å; A766-K770 VanDerWaalsContact O-N 3.07Å; A767-K770 WeakPolarHBondContact O-CB 3.44Å; A767-K770 PolarHBondContact O-N 3.49Å; A767-K770 VanDerWaalsContact O-N 3.07Å; K770-K774 PolarHBondContact O-N 3.31Å
771	V	51.8	Low	51.4	Low	100 Å²	100	108.8 Å²	108.8	61%	0.606	61%	0.614	S	S	*	*	H	α-helix	trans	-65.8	-47.2	175.6	177.6	0	0	0	0	110.7	A767 K773 K774	A767-V771 PolarHBondContact O-N 2.8Å; V771-K773 PolarHBondContact O-N 2.99Å; V771-K774 PolarHBondContact O-N 2.78Å
772	K	53.8	Low	49.9	Very low	160 Å²	160	109.6 Å²	109.6	70%	0.696	62%	0.624	S	S	*	*	H	α-helix	trans	-62.5	-36.6	178.2	-74.7	-175.1	176.1	-176	0	113.6	A768 Q769 K774 A775	A768-K772 PolarHBondContact O-N 3.39Å; A768-K772 VanDerWaalsContact O-N 3.07Å; Q769-K772 PolarHBondContact O-N 3.26Å; K772-K774 VanDerWaalsContact C-N 3.28Å; K772-K774 PolarHBondContact O-N 3.42Å; K772-A775 PolarHBondContact O-N 3.05Å
773	K	52.7	Low	48	Very low	178 Å²	178	111.7 Å²	111.7	77%	0.774	63%	0.634	S	S	*	*	H	α-helix	trans	-72.6	-12.7	178.5	-76.8	-172.9	176.4	-175.3	0	115	Q769 V771	Q769-K773 WeakPolarHBondContact O-CB 2.97Å; Q769-K773 WeakPolarHBondContact O-CG 3.43Å; Q769-K773 PolarHBondContact O-N 2.93Å; V771-K773 PolarHBondContact O-N 2.99Å
774	K	45.9	Very low	46.4	Very low	200 Å²	200	114.3 Å²	114.3	87%	0.87	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-8.2	172.4	-84.2	-169.6	170.9	-171.4	0	114.1	K770 V771 K772	K770-K774 PolarHBondContact O-N 3.31Å; V771-K774 PolarHBondContact O-N 2.78Å; K772-K774 VanDerWaalsContact C-N 3.28Å; K772-K774 PolarHBondContact O-N 3.42Å
775	A	42.1	Very low	45.5	Very low	81 Å²	81	120.4 Å²	120.4	67%	0.669	67%	0.673	S	S	*	*	S	Bend	trans	-107.2	6.2	-170.3	0	0	0	0	0	114.8	K772	K772-A775 PolarHBondContact O-N 3.05Å
776	V	38	Very low	44.1	Very low	106 Å²	106	124.3 Å²	124.3	64%	0.642	69%	0.692	S	S	*	*			trans	-139.6	95.3	-175.2	-176.3	0	0	0	0	110.8	P778	V776-P778 HydrophobicContact CG1-CG 4.22Å
777	Q	33.9	Very low	42.5	Very low	189 Å²	189	127.5 Å²	127.5	88%	0.883	71%	0.705	S	S	*	*			trans	-120.2	107	154.3	-79.4	-171	-8.5	0	0	107.9
778	P	39.2	Very low	41.6	Very low	109 Å²	109	134.2 Å²	134.2	71%	0.708	74%	0.735	S	S	*	*			trans	-103.5	110.4	166	31	-17.6	0	0	0	109	V776 G780	V776-P778 HydrophobicContact CG1-CG 4.22Å; P778-G780 PolarHBondContact O-N 3.24Å
779	D	35.9	Very low	40.4	Very low	167 Å²	167	139.5 Å²	139.5	89%	0.893	75%	0.752	S	S	*	*			trans	-68.6	127	165.7	-73.8	-47	0	0	0	109.5
780	G	34.1	Very low	38.6	Very low	73 Å²	73	139.5 Å²	139.5	75%	0.753	76%	0.762	S	S	*	*			trans	138.9	88.4	166.8	0	0	0	0	0	117.8	P778	P778-G780 PolarHBondContact O-N 3.24Å
