A0A087X5M4_POEFO Loading...

RAN binding protein 9

AlphaFold DB , UniProt , Accession A0A087X5M4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 601 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.2	Very low	30.4	Very low	233 Å²	233	136.9 Å²	136.9	100%	1.148	86%	0.855	S	S	*	*				0	154.5	0	-63.3	167.1	76.8	0	0	107.8
2	S	33.8	Very low	30.4	Very low	115 Å²	115	138.5 Å²	138.5	80%	0.804	85%	0.847	S	S	*	*			trans	19.8	117.1	163.3	53.5	0	0	0	0	118.7
3	G	32.5	Very low	30.6	Very low	77 Å²	77	134.8 Å²	134.8	79%	0.794	83%	0.831	S	S	*	*			cis	101.8	124.4	11.1	0	0	0	0	0	112.4
4	Q	28.6	Very low	31.1	Very low	206 Å²	206	135.4 Å²	135.4	96%	0.963	83%	0.834	S	S	*	*			trans	-158.5	171.5	169.8	-117.5	176.1	14.8	0	0	111.4
5	S	31.1	Very low	32.2	Very low	103 Å²	103	133.9 Å²	133.9	72%	0.72	82%	0.823	S	S	*	*			trans	-138.9	144	-166.5	169.4	0	0	0	0	111.6
6	T	32.1	Very low	32.8	Very low	147 Å²	147	132.9 Å²	132.9	90%	0.902	82%	0.817	S	S	*	*			trans	165.5	157.9	133.9	34	0	0	0	0	110.4
7	G	26.3	Very low	33.2	Very low	79 Å²	79	135.1 Å²	135.1	81%	0.814	82%	0.815	S	S	*	*			trans	138.6	53.7	173.8	0	0	0	0	0	115.5	G9	G7-G9 PolarHBondContact O-N 2.97Å
8	C	30.4	Very low	33.7	Very low	129 Å²	129	130.2 Å²	130.2	87%	0.872	80%	0.796	S	S	*	*			trans	-82.3	115.1	174.8	-170.2	0	0	0	0	110.5
9	G	27.1	Very low	34.9	Very low	69 Å²	69	129.4 Å²	129.4	71%	0.711	79%	0.787	S	S	*	*			trans	-107.3	119.6	173.8	0	0	0	0	0	111.1	G7 L11	G7-G9 PolarHBondContact O-N 2.97Å; G9-L11 PolarHBondContact O-N 2.84Å
10	F	32.8	Very low	36.3	Very low	176 Å²	176	126.3 Å²	126.3	77%	0.772	77%	0.771	S	S	*	*			trans	-71.9	123	177.1	-114.1	-104.8	0	0	0	110.9	M12	F10-M12 HydrophobicContact CD1-CG 4.15Å; F10-M12 HydrophobicContact CE1-CE 4.19Å; F10-M12 HydrophobicContact CE1-CG 4.36Å
11	L	29.1	Very low	37.6	Very low	172 Å²	172	122.4 Å²	122.4	90%	0.901	75%	0.752	S	S	*	*			trans	-123.8	107.8	156.5	-77.2	173.5	0	0	0	107.4	G9	G9-L11 PolarHBondContact O-N 2.84Å
12	M	30	Very low	39.3	Very low	156 Å²	156	115.4 Å²	115.4	77%	0.768	72%	0.719	S	S	*	*			trans	-69.5	142.7	175	-85.7	-171.1	164.1	0	0	110.7	F10	F10-M12 HydrophobicContact CD1-CG 4.15Å; F10-M12 HydrophobicContact CE1-CE 4.19Å; F10-M12 HydrophobicContact CE1-CG 4.36Å
13	S	33.5	Very low	41.4	Very low	91 Å²	91	113.8 Å²	113.8	64%	0.636	70%	0.701	S	S	*	*			trans	-64.3	134	173.7	178.7	0	0	0	0	111.2	V15	S13-V15 PolarHBondContact OG-N 3.23Å
14	V	37.4	Very low	44	Very low	143 Å²	143	115.6 Å²	115.6	87%	0.867	69%	0.689	S	S	*	*			trans	-121.7	49.7	166.5	-167.2	0	0	0	0	109
15	V	46.5	Very low	46.7	Very low	112 Å²	112	111.1 Å²	111.1	68%	0.679	67%	0.668	S	S	*	*			trans	-139.8	65.7	178	-165.2	0	0	0	0	111.2	S13	S13-V15 PolarHBondContact OG-N 3.23Å
16	V	42.9	Very low	49.5	Very low	118 Å²	118	111.7 Å²	111.7	72%	0.715	66%	0.659	S	S	*	*	S	Bend	trans	-147.2	46	172.1	-156.4	0	0	0	0	112.6
17	H	39.6	Very low	52.3	Low	171 Å²	171	110.5 Å²	110.5	79%	0.792	64%	0.641	S	S	*	*	S	Bend	trans	-142	-13.1	174.9	-86.4	81.2	0	0	0	115.1
18	G	42.3	Very low	55.6	Low	46 Å²	46	111.6 Å²	111.6	47%	0.474	63%	0.625	S	S	.	*	H	α-helix	trans	-84.2	-41.2	178.5	0	0	0	0	0	113.9	S20 L22	G18-S20 VanDerWaalsContact C-N 3.34Å; G18-S20 PolarHBondContact O-N 3.36Å; G18-L22 PolarHBondContact O-N 2.81Å
19	D	56.2	Low	58.6	Low	116 Å²	116	106.2 Å²	106.2	62%	0.62	59%	0.588	S	S	*	*	H	α-helix	trans	-72.6	-23.7	-170.3	-59.4	-41.6	0	0	0	113.9	N23	D19-N23 WeakPolarHBondContact O-CB 3.48Å; D19-N23 PolarHBondContact O-N 3.48Å
20	S	62.2	Low	61.9	Low	66 Å²	66	104.9 Å²	104.9	46%	0.462	57%	0.565	S	S	.	*	H	α-helix	trans	-68.7	-53.3	176.9	45.5	0	0	0	0	111.8	G18 L22 N23 E24	G18-S20 VanDerWaalsContact C-N 3.34Å; G18-S20 PolarHBondContact O-N 3.36Å; S20-L22 VanDerWaalsContact C-N 3.35Å; S20-L22 PolarHBondContact O-N 2.88Å; S20-N23 WeakPolarHBondContact O-CB 3.22Å; S20-N23 PolarHBondContact O-N 3.16Å; S20-N23 VanDerWaalsContact O-N 3.17Å; S20-E24 WeakPolarHBondContact O-CG 3.47Å; S20-E24 PolarHBondContact O-N 2.99Å
21	A	64.3	Low	64.9	Low	45 Å²	45	103.4 Å²	103.4	37%	0.372	56%	0.56	S	S	.	*	H	α-helix	trans	-65.6	-35.6	-175.9	0	0	0	0	0	112.8	E24 Q25	A21-E24 PolarHBondContact O-N 3.18Å; A21-Q25 WeakPolarHBondContact O-CG 3.42Å; A21-Q25 PolarHBondContact O-N 2.68Å
22	L	66.8	Low	68.1	Low	87 Å²	87	97.6 Å²	97.6	46%	0.455	53%	0.526	S	S	.	.	H	α-helix	trans	-66.3	-40.3	174.2	-69.5	172.3	0	0	0	111.7	G18 S20 Q25 E26	G18-L22 PolarHBondContact O-N 2.81Å; S20-L22 VanDerWaalsContact C-N 3.35Å; S20-L22 PolarHBondContact O-N 2.88Å; L22-Q25 PolarHBondContact O-N 3.26Å; L22-E26 WeakPolarHBondContact O-CB 3.37Å; L22-E26 PolarHBondContact O-N 3.3Å
23	N	77.9	Confident	71.3	Confident	81 Å²	81	90.3 Å²	90.3	43%	0.433	49%	0.49	S	S	.	.	H	α-helix	trans	-68.4	-33.5	177.3	-173.8	-31.2	0	0	0	111.7	D19 S20 K27	D19-N23 WeakPolarHBondContact O-CB 3.48Å; D19-N23 PolarHBondContact O-N 3.48Å; S20-N23 WeakPolarHBondContact O-CB 3.22Å; S20-N23 PolarHBondContact O-N 3.16Å; S20-N23 VanDerWaalsContact O-N 3.17Å; N23-K27 WeakPolarHBondContact O-CD 3.36Å; N23-K27 VanDerWaalsContact O-CG 3.26Å; N23-K27 WeakPolarHBondContact O-CG 3.27Å; N23-K27 PolarHBondContact O-N 3.32Å; N23-K27 WeakPolarHBondContact OD1-CE 3.24Å; N23-K27 PolarHBondContact OD1-NZ 3.1Å
24	E	87.1	Confident	74.3	Confident	115 Å²	115	94.6 Å²	94.6	54%	0.537	49%	0.492	S	S	.	.	H	α-helix	trans	-67.7	-46.6	171.6	-72.8	173.5	158.6	0	0	112.3	S20 A21 E26 K27 E28	S20-E24 WeakPolarHBondContact O-CG 3.47Å; S20-E24 PolarHBondContact O-N 2.99Å; A21-E24 PolarHBondContact O-N 3.18Å; E24-E26 VanDerWaalsContact C-N 3.29Å; E24-E26 PolarHBondContact O-N 3.28Å; E24-K27 WeakPolarHBondContact O-CB 3.43Å; E24-K27 PolarHBondContact O-N 2.93Å; E24-K27 VanDerWaalsContact O-N 3.13Å; E24-E28 PolarHBondContact O-N 3.02Å
25	Q	86.1	Confident	77	Confident	111 Å²	111	95.6 Å²	95.6	52%	0.519	48%	0.48	S	S	.	.	H	α-helix	trans	-59.8	-38.6	174.1	-71.5	174.8	4	0	0	112.4	A21 L22 L29	A21-Q25 WeakPolarHBondContact O-CG 3.42Å; A21-Q25 PolarHBondContact O-N 2.68Å; L22-Q25 PolarHBondContact O-N 3.26Å; Q25-L29 WeakPolarHBondContact O-CB 3.42Å; Q25-L29 PolarHBondContact O-N 2.99Å
26	E	89.5	Confident	79.4	Confident	116 Å²	116	90.4 Å²	90.4	54%	0.542	45%	0.449	S	S	.	.	H	α-helix	trans	-67.8	-38.3	174.8	-179.5	165.1	-156.7	0	0	112.4	L22 E24 N30	L22-E26 WeakPolarHBondContact O-CB 3.37Å; L22-E26 PolarHBondContact O-N 3.3Å; E24-E26 VanDerWaalsContact C-N 3.29Å; E24-E26 PolarHBondContact O-N 3.28Å; E26-N30 WeakPolarHBondContact CG-ND2 3.2Å; E26-N30 WeakPolarHBondContact O-CB 3.39Å; E26-N30 PolarHBondContact O-N 3.28Å; E26-N30 PolarHBondContact O-ND2 2.97Å
27	K	91.4	Very high	82	Confident	121 Å²	121	85 Å²	85	53%	0.526	42%	0.416	S	S	.	.	H	α-helix	trans	-62.9	-46.8	173	-75.9	160.9	178.5	148.3	0	112.1	N23 E24 N30 Q31	N23-K27 WeakPolarHBondContact O-CD 3.36Å; N23-K27 VanDerWaalsContact O-CG 3.26Å; N23-K27 WeakPolarHBondContact O-CG 3.27Å; N23-K27 PolarHBondContact O-N 3.32Å; N23-K27 WeakPolarHBondContact OD1-CE 3.24Å; N23-K27 PolarHBondContact OD1-NZ 3.1Å; E24-K27 WeakPolarHBondContact O-CB 3.43Å; E24-K27 PolarHBondContact O-N 2.93Å; E24-K27 VanDerWaalsContact O-N 3.13Å; K27-N30 PolarHBondContact O-N 3.46Å; K27-Q31 WeakPolarHBondContact O-CB 3.39Å; K27-Q31 PolarHBondContact O-N 3.37Å
28	E	93.9	Very high	84.6	Confident	103 Å²	103	80.8 Å²	80.8	48%	0.481	40%	0.404	S	S	.	.	H	α-helix	trans	-60.4	-46	177.4	-76	-170	-160	0	0	112	E24 N30 Q31 R32	E24-E28 PolarHBondContact O-N 3.02Å; E28-N30 PolarHBondContact O-N 2.94Å; E28-Q31 PolarHBondContact O-N 3.3Å; E28-R32 WeakPolarHBondContact O-CB 3.44Å; E28-R32 PolarHBondContact O-N 3.3Å; E28-R32 IonicContact OE2-NH2 2.69Å
29	L	94.6	Very high	87.1	Confident	15 Å²	15	80.9 Å²	80.9	8%	0.079	40%	0.4	C	S	.	.	H	α-helix	trans	-56.6	-50	174	174.3	65	0	0	0	110.8	Q25 Q31 R32 L33 G212 Q213	Q25-L29 WeakPolarHBondContact O-CB 3.42Å; Q25-L29 PolarHBondContact O-N 2.99Å; L29-Q31 VanDerWaalsContact C-N 3.31Å; L29-Q31 PolarHBondContact O-N 3.18Å; L29-R32 PolarHBondContact O-N 3.04Å; L29-L33 HydrophobicContact CD1-CD1 3.71Å; L29-L33 HydrophobicContact CD1-CD2 4.48Å; L29-L33 HydrophobicContact CD1-CG 3.92Å; L29-L33 HydrophobicContact CG-CD1 3.92Å; L29-L33 HydrophobicContact CG-CG 4.41Å; L29-L33 WeakPolarHBondContact O-CB 3.45Å; L29-L33 VanDerWaalsContact O-CG 3.28Å; L29-L33 WeakPolarHBondContact O-CG 3.48Å; L29-L33 PolarHBondContact O-N 2.89Å; L29-G212 VanDerWaalsContact CD1-C 3.46Å; L29-Q213 HydrophobicContact CD1-CG 4.12Å; L29-Q213 HydrophobicContact CD2-CG 4.33Å
30	N	95.1	Very high	89	Confident	42 Å²	42	76.2 Å²	76.2	23%	0.225	38%	0.376	C	S	.	.	H	α-helix	trans	-61.5	-37.1	178.8	-76.4	-41.2	0	0	0	112.7	E26 K27 E28 R34 R49	E26-N30 WeakPolarHBondContact CG-ND2 3.2Å; E26-N30 WeakPolarHBondContact O-CB 3.39Å; E26-N30 PolarHBondContact O-N 3.28Å; E26-N30 PolarHBondContact O-ND2 2.97Å; K27-N30 PolarHBondContact O-N 3.46Å; E28-N30 PolarHBondContact O-N 2.94Å; N30-R34 WeakPolarHBondContact O-CB 3.4Å; N30-R34 WeakPolarHBondContact O-CD 3.48Å; N30-R34 VanDerWaalsContact O-CG 3.23Å; N30-R34 WeakPolarHBondContact O-CG 3.4Å; N30-R34 PolarHBondContact O-N 3.12Å; N30-R49 VanDerWaalsContact OD1-CZ 3.26Å; N30-R49 PolarHBondContact OD1-NH1 3.2Å; N30-R49 PolarHBondContact OD1-NH2 3.43Å
31	Q	95.9	Very high	90.5	Very high	144 Å²	144	76.2 Å²	76.2	67%	0.673	37%	0.37	S	S	*	.	H	α-helix	trans	-70.5	-43.7	176.5	-171.4	175.9	5.1	0	0	111.9	K27 E28 L29 R34 R35	K27-Q31 WeakPolarHBondContact O-CB 3.39Å; K27-Q31 PolarHBondContact O-N 3.37Å; E28-Q31 PolarHBondContact O-N 3.3Å; L29-Q31 VanDerWaalsContact C-N 3.31Å; L29-Q31 PolarHBondContact O-N 3.18Å; Q31-R34 PolarHBondContact O-N 3.36Å; Q31-R35 PolarHBondContact O-N 2.87Å; Q31-R35 VanDerWaalsContact O-N 3.12Å
32	R	96.3	Very high	91.9	Very high	51 Å²	51	76.3 Å²	76.3	19%	0.192	36%	0.363	C	S	.	.	H	α-helix	trans	-66.6	-43	179.1	-165.4	174.2	-62.6	108.8	0.9	111.7	E28 L29 R34 R35 L36 G212 Q213	E28-R32 WeakPolarHBondContact O-CB 3.44Å; E28-R32 PolarHBondContact O-N 3.3Å; E28-R32 IonicContact OE2-NH2 2.69Å; L29-R32 PolarHBondContact O-N 3.04Å; R32-R34 PolarHBondContact O-N 2.78Å; R32-R35 PolarHBondContact O-N 2.75Å; R32-L36 HydrophobicContact CG-CD1 4.09Å; R32-L36 WeakPolarHBondContact O-CG 3.48Å; R32-L36 PolarHBondContact O-N 2.98Å; R32-G212 WeakPolarHBondContact CD-O 3.44Å; R32-G212 PolarHBondContact NH1-O 3.41Å; R32-Q213 PolarHBondContact NH1-O 3.3Å
33	L	97.4	Very high	93.2	Very high	2 Å²	2	79.6 Å²	79.6	1%	0.01	38%	0.381	C	S	.	.	H	α-helix	trans	-63.1	-40.7	176.2	-68.9	178.4	0	0	0	112.4	L29 R35 L36 Y37 L47 R49 F211	L29-L33 HydrophobicContact CD1-CD1 3.71Å; L29-L33 HydrophobicContact CD1-CD2 4.48Å; L29-L33 HydrophobicContact CD1-CG 3.92Å; L29-L33 HydrophobicContact CG-CD1 3.92Å; L29-L33 HydrophobicContact CG-CG 4.41Å; L29-L33 WeakPolarHBondContact O-CB 3.45Å; L29-L33 VanDerWaalsContact O-CG 3.28Å; L29-L33 WeakPolarHBondContact O-CG 3.48Å; L29-L33 PolarHBondContact O-N 2.89Å; L33-R35 VanDerWaalsContact C-N 3.33Å; L33-R35 PolarHBondContact O-N 3.49Å; L33-L36 PolarHBondContact O-N 2.58Å; L33-Y37 HydrophobicContact CD2-CD2 3.9Å; L33-Y37 HydrophobicContact CD2-CE2 3.66Å; L33-Y37 WeakPolarHBondContact O-CB 3.3Å; L33-Y37 PolarHBondContact O-N 3.45Å; L33-L47 HydrophobicContact CB-CD1 4Å; L33-L47 HydrophobicContact CD1-CD1 4.08Å; L33-L47 HydrophobicContact CD2-CD1 4.19Å; L33-L47 HydrophobicContact CG-CD1 4.31Å; L33-R49 HydrophobicContact CD1-CG 4.08Å; L33-R49 VanDerWaalsContact CD1-CZ 3.5Å; L33-F211 WeakPolarHBondContact CD2-O 3.48Å
34	R	96.1	Very high	93.9	Very high	182 Å²	182	80.4 Å²	80.4	69%	0.687	38%	0.382	S	S	*	.	H	α-helix	trans	-65.8	-31.7	175	-74.6	173.6	-177.5	-172.2	1	113.6	N30 Q31 R32 P38	N30-R34 WeakPolarHBondContact O-CB 3.4Å; N30-R34 WeakPolarHBondContact O-CD 3.48Å; N30-R34 VanDerWaalsContact O-CG 3.23Å; N30-R34 WeakPolarHBondContact O-CG 3.4Å; N30-R34 PolarHBondContact O-N 3.12Å; Q31-R34 PolarHBondContact O-N 3.36Å; R32-R34 PolarHBondContact O-N 2.78Å; R34-P38 WeakPolarHBondContact O-CA 3.46Å; R34-P38 WeakPolarHBondContact O-CB 3.48Å
35	R	95.6	Very high	94.2	Very high	163 Å²	163	77.7 Å²	77.7	62%	0.615	37%	0.374	S	S	*	.	H	α-helix	trans	-71.5	-42.1	175.9	175.8	175	171.1	150.2	-5.4	112.3	Q31 R32 L33 E221	Q31-R35 PolarHBondContact O-N 2.87Å; Q31-R35 VanDerWaalsContact O-N 3.12Å; R32-R35 PolarHBondContact O-N 2.75Å; L33-R35 VanDerWaalsContact C-N 3.33Å; L33-R35 PolarHBondContact O-N 3.49Å; R35-E221 IonicContact CZ-OE1 2.75Å; R35-E221 IonicContact CZ-OE2 2.7Å; R35-E221 IonicContact NE-OE1 3.54Å; R35-E221 PolarHBondContact NE-OE1 3.3Å; R35-E221 IonicContact NE-OE2 3.17Å; R35-E221 PolarHBondContact NE-OE2 3.02Å; R35-E221 IonicContact NH2-OE1 3.49Å; R35-E221 PolarHBondContact NH2-OE1 2.68Å; R35-E221 IonicContact NH2-OE2 2.74Å; R35-E221 PolarHBondContact NH2-OE2 2.99Å
36	L	97.1	Very high	94.8	Very high	3 Å²	3	74.8 Å²	74.8	2%	0.016	36%	0.364	C	S	.	.	H	α-helix	trans	-74.6	-45	179.8	-67.8	168.4	0	0	0	112.1	R32 L33 P38 F216 I220 E221 M224	R32-L36 HydrophobicContact CG-CD1 4.09Å; R32-L36 WeakPolarHBondContact O-CG 3.48Å; R32-L36 PolarHBondContact O-N 2.98Å; L33-L36 PolarHBondContact O-N 2.58Å; L36-P38 VanDerWaalsContact O-CD 3.29Å; L36-P38 WeakPolarHBondContact O-CD 3.42Å; L36-F216 HydrophobicContact CD1-CE2 3.83Å; L36-I220 HydrophobicContact CD2-CG2 3.89Å; L36-E221 HydrophobicContact CD2-CG 3.82Å; L36-M224 HydrophobicContact CB-CE 4.33Å; L36-M224 HydrophobicContact CB-SD 4.49Å; L36-M224 HydrophobicContact CD2-CE 4.48Å; L36-M224 HydrophobicContact CD2-SD 3.94Å; L36-M224 WeakPolarHBondContact O-CE 3.15Å
37	Y	97.3	Very high	95.2	Very high	5 Å²	5	69.4 Å²	69.4	2%	0.02	34%	0.339	C	S	.	.			trans	-123.4	53.7	-167.6	-44.4	-55.4	0	0	0	112.7	L33 A39 V40 L47 C94 V96 Y97 Y98 M224	L33-Y37 HydrophobicContact CD2-CD2 3.9Å; L33-Y37 HydrophobicContact CD2-CE2 3.66Å; L33-Y37 WeakPolarHBondContact O-CB 3.3Å; L33-Y37 PolarHBondContact O-N 3.45Å; Y37-A39 VanDerWaalsContact C-N 3.25Å; Y37-A39 PolarHBondContact O-N 3.2Å; Y37-A39 VanDerWaalsContact O-N 3.16Å; Y37-V40 WeakPolarHBondContact O-CB 3.3Å; Y37-V40 PolarHBondContact O-N 2.94Å; Y37-V40 VanDerWaalsContact O-N 3.08Å; Y37-L47 HydrophobicContact CD2-CD1 3.85Å; Y37-L47 HydrophobicContact CD2-CD2 4.07Å; Y37-C94 HydrophobicContact CD1-CB 3.72Å; Y37-C94 HydrophobicContact CE1-CB 4.14Å; Y37-C94 HydrophobicContact CG-CB 4.38Å; Y37-V96 WeakPolarHBondContact CE1-O 3.34Å; Y37-Y97 AromaticContact CE1-CD2 3.98Å; Y37-Y97 HydrophobicContact CE1-CD2 3.98Å; Y37-Y97 AromaticContact CE2-CD2 3.95Å; Y37-Y97 HydrophobicContact CE2-CD2 3.95Å; Y37-Y97 AromaticContact CE2-CE2 3.91Å; Y37-Y97 HydrophobicContact CE2-CE2 3.91Å; Y37-Y97 AromaticContact CZ-CD2 3.52Å; Y37-Y97 AromaticContact CZ-CE2 3.84Å; Y37-Y97 WeakPolarHBondContact OH-CD2 3.17Å; Y37-Y98 PolarHBondContact OH-N 3.39Å; Y37-Y98 PolarHBondContact OH-O 3.03Å; Y37-Y98 VanDerWaalsContact OH-O 3.14Å; Y37-M224 HydrophobicContact CD1-CE 3.81Å; Y37-M224 HydrophobicContact CE1-CE 3.5Å; Y37-M224 VanDerWaalsContact CE1-CE 3.5Å
38	P	94.5	Very high	95.5	Very high	83 Å²	83	63.6 Å²	63.6	54%	0.539	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-27	-169.6	25.5	-35.5	0	0	0	114.4	R34 L36 V40	R34-P38 WeakPolarHBondContact O-CA 3.46Å; R34-P38 WeakPolarHBondContact O-CB 3.48Å; L36-P38 VanDerWaalsContact O-CD 3.29Å; L36-P38 WeakPolarHBondContact O-CD 3.42Å; P38-V40 VanDerWaalsContact C-N 3.3Å; P38-V40 PolarHBondContact O-N 3.33Å
39	A	93.4	Very high	95.7	Very high	48 Å²	48	61 Å²	61	40%	0.397	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-5	178.6	0	0	0	0	0	114.3	Y37 N41 A93 A592	Y37-A39 VanDerWaalsContact C-N 3.25Å; Y37-A39 PolarHBondContact O-N 3.2Å; Y37-A39 VanDerWaalsContact O-N 3.16Å; A39-N41 PolarHBondContact O-N 3.28Å; A39-A93 HydrophobicContact CB-CB 4.49Å; A39-A592 HydrophobicContact CB-CB 4.37Å
40	V	95.6	Very high	95.9	Very high	18 Å²	18	61.3 Å²	61.3	11%	0.109	30%	0.304	C	S	.	.			trans	-82.9	109.5	-177.4	-179.5	0	0	0	0	111.5	Y37 P38 E42 T45 L47 P91 A93	Y37-V40 WeakPolarHBondContact O-CB 3.3Å; Y37-V40 PolarHBondContact O-N 2.94Å; Y37-V40 VanDerWaalsContact O-N 3.08Å; P38-V40 VanDerWaalsContact C-N 3.3Å; P38-V40 PolarHBondContact O-N 3.33Å; V40-E42 HydrophobicContact CG1-CG 4.07Å; V40-E42 PolarHBondContact O-N 2.94Å; V40-E42 VanDerWaalsContact O-N 3.07Å; V40-T45 WeakPolarHBondContact CG1-O 3.45Å; V40-L47 HydrophobicContact CG1-CD1 4.46Å; V40-L47 HydrophobicContact CG1-CD2 4.2Å; V40-L47 HydrophobicContact CG1-CG 4.07Å; V40-L47 HydrophobicContact CG2-CD2 4.44Å; V40-P91 HydrophobicContact CG1-CB 4.16Å; V40-P91 HydrophobicContact CG1-CG 4.02Å; V40-P91 HydrophobicContact CG2-CB 4.37Å; V40-A93 VanDerWaalsContact CG2-C 3.5Å; V40-A93 HydrophobicContact CG2-CB 3.92Å; V40-A93 WeakPolarHBondContact CG2-O 3.33Å
41	N	93.8	Very high	96.1	Very high	65 Å²	65	59.3 Å²	59.3	35%	0.348	29%	0.293	S	S	.	.			trans	-75.5	91.8	166.1	-175	4	0	0	0	110.5	A39 N43 E44 T45	A39-N41 PolarHBondContact O-N 3.28Å; N41-N43 PolarHBondContact O-N 3.29Å; N41-N43 WeakPolarHBondContact OD1-CB 3.48Å; N41-N43 PolarHBondContact OD1-N 3.01Å; N41-N43 PolarHBondContact OD1-ND2 3.46Å; N41-E44 WeakPolarHBondContact ND2-CG 3.3Å; N41-E44 PolarHBondContact ND2-OE1 3.38Å; N41-E44 PolarHBondContact O-N 3.14Å; N41-T45 PolarHBondContact O-N 2.9Å; N41-T45 PolarHBondContact O-OG1 3.46Å
42	E	94.2	Very high	96.2	Very high	48 Å²	48	53.1 Å²	53.1	22%	0.224	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-10.2	179.5	-74.4	-165.9	-83.2	0	0	115	V40 P46 L47 R49	V40-E42 HydrophobicContact CG1-CG 4.07Å; V40-E42 PolarHBondContact O-N 2.94Å; V40-E42 VanDerWaalsContact O-N 3.07Å; E42-P46 WeakPolarHBondContact O-CA 3.33Å; E42-P46 WeakPolarHBondContact O-CG 3.17Å; E42-L47 HydrophobicContact CG-CD1 4.06Å; E42-L47 HydrophobicContact CG-CG 4.08Å; E42-L47 WeakPolarHBondContact OE2-CB 3.44Å; E42-L47 PolarHBondContact OE2-N 3.38Å; E42-R49 IonicContact OE1-CZ 2.82Å; E42-R49 IonicContact OE1-NH2 3.24Å; E42-R49 PolarHBondContact OE1-NH2 2.95Å; E42-R49 IonicContact OE2-CZ 3.17Å; E42-R49 VanDerWaalsContact OE2-CZ 3.31Å; E42-R49 IonicContact OE2-NE 3.76Å; E42-R49 PolarHBondContact OE2-NE 3.37Å; E42-R49 IonicContact OE2-NH2 2.66Å; E42-R49 PolarHBondContact OE2-NH2 3.38Å
43	N	94.1	Very high	96.3	Very high	155 Å²	155	53.8 Å²	53.8	83%	0.829	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-22.9	171.4	-54.3	-78.3	0	0	0	112.8	N41	N41-N43 PolarHBondContact O-N 3.29Å; N41-N43 WeakPolarHBondContact OD1-CB 3.48Å; N41-N43 PolarHBondContact OD1-N 3.01Å; N41-N43 PolarHBondContact OD1-ND2 3.46Å
44	E	92.5	Very high	96.4	Very high	98 Å²	98	63 Å²	63	46%	0.458	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-44.8	177	-70.3	178.6	-138.2	0	0	111.2	N41 R585	N41-E44 WeakPolarHBondContact ND2-CG 3.3Å; N41-E44 PolarHBondContact ND2-OE1 3.38Å; N41-E44 PolarHBondContact O-N 3.14Å; E44-R585 IonicContact OE1-CZ 3.16Å; E44-R585 IonicContact OE1-NH2 3.23Å; E44-R585 PolarHBondContact OE1-NH2 3.21Å; E44-R585 IonicContact OE2-CZ 3.52Å; E44-R585 IonicContact OE2-NE 3.33Å; E44-R585 PolarHBondContact OE2-NE 3.48Å; E44-R585 IonicContact OE2-NH2 3.57Å; E44-R585 PolarHBondContact OE2-NH2 2.69Å
45	T	94.8	Very high	96.5	Very high	59 Å²	59	56.4 Å²	56.4	36%	0.362	30%	0.295	S	S	.	.	S	Bend	trans	-130.7	82.3	-178.4	55	0	0	0	0	109.9	V40 N41	V40-T45 WeakPolarHBondContact CG1-O 3.45Å; N41-T45 PolarHBondContact O-N 2.9Å; N41-T45 PolarHBondContact O-OG1 3.46Å
46	P	97.4	Very high	96.6	Very high	49 Å²	49	51.8 Å²	51.8	32%	0.318	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-63.6	143.5	-178.5	-16.1	27.5	0	0	0	111.8	E42 H88	E42-P46 WeakPolarHBondContact O-CA 3.33Å; E42-P46 WeakPolarHBondContact O-CG 3.17Å; P46-H88 VanDerWaalsContact O-CB 3.29Å; P46-H88 WeakPolarHBondContact O-CB 3.45Å
47	L	98.4	Very high	96.7	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.016	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-73.3	149.3	179.8	-72	162.5	0	0	0	112.1	L33 Y37 V40 E42 R49 H88 P91 Y97	L33-L47 HydrophobicContact CB-CD1 4Å; L33-L47 HydrophobicContact CD1-CD1 4.08Å; L33-L47 HydrophobicContact CD2-CD1 4.19Å; L33-L47 HydrophobicContact CG-CD1 4.31Å; Y37-L47 HydrophobicContact CD2-CD1 3.85Å; Y37-L47 HydrophobicContact CD2-CD2 4.07Å; V40-L47 HydrophobicContact CG1-CD1 4.46Å; V40-L47 HydrophobicContact CG1-CD2 4.2Å; V40-L47 HydrophobicContact CG1-CG 4.07Å; V40-L47 HydrophobicContact CG2-CD2 4.44Å; E42-L47 HydrophobicContact CG-CD1 4.06Å; E42-L47 HydrophobicContact CG-CG 4.08Å; E42-L47 WeakPolarHBondContact OE2-CB 3.44Å; E42-L47 PolarHBondContact OE2-N 3.38Å; L47-R49 HydrophobicContact CB-CG 4.49Å; L47-R49 PolarHBondContact O-N 2.9Å; L47-H88 PolarHBondContact O-ND1 3.37Å; L47-P91 HydrophobicContact CD2-CG 4.01Å; L47-Y97 HydrophobicContact CD2-CE2 4.45Å
48	P	98.3	Very high	96.7	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-64	118.6	163.9	22.4	-28.5	0	0	0	109.7	A86 Y97 P196	P48-A86 HydrophobicContact CB-CB 3.59Å; P48-Y97 HydrophobicContact CG-CE1 4.45Å; P48-Y97 HydrophobicContact CG-CE2 4.07Å; P48-P196 HydrophobicContact CB-CG 4.16Å; P48-P196 HydrophobicContact CG-CG 4.08Å
49	R	98	Very high	96.9	Very high	47 Å²	47	56.6 Å²	56.6	18%	0.177	30%	0.3	C	S	.	.			trans	-121.2	-17.8	-175.1	-73.5	162.4	169.6	-102.8	4.1	113.5	N30 L33 E42 L47 F211 Q213	N30-R49 VanDerWaalsContact OD1-CZ 3.26Å; N30-R49 PolarHBondContact OD1-NH1 3.2Å; N30-R49 PolarHBondContact OD1-NH2 3.43Å; L33-R49 HydrophobicContact CD1-CG 4.08Å; L33-R49 VanDerWaalsContact CD1-CZ 3.5Å; E42-R49 IonicContact OE1-CZ 2.82Å; E42-R49 IonicContact OE1-NH2 3.24Å; E42-R49 PolarHBondContact OE1-NH2 2.95Å; E42-R49 IonicContact OE2-CZ 3.17Å; E42-R49 VanDerWaalsContact OE2-CZ 3.31Å; E42-R49 IonicContact OE2-NE 3.76Å; E42-R49 PolarHBondContact OE2-NE 3.37Å; E42-R49 IonicContact OE2-NH2 2.66Å; E42-R49 PolarHBondContact OE2-NH2 3.38Å; L47-R49 HydrophobicContact CB-CG 4.49Å; L47-R49 PolarHBondContact O-N 2.9Å; R49-F211 WeakPolarHBondContact O-CD2 3.3Å; R49-Q213 PolarHBondContact O-NE2 3.43Å
50	S	98.6	Very high	97.2	Very high	23 Å²	23	54.3 Å²	54.3	16%	0.161	28%	0.281	C	S	.	.	S	Bend	trans	-158.7	173.3	174.4	61.8	0	0	0	0	111.4	A86 T87	S50-A86 CarbonylContact O-C 3.57Å; S50-A86 WeakPolarHBondContact O-CA 3.44Å; S50-T87 PolarHBondContact O-N 2.98Å
51	W	98.9	Very high	97.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	141.2	173.2	-62.9	116.3	0	0	0	111.8	P53 L62 N66 L67 V69 V84 F99 V101 P196 V198 A209 F211	W51-P53 VanDerWaalsContact O-CD 3.29Å; W51-P53 WeakPolarHBondContact O-CD 3.41Å; W51-L62 HydrophobicContact CB-CD1 3.96Å; W51-L62 HydrophobicContact CB-CD2 3.76Å; W51-L62 HydrophobicContact CG-CD2 4.26Å; W51-N66 VanDerWaalsContact CB-O 3.26Å; W51-N66 WeakPolarHBondContact CB-O 3.41Å; W51-N66 PolarHBondContact N-O 2.98Å; W51-N66 WeakPolarHBondContact O-CB 3.22Å; W51-L67 VanDerWaalsContact CD1-O 3.3Å; W51-L67 PolarHBondContact NE1-O 3.37Å; W51-V69 HydrophobicContact CD2-CG2 4.11Å; W51-V69 HydrophobicContact CG-CG2 3.89Å; W51-V84 HydrophobicContact CB-CG2 3.8Å; W51-V84 HydrophobicContact CD2-CG1 4.08Å; W51-V84 HydrophobicContact CD2-CG2 4.45Å; W51-V84 HydrophobicContact CE3-CG1 3.95Å; W51-V84 HydrophobicContact CE3-CG2 4.1Å; W51-V84 HydrophobicContact CG-CG1 4.35Å; W51-V84 HydrophobicContact CG-CG2 4.36Å; W51-F99 HydrophobicContact CH2-CE2 4.39Å; W51-V101 HydrophobicContact CZ2-CG2 4.49Å; W51-P196 HydrophobicContact CH2-CB 4.46Å; W51-P196 HydrophobicContact CZ3-CB 4.44Å; W51-P196 WeakPolarHBondContact CZ3-O 3.28Å; W51-V198 HydrophobicContact CH2-CB 3.95Å; W51-V198 HydrophobicContact CH2-CG2 3.55Å; W51-V198 HydrophobicContact CZ2-CB 4.04Å; W51-V198 HydrophobicContact CZ2-CG2 3.52Å; W51-A209 HydrophobicContact CZ2-CB 3.63Å; W51-F211 HydrophobicContact CD2-CE2 4.33Å; W51-F211 AromaticContact CD2-CZ 3.97Å; W51-F211 HydrophobicContact CD2-CZ 3.97Å; W51-F211 AromaticContact CE2-CZ 3.76Å; W51-F211 HydrophobicContact CE3-CZ 4.11Å; W51-F211 HydrophobicContact CH2-CE1 4.41Å; W51-F211 AromaticContact CH2-CZ 3.86Å; W51-F211 HydrophobicContact CH2-CZ 3.86Å; W51-F211 HydrophobicContact CZ2-CE2 4.45Å; W51-F211 AromaticContact CZ2-CZ 3.73Å; W51-F211 HydrophobicContact CZ2-CZ 3.73Å; W51-F211 HydrophobicContact CZ3-CZ 4.06Å
52	S	98.6	Very high	97.6	Very high	14 Å²	14	52.1 Å²	52.1	10%	0.098	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	118.9	-177.7	-172.3	0	0	0	0	111.2	K54 D55 R85	S52-K54 PolarHBondContact O-N 3.37Å; S52-K54 PolarHBondContact OG-N 2.89Å; S52-D55 WeakPolarHBondContact OG-CB 3.45Å; S52-D55 PolarHBondContact OG-N 2.88Å; S52-R85 VanDerWaalsContact CB-O 3.23Å; S52-R85 WeakPolarHBondContact CB-O 3.31Å; S52-R85 PolarHBondContact N-O 2.99Å
53	P	98.3	Very high	97.8	Very high	64 Å²	64	51.8 Å²	51.8	42%	0.416	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	-16.5	172.9	29.1	-34.9	0	0	0	112.3	W51 K56 L62	W51-P53 VanDerWaalsContact O-CD 3.29Å; W51-P53 WeakPolarHBondContact O-CD 3.41Å; P53-K56 PolarHBondContact O-NZ 2.98Å; P53-L62 HydrophobicContact CB-CD1 4.43Å
54	K	97.9	Very high	97.9	Very high	196 Å²	196	49.4 Å²	49.4	85%	0.852	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	-44.1	178.5	-62.2	178.4	-177.3	175.6	0	112.3	S52 K56	S52-K54 PolarHBondContact O-N 3.37Å; S52-K54 PolarHBondContact OG-N 2.89Å; K54-K56 PolarHBondContact O-N 3.35Å
55	D	98.3	Very high	98	Very high	44 Å²	44	50.3 Å²	50.3	24%	0.235	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	72.1	-170.6	-162.3	5.3	0	0	0	112	S52 R85	S52-D55 WeakPolarHBondContact OG-CB 3.45Å; S52-D55 PolarHBondContact OG-N 2.88Å; D55-R85 PolarHBondContact O-N 2.98Å; D55-R85 VanDerWaalsContact O-N 3.09Å; D55-R85 IonicContact OD1-CZ 2.65Å; D55-R85 IonicContact OD1-NE 3.24Å; D55-R85 IonicContact OD1-NH2 2.71Å; D55-R85 PolarHBondContact OD1-NH2 2.98Å; D55-R85 IonicContact OD2-CZ 3.92Å; D55-R85 IonicContact OD2-NE 2.69Å; D55-R85 PolarHBondContact OD2-NE 3.18Å; D55-R85 IonicContact OD2-NH2 3.9Å; D55-R85 PolarHBondContact OD2-NH2 3.33Å
56	K	98.6	Very high	98.2	Very high	65 Å²	65	50 Å²	50	28%	0.283	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	158.2	-179.2	72.1	-170.9	-167.1	-49.6	0	111	P53 K54 I60 L62 S83 V84	P53-K56 PolarHBondContact O-NZ 2.98Å; K54-K56 PolarHBondContact O-N 3.35Å; K56-I60 HydrophobicContact CB-CB 4.38Å; K56-I60 HydrophobicContact CD-CB 4.24Å; K56-I60 HydrophobicContact CD-CG2 4.03Å; K56-I60 WeakPolarHBondContact CE-O 3.5Å; K56-I60 HydrophobicContact CG-CB 4.48Å; K56-L62 HydrophobicContact CD-CD1 3.98Å; K56-L62 HydrophobicContact CD-CG 4.13Å; K56-S83 CarbonylContact C-O 3.56Å; K56-S83 WeakPolarHBondContact CA-O 3.44Å; K56-V84 HydrophobicContact CB-CB 3.63Å; K56-V84 HydrophobicContact CB-CG2 3.66Å
57	F	98.6	Very high	98.3	Very high	58 Å²	58	49.1 Å²	49.1	25%	0.254	25%	0.253	S	S	.	.			trans	-76	157.9	171	-166.2	-107.4	0	0	0	113	Y59 I60 A82 S83 M123 N124	F57-Y59 VanDerWaalsContact C-N 3.27Å; F57-Y59 HydrophobicContact CD1-CD2 4.1Å; F57-Y59 HydrophobicContact CD1-CG 4.09Å; F57-Y59 HydrophobicContact CE1-CD1 4.37Å; F57-Y59 AromaticContact CE1-CD2 3.74Å; F57-Y59 HydrophobicContact CE1-CD2 3.74Å; F57-Y59 HydrophobicContact CE1-CE2 4.12Å; F57-Y59 AromaticContact CE1-CG 3.9Å; F57-Y59 HydrophobicContact CE1-CG 3.9Å; F57-Y59 PolarHBondContact O-N 3.3Å; F57-I60 PolarHBondContact O-N 3.27Å; F57-A82 HydrophobicContact CB-CB 4.1Å; F57-A82 HydrophobicContact CD1-CB 3.87Å; F57-A82 HydrophobicContact CG-CB 4.44Å; F57-S83 PolarHBondContact N-O 2.89Å; F57-M123 HydrophobicContact CB-CB 3.93Å; F57-M123 WeakPolarHBondContact CB-O 3.33Å; F57-N124 HydrophobicContact CD1-CB 4.43Å; F57-N124 WeakPolarHBondContact CD1-OD1 3.47Å; F57-N124 HydrophobicContact CD2-CB 3.8Å; F57-N124 HydrophobicContact CE1-CB 4.43Å; F57-N124 WeakPolarHBondContact CE1-OD1 3.18Å; F57-N124 HydrophobicContact CE2-CB 3.8Å; F57-N124 HydrophobicContact CG-CB 4.14Å; F57-N124 HydrophobicContact CZ-CB 4.13Å; F57-N124 WeakPolarHBondContact CZ-OD1 3.38Å
58	S	98.3	Very high	98.3	Very high	75 Å²	75	52 Å²	52	52%	0.524	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-30.4	-171.6	61.4	0	0	0	0	114	I60 K72	S58-I60 VanDerWaalsContact C-N 3.26Å; S58-I60 PolarHBondContact O-N 3.1Å; S58-K72 WeakPolarHBondContact O-CE 3.14Å; S58-K72 PolarHBondContact O-NZ 3.38Å