781	A	34.9	Very low	37.4	Very low	92 Å²	92	140.4 Å²	140.4	76%	0.76	77%	0.768	S	S	*	*			trans	66.1	111.6	138.7	0	0	0	0	0	122.3
782	T	35.2	Very low	36.2	Very low	125 Å²	125	142.1 Å²	142.1	77%	0.767	78%	0.779	S	S	*	*			trans	69.1	103.6	133.8	45.5	0	0	0	0	122.6
783	T	30	Very low	35.2	Very low	114 Å²	114	146.5 Å²	146.5	70%	0.699	79%	0.791	S	S	*	*				46.1	117.1	124.9	55.9	0	0	0	0	119
784	N	33.8	Very low	33.9	Very low	157 Å²	157	144.2 Å²	144.2	84%	0.84	79%	0.792	S	S	*	*				-161.3	162.8	64.9	-94.3	-34.7	0	0	0	113.3
785	Q	33.2	Very low	33.4	Very low	176 Å²	176	144.2 Å²	144.2	82%	0.822	80%	0.796	S	S	*	*			trans	-81.8	151.4	175.2	-62.9	158.6	-77.4	0	0	111.7
786	E	33.6	Very low	32.9	Very low	197 Å²	197	149.5 Å²	149.5	92%	0.921	81%	0.806	S	S	*	*				-155.2	146	127.2	-116.3	167.3	-152.8	0	0	110.9
787	V	31.1	Very low	32.8	Very low	115 Å²	115	149.6 Å²	149.6	70%	0.697	81%	0.809	S	S	*	*			trans	-118.3	128.3	-170.9	172.1	0	0	0	0	108.3
788	I	34.8	Very low	32.7	Very low	171 Å²	171	148.6 Å²	148.6	88%	0.877	81%	0.81	S	S	*	*			trans	-132.4	115.4	161.3	-57	-177.5	0	0	0	108.5
789	E	28.1	Very low	32.3	Very low	162 Å²	162	148.3 Å²	148.3	76%	0.757	81%	0.81	S	S	*	*			trans	-103.9	165.4	177.9	-138.6	175.8	-167.2	0	0	109.4
790	C	27.5	Very low	32.3	Very low	99 Å²	99	149.9 Å²	149.9	67%	0.669	81%	0.813	S	S	*	*			trans	67.7	153.9	168.9	-72.8	0	0	0	0	116.9
791	Q	36.6	Very low	32.2	Very low	178 Å²	178	153.4 Å²	153.4	83%	0.832	81%	0.809	S	S	*	*			cis	-154.6	153.5	9.4	-127.8	151.1	54.6	0	0	110.9
792	T	25.2	Very low	32.3	Very low	135 Å²	135	157.4 Å²	157.4	83%	0.828	82%	0.816	S	S	*	*			trans	-81.3	145.8	174.3	43.1	0	0	0	0	112.6
793	R	32.8	Very low	32.2	Very low	252 Å²	252	158.4 Å²	158.4	95%	0.951	81%	0.81	S	S	*	*			trans	-145.9	124.1	154.7	-118.2	-178.6	-176.7	-171.8	-0.7	111.2
794	T	26.6	Very low	32.4	Very low	131 Å²	131	161 Å²	161	80%	0.804	82%	0.819	S	S	*	*			trans	-94.9	132.7	177	45.8	0	0	0	0	110.5
795	E	34	Very low	32.3	Very low	200 Å²	200	157.8 Å²	157.8	94%	0.935	82%	0.815	S	S	*	*			trans	-137.6	140.6	150.5	-69.3	-166.5	170.1	0	0	108.8
796	E	33.1	Very low	32.6	Very low	191 Å²	191	154.7 Å²	154.7	89%	0.893	81%	0.81	S	S	*	*			trans	-108.3	-179.7	-170.4	-114.8	-154.7	172.2	0	0	111.2
797	P	36.3	Very low	32.6	Very low	108 Å²	108	153.3 Å²	153.3	70%	0.701	80%	0.803	S	S	*	*			trans	-100.2	175.6	-137.3	40.6	-39.1	0	0	0	115.1
798	N	31.5	Very low	32.8	Very low	168 Å²	168	151.7 Å²	151.7	90%	0.898	81%	0.81	S	S	*	*			trans	-138.6	148.7	157.4	-113.8	-28.3	0	0	0	111.9
799	S	29.7	Very low	32.7	Very low	103 Å²	103	153.7 Å²	153.7	72%	0.72	81%	0.807	S	S	*	*			trans	-88.6	153.9	-173	51.9	0	0	0	0	114