59	Y	98.6	Very high	98.3	Very high	59 Å²	59	52 Å²	52	23%	0.231	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-2.6	176.3	-63.1	-22	0	0	0	114.7	F57 Y71 K72 G73 D80	F57-Y59 VanDerWaalsContact C-N 3.27Å; F57-Y59 HydrophobicContact CD1-CD2 4.1Å; F57-Y59 HydrophobicContact CD1-CG 4.09Å; F57-Y59 HydrophobicContact CE1-CD1 4.37Å; F57-Y59 AromaticContact CE1-CD2 3.74Å; F57-Y59 HydrophobicContact CE1-CD2 3.74Å; F57-Y59 HydrophobicContact CE1-CE2 4.12Å; F57-Y59 AromaticContact CE1-CG 3.9Å; F57-Y59 HydrophobicContact CE1-CG 3.9Å; F57-Y59 PolarHBondContact O-N 3.3Å; Y59-Y71 HydrophobicContact CD2-CE2 4.42Å; Y59-K72 WeakPolarHBondContact O-CG 3.43Å; Y59-K72 PolarHBondContact O-N 2.76Å; Y59-G73 VanDerWaalsContact CG-CA 3.49Å; Y59-D80 WeakPolarHBondContact CD2-O 3.35Å; Y59-D80 HydrophobicContact CE2-CB 4.19Å
60	I	98.8	Very high	98.3	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	127.4	168.9	-64.4	-53.6	0	0	0	110.7	K56 F57 S58 L62 V69 K72 A82 V84 L200	K56-I60 HydrophobicContact CB-CB 4.38Å; K56-I60 HydrophobicContact CD-CB 4.24Å; K56-I60 HydrophobicContact CD-CG2 4.03Å; K56-I60 WeakPolarHBondContact CE-O 3.5Å; K56-I60 HydrophobicContact CG-CB 4.48Å; F57-I60 PolarHBondContact O-N 3.27Å; S58-I60 VanDerWaalsContact C-N 3.26Å; S58-I60 PolarHBondContact O-N 3.1Å; I60-L62 HydrophobicContact CG2-CD2 3.86Å; I60-L62 HydrophobicContact CG2-CG 4.28Å; I60-V69 HydrophobicContact CD1-CG1 3.97Å; I60-V69 HydrophobicContact CG2-CG1 3.68Å; I60-K72 VanDerWaalsContact C-CE 3.48Å; I60-K72 VanDerWaalsContact O-CE 3.24Å; I60-K72 WeakPolarHBondContact O-CE 3.48Å; I60-K72 PolarHBondContact O-NZ 3.28Å; I60-K72 VanDerWaalsContact O-NZ 3.17Å; I60-A82 HydrophobicContact CD1-CB 3.96Å; I60-A82 WeakPolarHBondContact CD1-O 3.45Å; I60-A82 HydrophobicContact CG1-CB 4Å; I60-V84 HydrophobicContact CG2-CB 4.25Å; I60-V84 HydrophobicContact CG2-CG1 4.24Å; I60-L200 HydrophobicContact CD1-CB 4.36Å; I60-L200 HydrophobicContact CD1-CD1 4.29Å; I60-L200 HydrophobicContact CD1-CG 4.4Å
61	G	98.7	Very high	98.3	Very high	5 Å²	5	52.1 Å²	52.1	5%	0.052	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	148	159.7	0	0	0	0	0	110.9	H70	G61-H70 VanDerWaalsContact C-CE1 3.41Å; G61-H70 WeakPolarHBondContact CA-NE2 3.47Å; G61-H70 PolarHBondContact N-O 2.97Å; G61-H70 PolarHBondContact O-N 2.99Å; G61-H70 PolarHBondContact O-ND1 3.27Å
62	L	98.8	Very high	98.3	Very high	32 Å²	32	57.9 Å²	57.9	17%	0.168	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	148.6	175.5	-62.2	179.7	0	0	0	109.5	W51 P53 K56 I60 N66 R68 V69	W51-L62 HydrophobicContact CB-CD1 3.96Å; W51-L62 HydrophobicContact CB-CD2 3.76Å; W51-L62 HydrophobicContact CG-CD2 4.26Å; P53-L62 HydrophobicContact CB-CD1 4.43Å; K56-L62 HydrophobicContact CD-CD1 3.98Å; K56-L62 HydrophobicContact CD-CG 4.13Å; I60-L62 HydrophobicContact CG2-CD2 3.86Å; I60-L62 HydrophobicContact CG2-CG 4.28Å; L62-N66 HydrophobicContact CD1-CB 4.18Å; L62-R68 CarbonylContact C-O 3.55Å; L62-R68 WeakPolarHBondContact CA-O 3.47Å; L62-V69 HydrophobicContact CD2-CB 4.47Å; L62-V69 HydrophobicContact CD2-CG1 4.4Å; L62-V69 HydrophobicContact CD2-CG2 4.13Å
63	S	98.4	Very high	98.2	Very high	42 Å²	42	57.9 Å²	57.9	29%	0.294	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	-178.3	175.3	57.6	0	0	0	0	110	N66 L67 R68	S63-N66 WeakPolarHBondContact O-CA 3.45Å; S63-N66 PolarHBondContact O-N 2.83Å; S63-N66 VanDerWaalsContact O-N 3.17Å; S63-L67 PolarHBondContact O-N 3.41Å; S63-R68 PolarHBondContact N-O 2.72Å; S63-R68 PolarHBondContact O-N 3.49Å; S63-R68 VanDerWaalsContact O-N 3.09Å; S63-R68 WeakPolarHBondContact OG-CB 3.48Å; S63-R68 WeakPolarHBondContact OG-CG 3.3Å
64	Q	96.3	Very high	98.1	Very high	104 Å²	104	60.5 Å²	60.5	49%	0.486	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	67	-179.7	-62.3	-176.4	-23.6	0	0	112.3	N66 L67 R68	Q64-N66 PolarHBondContact O-N 3.08Å; Q64-N66 VanDerWaalsContact O-N 3.09Å; Q64-L67 WeakPolarHBondContact O-CB 3.39Å; Q64-L67 PolarHBondContact O-N 3.19Å; Q64-R68 HydrophobicContact CB-CB 4Å; Q64-R68 HydrophobicContact CG-CB 4.17Å; Q64-R68 VanDerWaalsContact OE1-NE 3.07Å
65	N	96.1	Very high	98	Very high	117 Å²	117	51.3 Å²	51.3	63%	0.626	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	30.5	-178.9	-57.6	-13.3	0	0	0	114.3	L67	N65-L67 VanDerWaalsContact C-N 3.34Å
66	N	98.4	Very high	97.7	Very high	53 Å²	53	57.4 Å²	57.4	28%	0.283	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	30.6	-172.9	-53.4	-47.5	0	0	0	114.5	W51 L62 S63 Q64	W51-N66 VanDerWaalsContact CB-O 3.26Å; W51-N66 WeakPolarHBondContact CB-O 3.41Å; W51-N66 PolarHBondContact N-O 2.98Å; W51-N66 WeakPolarHBondContact O-CB 3.22Å; L62-N66 HydrophobicContact CD1-CB 4.18Å; S63-N66 WeakPolarHBondContact O-CA 3.45Å; S63-N66 PolarHBondContact O-N 2.83Å; S63-N66 VanDerWaalsContact O-N 3.17Å; Q64-N66 PolarHBondContact O-N 3.08Å; Q64-N66 VanDerWaalsContact O-N 3.09Å
67	L	98.5	Very high	97.5	Very high	30 Å²	30	57.3 Å²	57.3	16%	0.157	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-31.6	171.5	-59.2	175	0	0	0	112.4	W51 S63 Q64 N65 A209 F211 Q213	W51-L67 VanDerWaalsContact CD1-O 3.3Å; W51-L67 PolarHBondContact NE1-O 3.37Å; S63-L67 PolarHBondContact O-N 3.41Å; Q64-L67 WeakPolarHBondContact O-CB 3.39Å; Q64-L67 PolarHBondContact O-N 3.19Å; N65-L67 VanDerWaalsContact C-N 3.34Å; L67-A209 PolarHBondContact O-N 3.02Å; L67-F211 HydrophobicContact CD2-CD2 3.91Å; L67-F211 HydrophobicContact CD2-CE2 4.27Å; L67-Q213 HydrophobicContact CD1-CG 3.93Å
68	R	98.9	Very high	97	Very high	63 Å²	63	58.5 Å²	58.5	24%	0.238	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	120.6	177.5	178.3	166.4	-68.4	-165.5	-0.6	111.8	L62 S63 Q64 V206 V207 D208	L62-R68 CarbonylContact C-O 3.55Å; L62-R68 WeakPolarHBondContact CA-O 3.47Å; S63-R68 PolarHBondContact N-O 2.72Å; S63-R68 PolarHBondContact O-N 3.49Å; S63-R68 VanDerWaalsContact O-N 3.09Å; S63-R68 WeakPolarHBondContact OG-CB 3.48Å; S63-R68 WeakPolarHBondContact OG-CG 3.3Å; Q64-R68 HydrophobicContact CB-CB 4Å; Q64-R68 HydrophobicContact CG-CB 4.17Å; Q64-R68 VanDerWaalsContact OE1-NE 3.07Å; R68-V206 HydrophobicContact CG-CG1 3.84Å; R68-V207 WeakPolarHBondContact CA-O 3.14Å; R68-D208 WeakPolarHBondContact CA-OD1 3.37Å; R68-D208 WeakPolarHBondContact CB-OD1 3.48Å; R68-D208 WeakPolarHBondContact CG-OD1 3.42Å; R68-D208 IonicContact CZ-OD1 3.92Å; R68-D208 IonicContact CZ-OD2 2.74Å; R68-D208 IonicContact NE-OD1 3.59Å; R68-D208 PolarHBondContact NE-OD1 3.2Å; R68-D208 IonicContact NE-OD2 3.91Å; R68-D208 IonicContact NH2-OD1 2.81Å; R68-D208 PolarHBondContact NH2-OD1 3.39Å; R68-D208 IonicContact NH2-OD2 2.68Å; R68-D208 PolarHBondContact NH2-OD2 2.79Å
69	V	98.9	Very high	96.7	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	136.1	172.8	-166.3	0	0	0	0	109	W51 I60 L62 V84 V198 L200 V206 V207	W51-V69 HydrophobicContact CD2-CG2 4.11Å; W51-V69 HydrophobicContact CG-CG2 3.89Å; I60-V69 HydrophobicContact CD1-CG1 3.97Å; I60-V69 HydrophobicContact CG2-CG1 3.68Å; L62-V69 HydrophobicContact CD2-CB 4.47Å; L62-V69 HydrophobicContact CD2-CG1 4.4Å; L62-V69 HydrophobicContact CD2-CG2 4.13Å; V69-V84 HydrophobicContact CG1-CG1 3.93Å; V69-V84 HydrophobicContact CG2-CG1 4.03Å; V69-V198 HydrophobicContact CG1-CG1 4.46Å; V69-L200 HydrophobicContact CB-CD1 4.31Å; V69-L200 HydrophobicContact CG1-CD1 3.73Å; V69-L200 HydrophobicContact CG1-CG 4.42Å; V69-V206 WeakPolarHBondContact O-CA 3.43Å; V69-V207 HydrophobicContact CB-CG2 3.99Å; V69-V207 HydrophobicContact CG2-CG2 4.23Å; V69-V207 PolarHBondContact N-O 3.21Å; V69-V207 PolarHBondContact O-N 3.48Å
70	H	98.7	Very high	96.6	Very high	62 Å²	62	61.2 Å²	61.2	29%	0.287	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	141.8	171.1	58.9	-89.5	0	0	0	112.1	G61 E205 V206	G61-H70 VanDerWaalsContact C-CE1 3.41Å; G61-H70 WeakPolarHBondContact CA-NE2 3.47Å; G61-H70 PolarHBondContact N-O 2.97Å; G61-H70 PolarHBondContact O-N 2.99Å; G61-H70 PolarHBondContact O-ND1 3.27Å; H70-E205 WeakPolarHBondContact CA-O 3.32Å; H70-V206 HydrophobicContact CB-CG1 4.39Å; H70-V206 HydrophobicContact CB-CG2 3.98Å
71	Y	98.8	Very high	96.6	Very high	12 Å²	12	61.2 Å²	61.2	5%	0.047	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	131.5	177.3	-172.2	-94.4	0	0	0	111.6	Y59 G73 G75 D80 A82 L200 Q201 T202 E205	Y59-Y71 HydrophobicContact CD2-CE2 4.42Å; Y71-G73 VanDerWaalsContact CE1-CA 3.4Å; Y71-G73 VanDerWaalsContact CE1-N 3.27Å; Y71-G73 VanDerWaalsContact CE1-O 3.31Å; Y71-G73 WeakPolarHBondContact CE1-O 3.44Å; Y71-G73 VanDerWaalsContact CZ-CA 3.48Å; Y71-G73 WeakPolarHBondContact OH-CA 3.35Å; Y71-G75 PolarHBondContact OH-N 2.88Å; Y71-D80 VanDerWaalsContact CE2-O 3.31Å; Y71-D80 WeakPolarHBondContact CE2-O 3.39Å; Y71-D80 WeakPolarHBondContact OH-CB 3.31Å; Y71-D80 PolarHBondContact OH-O 3.01Å; Y71-A82 HydrophobicContact CD2-CB 4.34Å; Y71-A82 HydrophobicContact CE2-CB 4.01Å; Y71-L200 HydrophobicContact CD2-CB 3.94Å; Y71-L200 HydrophobicContact CG-CB 4.31Å; Y71-Q201 WeakPolarHBondContact CE1-O 3.46Å; Y71-Q201 PolarHBondContact OH-O 2.82Å; Y71-T202 VanDerWaalsContact CD1-O 3.23Å; Y71-T202 WeakPolarHBondContact CD1-O 3.23Å; Y71-E205 PolarHBondContact N-O 3.1Å
72	K	98	Very high	96.6	Very high	121 Å²	121	61 Å²	61	53%	0.526	30%	0.303	S	S	.	.			trans	-134.2	20.1	179.7	59.7	167.7	-173.1	-167.8	0	113.2	S58 Y59 I60	S58-K72 WeakPolarHBondContact O-CE 3.14Å; S58-K72 PolarHBondContact O-NZ 3.38Å; Y59-K72 WeakPolarHBondContact O-CG 3.43Å; Y59-K72 PolarHBondContact O-N 2.76Å; I60-K72 VanDerWaalsContact C-CE 3.48Å; I60-K72 VanDerWaalsContact O-CE 3.24Å; I60-K72 WeakPolarHBondContact O-CE 3.48Å; I60-K72 PolarHBondContact O-NZ 3.28Å; I60-K72 VanDerWaalsContact O-NZ 3.17Å
73	G	97.1	Very high	96.6	Very high	14 Å²	14	59.5 Å²	59.5	14%	0.144	30%	0.295	C	S	.	.	S	Bend	trans	-86.6	-169.6	171.4	0	0	0	0	0	112.5	Y59 Y71	Y59-G73 VanDerWaalsContact CG-CA 3.49Å; Y71-G73 VanDerWaalsContact CE1-CA 3.4Å; Y71-G73 VanDerWaalsContact CE1-N 3.27Å; Y71-G73 VanDerWaalsContact CE1-O 3.31Å; Y71-G73 WeakPolarHBondContact CE1-O 3.44Å; Y71-G73 VanDerWaalsContact CZ-CA 3.48Å; Y71-G73 WeakPolarHBondContact OH-CA 3.35Å
74	H	95.8	Very high	96.6	Very high	119 Å²	119	57.5 Å²	57.5	55%	0.551	28%	0.281	S	S	*	.			trans	-85.2	-27.7	-179.4	-65.2	102	0	0	0	114	K76	H74-K76 HydrophobicContact CB-CG 4.38Å; H74-K76 PolarHBondContact O-N 2.88Å
75	G	95	Very high	96.8	Very high	2 Å²	2	52.8 Å²	52.8	2%	0.021	26%	0.259	C	S	.	.			trans	47.9	54.5	-178.8	0	0	0	0	0	114.3	Y71 R108 Q201	Y71-G75 PolarHBondContact OH-N 2.88Å; G75-R108 PolarHBondContact O-NH1 3.28Å; G75-R108 VanDerWaalsContact O-NH1 3.11Å; G75-R108 PolarHBondContact O-NH2 2.88Å; G75-Q201 WeakPolarHBondContact CA-O 3.49Å
76	K	92.7	Very high	96.9	Very high	172 Å²	172	47.3 Å²	47.3	75%	0.748	23%	0.229	S	C	*	.	S	Bend	trans	-101.8	-24.5	177.4	-70.8	-177.1	177.3	179.5	0	112.6	H74 D80	H74-K76 HydrophobicContact CB-CG 4.38Å; H74-K76 PolarHBondContact O-N 2.88Å; K76-D80 PolarHBondContact N-OD2 3.16Å
77	T	93.9	Very high	96.9	Very high	64 Å²	64	46.9 Å²	46.9	39%	0.393	23%	0.229	S	C	.	.	S	Bend	trans	-147	164.4	-174.9	67.3	0	0	0	0	111.2	K79 D80	T77-K79 PolarHBondContact O-N 3.34Å; T77-K79 PolarHBondContact OG1-N 2.89Å; T77-D80 PolarHBondContact N-OD2 3.48Å; T77-D80 WeakPolarHBondContact O-CB 3.4Å; T77-D80 PolarHBondContact O-N 2.71Å; T77-D80 PolarHBondContact OG1-OD2 3.09Å
78	P	88.4	Confident	96.9	Very high	83 Å²	83	48.5 Å²	48.5	54%	0.539	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-60.4	-8.7	169.9	-26	36.2	0	0	0	115.6	D80 W129	P78-D80 VanDerWaalsContact C-N 3.31Å; P78-W129 HydrophobicContact CB-CH2 4.1Å; P78-W129 HydrophobicContact CB-CZ3 4.35Å
79	K	92.9	Very high	96.9	Very high	170 Å²	170	47.2 Å²	47.2	74%	0.739	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-82.4	-10.3	171.8	-60.5	-176.4	179.8	-179.6	0	112.9	T77 N124	T77-K79 PolarHBondContact O-N 3.34Å; T77-K79 PolarHBondContact OG1-N 2.89Å; K79-N124 PolarHBondContact O-ND2 2.97Å
80	D	96.6	Very high	96.9	Very high	21 Å²	21	47.4 Å²	47.4	11%	0.112	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-92.4	3.1	176.1	-58.6	-70.3	0	0	0	112.8	Y59 Y71 K76 T77 P78	Y59-D80 WeakPolarHBondContact CD2-O 3.35Å; Y59-D80 HydrophobicContact CE2-CB 4.19Å; Y71-D80 VanDerWaalsContact CE2-O 3.31Å; Y71-D80 WeakPolarHBondContact CE2-O 3.39Å; Y71-D80 WeakPolarHBondContact OH-CB 3.31Å; Y71-D80 PolarHBondContact OH-O 3.01Å; K76-D80 PolarHBondContact N-OD2 3.16Å; T77-D80 PolarHBondContact N-OD2 3.48Å; T77-D80 WeakPolarHBondContact O-CB 3.4Å; T77-D80 PolarHBondContact O-N 2.71Å; T77-D80 PolarHBondContact OG1-OD2 3.09Å; P78-D80 VanDerWaalsContact C-N 3.31Å
81	A	98	Very high	96.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.225	C	C	.	.			trans	-61	138.7	174.5	0	0	0	0	0	112.1	N124 R125 L126 W129 Q201	A81-N124 CarbonylContact O-C 3.08Å; A81-N124 VanDerWaalsContact O-CA 3.22Å; A81-N124 WeakPolarHBondContact O-CA 3.44Å; A81-R125 PolarHBondContact O-N 3.14Å; A81-L126 HydrophobicContact CB-CD2 4.19Å; A81-L126 HydrophobicContact CB-CG 4.05Å; A81-W129 HydrophobicContact CB-CH2 4.44Å; A81-W129 HydrophobicContact CB-CZ3 3.88Å; A81-Q201 HydrophobicContact CB-CB 4.41Å; A81-Q201 HydrophobicContact CB-CG 4.39Å
82	A	98.7	Very high	96.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	129.7	-172.9	0	0	0	0	0	111.7	F57 I60 Y71 M123 G199 L200	F57-A82 HydrophobicContact CB-CB 4.1Å; F57-A82 HydrophobicContact CD1-CB 3.87Å; F57-A82 HydrophobicContact CG-CB 4.44Å; I60-A82 HydrophobicContact CD1-CB 3.96Å; I60-A82 WeakPolarHBondContact CD1-O 3.45Å; I60-A82 HydrophobicContact CG1-CB 4Å; Y71-A82 HydrophobicContact CD2-CB 4.34Å; Y71-A82 HydrophobicContact CE2-CB 4.01Å; A82-M123 CarbonylContact C-O 3.53Å; A82-M123 WeakPolarHBondContact CA-O 3.38Å; A82-G199 CarbonylContact O-C 3.47Å; A82-G199 VanDerWaalsContact O-CA 3.24Å; A82-G199 WeakPolarHBondContact O-CA 3.44Å; A82-L200 PolarHBondContact N-O 2.95Å; A82-L200 PolarHBondContact O-N 3.17Å; A82-L200 VanDerWaalsContact O-O 3.12Å
83	S	98.9	Very high	96.6	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.007	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	163.7	-178.9	-73.5	0	0	0	0	113.9	K56 F57 M123 R125 V198 G199	K56-S83 CarbonylContact C-O 3.56Å; K56-S83 WeakPolarHBondContact CA-O 3.44Å; F57-S83 PolarHBondContact N-O 2.89Å; S83-M123 PolarHBondContact N-O 2.91Å; S83-R125 WeakPolarHBondContact CB-O 3.37Å; S83-R125 PolarHBondContact OG-O 2.86Å; S83-V198 CarbonylContact C-O 3.59Å; S83-V198 WeakPolarHBondContact CA-O 3.42Å; S83-V198 WeakPolarHBondContact CB-O 3.34Å; S83-G199 VanDerWaalsContact OG-CA 3.26Å; S83-G199 WeakPolarHBondContact OG-CA 3.45Å
84	V	98.9	Very high	96.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	136.2	171.3	54.2	0	0	0	0	110.2	W51 K56 I60 V69 T197 V198	W51-V84 HydrophobicContact CB-CG2 3.8Å; W51-V84 HydrophobicContact CD2-CG1 4.08Å; W51-V84 HydrophobicContact CD2-CG2 4.45Å; W51-V84 HydrophobicContact CE3-CG1 3.95Å; W51-V84 HydrophobicContact CE3-CG2 4.1Å; W51-V84 HydrophobicContact CG-CG1 4.35Å; W51-V84 HydrophobicContact CG-CG2 4.36Å; K56-V84 HydrophobicContact CB-CB 3.63Å; K56-V84 HydrophobicContact CB-CG2 3.66Å; I60-V84 HydrophobicContact CG2-CB 4.25Å; I60-V84 HydrophobicContact CG2-CG1 4.24Å; V69-V84 HydrophobicContact CG1-CG1 3.93Å; V69-V84 HydrophobicContact CG2-CG1 4.03Å; V84-T197 WeakPolarHBondContact O-CA 3.25Å; V84-T197 WeakPolarHBondContact O-CG2 3.2Å; V84-V198 PolarHBondContact N-O 2.77Å; V84-V198 PolarHBondContact O-N 3.41Å; V84-V198 VanDerWaalsContact O-N 3.14Å
85	R	98.9	Very high	96.7	Very high	5 Å²	5	33.1 Å²	33.1	2%	0.019	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	156.1	168.3	-84.2	-175.7	-74.5	-90.6	-7.7	111	S52 D55 S117 A118 V121 M123 Y195 P196 T197	S52-R85 VanDerWaalsContact CB-O 3.23Å; S52-R85 WeakPolarHBondContact CB-O 3.31Å; S52-R85 PolarHBondContact N-O 2.99Å; D55-R85 PolarHBondContact O-N 2.98Å; D55-R85 VanDerWaalsContact O-N 3.09Å; D55-R85 IonicContact OD1-CZ 2.65Å; D55-R85 IonicContact OD1-NE 3.24Å; D55-R85 IonicContact OD1-NH2 2.71Å; D55-R85 PolarHBondContact OD1-NH2 2.98Å; D55-R85 IonicContact OD2-CZ 3.92Å; D55-R85 IonicContact OD2-NE 2.69Å; D55-R85 PolarHBondContact OD2-NE 3.18Å; D55-R85 IonicContact OD2-NH2 3.9Å; D55-R85 PolarHBondContact OD2-NH2 3.33Å; R85-S117 WeakPolarHBondContact CD-OG 3.45Å; R85-S117 WeakPolarHBondContact CG-OG 3.44Å; R85-S117 PolarHBondContact NH1-OG 3.5Å; R85-A118 PolarHBondContact NH1-O 2.88Å; R85-V121 PolarHBondContact NH1-O 2.82Å; R85-V121 PolarHBondContact NH2-O 3.24Å; R85-M123 HydrophobicContact CG-SD 4.15Å; R85-M123 VanDerWaalsContact NH1-CE 3.31Å; R85-Y195 HydrophobicContact CB-CD1 4.11Å; R85-Y195 HydrophobicContact CB-CG 4.3Å; R85-Y195 HydrophobicContact CG-CD1 4.5Å; R85-Y195 HydrophobicContact CG-CG 4.2Å; R85-P196 WeakPolarHBondContact CA-O 3.37Å; R85-T197 HydrophobicContact CG-CG2 4.32Å
86	A	98.8	Very high	96.9	Very high	1 Å²	1	33 Å²	33	1%	0.008	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	171.5	166.9	0	0	0	0	0	112.1	P48 S50 H88 Y195 P196 F211	P48-A86 HydrophobicContact CB-CB 3.59Å; S50-A86 CarbonylContact O-C 3.57Å; S50-A86 WeakPolarHBondContact O-CA 3.44Å; A86-H88 VanDerWaalsContact C-N 3.28Å; A86-H88 PolarHBondContact O-N 3.16Å; A86-Y195 WeakPolarHBondContact O-CD1 3.39Å; A86-P196 HydrophobicContact CB-CB 4.08Å; A86-P196 HydrophobicContact CB-CG 4.12Å; A86-P196 PolarHBondContact N-O 2.69Å; A86-F211 HydrophobicContact CB-CE1 4.36Å; A86-F211 HydrophobicContact CB-CZ 4.27Å
87	T	98.4	Very high	97.1	Very high	44 Å²	44	24.9 Å²	24.9	27%	0.27	14%	0.136	S	C	.	.	S	Bend	trans	-62.3	-31.3	178.2	53.1	0	0	0	0	114.3	S50	S50-T87 PolarHBondContact O-N 2.98Å
88	H	98.6	Very high	97.4	Very high	65 Å²	65	21.8 Å²	21.8	30%	0.301	12%	0.118	S	C	.	.	S	Bend	trans	-138.8	155.6	-171	-56.4	126.5	0	0	0	111.1	P46 L47 A86 Y195	P46-H88 VanDerWaalsContact O-CB 3.29Å; P46-H88 WeakPolarHBondContact O-CB 3.45Å; L47-H88 PolarHBondContact O-ND1 3.37Å; A86-H88 VanDerWaalsContact C-N 3.28Å; A86-H88 PolarHBondContact O-N 3.16Å; H88-Y195 VanDerWaalsContact O-CD1 3.23Å; H88-Y195 WeakPolarHBondContact O-CD1 3.47Å
89	P	98.4	Very high	97.9	Very high	35 Å²	35	17.9 Å²	17.9	23%	0.227	9%	0.092	C	C	.	.	P	Polyproline II helix	trans	-70.8	164.6	168.5	32.5	-34.1	0	0	0	110.3	P91 N193 L194 Y195	P89-P91 VanDerWaalsContact O-CD 3.3Å; P89-P91 WeakPolarHBondContact O-CD 3.46Å; P89-N193 HydrophobicContact CB-CB 4.16Å; P89-N193 WeakPolarHBondContact CB-O 3.49Å; P89-L194 WeakPolarHBondContact CA-O 3.28Å; P89-Y195 HydrophobicContact CB-CD2 3.95Å; P89-Y195 HydrophobicContact CB-CE2 3.72Å; P89-Y195 HydrophobicContact CB-CG 4.43Å; P89-Y195 HydrophobicContact CG-CE2 4.3Å
90	I	98.6	Very high	98.2	Very high	5 Å²	5	10 Å²	10	3%	0.026	6%	0.058	C	C	.	.	P	Polyproline II helix	trans	-72.3	120.5	172.4	-60.3	167.6	0	0	0	109.3	Y97 L116 V167 L169 L194 P196	I90-Y97 HydrophobicContact CB-CG 4.44Å; I90-Y97 HydrophobicContact CD1-CD1 3.5Å; I90-Y97 HydrophobicContact CD1-CE1 4.09Å; I90-Y97 HydrophobicContact CD1-CG 4.14Å; I90-Y97 HydrophobicContact CG1-CD1 3.66Å; I90-Y97 HydrophobicContact CG1-CE1 4.03Å; I90-Y97 HydrophobicContact CG1-CG 4.02Å; I90-Y97 VanDerWaalsContact CG2-CB 3.42Å; I90-Y97 HydrophobicContact CG2-CD1 4.1Å; I90-Y97 HydrophobicContact CG2-CD2 4.11Å; I90-Y97 HydrophobicContact CG2-CG 3.59Å; I90-L116 HydrophobicContact CD1-CD2 3.97Å; I90-V167 HydrophobicContact CD1-CB 4.18Å; I90-V167 HydrophobicContact CD1-CG1 4.42Å; I90-V167 HydrophobicContact CD1-CG2 3.74Å; I90-L169 HydrophobicContact CG2-CD1 3.61Å; I90-L169 HydrophobicContact CG2-CD2 4.44Å; I90-L194 WeakPolarHBondContact CG1-O 3.47Å; I90-L194 PolarHBondContact N-O 3.3Å; I90-P196 HydrophobicContact CD1-CG 4.44Å; I90-P196 HydrophobicContact CG1-CG 4.27Å
91	P	97.6	Very high	98.3	Very high	6 Å²	6	9 Å²	9	4%	0.039	5%	0.053	C	C	.	.	P	Polyproline II helix	trans	-68.2	135.4	173.5	-20.6	34.3	0	0	0	111.9	V40 L47 P89 A93 C94 L169	V40-P91 HydrophobicContact CG1-CB 4.16Å; V40-P91 HydrophobicContact CG1-CG 4.02Å; V40-P91 HydrophobicContact CG2-CB 4.37Å; L47-P91 HydrophobicContact CD2-CG 4.01Å; P89-P91 VanDerWaalsContact O-CD 3.3Å; P89-P91 WeakPolarHBondContact O-CD 3.46Å; P91-A93 PolarHBondContact O-N 2.65Å; P91-A93 VanDerWaalsContact O-N 3.17Å; P91-C94 WeakPolarHBondContact O-CB 3.48Å; P91-C94 PolarHBondContact O-N 3.43Å; P91-C94 PolarHBondContact O-SG 3.45Å; P91-L169 VanDerWaalsContact O-CD1 3.3Å; P91-L169 WeakPolarHBondContact O-CD1 3.42Å
92	A	95.3	Very high	98.3	Very high	15 Å²	15	13.9 Å²	13.9	12%	0.124	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-56.6	-32.7	175.8	0	0	0	0	0	113.1	C94 G95 G589	A92-C94 PolarHBondContact O-N 3.28Å; A92-G95 PolarHBondContact O-N 3.01Å; A92-G589 WeakPolarHBondContact O-CA 3.44Å
93	A	96.3	Very high	98.3	Very high	6 Å²	6	14 Å²	14	5%	0.05	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-63.5	0	174.9	0	0	0	0	0	115.4	A39 V40 P91 G95 A584 A592	A39-A93 HydrophobicContact CB-CB 4.49Å; V40-A93 VanDerWaalsContact CG2-C 3.5Å; V40-A93 HydrophobicContact CG2-CB 3.92Å; V40-A93 WeakPolarHBondContact CG2-O 3.33Å; P91-A93 PolarHBondContact O-N 2.65Å; P91-A93 VanDerWaalsContact O-N 3.17Å; A93-G95 VanDerWaalsContact C-N 3.34Å; A93-A584 HydrophobicContact CB-CB 3.99Å; A93-A592 VanDerWaalsContact O-CB 3.23Å; A93-A592 WeakPolarHBondContact O-CB 3.47Å
94	C	98	Very high	98.3	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.007	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-71.5	-31.6	164.7	-56.5	0	0	0	0	111.7	Y37 P91 A92 V96 L169	Y37-C94 HydrophobicContact CD1-CB 3.72Å; Y37-C94 HydrophobicContact CE1-CB 4.14Å; Y37-C94 HydrophobicContact CG-CB 4.38Å; P91-C94 WeakPolarHBondContact O-CB 3.48Å; P91-C94 PolarHBondContact O-N 3.43Å; P91-C94 PolarHBondContact O-SG 3.45Å; A92-C94 PolarHBondContact O-N 3.28Å; C94-V96 CarbonylContact C-O 3.54Å; C94-V96 WeakPolarHBondContact CB-O 3.43Å; C94-V96 PolarHBondContact O-N 3.05Å; C94-V96 VanDerWaalsContact O-O 3.11Å; C94-L169 HydrophobicContact CB-CD1 4.05Å
95	G	97.6	Very high	98.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	70.1	-59.2	-169.8	0	0	0	0	0	112.6	A92 A93 L169 G589 A592	A92-G95 PolarHBondContact O-N 3.01Å; A93-G95 VanDerWaalsContact C-N 3.34Å; G95-L169 WeakPolarHBondContact O-CA 3.42Å; G95-L169 WeakPolarHBondContact O-CB 3.32Å; G95-L169 PolarHBondContact O-N 3.13Å; G95-G589 VanDerWaalsContact CA-O 3.28Å; G95-G589 WeakPolarHBondContact CA-O 3.43Å; G95-A592 VanDerWaalsContact N-CB 3.33Å
96	V	98.5	Very high	98.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	136.4	163.2	176.6	0	0	0	0	107.4	Y37 C94 C166 V167 N168 I220 Y223 M224 F593	Y37-V96 WeakPolarHBondContact CE1-O 3.34Å; C94-V96 CarbonylContact C-O 3.54Å; C94-V96 WeakPolarHBondContact CB-O 3.43Å; C94-V96 PolarHBondContact O-N 3.05Å; C94-V96 VanDerWaalsContact O-O 3.11Å; V96-C166 WeakPolarHBondContact CG1-SG 3.48Å; V96-V167 CarbonylContact C-O 3.6Å; V96-V167 WeakPolarHBondContact CA-O 3.26Å; V96-N168 HydrophobicContact CG2-CB 4.48Å; V96-I220 HydrophobicContact CG1-CD1 3.97Å; V96-Y223 HydrophobicContact CG1-CD1 4.01Å; V96-Y223 HydrophobicContact CG1-CE1 3.85Å; V96-Y223 HydrophobicContact CG2-CD1 4.45Å; V96-Y223 HydrophobicContact CG2-CE1 3.95Å; V96-M224 HydrophobicContact CB-CE 4.18Å; V96-M224 HydrophobicContact CB-CG 4.3Å; V96-M224 WeakPolarHBondContact O-CE 3.41Å; V96-F593 HydrophobicContact CB-CZ 4.23Å; V96-F593 HydrophobicContact CG2-CE2 3.97Å; V96-F593 HydrophobicContact CG2-CZ 4.01Å
97	Y	98.8	Very high	98.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	141.9	173.5	179	-92.8	0	0	0	110.7	Y37 L47 P48 I90 F99 C166 V167 P196 F211	Y37-Y97 AromaticContact CE1-CD2 3.98Å; Y37-Y97 HydrophobicContact CE1-CD2 3.98Å; Y37-Y97 AromaticContact CE2-CD2 3.95Å; Y37-Y97 HydrophobicContact CE2-CD2 3.95Å; Y37-Y97 AromaticContact CE2-CE2 3.91Å; Y37-Y97 HydrophobicContact CE2-CE2 3.91Å; Y37-Y97 AromaticContact CZ-CD2 3.52Å; Y37-Y97 AromaticContact CZ-CE2 3.84Å; Y37-Y97 WeakPolarHBondContact OH-CD2 3.17Å; L47-Y97 HydrophobicContact CD2-CE2 4.45Å; P48-Y97 HydrophobicContact CG-CE1 4.45Å; P48-Y97 HydrophobicContact CG-CE2 4.07Å; I90-Y97 HydrophobicContact CB-CG 4.44Å; I90-Y97 HydrophobicContact CD1-CD1 3.5Å; I90-Y97 HydrophobicContact CD1-CE1 4.09Å; I90-Y97 HydrophobicContact CD1-CG 4.14Å; I90-Y97 HydrophobicContact CG1-CD1 3.66Å; I90-Y97 HydrophobicContact CG1-CE1 4.03Å; I90-Y97 HydrophobicContact CG1-CG 4.02Å; I90-Y97 VanDerWaalsContact CG2-CB 3.42Å; I90-Y97 HydrophobicContact CG2-CD1 4.1Å; I90-Y97 HydrophobicContact CG2-CD2 4.11Å; I90-Y97 HydrophobicContact CG2-CG 3.59Å; Y97-F99 HydrophobicContact CD1-CD1 4.43Å; Y97-F99 HydrophobicContact CE1-CB 4.12Å; Y97-F99 AromaticContact CE1-CD1 3.79Å; Y97-F99 HydrophobicContact CE1-CD1 3.79Å; Y97-F99 HydrophobicContact CE1-CG 4.36Å; Y97-C166 WeakPolarHBondContact O-CA 3.44Å; Y97-V167 PolarHBondContact N-O 3.27Å; Y97-V167 PolarHBondContact O-N 2.98Å; Y97-P196 HydrophobicContact CE1-CG 3.98Å; Y97-F211 WeakPolarHBondContact OH-CD1 3.31Å
98	Y	98.9	Very high	98.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	141.5	-179	-171.5	-112.6	0	0	0	112.3	Y37 E100 G164 C165 C166 T177 F216 F218 I220	Y37-Y98 PolarHBondContact OH-N 3.39Å; Y37-Y98 PolarHBondContact OH-O 3.03Å; Y37-Y98 VanDerWaalsContact OH-O 3.14Å; Y98-E100 HydrophobicContact CE1-CG 3.55Å; Y98-E100 WeakPolarHBondContact CE1-OE1 3.4Å; Y98-E100 VanDerWaalsContact OH-CG 3.27Å; Y98-E100 WeakPolarHBondContact OH-CG 3.32Å; Y98-E100 PolarHBondContact OH-OE1 3.4Å; Y98-G164 WeakPolarHBondContact OH-CA 3.5Å; Y98-C165 WeakPolarHBondContact CD2-O 3.48Å; Y98-C166 HydrophobicContact CD2-CB 3.65Å; Y98-C166 HydrophobicContact CE2-CB 4.14Å; Y98-T177 HydrophobicContact CE2-CG2 4.02Å; Y98-T177 PolarHBondContact OH-OG1 3.2Å; Y98-F216 HydrophobicContact CD1-CB 4.32Å; Y98-F216 AromaticContact CD1-CD1 3.69Å; Y98-F216 HydrophobicContact CD1-CD1 3.69Å; Y98-F216 AromaticContact CD1-CD2 3.79Å; Y98-F216 HydrophobicContact CD1-CD2 3.79Å; Y98-F216 AromaticContact CD1-CE1 3.82Å; Y98-F216 HydrophobicContact CD1-CE1 3.82Å; Y98-F216 AromaticContact CD1-CE2 3.91Å; Y98-F216 HydrophobicContact CD1-CE2 3.91Å; Y98-F216 AromaticContact CD1-CG 3.67Å; Y98-F216 HydrophobicContact CD1-CG 3.67Å; Y98-F216 AromaticContact CD1-CZ 3.92Å; Y98-F216 HydrophobicContact CD1-CZ 3.92Å; Y98-F216 HydrophobicContact CE1-CB 3.86Å; Y98-F216 AromaticContact CE1-CD1 3.61Å; Y98-F216 HydrophobicContact CE1-CD1 3.61Å; Y98-F216 HydrophobicContact CE1-CD2 4.21Å; Y98-F216 HydrophobicContact CE1-CE1 4.14Å; Y98-F216 AromaticContact CE1-CG 3.63Å; Y98-F216 HydrophobicContact CE1-CG 3.63Å; Y98-F218 HydrophobicContact CE1-CB 4.09Å; Y98-F218 HydrophobicContact CE1-CD1 4.37Å; Y98-F218 HydrophobicContact CE2-CD1 4.08Å; Y98-F218 AromaticContact CZ-CD1 3.94Å; Y98-F218 WeakPolarHBondContact OH-CB 3.49Å; Y98-I220 HydrophobicContact CD1-CB 3.99Å; Y98-I220 HydrophobicContact CD1-CG1 4.2Å; Y98-I220 HydrophobicContact CD1-CG2 4.24Å; Y98-I220 HydrophobicContact CD2-CD1 4.2Å; Y98-I220 HydrophobicContact CG-CB 4.22Å; Y98-I220 HydrophobicContact CG-CD1 3.92Å; Y98-I220 HydrophobicContact CG-CG1 3.95Å
99	F	98.9	Very high	98.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	155.6	168	73.9	-77.3	0	0	0	110.1	W51 Y97 V101 I114 L116 G164 C165 P196 N210 F211	W51-F99 HydrophobicContact CH2-CE2 4.39Å; Y97-F99 HydrophobicContact CD1-CD1 4.43Å; Y97-F99 HydrophobicContact CE1-CB 4.12Å; Y97-F99 AromaticContact CE1-CD1 3.79Å; Y97-F99 HydrophobicContact CE1-CD1 3.79Å; Y97-F99 HydrophobicContact CE1-CG 4.36Å; F99-V101 HydrophobicContact CD2-CG2 3.95Å; F99-V101 HydrophobicContact CE2-CG2 3.71Å; F99-I114 HydrophobicContact CE2-CG2 4.42Å; F99-L116 HydrophobicContact CE1-CD2 4.33Å; F99-G164 WeakPolarHBondContact O-CA 3.37Å; F99-C165 HydrophobicContact CD1-CB 3.97Å; F99-C165 HydrophobicContact CE1-CB 3.42Å; F99-C165 VanDerWaalsContact CE1-CB 3.42Å; F99-C165 HydrophobicContact CE2-CB 4.46Å; F99-C165 HydrophobicContact CZ-CB 3.7Å; F99-C165 PolarHBondContact N-O 3.32Å; F99-C165 PolarHBondContact O-N 2.93Å; F99-P196 HydrophobicContact CD1-CB 4.06Å; F99-P196 HydrophobicContact CD1-CG 4.21Å; F99-P196 HydrophobicContact CD2-CB 4.32Å; F99-P196 HydrophobicContact CE1-CB 3.7Å; F99-P196 HydrophobicContact CE1-CG 4.15Å; F99-P196 HydrophobicContact CE2-CB 4.01Å; F99-P196 HydrophobicContact CG-CB 4.35Å; F99-P196 HydrophobicContact CZ-CB 3.69Å; F99-N210 WeakPolarHBondContact CA-O 3.47Å; F99-F211 HydrophobicContact CB-CD1 3.84Å; F99-F211 HydrophobicContact CB-CE1 4.26Å; F99-F211 HydrophobicContact CD2-CD1 4.45Å; F99-F211 HydrophobicContact CD2-CE1 4.05Å; F99-F211 HydrophobicContact CG-CD1 4.32Å; F99-F211 HydrophobicContact CG-CE1 4.25Å