800	E	35.8	Very low	32.9	Very low	201 Å²	201	153 Å²	153	94%	0.939	81%	0.814	S	S	*	*			trans	-161	157.7	136.1	-115.8	169.4	-156.6	0	0	112.9
801	E	32.6	Very low	33	Very low	146 Å²	146	153 Å²	153	68%	0.682	82%	0.82	S	S	*	*			trans	-79.4	166.2	-173.5	-58.7	177.3	96.8	0	0	113.7	K803	E801-K803 IonicContact OE1-NZ 3.39Å; E801-K803 PolarHBondContact OE1-NZ 3.4Å
802	I	36.2	Very low	32.8	Very low	177 Å²	177	150.8 Å²	150.8	91%	0.908	82%	0.823	S	S	*	*				-167.5	151.5	127.6	-95.9	149.7	0	0	0	110.1
803	K	33.2	Very low	33.1	Very low	145 Å²	145	149.3 Å²	149.3	63%	0.63	82%	0.818	S	S	*	*			trans	-102.5	156.2	-168.9	-65.8	148.8	-178.8	145	0	111.7	E801	E801-K803 IonicContact OE1-NZ 3.39Å; E801-K803 PolarHBondContact OE1-NZ 3.4Å
804	D	35.2	Very low	33.1	Very low	168 Å²	168	143.4 Å²	143.4	90%	0.898	81%	0.81	S	S	*	*				173.1	158.3	118.5	-85.9	-24.8	0	0	0	114.1
805	A	31.4	Very low	33.5	Very low	90 Å²	90	141.6 Å²	141.6	74%	0.744	80%	0.803	S	S	*	*			trans	-128.7	-159.8	-177.4	0	0	0	0	0	108.5
806	P	40.2	Very low	33.6	Very low	112 Å²	112	140 Å²	140	73%	0.727	80%	0.795	S	S	*	*			cis	-144.8	-179.3	-1.2	42.7	-22.3	0	0	0	117.9
807	E	33.6	Very low	33.6	Very low	167 Å²	167	139.6 Å²	139.6	78%	0.78	79%	0.793	S	S	*	*			trans	62.7	141	143.1	-82	-171.6	-159.9	0	0	125.8
808	G	34.4	Very low	33.4	Very low	82 Å²	82	138.3 Å²	138.3	85%	0.845	79%	0.792	S	S	*	*			trans	-173.3	98.1	163.3	0	0	0	0	0	112.6
809	R	32.9	Very low	33.6	Very low	213 Å²	213	137.4 Å²	137.4	80%	0.804	79%	0.792	S	S	*	*			trans	-93.2	153.8	-179.9	-60.1	177.4	-175.9	179.2	0.4	112.9
810	V	33	Very low	33.6	Very low	148 Å²	148	136.8 Å²	136.8	90%	0.897	79%	0.793	S	S	*	*			trans	-146.6	140	131.4	-176.7	0	0	0	0	109.5
811	A	29.4	Very low	33.5	Very low	97 Å²	97	133.3 Å²	133.3	80%	0.802	79%	0.786	S	S	*	*			trans	-138.5	159.4	168.9	0	0	0	0	0	109.9
812	C	32.1	Very low	33.6	Very low	132 Å²	132	135.2 Å²	135.2	89%	0.892	79%	0.794	S	S	*	*			trans	-150.7	147.2	166	-163.7	0	0	0	0	110.6
813	S	31.6	Very low	33.3	Very low	104 Å²	104	135.7 Å²	135.7	73%	0.727	79%	0.793	S	S	*	*			trans	-160.5	138.3	-164.3	55.3	0	0	0	0	112.7
814	T	33.5	Very low	33.8	Very low	128 Å²	128	134.5 Å²	134.5	79%	0.785	80%	0.8	S	S	*	*			trans	-168.9	119	158.3	27.4	0	0	0	0	106.8
815	S	34.4	Very low	33.9	Very low	93 Å²	93	132.8 Å²	132.8	65%	0.65	80%	0.798	S	S	*	*				64.6	140.7	89.9	76.1	0	0	0	0	113.6
816	E	34.7	Very low	33.9	Very low	167 Å²	167	132.4 Å²	132.4	78%	0.78	80%	0.802	S	S	*	*			cis	-165.3	165.5	17	-132.4	151.4	-164.1	0	0	111.8
817	E	34.1	Very low	33.8	Very low	182 Å²	182	136.5 Å²	136.5	85%	0.85	81%	0.812	S	S	*	*			trans	62	150.5	158.3	-62.9	-169.5	150.5	0	0	121.9