100	E	98.9	Very high	98.1	Very high	6 Å²	6	23.9 Å²	23.9	3%	0.028	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	148.6	177.1	-79.7	175.1	174.3	0	0	111.5	Y98 V162 A209 N210 F216 V217 F218	Y98-E100 HydrophobicContact CE1-CG 3.55Å; Y98-E100 WeakPolarHBondContact CE1-OE1 3.4Å; Y98-E100 VanDerWaalsContact OH-CG 3.27Å; Y98-E100 WeakPolarHBondContact OH-CG 3.32Å; Y98-E100 PolarHBondContact OH-OE1 3.4Å; E100-V162 HydrophobicContact CB-CG1 3.88Å; E100-V162 HydrophobicContact CG-CG1 4Å; E100-A209 CarbonylContact O-C 3.43Å; E100-A209 WeakPolarHBondContact O-CA 3.33Å; E100-N210 HydrophobicContact CB-CB 4.31Å; E100-N210 PolarHBondContact N-O 3.23Å; E100-N210 PolarHBondContact O-N 3.42Å; E100-F216 HydrophobicContact CB-CD1 4.17Å; E100-F216 HydrophobicContact CB-CE1 4.48Å; E100-F216 HydrophobicContact CG-CD1 3.87Å; E100-F216 HydrophobicContact CG-CE1 4.48Å; E100-F216 WeakPolarHBondContact OE2-CA 3.43Å; E100-V217 VanDerWaalsContact CD-N 3.34Å; E100-V217 PolarHBondContact OE1-N 2.88Å; E100-V217 PolarHBondContact OE2-N 3.37Å; E100-F218 PolarHBondContact OE1-N 2.9Å
101	V	98.9	Very high	98.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	116.8	175.6	178	0	0	0	0	108.5	W51 F99 I114 I163 V198 V207 D208	W51-V101 HydrophobicContact CZ2-CG2 4.49Å; F99-V101 HydrophobicContact CD2-CG2 3.95Å; F99-V101 HydrophobicContact CE2-CG2 3.71Å; V101-I114 HydrophobicContact CB-CD1 3.93Å; V101-I114 HydrophobicContact CB-CG1 4.39Å; V101-I114 HydrophobicContact CB-CG2 4.32Å; V101-I114 HydrophobicContact CG1-CD1 3.87Å; V101-I114 HydrophobicContact CG1-CG1 4.22Å; V101-I114 HydrophobicContact CG2-CG2 3.98Å; V101-I163 PolarHBondContact N-O 2.86Å; V101-I163 PolarHBondContact O-N 2.94Å; V101-V198 HydrophobicContact CG1-CG2 4.18Å; V101-V198 HydrophobicContact CG2-CG2 3.92Å; V101-V207 HydrophobicContact CG1-CB 3.65Å; V101-V207 HydrophobicContact CG1-CG1 4.27Å; V101-V207 HydrophobicContact CG1-CG2 3.66Å; V101-D208 CarbonylContact C-O 3.58Å; V101-D208 WeakPolarHBondContact CA-O 3.47Å
102	K	98.9	Very high	98.2	Very high	102 Å²	102	27.6 Å²	27.6	44%	0.443	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	128.1	176.6	-176.8	170.1	-175.2	169.2	0	110.5	I104 V162 V207 D208	K102-I104 HydrophobicContact CB-CD1 4.47Å; K102-I104 HydrophobicContact CD-CD1 4.06Å; K102-I104 HydrophobicContact CG-CD1 3.97Å; K102-I104 PolarHBondContact O-N 3.34Å; K102-V162 HydrophobicContact CB-CG2 4.1Å; K102-V162 HydrophobicContact CD-CG2 4.2Å; K102-V162 HydrophobicContact CG-CG2 3.94Å; K102-V207 CarbonylContact O-C 3.58Å; K102-V207 VanDerWaalsContact O-CA 3.24Å; K102-V207 WeakPolarHBondContact O-CA 3.34Å; K102-V207 WeakPolarHBondContact O-CB 3.32Å; K102-D208 PolarHBondContact N-O 3.2Å; K102-D208 PolarHBondContact O-N 2.82Å
103	I	98.9	Very high	98.3	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	103.3	175.7	-45.9	-55.9	0	0	0	109.3	K106 M112 I114 F157 T158 G160 D161 V207	I103-K106 HydrophobicContact CG2-CB 4.39Å; I103-M112 HydrophobicContact CD1-CE 4.22Å; I103-M112 HydrophobicContact CD1-SD 4.33Å; I103-M112 HydrophobicContact CG2-CE 3.74Å; I103-M112 HydrophobicContact CG2-SD 3.94Å; I103-I114 HydrophobicContact CD1-CD1 4.1Å; I103-F157 HydrophobicContact CD1-CD2 3.89Å; I103-F157 HydrophobicContact CD1-CE2 3.93Å; I103-F157 HydrophobicContact CG1-CD2 4.01Å; I103-T158 VanDerWaalsContact CB-O 3.32Å; I103-T158 WeakPolarHBondContact CB-O 3.42Å; I103-G160 PolarHBondContact O-N 2.86Å; I103-D161 HydrophobicContact CG1-CB 4.37Å; I103-D161 PolarHBondContact N-O 3.1Å; I103-V207 HydrophobicContact CD1-CG1 3.71Å
104	I	98.9	Very high	98.5	Very high	53 Å²	53	26.7 Å²	26.7	27%	0.272	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	-33.4	178.5	-56.5	-58.8	0	0	0	110.9	K102 V206 D208	K102-I104 HydrophobicContact CB-CD1 4.47Å; K102-I104 HydrophobicContact CD-CD1 4.06Å; K102-I104 HydrophobicContact CG-CD1 3.97Å; K102-I104 PolarHBondContact O-N 3.34Å; I104-V206 WeakPolarHBondContact CA-O 3.43Å; I104-V206 HydrophobicContact CB-CB 4.18Å; I104-V206 HydrophobicContact CB-CG1 3.97Å; I104-V206 WeakPolarHBondContact CB-O 3.19Å; I104-V206 HydrophobicContact CG2-CB 4.48Å; I104-V206 HydrophobicContact CG2-CG1 4.15Å; I104-V206 PolarHBondContact N-O 2.79Å; I104-D208 HydrophobicContact CD1-CB 4.24Å; I104-D208 VanDerWaalsContact CD1-OD2 3.23Å; I104-D208 WeakPolarHBondContact CD1-OD2 3.38Å; I104-D208 HydrophobicContact CG1-CB 4.11Å; I104-D208 VanDerWaalsContact CG1-CG 3.47Å; I104-D208 WeakPolarHBondContact CG1-OD2 3.4Å
105	S	98.8	Very high	98.5	Very high	38 Å²	38	26.7 Å²	26.7	27%	0.266	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	128.6	171.8	168.5	0	0	0	0	109.2	G107 G204 E205 V206	S105-G107 PolarHBondContact O-N 2.87Å; S105-G107 PolarHBondContact OG-N 3.36Å; S105-G107 VanDerWaalsContact OG-N 3.07Å; S105-G204 VanDerWaalsContact CB-O 3.27Å; S105-G204 WeakPolarHBondContact CB-O 3.31Å; S105-G204 PolarHBondContact OG-O 2.83Å; S105-E205 WeakPolarHBondContact O-CA 3.29Å; S105-V206 PolarHBondContact N-O 3.01Å; S105-V206 PolarHBondContact O-N 3.32Å
106	K	98.5	Very high	98.6	Very high	65 Å²	65	26.7 Å²	26.7	28%	0.283	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	1.4	170.3	78.5	111.8	178.2	165.9	0	114	I103 R108 D109 G110 M112 T158 T159 E205	I103-K106 HydrophobicContact CG2-CB 4.39Å; K106-R108 PolarHBondContact NZ-O 3.36Å; K106-D109 WeakPolarHBondContact CD-O 3.31Å; K106-D109 PolarHBondContact NZ-O 3.05Å; K106-G110 VanDerWaalsContact O-CA 3.24Å; K106-G110 WeakPolarHBondContact O-CA 3.4Å; K106-G110 PolarHBondContact O-N 3.39Å; K106-G110 VanDerWaalsContact O-N 3.16Å; K106-M112 HydrophobicContact CB-CE 3.75Å; K106-M112 HydrophobicContact CB-SD 4.47Å; K106-T158 WeakPolarHBondContact CG-OG1 3.38Å; K106-T159 PolarHBondContact N-OG1 3.35Å; K106-E205 VanDerWaalsContact O-CG 3.3Å; K106-E205 WeakPolarHBondContact O-CG 3.22Å
107	G	98	Very high	98.6	Very high	23 Å²	23	26.7 Å²	26.7	24%	0.237	13%	0.128	C	C	.	.			trans	57.9	-141	-178.1	0	0	0	0	0	113	S105 P203 G204	S105-G107 PolarHBondContact O-N 2.87Å; S105-G107 PolarHBondContact OG-N 3.36Å; S105-G107 VanDerWaalsContact OG-N 3.07Å; G107-P203 WeakPolarHBondContact CA-O 3.33Å; G107-G204 VanDerWaalsContact CA-O 3.29Å; G107-G204 WeakPolarHBondContact CA-O 3.46Å; G107-G204 PolarHBondContact N-O 3.27Å
108	R	97.8	Very high	98.5	Very high	121 Å²	121	27.7 Å²	27.7	46%	0.457	14%	0.137	S	C	.	.	S	Bend	trans	-69.3	-65	179.3	-166	-172.5	64.5	-140.8	-3.3	110.9	G75 K106 P203	G75-R108 PolarHBondContact O-NH1 3.28Å; G75-R108 VanDerWaalsContact O-NH1 3.11Å; G75-R108 PolarHBondContact O-NH2 2.88Å; K106-R108 PolarHBondContact NZ-O 3.36Å; R108-P203 PolarHBondContact N-O 2.6Å; R108-P203 VanDerWaalsContact N-O 3.12Å
109	D	97.6	Very high	98.5	Very high	56 Å²	56	34.7 Å²	34.7	30%	0.299	17%	0.169	S	C	.	.	S	Bend	trans	-101.4	-50.1	-169	-51.1	-29.5	0	0	0	111	K106 Y111 T202	K106-D109 WeakPolarHBondContact CD-O 3.31Å; K106-D109 PolarHBondContact NZ-O 3.05Å; D109-Y111 HydrophobicContact CB-CD2 3.66Å; D109-Y111 HydrophobicContact CB-CE2 3.48Å; D109-Y111 VanDerWaalsContact CB-CE2 3.48Å; D109-Y111 HydrophobicContact CB-CG 4.36Å; D109-Y111 WeakPolarHBondContact OD2-CE2 3.38Å; D109-T202 HydrophobicContact CB-CG2 3.98Å; D109-T202 PolarHBondContact N-OG1 3.49Å; D109-T202 WeakPolarHBondContact OD2-CG2 3.44Å
110	G	97.3	Very high	98.3	Very high	3 Å²	3	37.9 Å²	37.9	3%	0.031	20%	0.202	C	C	.	.			trans	107.8	25.8	-178.2	0	0	0	0	0	114.1	K106 M112 E205	K106-G110 VanDerWaalsContact O-CA 3.24Å; K106-G110 WeakPolarHBondContact O-CA 3.4Å; K106-G110 PolarHBondContact O-N 3.39Å; K106-G110 VanDerWaalsContact O-N 3.16Å; G110-M112 PolarHBondContact O-N 3.45Å; G110-E205 PolarHBondContact N-OE1 3.33Å
111	Y	98.1	Very high	98.3	Very high	88 Å²	88	38.5 Å²	38.5	35%	0.345	21%	0.206	S	C	.	.			trans	-75.3	66.5	-179	-67.6	-50.6	0	0	0	110.7	D109 D139 Q201 T202 E205	D109-Y111 HydrophobicContact CB-CD2 3.66Å; D109-Y111 HydrophobicContact CB-CE2 3.48Å; D109-Y111 VanDerWaalsContact CB-CE2 3.48Å; D109-Y111 HydrophobicContact CB-CG 4.36Å; D109-Y111 WeakPolarHBondContact OD2-CE2 3.38Å; Y111-D139 HydrophobicContact CD1-CB 3.89Å; Y111-D139 VanDerWaalsContact CD1-OD2 3.24Å; Y111-D139 WeakPolarHBondContact CD1-OD2 3.36Å; Y111-D139 HydrophobicContact CE1-CB 4.04Å; Y111-D139 WeakPolarHBondContact CE1-OD2 3.33Å; Y111-Q201 PolarHBondContact O-N 3.05Å; Y111-T202 HydrophobicContact CD2-CG2 3.47Å; Y111-T202 VanDerWaalsContact CD2-CG2 3.47Å; Y111-T202 HydrophobicContact CE2-CG2 4.3Å; Y111-T202 HydrophobicContact CG-CG2 4.31Å; Y111-E205 PolarHBondContact N-OE1 3.3Å
112	M	98.6	Very high	98.2	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	23%	0.227	C	C	.	.			trans	-113.2	119	-172.5	-57.3	174.4	-64.7	0	0	109.5	I103 K106 G110 H137 G138 F157 G199 L200 E205 V207	I103-M112 HydrophobicContact CD1-CE 4.22Å; I103-M112 HydrophobicContact CD1-SD 4.33Å; I103-M112 HydrophobicContact CG2-CE 3.74Å; I103-M112 HydrophobicContact CG2-SD 3.94Å; K106-M112 HydrophobicContact CB-CE 3.75Å; K106-M112 HydrophobicContact CB-SD 4.47Å; G110-M112 PolarHBondContact O-N 3.45Å; M112-H137 WeakPolarHBondContact O-CA 3.1Å; M112-G138 PolarHBondContact O-N 3.01Å; M112-F157 HydrophobicContact CB-CE2 4.41Å; M112-F157 HydrophobicContact CE-CD2 4.45Å; M112-F157 HydrophobicContact CE-CE2 4.43Å; M112-G199 WeakPolarHBondContact CA-O 3.43Å; M112-L200 HydrophobicContact CB-CD2 4.14Å; M112-L200 HydrophobicContact CG-CD2 3.79Å; M112-L200 HydrophobicContact SD-CD2 4.44Å; M112-E205 HydrophobicContact CG-CB 4.38Å; M112-E205 HydrophobicContact CG-CG 3.94Å; M112-E205 HydrophobicContact SD-CB 4.44Å; M112-E205 HydrophobicContact SD-CG 4.14Å; M112-V207 HydrophobicContact SD-CG1 4.15Å
113	G	98.8	Very high	98.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	129.7	176.1	0	0	0	0	0	111.3	P127 Y136 V198 G199	G113-P127 WeakPolarHBondContact O-CG 3.46Å; G113-Y136 WeakPolarHBondContact CA-O 3.39Å; G113-V198 WeakPolarHBondContact O-CA 3.37Å; G113-G199 PolarHBondContact N-O 2.75Å; G113-G199 PolarHBondContact O-N 3.18Å
114	I	98.9	Very high	98.2	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	136.7	177.8	-60.3	164.7	0	0	0	108	F99 V101 I103 G135 Y136 F157 I163 Y176 V198	F99-I114 HydrophobicContact CE2-CG2 4.42Å; V101-I114 HydrophobicContact CB-CD1 3.93Å; V101-I114 HydrophobicContact CB-CG1 4.39Å; V101-I114 HydrophobicContact CB-CG2 4.32Å; V101-I114 HydrophobicContact CG1-CD1 3.87Å; V101-I114 HydrophobicContact CG1-CG1 4.22Å; V101-I114 HydrophobicContact CG2-CG2 3.98Å; I103-I114 HydrophobicContact CD1-CD1 4.1Å; I114-G135 CarbonylContact O-C 3.53Å; I114-G135 VanDerWaalsContact O-CA 3.31Å; I114-G135 WeakPolarHBondContact O-CA 3.37Å; I114-Y136 PolarHBondContact N-O 2.91Å; I114-Y136 PolarHBondContact O-N 3.5Å; I114-F157 HydrophobicContact CD1-CE2 3.75Å; I114-F157 HydrophobicContact CD1-CZ 3.78Å; I114-F157 HydrophobicContact CG1-CE2 4.5Å; I114-F157 HydrophobicContact CG1-CZ 4.28Å; I114-I163 HydrophobicContact CD1-CB 3.71Å; I114-I163 HydrophobicContact CD1-CG1 4.1Å; I114-I163 HydrophobicContact CD1-CG2 3.91Å; I114-Y176 HydrophobicContact CG2-CE1 4.42Å; I114-Y176 WeakPolarHBondContact O-CE1 3.38Å; I114-Y176 PolarHBondContact O-OH 3Å; I114-Y176 VanDerWaalsContact O-OH 3.07Å; I114-V198 HydrophobicContact CG1-CG2 4.34Å
115	G	98.8	Very high	98.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166	-132	177	0	0	0	0	0	114.9	Y134 Y176 T197	G115-Y134 WeakPolarHBondContact CA-O 3.48Å; G115-Y176 WeakPolarHBondContact CA-OH 3.45Å; G115-T197 CarbonylContact C-O 3.56Å; G115-T197 PolarHBondContact N-O 3.15Å; G115-T197 PolarHBondContact O-N 2.78Å
116	L	98.9	Very high	98.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	146.3	-166.5	-56	172.1	0	0	0	111.4	I90 F99 Y134 V167 C174 L190 L194 Y195	I90-L116 HydrophobicContact CD1-CD2 3.97Å; F99-L116 HydrophobicContact CE1-CD2 4.33Å; L116-Y134 HydrophobicContact CB-CD2 4.41Å; L116-Y134 PolarHBondContact N-O 3.44Å; L116-Y134 PolarHBondContact O-N 3.4Å; L116-Y134 VanDerWaalsContact O-O 3.08Å; L116-V167 HydrophobicContact CD1-CG1 4.31Å; L116-V167 HydrophobicContact CD1-CG2 3.7Å; L116-V167 HydrophobicContact CD2-CG2 3.8Å; L116-V167 HydrophobicContact CG-CG2 4.32Å; L116-C174 HydrophobicContact CD1-CB 4.48Å; L116-L190 HydrophobicContact CD1-CD1 4.09Å; L116-L194 HydrophobicContact CB-CB 4.23Å; L116-L194 HydrophobicContact CB-CD1 4.12Å; L116-L194 HydrophobicContact CD1-CD1 3.86Å; L116-Y195 VanDerWaalsContact CA-O 3.3Å; L116-Y195 WeakPolarHBondContact CA-O 3.43Å
117	S	98.8	Very high	98.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	149.4	167.5	68.2	0	0	0	0	112.5	R85 Y195 T197	R85-S117 WeakPolarHBondContact CD-OG 3.45Å; R85-S117 WeakPolarHBondContact CG-OG 3.44Å; R85-S117 PolarHBondContact NH1-OG 3.5Å; S117-Y195 PolarHBondContact N-O 3.42Å; S117-Y195 PolarHBondContact O-N 2.98Å; S117-T197 PolarHBondContact N-OG1 2.91Å; S117-T197 PolarHBondContact OG-OG1 2.81Å
118	A	98.4	Very high	98.1	Very high	22 Å²	22	35 Å²	35	18%	0.182	18%	0.182	C	C	.	.			trans	-71.7	161.2	172.1	0	0	0	0	0	111.4	R85 G120 V121 H132 L194	R85-A118 PolarHBondContact NH1-O 2.88Å; A118-G120 PolarHBondContact O-N 3.49Å; A118-V121 HydrophobicContact CB-CG2 4.06Å; A118-V121 WeakPolarHBondContact O-CB 3.26Å; A118-V121 WeakPolarHBondContact O-CG2 3.46Å; A118-V121 PolarHBondContact O-N 3.01Å; A118-H132 HydrophobicContact CB-CB 3.78Å; A118-H132 PolarHBondContact N-O 3.46Å; A118-L194 HydrophobicContact CB-CD2 4.21Å
119	Q	97.9	Very high	98.1	Very high	147 Å²	147	30.9 Å²	30.9	69%	0.687	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	138.7	174	-163.2	179.9	20.1	0	0	110.9	V121 Y195	Q119-V121 PolarHBondContact O-N 3.11Å; Q119-Y195 HydrophobicContact CB-CE2 3.9Å; Q119-Y195 HydrophobicContact CG-CE2 4.39Å
120	G	95.4	Very high	98.1	Very high	67 Å²	67	30.2 Å²	30.2	69%	0.691	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.1	-5.4	177	0	0	0	0	0	115.7	A118 N122	A118-G120 PolarHBondContact O-N 3.49Å; G120-N122 PolarHBondContact O-N 3.42Å
121	V	97.9	Very high	98.2	Very high	18 Å²	18	37.1 Å²	37.1	11%	0.109	19%	0.192	C	C	.	.			trans	-57	138.9	167.7	171.4	0	0	0	0	109.4	R85 A118 Q119 M123 D130 H132	R85-V121 PolarHBondContact NH1-O 2.82Å; R85-V121 PolarHBondContact NH2-O 3.24Å; A118-V121 HydrophobicContact CB-CG2 4.06Å; A118-V121 WeakPolarHBondContact O-CB 3.26Å; A118-V121 WeakPolarHBondContact O-CG2 3.46Å; A118-V121 PolarHBondContact O-N 3.01Å; Q119-V121 PolarHBondContact O-N 3.11Å; V121-M123 PolarHBondContact O-N 2.96Å; V121-D130 HydrophobicContact CG1-CB 4.3Å; V121-H132 HydrophobicContact CG2-CB 4.35Å
122	N	97.8	Very high	98.1	Very high	81 Å²	81	36.4 Å²	36.4	43%	0.433	19%	0.192	S	C	.	.			trans	-60.7	126.4	-177.2	179.3	11.8	0	0	0	111.7	G120 N124 R125	G120-N122 PolarHBondContact O-N 3.42Å; N122-N124 PolarHBondContact OD1-N 3.24Å; N122-R125 HydrophobicContact CB-CG 4.21Å
123	M	98.3	Very high	98.2	Very high	15 Å²	15	36.5 Å²	36.5	7%	0.074	19%	0.192	C	C	.	.	S	Bend	trans	-89.6	-5.8	-179.3	-63.4	-75.5	83.1	0	0	114	F57 A82 S83 R85 V121 R125 T197	F57-M123 HydrophobicContact CB-CB 3.93Å; F57-M123 WeakPolarHBondContact CB-O 3.33Å; A82-M123 CarbonylContact C-O 3.53Å; A82-M123 WeakPolarHBondContact CA-O 3.38Å; S83-M123 PolarHBondContact N-O 2.91Å; R85-M123 HydrophobicContact CG-SD 4.15Å; R85-M123 VanDerWaalsContact NH1-CE 3.31Å; V121-M123 PolarHBondContact O-N 2.96Å; M123-R125 PolarHBondContact O-N 2.88Å; M123-R125 VanDerWaalsContact O-N 3.09Å; M123-T197 HydrophobicContact CE-CG2 4.13Å
124	N	97.9	Very high	98.2	Very high	37 Å²	37	37.2 Å²	37.2	20%	0.198	20%	0.195	C	C	.	.	S	Bend	trans	-85	47.1	171	-167.2	85.5	0	0	0	111.6	F57 K79 A81 N122	F57-N124 HydrophobicContact CD1-CB 4.43Å; F57-N124 WeakPolarHBondContact CD1-OD1 3.47Å; F57-N124 HydrophobicContact CD2-CB 3.8Å; F57-N124 HydrophobicContact CE1-CB 4.43Å; F57-N124 WeakPolarHBondContact CE1-OD1 3.18Å; F57-N124 HydrophobicContact CE2-CB 3.8Å; F57-N124 HydrophobicContact CG-CB 4.14Å; F57-N124 HydrophobicContact CZ-CB 4.13Å; F57-N124 WeakPolarHBondContact CZ-OD1 3.38Å; K79-N124 PolarHBondContact O-ND2 2.97Å; A81-N124 CarbonylContact O-C 3.08Å; A81-N124 VanDerWaalsContact O-CA 3.22Å; A81-N124 WeakPolarHBondContact O-CA 3.44Å; N122-N124 PolarHBondContact OD1-N 3.24Å
125	R	97.9	Very high	98.1	Very high	72 Å²	72	37.1 Å²	37.1	27%	0.272	20%	0.195	S	C	.	.	S	Bend	trans	-155.6	160.1	-172.3	-55.2	-67.9	-92.8	141.6	3.9	108.3	A81 S83 N122 M123 W129 D130	A81-R125 PolarHBondContact O-N 3.14Å; S83-R125 WeakPolarHBondContact CB-O 3.37Å; S83-R125 PolarHBondContact OG-O 2.86Å; N122-R125 HydrophobicContact CB-CG 4.21Å; M123-R125 PolarHBondContact O-N 2.88Å; M123-R125 VanDerWaalsContact O-N 3.09Å; R125-W129 HydrophobicContact CB-CE3 4.35Å; R125-W129 PolarHBondContact NH2-O 3.14Å; R125-D130 IonicContact CZ-OD1 2.74Å; R125-D130 IonicContact NE-OD1 3.55Å; R125-D130 PolarHBondContact NE-OD1 3.48Å; R125-D130 IonicContact NE-OD2 3.78Å; R125-D130 IonicContact NH2-OD1 3.15Å; R125-D130 PolarHBondContact NH2-OD1 2.89Å
126	L	98.4	Very high	98.2	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.016	20%	0.195	C	C	.	.			trans	-82.8	155.9	163.9	-63.1	-175.7	0	0	0	110.8	A81 W129 H137 G199 Q201	A81-L126 HydrophobicContact CB-CD2 4.19Å; A81-L126 HydrophobicContact CB-CG 4.05Å; L126-W129 HydrophobicContact CB-CD2 4.02Å; L126-W129 HydrophobicContact CB-CE3 4.18Å; L126-W129 HydrophobicContact CB-CH2 4.39Å; L126-W129 HydrophobicContact CB-CZ2 4.24Å; L126-W129 HydrophobicContact CB-CZ3 4.36Å; L126-W129 HydrophobicContact CD1-CH2 3.91Å; L126-W129 HydrophobicContact CD1-CZ2 3.74Å; L126-W129 HydrophobicContact CG-CE3 4.49Å; L126-W129 HydrophobicContact CG-CH2 3.97Å; L126-W129 HydrophobicContact CG-CZ2 4.11Å; L126-W129 HydrophobicContact CG-CZ3 4.17Å; L126-W129 PolarHBondContact O-N 2.89Å; L126-H137 VanDerWaalsContact CB-CE1 3.46Å; L126-H137 WeakPolarHBondContact CB-CE1 3.35Å; L126-G199 VanDerWaalsContact CD2-C 3.41Å; L126-Q201 HydrophobicContact CD2-CB 4.4Å
127	P	98.6	Very high	98.1	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	142.1	174.1	-26.2	35.7	0	0	0	112	G113 W129 Y134 H137 T197	G113-P127 WeakPolarHBondContact O-CG 3.46Å; P127-W129 PolarHBondContact O-N 3.32Å; P127-Y134 WeakPolarHBondContact CB-O 3.32Å; P127-H137 PolarHBondContact O-NE2 2.89Å; P127-T197 HydrophobicContact CG-CG2 3.9Å
128	G	98.5	Very high	98.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.3	-28.3	-177.7	0	0	0	0	0	116.1	D130 S133 F144 S146 S147	G128-D130 PolarHBondContact O-N 3.07Å; G128-S133 VanDerWaalsContact CA-C 3.48Å; G128-S133 WeakPolarHBondContact CA-O 3.37Å; G128-S133 PolarHBondContact N-OG 3.3Å; G128-F144 WeakPolarHBondContact CA-O 3.38Å; G128-S146 CarbonylContact O-C 3.44Å; G128-S146 WeakPolarHBondContact O-CA 3.47Å; G128-S146 PolarHBondContact O-N 2.95Å; G128-S146 VanDerWaalsContact O-N 3.13Å; G128-S147 PolarHBondContact O-N 3.49Å; G128-S147 VanDerWaalsContact O-O 3.07Å
129	W	98.1	Very high	98.1	Very high	35 Å²	35	39.5 Å²	39.5	13%	0.133	21%	0.205	C	C	.	.	S	Bend	trans	-72.6	-23	-171.3	-74.6	-0.8	0	0	0	116.5	P78 A81 R125 L126 P127 H137 F144 S147 G148	P78-W129 HydrophobicContact CB-CH2 4.1Å; P78-W129 HydrophobicContact CB-CZ3 4.35Å; A81-W129 HydrophobicContact CB-CH2 4.44Å; A81-W129 HydrophobicContact CB-CZ3 3.88Å; R125-W129 HydrophobicContact CB-CE3 4.35Å; R125-W129 PolarHBondContact NH2-O 3.14Å; L126-W129 HydrophobicContact CB-CD2 4.02Å; L126-W129 HydrophobicContact CB-CE3 4.18Å; L126-W129 HydrophobicContact CB-CH2 4.39Å; L126-W129 HydrophobicContact CB-CZ2 4.24Å; L126-W129 HydrophobicContact CB-CZ3 4.36Å; L126-W129 HydrophobicContact CD1-CH2 3.91Å; L126-W129 HydrophobicContact CD1-CZ2 3.74Å; L126-W129 HydrophobicContact CG-CE3 4.49Å; L126-W129 HydrophobicContact CG-CH2 3.97Å; L126-W129 HydrophobicContact CG-CZ2 4.11Å; L126-W129 HydrophobicContact CG-CZ3 4.17Å; L126-W129 PolarHBondContact O-N 2.89Å; P127-W129 PolarHBondContact O-N 3.32Å; W129-H137 AromaticContact CD1-CE1 3.95Å; W129-H137 AromaticContact CE2-CE1 3.94Å; W129-H137 AromaticContact NE1-CE1 3.38Å; W129-H137 PolarHBondContact NE1-CE1 3.32Å; W129-F144 AromaticContact CD1-CD1 3.43Å; W129-F144 VanDerWaalsContact CD1-CD1 3.43Å; W129-F144 AromaticContact CD1-CE1 3.83Å; W129-F144 AromaticContact NE1-CD1 3.54Å; W129-F144 AromaticContact NE1-CE1 3.44Å; W129-S147 WeakPolarHBondContact CA-O 3.4Å; W129-S147 CarbonylContact O-C 3.58Å; W129-G148 PolarHBondContact O-N 2.95Å
130	D	97.7	Very high	98.1	Very high	41 Å²	41	35.1 Å²	35.1	22%	0.219	19%	0.186	C	C	.	.	S	Bend	trans	-117.8	157.2	-178.8	-80.9	9.6	0	0	0	110.4	V121 R125 G128 H132 S133 S146	V121-D130 HydrophobicContact CG1-CB 4.3Å; R125-D130 IonicContact CZ-OD1 2.74Å; R125-D130 IonicContact NE-OD1 3.55Å; R125-D130 PolarHBondContact NE-OD1 3.48Å; R125-D130 IonicContact NE-OD2 3.78Å; R125-D130 IonicContact NH2-OD1 3.15Å; R125-D130 PolarHBondContact NH2-OD1 2.89Å; G128-D130 PolarHBondContact O-N 3.07Å; D130-H132 PolarHBondContact O-N 2.62Å; D130-S133 WeakPolarHBondContact O-CA 3.33Å; D130-S133 WeakPolarHBondContact O-CB 3.34Å; D130-S133 PolarHBondContact O-N 2.92Å; D130-S146 WeakPolarHBondContact O-CA 3.44Å
131	K	97.4	Very high	98.3	Very high	148 Å²	148	31.9 Å²	31.9	64%	0.643	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	137.8	-178.3	-161.2	-165	179.6	-147.3	0	112.1
132	H	97.9	Very high	98.3	Very high	74 Å²	74	33.6 Å²	33.6	34%	0.343	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	27.7	-172.9	-49	-74.4	0	0	0	113.6	A118 V121 D130 S146	A118-H132 HydrophobicContact CB-CB 3.78Å; A118-H132 PolarHBondContact N-O 3.46Å; V121-H132 HydrophobicContact CG2-CB 4.35Å; D130-H132 PolarHBondContact O-N 2.62Å; H132-S146 PolarHBondContact N-OG 2.83Å
133	S	98.8	Very high	98.4	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.021	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	147.9	169.8	-155.3	0	0	0	0	109.4	G128 D130 S146	G128-S133 VanDerWaalsContact CA-C 3.48Å; G128-S133 WeakPolarHBondContact CA-O 3.37Å; G128-S133 PolarHBondContact N-OG 3.3Å; D130-S133 WeakPolarHBondContact O-CA 3.33Å; D130-S133 WeakPolarHBondContact O-CB 3.34Å; D130-S133 PolarHBondContact O-N 2.92Å; S133-S146 WeakPolarHBondContact O-CA 3.38Å; S133-S146 PolarHBondContact O-N 3.14Å; S133-S146 PolarHBondContact O-OG 2.94Å
134	Y	98.9	Very high	98.4	Very high	16 Å²	16	30.3 Å²	30.3	6%	0.063	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	135.4	-175.2	-53.6	-91.6	0	0	0	108.8	G115 L116 P127 F144 C145 F187 L190 P191 L194	G115-Y134 WeakPolarHBondContact CA-O 3.48Å; L116-Y134 HydrophobicContact CB-CD2 4.41Å; L116-Y134 PolarHBondContact N-O 3.44Å; L116-Y134 PolarHBondContact O-N 3.4Å; L116-Y134 VanDerWaalsContact O-O 3.08Å; P127-Y134 WeakPolarHBondContact CB-O 3.32Å; Y134-F144 WeakPolarHBondContact CA-O 3.48Å; Y134-C145 VanDerWaalsContact CE1-SG 3.58Å; Y134-F187 HydrophobicContact CD1-CB 4.44Å; Y134-F187 HydrophobicContact CD1-CD1 4.17Å; Y134-F187 HydrophobicContact CD1-CD2 4.24Å; Y134-F187 HydrophobicContact CD1-CG 4.01Å; Y134-F187 HydrophobicContact CG-CD2 4.43Å; Y134-L190 HydrophobicContact CD1-CD2 3.57Å; Y134-L190 HydrophobicContact CD2-CD2 4.01Å; Y134-L190 HydrophobicContact CE1-CD2 3.48Å; Y134-L190 VanDerWaalsContact CE1-CD2 3.48Å; Y134-L190 HydrophobicContact CE2-CD2 3.96Å; Y134-L190 HydrophobicContact CG-CD2 3.84Å; Y134-P191 HydrophobicContact CE2-CG 4.22Å; Y134-P191 WeakPolarHBondContact OH-CD 3.48Å; Y134-L194 HydrophobicContact CD2-CD1 4.11Å; Y134-L194 HydrophobicContact CD2-CD2 4.18Å; Y134-L194 HydrophobicContact CE2-CD1 4.08Å; Y134-L194 HydrophobicContact CE2-CD2 4.02Å
135	G	98.8	Very high	98.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	154.7	-175.9	0	0	0	0	0	115.5	I114 S143 F144	I114-G135 CarbonylContact O-C 3.53Å; I114-G135 VanDerWaalsContact O-CA 3.31Å; I114-G135 WeakPolarHBondContact O-CA 3.37Å; G135-S143 CarbonylContact O-C 3.54Å; G135-S143 WeakPolarHBondContact O-CA 3.26Å; G135-F144 PolarHBondContact N-O 2.66Å; G135-F144 PolarHBondContact O-N 3.2Å
136	Y	98.9	Very high	98.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128.2	172.1	166.5	-141.8	0	0	0	108.1	G113 I114 G141 H142 Y153 P155 F157 I163 Y176 L183	G113-Y136 WeakPolarHBondContact CA-O 3.39Å; I114-Y136 PolarHBondContact N-O 2.91Å; I114-Y136 PolarHBondContact O-N 3.5Å; Y136-G141 WeakPolarHBondContact CE2-O 3.46Å; Y136-H142 WeakPolarHBondContact CA-O 3.49Å; Y136-Y153 HydrophobicContact CD1-CE1 4.34Å; Y136-Y153 AromaticContact CD2-CD1 3.75Å; Y136-Y153 HydrophobicContact CD2-CD1 3.75Å; Y136-Y153 HydrophobicContact CD2-CE1 4.16Å; Y136-Y153 HydrophobicContact CE2-CD1 4.01Å; Y136-Y153 HydrophobicContact CE2-CE1 4.38Å; Y136-Y153 HydrophobicContact CG-CD1 4.15Å; Y136-Y153 HydrophobicContact CG-CE1 4.15Å; Y136-P155 PolarHBondContact OH-O 2.74Å; Y136-F157 HydrophobicContact CD1-CD1 4.33Å; Y136-F157 AromaticContact CD1-CE1 3.77Å; Y136-F157 HydrophobicContact CD1-CE1 3.77Å; Y136-F157 HydrophobicContact CD2-CE1 4.09Å; Y136-F157 AromaticContact CE1-CD1 3.77Å; Y136-F157 HydrophobicContact CE1-CD1 3.77Å; Y136-F157 AromaticContact CE1-CE1 3.69Å; Y136-F157 HydrophobicContact CE1-CE1 3.69Å; Y136-F157 HydrophobicContact CE2-CD1 4.13Å; Y136-F157 AromaticContact CE2-CE1 3.99Å; Y136-F157 HydrophobicContact CE2-CE1 3.99Å; Y136-F157 AromaticContact CG-CE1 3.98Å; Y136-F157 HydrophobicContact CG-CE1 3.98Å; Y136-F157 AromaticContact CZ-CD1 3.64Å; Y136-F157 AromaticContact CZ-CE1 3.79Å; Y136-I163 HydrophobicContact CD1-CG2 3.87Å; Y136-I163 HydrophobicContact CE1-CD1 4.27Å; Y136-I163 HydrophobicContact CE1-CG2 3.9Å; Y136-Y176 AromaticContact CD1-CD1 3.73Å; Y136-Y176 HydrophobicContact CD1-CD1 3.73Å; Y136-Y176 HydrophobicContact CD1-CD2 4.03Å; Y136-Y176 HydrophobicContact CD1-CE1 4.39Å; Y136-Y176 AromaticContact CD1-CG 3.53Å; Y136-Y176 HydrophobicContact CD1-CG 3.53Å; Y136-Y176 HydrophobicContact CE1-CG 4.37Å; Y136-Y176 HydrophobicContact CG-CD1 4.37Å; Y136-Y176 HydrophobicContact CG-CD2 4.15Å; Y136-Y176 HydrophobicContact CG-CE2 4.46Å; Y136-Y176 HydrophobicContact CG-CG 4.11Å; Y136-L183 HydrophobicContact CE1-CD1 3.61Å; Y136-L183 WeakPolarHBondContact OH-CD1 3.45Å
137	H	98.8	Very high	98.3	Very high	3 Å²	3	32.1 Å²	32.1	1%	0.014	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	141.1	-165.9	-70.3	-136	0	0	0	111.9	M112 L126 P127 W129 G141 H142 F144	M112-H137 WeakPolarHBondContact O-CA 3.1Å; L126-H137 VanDerWaalsContact CB-CE1 3.46Å; L126-H137 WeakPolarHBondContact CB-CE1 3.35Å; P127-H137 PolarHBondContact O-NE2 2.89Å; W129-H137 AromaticContact CD1-CE1 3.95Å; W129-H137 AromaticContact CE2-CE1 3.94Å; W129-H137 AromaticContact NE1-CE1 3.38Å; W129-H137 PolarHBondContact NE1-CE1 3.32Å; H137-G141 VanDerWaalsContact O-CA 3.28Å; H137-G141 WeakPolarHBondContact O-CA 3.37Å; H137-G141 PolarHBondContact O-N 3.11Å; H137-G141 VanDerWaalsContact O-N 3.07Å; H137-H142 PolarHBondContact N-O 3.02Å; H137-H142 VanDerWaalsContact N-O 3.09Å; H137-F144 HydrophobicContact CB-CD2 4.31Å; H137-F144 HydrophobicContact CB-CE2 3.86Å; H137-F144 AromaticContact CD2-CD2 3.24Å; H137-F144 WeakPolarHBondContact CD2-CD2 3.35Å; H137-F144 AromaticContact CD2-CE2 3.63Å; H137-F144 AromaticContact CE1-CD2 3.93Å; H137-F144 AromaticContact CG-CD2 3.67Å; H137-F144 AromaticContact CG-CE2 3.51Å; H137-F144 AromaticContact ND1-CE2 3.81Å; H137-F144 AromaticContact NE2-CD2 3.46Å; H137-F144 WeakPolarHBondContact NE2-CD2 3.41Å; H137-F144 AromaticContact NE2-CE2 3.97Å; H137-F144 AromaticContact NE2-CG 3.78Å