818	A	32.9	Very low	33.7	Very low	81 Å²	81	135.9 Å²	135.9	67%	0.669	81%	0.814	S	S	*	*			cis	-169	175.2	-21.4	0	0	0	0	0	111.9
819	V	33.9	Very low	33.6	Very low	149 Å²	149	138.6 Å²	138.6	90%	0.903	81%	0.814	S	S	*	*			trans	89.5	129.9	161.4	-165.9	0	0	0	0	118.9
820	A	30.3	Very low	33.4	Very low	90 Å²	90	134.3 Å²	134.3	74%	0.744	81%	0.811	S	S	*	*			trans	-133.5	158.4	-173.5	0	0	0	0	0	112.6
821	V	32.9	Very low	33.4	Very low	128 Å²	128	133.4 Å²	133.4	78%	0.776	81%	0.806	S	S	*	*			trans	-149.4	107	157.4	-179.2	0	0	0	0	112.4
822	Q	35.3	Very low	33.3	Very low	186 Å²	186	137.6 Å²	137.6	87%	0.869	81%	0.809	S	S	*	*			trans	43	139.7	135.9	-61.2	172.9	-19.4	0	0	124.7
823	E	30.5	Very low	33.3	Very low	188 Å²	188	139.4 Å²	139.4	88%	0.879	81%	0.807	S	S	*	*			trans	-97.7	170.9	168.4	-52.3	177.4	134.5	0	0	112.7
824	P	43.1	Very low	33.4	Very low	120 Å²	120	143.6 Å²	143.6	78%	0.779	82%	0.815	S	S	*	*			trans	-113	155.2	153.6	37.2	-27.6	0	0	0	113.6
825	P	37.5	Very low	33.1	Very low	132 Å²	132	143.6 Å²	143.6	86%	0.857	81%	0.814	S	S	*	*			trans	-94.4	166.1	-161.4	37.8	-37.9	0	0	0	116.1
826	G	31.4	Very low	33.1	Very low	81 Å²	81	148 Å²	148	84%	0.835	83%	0.825	S	S	*	*			trans	-85.2	-165.5	-171.9	0	0	0	0	0	118.4
827	E	38.8	Very low	32.8	Very low	198 Å²	198	146.2 Å²	146.2	93%	0.925	83%	0.825	S	S	*	*			trans	-143.5	131.4	173.7	-139.6	171.4	-154.2	0	0	109.1
828	N	30.9	Very low	32.8	Very low	155 Å²	155	145.5 Å²	145.5	83%	0.829	83%	0.825	S	S	*	*			trans	-92.4	146.5	-171.4	-71.6	-37.4	0	0	0	112.3
829	V	32.8	Very low	32.7	Very low	139 Å²	139	147.4 Å²	147.4	84%	0.842	83%	0.834	S	S	*	*			trans	-135.2	106.7	154.6	-178.5	0	0	0	0	108.8	V831	V829-V831 HydrophobicContact CG1-CG2 4.48Å
830	T	28.8	Very low	32.7	Very low	122 Å²	122	143.2 Å²	143.2	75%	0.748	82%	0.821	S	S	*	*			trans	-90.3	142.9	166.6	40.6	0	0	0	0	109.8
831	V	32	Very low	32.9	Very low	130 Å²	130	145.1 Å²	145.1	79%	0.788	82%	0.823	S	S	*	*			trans	-134.2	105.9	162.3	179.9	0	0	0	0	106.8	V829	V829-V831 HydrophobicContact CG1-CG2 4.48Å
832	E	27.7	Very low	32.9	Very low	184 Å²	184	146.1 Å²	146.1	86%	0.86	82%	0.824	S	S	*	*			trans	-85.9	133.7	168.3	-61.6	175.6	149.5	0	0	108.1
833	M	32.2	Very low	32.8	Very low	171 Å²	171	142.6 Å²	142.6	84%	0.842	82%	0.82	S	S	*	*			trans	-141.5	135.9	155.7	-79.7	-162	70	0	0	109.3
834	E	33	Very low	32.8	Very low	191 Å²	191	139.5 Å²	139.5	89%	0.893	82%	0.819	S	S	*	*			trans	-68.2	152	-156.4	-65	154.2	140.5	0	0	114.8
835	V	28.1	Very low	32.6	Very low	129 Å²	129	139.6 Å²	139.6	78%	0.782	82%	0.817	S	S	*	*			trans	-100.6	115	172	177.5	0	0	0	0	108.3	T837	V835-T837 HydrophobicContact CG1-CG2 4.23Å