138	G	98.4	Very high	98	Very high	3 Å²	3	34.4 Å²	34.4	3%	0.031	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-28	-167.3	0	0	0	0	0	115.6	M112 T156 F157	M112-G138 PolarHBondContact O-N 3.01Å; G138-T156 CarbonylContact O-C 3.5Å; G138-T156 WeakPolarHBondContact O-CA 3.25Å; G138-T156 WeakPolarHBondContact O-CB 3.13Å; G138-F157 VanDerWaalsContact CA-CE1 3.49Å; G138-F157 VanDerWaalsContact CA-CE2 3.45Å; G138-F157 VanDerWaalsContact N-CZ 3.3Å; G138-F157 PolarHBondContact O-N 3.01Å
139	D	97.9	Very high	97.9	Very high	65 Å²	65	39.3 Å²	39.3	35%	0.348	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-32.7	-174.6	57.9	-71.1	0	0	0	114	Y111 T156	Y111-D139 HydrophobicContact CD1-CB 3.89Å; Y111-D139 VanDerWaalsContact CD1-OD2 3.24Å; Y111-D139 WeakPolarHBondContact CD1-OD2 3.36Å; Y111-D139 HydrophobicContact CE1-CB 4.04Å; Y111-D139 WeakPolarHBondContact CE1-OD2 3.33Å; D139-T156 VanDerWaalsContact O-CG2 3.26Å; D139-T156 WeakPolarHBondContact O-CG2 3.4Å
140	D	98.2	Very high	97.9	Very high	55 Å²	55	38.2 Å²	38.2	29%	0.294	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-13.5	-179.8	68.8	1.9	0	0	0	114	H142	D140-H142 PolarHBondContact O-CE1 3.28Å; D140-H142 PolarHBondContact O-N 3.17Å; D140-H142 PolarHBondContact O-ND1 3.21Å; D140-H142 WeakPolarHBondContact OD1-CB 3.49Å; D140-H142 IonicContact OD1-CG 3.31Å; D140-H142 PolarHBondContact OD1-N 3.2Å; D140-H142 IonicContact OD1-ND1 2.81Å; D140-H142 WeakPolarHBondContact OD2-CB 3.18Å; D140-H142 IonicContact OD2-CG 2.91Å; D140-H142 IonicContact OD2-ND1 3.49Å
141	G	98.6	Very high	97.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.238	C	C	.	.			trans	71.3	10.1	-176	0	0	0	0	0	114.4	Y136 H137 G154 P155	Y136-G141 WeakPolarHBondContact CE2-O 3.46Å; H137-G141 VanDerWaalsContact O-CA 3.28Å; H137-G141 WeakPolarHBondContact O-CA 3.37Å; H137-G141 PolarHBondContact O-N 3.11Å; H137-G141 VanDerWaalsContact O-N 3.07Å; G141-G154 PolarHBondContact O-N 3.11Å; G141-P155 WeakPolarHBondContact CA-O 3.42Å
142	H	98.8	Very high	98	Very high	54 Å²	54	39.8 Å²	39.8	25%	0.25	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	153.6	-174	-71.8	40.8	0	0	0	112.4	Y136 H137 D140 F144 Q151	Y136-H142 WeakPolarHBondContact CA-O 3.49Å; H137-H142 PolarHBondContact N-O 3.02Å; H137-H142 VanDerWaalsContact N-O 3.09Å; D140-H142 PolarHBondContact O-CE1 3.28Å; D140-H142 PolarHBondContact O-N 3.17Å; D140-H142 PolarHBondContact O-ND1 3.21Å; D140-H142 WeakPolarHBondContact OD1-CB 3.49Å; D140-H142 IonicContact OD1-CG 3.31Å; D140-H142 PolarHBondContact OD1-N 3.2Å; D140-H142 IonicContact OD1-ND1 2.81Å; D140-H142 WeakPolarHBondContact OD2-CB 3.18Å; D140-H142 IonicContact OD2-CG 2.91Å; D140-H142 IonicContact OD2-ND1 3.49Å; H142-F144 HydrophobicContact CB-CD2 4.37Å; H142-F144 HydrophobicContact CB-CE2 3.77Å; H142-F144 HydrophobicContact CB-CZ 4.41Å; H142-Q151 CarbonylContact C-O 3.53Å; H142-Q151 WeakPolarHBondContact CA-O 3.42Å; H142-Q151 WeakPolarHBondContact CB-O 3.38Å
143	S	98.7	Very high	98	Very high	14 Å²	14	38.5 Å²	38.5	10%	0.098	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	139.4	167.6	71.2	0	0	0	0	110.6	G135 G150 Q151	G135-S143 CarbonylContact O-C 3.54Å; G135-S143 WeakPolarHBondContact O-CA 3.26Å; S143-G150 CarbonylContact O-C 3.53Å; S143-G150 VanDerWaalsContact O-CA 3.23Å; S143-G150 WeakPolarHBondContact O-CA 3.34Å; S143-Q151 PolarHBondContact N-O 3.21Å; S143-Q151 PolarHBondContact O-N 3.07Å
144	F	98.6	Very high	98	Very high	13 Å²	13	39.5 Å²	39.5	6%	0.057	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	113.2	-178.2	-69.6	-105	0	0	0	108.1	G128 W129 Y134 G135 H137 H142 G150	G128-F144 WeakPolarHBondContact CA-O 3.38Å; W129-F144 AromaticContact CD1-CD1 3.43Å; W129-F144 VanDerWaalsContact CD1-CD1 3.43Å; W129-F144 AromaticContact CD1-CE1 3.83Å; W129-F144 AromaticContact NE1-CD1 3.54Å; W129-F144 AromaticContact NE1-CE1 3.44Å; Y134-F144 WeakPolarHBondContact CA-O 3.48Å; G135-F144 PolarHBondContact N-O 2.66Å; G135-F144 PolarHBondContact O-N 3.2Å; H137-F144 HydrophobicContact CB-CD2 4.31Å; H137-F144 HydrophobicContact CB-CE2 3.86Å; H137-F144 AromaticContact CD2-CD2 3.24Å; H137-F144 WeakPolarHBondContact CD2-CD2 3.35Å; H137-F144 AromaticContact CD2-CE2 3.63Å; H137-F144 AromaticContact CE1-CD2 3.93Å; H137-F144 AromaticContact CG-CD2 3.67Å; H137-F144 AromaticContact CG-CE2 3.51Å; H137-F144 AromaticContact ND1-CE2 3.81Å; H137-F144 AromaticContact NE2-CD2 3.46Å; H137-F144 WeakPolarHBondContact NE2-CD2 3.41Å; H137-F144 AromaticContact NE2-CE2 3.97Å; H137-F144 AromaticContact NE2-CG 3.78Å; H142-F144 HydrophobicContact CB-CD2 4.37Å; H142-F144 HydrophobicContact CB-CE2 3.77Å; H142-F144 HydrophobicContact CB-CZ 4.41Å; F144-G150 VanDerWaalsContact CD1-CA 3.48Å; F144-G150 VanDerWaalsContact CE1-CA 3.46Å
145	C	98	Very high	98	Very high	64 Å²	64	41.8 Å²	41.8	43%	0.432	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	96.2	-175.6	-172	0	0	0	0	110.1	Y134 S147 F187	Y134-C145 VanDerWaalsContact CE1-SG 3.58Å; C145-S147 WeakPolarHBondContact O-CB 3.17Å; C145-S147 PolarHBondContact O-N 3.04Å; C145-F187 HydrophobicContact CB-CD1 3.73Å; C145-F187 HydrophobicContact CB-CE1 3.71Å
146	S	97.8	Very high	98	Very high	40 Å²	40	45.5 Å²	45.5	28%	0.28	28%	0.283	S	S	.	.	S	Bend	trans	49.6	32	180	-71.4	0	0	0	0	115	G128 D130 H132 S133	G128-S146 CarbonylContact O-C 3.44Å; G128-S146 WeakPolarHBondContact O-CA 3.47Å; G128-S146 PolarHBondContact O-N 2.95Å; G128-S146 VanDerWaalsContact O-N 3.13Å; D130-S146 WeakPolarHBondContact O-CA 3.44Å; H132-S146 PolarHBondContact N-OG 2.83Å; S133-S146 WeakPolarHBondContact O-CA 3.38Å; S133-S146 PolarHBondContact O-N 3.14Å; S133-S146 PolarHBondContact O-OG 2.94Å
147	S	96.3	Very high	98	Very high	45 Å²	45	45.8 Å²	45.8	32%	0.315	28%	0.284	S	S	.	.	S	Bend	trans	-151.5	139.3	-167	173.6	0	0	0	0	110.7	G128 W129 C145 T149	G128-S147 PolarHBondContact O-N 3.49Å; G128-S147 VanDerWaalsContact O-O 3.07Å; W129-S147 WeakPolarHBondContact CA-O 3.4Å; W129-S147 CarbonylContact O-C 3.58Å; C145-S147 WeakPolarHBondContact O-CB 3.17Å; C145-S147 PolarHBondContact O-N 3.04Å; S147-T149 PolarHBondContact O-N 3.46Å; S147-T149 PolarHBondContact OG-N 3.35Å; S147-T149 VanDerWaalsContact OG-N 3.08Å; S147-T149 PolarHBondContact OG-O 3.17Å
148	G	93.7	Very high	98	Very high	50 Å²	50	48.7 Å²	48.7	52%	0.515	30%	0.302	S	S	.	.	S	Bend	trans	-73.2	-7	171.1	0	0	0	0	0	114.5	W129	W129-G148 PolarHBondContact O-N 2.95Å
149	T	96.7	Very high	98	Very high	102 Å²	102	52.2 Å²	52.2	63%	0.626	32%	0.323	S	S	*	.	S	Bend	trans	-104.4	113.5	175.2	-53.5	0	0	0	0	109	S147	S147-T149 PolarHBondContact O-N 3.46Å; S147-T149 PolarHBondContact OG-N 3.35Å; S147-T149 VanDerWaalsContact OG-N 3.08Å; S147-T149 PolarHBondContact OG-O 3.17Å
150	G	96.8	Very high	98	Very high	12 Å²	12	51.4 Å²	51.4	12%	0.124	33%	0.33	C	S	.	.			trans	-75.4	167.2	176.1	0	0	0	0	0	112.6	S143 F144	S143-G150 CarbonylContact O-C 3.53Å; S143-G150 VanDerWaalsContact O-CA 3.23Å; S143-G150 WeakPolarHBondContact O-CA 3.34Å; F144-G150 VanDerWaalsContact CD1-CA 3.48Å; F144-G150 VanDerWaalsContact CE1-CA 3.46Å
151	Q	98	Very high	98	Very high	118 Å²	118	49.7 Å²	49.7	55%	0.551	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.4	144.1	173.2	-62.2	-63.3	-75	0	0	110	H142 S143 Y153	H142-Q151 CarbonylContact C-O 3.53Å; H142-Q151 WeakPolarHBondContact CA-O 3.42Å; H142-Q151 WeakPolarHBondContact CB-O 3.38Å; S143-Q151 PolarHBondContact N-O 3.21Å; S143-Q151 PolarHBondContact O-N 3.07Å; Q151-Y153 PolarHBondContact O-N 3.22Å
152	P	98.6	Very high	98.1	Very high	104 Å²	104	50.5 Å²	50.5	68%	0.675	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55	131.2	174.9	-24.6	33.5	0	0	0	111.2
153	Y	98.8	Very high	98.1	Very high	48 Å²	48	47.9 Å²	47.9	19%	0.188	31%	0.314	C	S	.	.			trans	-142.1	-60.3	-174.3	167.9	-113.2	0	0	0	112.7	Y136 Q151 Y176 L183 G184 A186	Y136-Y153 HydrophobicContact CD1-CE1 4.34Å; Y136-Y153 AromaticContact CD2-CD1 3.75Å; Y136-Y153 HydrophobicContact CD2-CD1 3.75Å; Y136-Y153 HydrophobicContact CD2-CE1 4.16Å; Y136-Y153 HydrophobicContact CE2-CD1 4.01Å; Y136-Y153 HydrophobicContact CE2-CE1 4.38Å; Y136-Y153 HydrophobicContact CG-CD1 4.15Å; Y136-Y153 HydrophobicContact CG-CE1 4.15Å; Q151-Y153 PolarHBondContact O-N 3.22Å; Y153-Y176 AromaticContact CE1-CD2 3.65Å; Y153-Y176 HydrophobicContact CE1-CD2 3.65Å; Y153-Y176 HydrophobicContact CE1-CG 4.26Å; Y153-Y176 PolarHBondContact OH-N 2.93Å; Y153-L183 HydrophobicContact CE1-CB 4.25Å; Y153-L183 HydrophobicContact CE1-CD1 4.34Å; Y153-L183 WeakPolarHBondContact OH-CB 3.48Å; Y153-G184 WeakPolarHBondContact CE2-O 3.5Å; Y153-G184 PolarHBondContact OH-O 3.47Å; Y153-A186 HydrophobicContact CD2-CB 4.12Å; Y153-A186 HydrophobicContact CE1-CB 4.08Å; Y153-A186 HydrophobicContact CE2-CB 3.66Å
154	G	98.4	Very high	98.1	Very high	24 Å²	24	47.2 Å²	47.2	25%	0.247	31%	0.309	C	S	.	.	S	Bend	trans	-131.4	-177.8	-174.8	0	0	0	0	0	113.1	G141	G141-G154 PolarHBondContact O-N 3.11Å
155	P	98.6	Very high	98.1	Very high	63 Å²	63	46.6 Å²	46.6	41%	0.409	31%	0.306	S	S	.	.			trans	-68.1	164.3	168	31.9	-36.1	0	0	0	110.9	Y136 G141 K178 L183	Y136-P155 PolarHBondContact OH-O 2.74Å; G141-P155 WeakPolarHBondContact CA-O 3.42Å; P155-K178 HydrophobicContact CG-CD 3.86Å; P155-L183 HydrophobicContact CG-CD2 4.38Å
156	T	98.8	Very high	98.1	Very high	78 Å²	78	43.6 Å²	43.6	48%	0.479	29%	0.286	S	S	.	.			trans	-66.8	161.6	165.4	52.1	0	0	0	0	111.4	G138 D139 K178	G138-T156 CarbonylContact O-C 3.5Å; G138-T156 WeakPolarHBondContact O-CA 3.25Å; G138-T156 WeakPolarHBondContact O-CB 3.13Å; D139-T156 VanDerWaalsContact O-CG2 3.26Å; D139-T156 WeakPolarHBondContact O-CG2 3.4Å; T156-K178 PolarHBondContact O-NZ 3Å
157	F	98.8	Very high	98.2	Very high	6 Å²	6	41.9 Å²	41.9	3%	0.026	27%	0.274	C	S	.	.			trans	-141.1	148.6	177.1	60.6	-104.6	0	0	0	113.6	I103 M112 I114 Y136 G138 D161 I163	I103-F157 HydrophobicContact CD1-CD2 3.89Å; I103-F157 HydrophobicContact CD1-CE2 3.93Å; I103-F157 HydrophobicContact CG1-CD2 4.01Å; M112-F157 HydrophobicContact CB-CE2 4.41Å; M112-F157 HydrophobicContact CE-CD2 4.45Å; M112-F157 HydrophobicContact CE-CE2 4.43Å; I114-F157 HydrophobicContact CD1-CE2 3.75Å; I114-F157 HydrophobicContact CD1-CZ 3.78Å; I114-F157 HydrophobicContact CG1-CE2 4.5Å; I114-F157 HydrophobicContact CG1-CZ 4.28Å; Y136-F157 HydrophobicContact CD1-CD1 4.33Å; Y136-F157 AromaticContact CD1-CE1 3.77Å; Y136-F157 HydrophobicContact CD1-CE1 3.77Å; Y136-F157 HydrophobicContact CD2-CE1 4.09Å; Y136-F157 AromaticContact CE1-CD1 3.77Å; Y136-F157 HydrophobicContact CE1-CD1 3.77Å; Y136-F157 AromaticContact CE1-CE1 3.69Å; Y136-F157 HydrophobicContact CE1-CE1 3.69Å; Y136-F157 HydrophobicContact CE2-CD1 4.13Å; Y136-F157 AromaticContact CE2-CE1 3.99Å; Y136-F157 HydrophobicContact CE2-CE1 3.99Å; Y136-F157 AromaticContact CG-CE1 3.98Å; Y136-F157 HydrophobicContact CG-CE1 3.98Å; Y136-F157 AromaticContact CZ-CD1 3.64Å; Y136-F157 AromaticContact CZ-CE1 3.79Å; G138-F157 VanDerWaalsContact CA-CE1 3.49Å; G138-F157 VanDerWaalsContact CA-CE2 3.45Å; G138-F157 VanDerWaalsContact N-CZ 3.3Å; G138-F157 PolarHBondContact O-N 3.01Å; F157-D161 VanDerWaalsContact CA-OD2 3.3Å; F157-D161 WeakPolarHBondContact CA-OD2 3.39Å; F157-D161 HydrophobicContact CB-CB 4.23Å; F157-I163 HydrophobicContact CB-CD1 3.7Å; F157-I163 HydrophobicContact CB-CG1 4.04Å; F157-I163 HydrophobicContact CD1-CD1 3.78Å; F157-I163 HydrophobicContact CD1-CG1 3.84Å; F157-I163 HydrophobicContact CD2-CD1 4.46Å; F157-I163 HydrophobicContact CD2-CG1 3.89Å; F157-I163 HydrophobicContact CE1-CG1 4.22Å; F157-I163 HydrophobicContact CE2-CG1 4.27Å; F157-I163 HydrophobicContact CG-CD1 3.75Å; F157-I163 HydrophobicContact CG-CG1 3.67Å; F157-I163 HydrophobicContact CZ-CG1 4.42Å
158	T	98.8	Very high	98.3	Very high	65 Å²	65	39.7 Å²	39.7	40%	0.399	26%	0.259	S	S	.	.			trans	-151	-178.2	-164.7	-165.9	0	0	0	0	112.4	I103 K106 G160 D161	I103-T158 VanDerWaalsContact CB-O 3.32Å; I103-T158 WeakPolarHBondContact CB-O 3.42Å; K106-T158 WeakPolarHBondContact CG-OG1 3.38Å; T158-G160 PolarHBondContact O-N 3.06Å; T158-D161 PolarHBondContact N-OD2 3.29Å; T158-D161 WeakPolarHBondContact O-CB 3.33Å; T158-D161 PolarHBondContact O-N 3.4Å
159	T	98.8	Very high	98.5	Very high	76 Å²	76	38.3 Å²	38.3	47%	0.466	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.3	122.2	179.1	-56	0	0	0	0	112.2	K106	K106-T159 PolarHBondContact N-OG1 3.35Å
160	G	98.7	Very high	98.5	Very high	48 Å²	48	35.4 Å²	35.4	50%	0.495	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	103.6	-28.3	-179	0	0	0	0	0	114.2	I103 T158	I103-G160 PolarHBondContact O-N 2.86Å; T158-G160 PolarHBondContact O-N 3.06Å
161	D	98.9	Very high	98.4	Very high	19 Å²	19	37.9 Å²	37.9	10%	0.102	23%	0.23	C	C	.	.			trans	-65.3	150.6	179.2	-72.5	-45.2	0	0	0	112.3	I103 F157 T158 K178 N179	I103-D161 HydrophobicContact CG1-CB 4.37Å; I103-D161 PolarHBondContact N-O 3.1Å; F157-D161 VanDerWaalsContact CA-OD2 3.3Å; F157-D161 WeakPolarHBondContact CA-OD2 3.39Å; F157-D161 HydrophobicContact CB-CB 4.23Å; T158-D161 PolarHBondContact N-OD2 3.29Å; T158-D161 WeakPolarHBondContact O-CB 3.33Å; T158-D161 PolarHBondContact O-N 3.4Å; D161-K178 VanDerWaalsContact CG-NZ 3.31Å; D161-K178 WeakPolarHBondContact OD1-CE 3.41Å; D161-K178 IonicContact OD1-NZ 3.44Å; D161-K178 PolarHBondContact OD1-NZ 2.86Å; D161-K178 WeakPolarHBondContact OD2-CE 3.01Å; D161-K178 IonicContact OD2-NZ 3.41Å; D161-K178 PolarHBondContact OD2-NZ 3.17Å; D161-N179 WeakPolarHBondContact CA-OD1 3.26Å; D161-N179 PolarHBondContact OD1-ND2 3Å
162	V	98.9	Very high	98.4	Very high	17 Å²	17	35.4 Å²	35.4	10%	0.103	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	122.2	168.2	-179.2	0	0	0	0	108.2	E100 K102 N179 V217	E100-V162 HydrophobicContact CB-CG1 3.88Å; E100-V162 HydrophobicContact CG-CG1 4Å; K102-V162 HydrophobicContact CB-CG2 4.1Å; K102-V162 HydrophobicContact CD-CG2 4.2Å; K102-V162 HydrophobicContact CG-CG2 3.94Å; V162-N179 PolarHBondContact N-OD1 3.44Å; V162-N179 PolarHBondContact O-N 3.5Å; V162-N179 PolarHBondContact O-OD1 3Å; V162-V217 HydrophobicContact CB-CG2 4.24Å; V162-V217 HydrophobicContact CG1-CG2 3.96Å; V162-V217 HydrophobicContact CG2-CG2 4.21Å