836	E	33.4	Very low	32.4	Very low	186 Å²	186	141.1 Å²	141.1	87%	0.869	82%	0.817	S	S	*	*			trans	-91.1	117.9	161	-75.5	-163.5	145	0	0	109.8
837	T	29.6	Very low	32.5	Very low	129 Å²	129	141.9 Å²	141.9	79%	0.791	82%	0.816	S	S	*	*			trans	-85.1	124.7	177.1	34.7	0	0	0	0	111	V835	V835-T837 HydrophobicContact CG1-CG2 4.23Å
838	I	33.7	Very low	32.6	Very low	166 Å²	166	142.1 Å²	142.1	85%	0.851	81%	0.814	S	S	*	*			trans	-120.3	122.5	160.9	-59	-178.9	0	0	0	108.4
839	S	31	Very low	32.8	Very low	122 Å²	122	143.9 Å²	143.9	85%	0.853	82%	0.817	S	S	*	*			trans	-88.2	152.1	-177.8	44.6	0	0	0	0	112.4
840	G	33.6	Very low	32.8	Very low	60 Å²	60	146.3 Å²	146.3	62%	0.619	82%	0.821	S	S	*	*			trans	153.2	73.8	-178.7	0	0	0	0	0	111.3
841	T	34.9	Very low	32.9	Very low	130 Å²	130	152.1 Å²	152.1	80%	0.798	85%	0.848	S	S	*	*				77.1	118	100.6	55.2	0	0	0	0	115.2
842	D	31.8	Very low	33	Very low	150 Å²	150	153.3 Å²	153.3	80%	0.802	85%	0.851	S	S	*	*			trans	63	108.7	153.3	-53.8	-19	0	0	0	120.7
843	S	34	Very low	33.3	Very low	111 Å²	111	151.6 Å²	151.6	78%	0.776	85%	0.851	S	S	*	*			trans	-170	57.8	138.9	-82.8	0	0	0	0	112.8	V845	S843-V845 VanDerWaalsContact C-N 3.3Å; S843-V845 PolarHBondContact O-N 2.64Å
844	S	31.3	Very low	33.3	Very low	123 Å²	123	150.6 Å²	150.6	86%	0.86	85%	0.851	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	67.3	173.3	57.8	0	0	0	0	112.3
845	V	37	Very low	33.3	Very low	123 Å²	123	148.2 Å²	148.2	75%	0.745	85%	0.849	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.7	-25.9	-177.5	-176.6	0	0	0	0	114.9	S843 A847	S843-V845 VanDerWaalsContact C-N 3.3Å; S843-V845 PolarHBondContact O-N 2.64Å; V845-A847 PolarHBondContact O-N 2.76Å
846	L	34.5	Very low	33.7	Very low	163 Å²	163	149.4 Å²	149.4	85%	0.853	85%	0.853	S	S	*	*			trans	-98.2	36.4	-161.8	-67	172.2	0	0	0	116.5
847	A	32.7	Very low	33.7	Very low	97 Å²	97	146.9 Å²	146.9	80%	0.802	85%	0.852	S	S	*	*	S	Bend	trans	-122.7	25.4	-172.1	0	0	0	0	0	115.7	V845	V845-A847 PolarHBondContact O-N 2.76Å
848	K	40.7	Very low	34	Very low	204 Å²	204	148.2 Å²	148.2	89%	0.887	86%	0.856	S	S	*	*	S	Bend	trans	-137.1	6.4	-175.6	-93.2	-172	175.2	-177.6	0	117.7
849	E	35.9	Very low	34	Very low	191 Å²	191	146.8 Å²	146.8	89%	0.893	86%	0.856	S	S	*	*	S	Bend	trans	-122.4	32.2	-175	-65.8	-164	135.1	0	0	115
850	M	32.7	Very low	34.2	Very low	190 Å²	190	148.9 Å²	148.9	94%	0.936	86%	0.857	S	S	*	*			trans	-140.1	80	172.7	-71.3	-170.5	66.2	0	0	112.3
851	D	31.7	Very low	34.3	Very low	245 Å²	245	157 Å²	157	100%	1.31	88%	0.878	S	S	*	*			trans	-118.8	0	152.7	-113.5	-19.2	0	0	0	107.3

Retrieved 851 of 851 residues in 343.5 ms (Link to these results)

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