163	I	98.9	Very high	98.4	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	117	179.2	-57	-59.1	0	0	0	109.1	V101 I114 Y136 F157 Y176 T177 K178	V101-I163 PolarHBondContact N-O 2.86Å; V101-I163 PolarHBondContact O-N 2.94Å; I114-I163 HydrophobicContact CD1-CB 3.71Å; I114-I163 HydrophobicContact CD1-CG1 4.1Å; I114-I163 HydrophobicContact CD1-CG2 3.91Å; Y136-I163 HydrophobicContact CD1-CG2 3.87Å; Y136-I163 HydrophobicContact CE1-CD1 4.27Å; Y136-I163 HydrophobicContact CE1-CG2 3.9Å; F157-I163 HydrophobicContact CB-CD1 3.7Å; F157-I163 HydrophobicContact CB-CG1 4.04Å; F157-I163 HydrophobicContact CD1-CD1 3.78Å; F157-I163 HydrophobicContact CD1-CG1 3.84Å; F157-I163 HydrophobicContact CD2-CD1 4.46Å; F157-I163 HydrophobicContact CD2-CG1 3.89Å; F157-I163 HydrophobicContact CE1-CG1 4.22Å; F157-I163 HydrophobicContact CE2-CG1 4.27Å; F157-I163 HydrophobicContact CG-CD1 3.75Å; F157-I163 HydrophobicContact CG-CG1 3.67Å; F157-I163 HydrophobicContact CZ-CG1 4.42Å; I163-Y176 HydrophobicContact CG2-CD1 4.21Å; I163-T177 VanDerWaalsContact CA-O 3.32Å; I163-T177 WeakPolarHBondContact CA-O 3.49Å; I163-K178 HydrophobicContact CD1-CB 3.88Å; I163-K178 HydrophobicContact CD1-CD 4.1Å; I163-K178 HydrophobicContact CD1-CG 3.74Å
164	G	98.9	Very high	98.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	155	173.4	0	0	0	0	0	112.4	Y98 F99 Y176 T177	Y98-G164 WeakPolarHBondContact OH-CA 3.5Å; F99-G164 WeakPolarHBondContact O-CA 3.37Å; G164-Y176 CarbonylContact O-C 3.54Å; G164-Y176 WeakPolarHBondContact O-CA 3.46Å; G164-Y176 WeakPolarHBondContact O-CB 3.34Å; G164-Y176 VanDerWaalsContact O-CD1 3.3Å; G164-Y176 WeakPolarHBondContact O-CD1 3.35Å; G164-T177 WeakPolarHBondContact CA-OG1 3.44Å; G164-T177 PolarHBondContact N-O 2.88Å; G164-T177 PolarHBondContact N-OG1 3.31Å; G164-T177 VanDerWaalsContact N-OG1 3.13Å; G164-T177 PolarHBondContact O-N 2.96Å
165	C	98.9	Very high	98.4	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	112.6	174.7	177.8	0	0	0	0	108.3	Y98 F99 C174 Y176	Y98-C165 WeakPolarHBondContact CD2-O 3.48Å; F99-C165 HydrophobicContact CD1-CB 3.97Å; F99-C165 HydrophobicContact CE1-CB 3.42Å; F99-C165 VanDerWaalsContact CE1-CB 3.42Å; F99-C165 HydrophobicContact CE2-CB 4.46Å; F99-C165 HydrophobicContact CZ-CB 3.7Å; F99-C165 PolarHBondContact N-O 3.32Å; F99-C165 PolarHBondContact O-N 2.93Å; C165-C174 VanDerWaalsContact SG-SG 3.69Å; C165-Y176 HydrophobicContact CB-CD1 3.9Å; C165-Y176 HydrophobicContact CB-CE1 3.8Å
166	C	98.9	Very high	98.5	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	117.2	-177.5	-169.4	0	0	0	0	110.3	V96 Y97 Y98 C174 F175	V96-C166 WeakPolarHBondContact CG1-SG 3.48Å; Y97-C166 WeakPolarHBondContact O-CA 3.44Å; Y98-C166 HydrophobicContact CD2-CB 3.65Å; Y98-C166 HydrophobicContact CE2-CB 4.14Å; C166-C174 VanDerWaalsContact O-CA 3.23Å; C166-C174 WeakPolarHBondContact O-CA 3.45Å; C166-C174 PolarHBondContact O-SG 3.29Å; C166-F175 HydrophobicContact CB-CD1 3.8Å; C166-F175 HydrophobicContact CB-CD2 4.06Å; C166-F175 HydrophobicContact CB-CE1 3.42Å; C166-F175 VanDerWaalsContact CB-CE1 3.42Å; C166-F175 HydrophobicContact CB-CE2 3.72Å; C166-F175 HydrophobicContact CB-CG 4.11Å; C166-F175 HydrophobicContact CB-CZ 3.38Å; C166-F175 PolarHBondContact N-O 3.38Å; C166-F175 PolarHBondContact O-N 2.95Å; C166-F175 WeakPolarHBondContact SG-CE1 3.31Å; C166-F175 WeakPolarHBondContact SG-CZ 3.35Å
167	V	98.8	Very high	98.5	Very high	4 Å²	4	21.2 Å²	21.2	2%	0.024	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	117.7	-178.9	-167.5	0	0	0	0	108.9	I90 V96 Y97 L116 L169 L190	I90-V167 HydrophobicContact CD1-CB 4.18Å; I90-V167 HydrophobicContact CD1-CG1 4.42Å; I90-V167 HydrophobicContact CD1-CG2 3.74Å; V96-V167 CarbonylContact C-O 3.6Å; V96-V167 WeakPolarHBondContact CA-O 3.26Å; Y97-V167 PolarHBondContact N-O 3.27Å; Y97-V167 PolarHBondContact O-N 2.98Å; L116-V167 HydrophobicContact CD1-CG1 4.31Å; L116-V167 HydrophobicContact CD1-CG2 3.7Å; L116-V167 HydrophobicContact CD2-CG2 3.8Å; L116-V167 HydrophobicContact CG-CG2 4.32Å; V167-L169 HydrophobicContact CG1-CD2 3.83Å; V167-L169 HydrophobicContact CG1-CG 4.46Å; V167-L190 HydrophobicContact CG1-CD1 4.25Å
168	N	98.3	Very high	98.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	112.7	177.1	-173.6	-32.6	0	0	0	109.3	V96 I170 N171 N172 T173 Y223 W227	V96-N168 HydrophobicContact CG2-CB 4.48Å; N168-I170 VanDerWaalsContact C-N 3.34Å; N168-I170 VanDerWaalsContact OD1-CB 3.24Å; N168-I170 WeakPolarHBondContact OD1-CB 3.32Å; N168-I170 PolarHBondContact OD1-N 3.14Å; N168-N171 WeakPolarHBondContact CB-OD1 3.43Å; N168-N171 PolarHBondContact OD1-N 3.3Å; N168-N171 PolarHBondContact OD1-OD1 2.81Å; N168-N172 CarbonylContact O-C 3.58Å; N168-N172 WeakPolarHBondContact O-CA 3.44Å; N168-N172 PolarHBondContact O-N 2.92Å; N168-T173 PolarHBondContact N-O 3.32Å; N168-T173 PolarHBondContact O-N 3.14Å; N168-T173 VanDerWaalsContact O-N 3.09Å; N168-Y223 PolarHBondContact ND2-OH 3.2Å; N168-W227 WeakPolarHBondContact ND2-CZ2 3.39Å; N168-W227 PolarHBondContact ND2-NE1 3.47Å
169	L	97.8	Very high	98.5	Very high	21 Å²	21	23 Å²	23	11%	0.11	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	2.3	-174.2	-52.8	163.4	0	0	0	111.7	I90 P91 C94 G95 V167 G589	I90-L169 HydrophobicContact CG2-CD1 3.61Å; I90-L169 HydrophobicContact CG2-CD2 4.44Å; P91-L169 VanDerWaalsContact O-CD1 3.3Å; P91-L169 WeakPolarHBondContact O-CD1 3.42Å; C94-L169 HydrophobicContact CB-CD1 4.05Å; G95-L169 WeakPolarHBondContact O-CA 3.42Å; G95-L169 WeakPolarHBondContact O-CB 3.32Å; G95-L169 PolarHBondContact O-N 3.13Å; V167-L169 HydrophobicContact CG1-CD2 3.83Å; V167-L169 HydrophobicContact CG1-CG 4.46Å; L169-G589 VanDerWaalsContact O-CA 3.31Å; L169-G589 WeakPolarHBondContact O-CA 3.34Å; L169-G589 PolarHBondContact O-N 2.79Å
170	I	96.3	Very high	98.5	Very high	40 Å²	40	20.3 Å²	20.3	21%	0.205	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-43.8	173.7	-56.3	170.6	0	0	0	109.6	N168 W227 I231 F593	N168-I170 VanDerWaalsContact C-N 3.34Å; N168-I170 VanDerWaalsContact OD1-CB 3.24Å; N168-I170 WeakPolarHBondContact OD1-CB 3.32Å; N168-I170 PolarHBondContact OD1-N 3.14Å; I170-W227 HydrophobicContact CB-CE3 4.44Å; I170-W227 HydrophobicContact CB-CZ3 4.24Å; I170-W227 HydrophobicContact CD1-CD2 4.32Å; I170-W227 HydrophobicContact CD1-CE3 3.71Å; I170-W227 HydrophobicContact CD1-CZ3 4.35Å; I170-W227 HydrophobicContact CG2-CE3 4.25Å; I170-W227 HydrophobicContact CG2-CZ3 3.85Å; I170-I231 HydrophobicContact CD1-CG1 4.32Å; I170-I231 HydrophobicContact CG2-CD1 4Å; I170-F593 HydrophobicContact CD1-CD2 3.56Å; I170-F593 HydrophobicContact CD1-CE2 3.61Å
171	N	96.4	Very high	98.5	Very high	64 Å²	64	24.7 Å²	24.7	34%	0.342	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	7.4	179.7	69.2	1.8	0	0	0	114	N168 T173 W227	N168-N171 WeakPolarHBondContact CB-OD1 3.43Å; N168-N171 PolarHBondContact OD1-N 3.3Å; N168-N171 PolarHBondContact OD1-OD1 2.81Å; N171-T173 VanDerWaalsContact C-N 3.3Å; N171-T173 HydrophobicContact CB-CG2 4.48Å; N171-T173 PolarHBondContact O-N 3.01Å; N171-T173 WeakPolarHBondContact OD1-CB 3.42Å; N171-T173 WeakPolarHBondContact OD1-CG2 3.39Å; N171-T173 PolarHBondContact OD1-N 3.18Å; N171-T173 PolarHBondContact OD1-OG1 3.24Å; N171-W227 HydrophobicContact CB-CH2 4.4Å; N171-W227 WeakPolarHBondContact ND2-CH2 3.29Å
172	N	97.6	Very high	98.4	Very high	66 Å²	66	26.8 Å²	26.8	35%	0.353	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	38.3	178.9	-55.9	-45.1	0	0	0	114.2	N168 T188 D189 L190	N168-N172 CarbonylContact O-C 3.58Å; N168-N172 WeakPolarHBondContact O-CA 3.44Å; N168-N172 PolarHBondContact O-N 2.92Å; N172-T188 CarbonylContact O-C 3.58Å; N172-D189 PolarHBondContact O-N 3.23Å; N172-D189 VanDerWaalsContact O-N 3.08Å; N172-L190 HydrophobicContact CB-CB 4.47Å; N172-L190 WeakPolarHBondContact O-CB 3.22Å; N172-L190 WeakPolarHBondContact O-CG 3.42Å; N172-L190 PolarHBondContact O-N 3.48Å
173	T	98.6	Very high	98.4	Very high	11 Å²	11	28.2 Å²	28.2	7%	0.067	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	161.4	177.5	65.7	0	0	0	0	112.5	N168 N171 I185 F187 T188	N168-T173 PolarHBondContact N-O 3.32Å; N168-T173 PolarHBondContact O-N 3.14Å; N168-T173 VanDerWaalsContact O-N 3.09Å; N171-T173 VanDerWaalsContact C-N 3.3Å; N171-T173 HydrophobicContact CB-CG2 4.48Å; N171-T173 PolarHBondContact O-N 3.01Å; N171-T173 WeakPolarHBondContact OD1-CB 3.42Å; N171-T173 WeakPolarHBondContact OD1-CG2 3.39Å; N171-T173 PolarHBondContact OD1-N 3.18Å; N171-T173 PolarHBondContact OD1-OG1 3.24Å; T173-I185 HydrophobicContact CG2-CD1 4.44Å; T173-F187 CarbonylContact C-O 3.52Å; T173-F187 VanDerWaalsContact CA-O 3.23Å; T173-F187 WeakPolarHBondContact CA-O 3.35Å; T173-F187 WeakPolarHBondContact CB-O 3.25Å; T173-T188 HydrophobicContact CG2-CG2 4.09Å
174	C	98.8	Very high	98.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	139.8	169.4	171.7	0	0	0	0	111.1	L116 C165 C166 A186 F187 L190	L116-C174 HydrophobicContact CD1-CB 4.48Å; C165-C174 VanDerWaalsContact SG-SG 3.69Å; C166-C174 VanDerWaalsContact O-CA 3.23Å; C166-C174 WeakPolarHBondContact O-CA 3.45Å; C166-C174 PolarHBondContact O-SG 3.29Å; C174-A186 PolarHBondContact O-N 3.01Å; C174-F187 HydrophobicContact CB-CD2 4.15Å; C174-F187 PolarHBondContact N-O 3.38Å; C174-F187 PolarHBondContact O-N 2.66Å; C174-L190 HydrophobicContact CB-CD1 3.53Å
175	F	98.9	Very high	98.4	Very high	9 Å²	9	34.7 Å²	34.7	4%	0.039	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	152.3	167.6	67.8	-87.5	0	0	0	110.3	C166 T177 S182 G184 F218 Y223	C166-F175 HydrophobicContact CB-CD1 3.8Å; C166-F175 HydrophobicContact CB-CD2 4.06Å; C166-F175 HydrophobicContact CB-CE1 3.42Å; C166-F175 VanDerWaalsContact CB-CE1 3.42Å; C166-F175 HydrophobicContact CB-CE2 3.72Å; C166-F175 HydrophobicContact CB-CG 4.11Å; C166-F175 HydrophobicContact CB-CZ 3.38Å; C166-F175 PolarHBondContact N-O 3.38Å; C166-F175 PolarHBondContact O-N 2.95Å; C166-F175 WeakPolarHBondContact SG-CE1 3.31Å; C166-F175 WeakPolarHBondContact SG-CZ 3.35Å; F175-T177 HydrophobicContact CD2-CG2 4.22Å; F175-T177 HydrophobicContact CE2-CG2 3.88Å; F175-S182 WeakPolarHBondContact CD2-OG 3.42Å; F175-S182 WeakPolarHBondContact CE2-OG 3.31Å; F175-G184 WeakPolarHBondContact CB-O 3.32Å; F175-F218 HydrophobicContact CE2-CE1 4.16Å; F175-F218 HydrophobicContact CE2-CZ 4.02Å; F175-F218 HydrophobicContact CZ-CE1 4.09Å; F175-F218 HydrophobicContact CZ-CZ 4.11Å; F175-Y223 HydrophobicContact CE1-CD1 4.48Å; F175-Y223 HydrophobicContact CE1-CD2 4.41Å; F175-Y223 AromaticContact CE1-CE1 3.86Å; F175-Y223 HydrophobicContact CE1-CE1 3.86Å; F175-Y223 AromaticContact CE1-CE2 3.77Å; F175-Y223 HydrophobicContact CE1-CE2 3.77Å; F175-Y223 AromaticContact CE1-CZ 3.46Å; F175-Y223 VanDerWaalsContact CE1-CZ 3.46Å; F175-Y223 HydrophobicContact CZ-CD1 4.39Å; F175-Y223 HydrophobicContact CZ-CD2 4.14Å; F175-Y223 HydrophobicContact CZ-CE1 4.22Å; F175-Y223 AromaticContact CZ-CE2 3.94Å; F175-Y223 HydrophobicContact CZ-CE2 3.94Å; F175-Y223 HydrophobicContact CZ-CG 4.35Å; F175-Y223 AromaticContact CZ-CZ 3.98Å
176	Y	98.9	Very high	98.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	159	171.1	-64.2	-91.8	0	0	0	111	I114 G115 Y136 Y153 I163 G164 C165 L183 A186 F187	I114-Y176 HydrophobicContact CG2-CE1 4.42Å; I114-Y176 WeakPolarHBondContact O-CE1 3.38Å; I114-Y176 PolarHBondContact O-OH 3Å; I114-Y176 VanDerWaalsContact O-OH 3.07Å; G115-Y176 WeakPolarHBondContact CA-OH 3.45Å; Y136-Y176 AromaticContact CD1-CD1 3.73Å; Y136-Y176 HydrophobicContact CD1-CD1 3.73Å; Y136-Y176 HydrophobicContact CD1-CD2 4.03Å; Y136-Y176 HydrophobicContact CD1-CE1 4.39Å; Y136-Y176 AromaticContact CD1-CG 3.53Å; Y136-Y176 HydrophobicContact CD1-CG 3.53Å; Y136-Y176 HydrophobicContact CE1-CG 4.37Å; Y136-Y176 HydrophobicContact CG-CD1 4.37Å; Y136-Y176 HydrophobicContact CG-CD2 4.15Å; Y136-Y176 HydrophobicContact CG-CE2 4.46Å; Y136-Y176 HydrophobicContact CG-CG 4.11Å; Y153-Y176 AromaticContact CE1-CD2 3.65Å; Y153-Y176 HydrophobicContact CE1-CD2 3.65Å; Y153-Y176 HydrophobicContact CE1-CG 4.26Å; Y153-Y176 PolarHBondContact OH-N 2.93Å; I163-Y176 HydrophobicContact CG2-CD1 4.21Å; G164-Y176 CarbonylContact O-C 3.54Å; G164-Y176 WeakPolarHBondContact O-CA 3.46Å; G164-Y176 WeakPolarHBondContact O-CB 3.34Å; G164-Y176 VanDerWaalsContact O-CD1 3.3Å; G164-Y176 WeakPolarHBondContact O-CD1 3.35Å; C165-Y176 HydrophobicContact CB-CD1 3.9Å; C165-Y176 HydrophobicContact CB-CE1 3.8Å; Y176-L183 WeakPolarHBondContact O-CB 3.25Å; Y176-L183 PolarHBondContact O-N 3.15Å; Y176-A186 HydrophobicContact CD2-CB 3.83Å; Y176-A186 HydrophobicContact CE2-CB 3.81Å; Y176-F187 HydrophobicContact CE2-CD2 4.49Å; Y176-F187 AromaticContact CE2-CE2 3.71Å; Y176-F187 HydrophobicContact CE2-CE2 3.71Å; Y176-F187 HydrophobicContact CE2-CZ 4.34Å
177	T	98.9	Very high	98.4	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	154.2	168.2	72.6	0	0	0	0	109.4	Y98 I163 G164 F175 H181 F218	Y98-T177 HydrophobicContact CE2-CG2 4.02Å; Y98-T177 PolarHBondContact OH-OG1 3.2Å; I163-T177 VanDerWaalsContact CA-O 3.32Å; I163-T177 WeakPolarHBondContact CA-O 3.49Å; G164-T177 WeakPolarHBondContact CA-OG1 3.44Å; G164-T177 PolarHBondContact N-O 2.88Å; G164-T177 PolarHBondContact N-OG1 3.31Å; G164-T177 VanDerWaalsContact N-OG1 3.13Å; G164-T177 PolarHBondContact O-N 2.96Å; F175-T177 HydrophobicContact CD2-CG2 4.22Å; F175-T177 HydrophobicContact CE2-CG2 3.88Å; T177-H181 CarbonylContact C-O 3.5Å; T177-H181 WeakPolarHBondContact CA-O 3.42Å; T177-H181 VanDerWaalsContact CB-O 3.32Å; T177-H181 WeakPolarHBondContact CB-O 3.29Å; T177-F218 HydrophobicContact CG2-CB 4.15Å; T177-F218 HydrophobicContact CG2-CD1 4.07Å; T177-F218 HydrophobicContact CG2-CD2 3.87Å; T177-F218 HydrophobicContact CG2-CE1 4.44Å; T177-F218 HydrophobicContact CG2-CE2 4.26Å; T177-F218 HydrophobicContact CG2-CG 3.78Å
178	K	98.9	Very high	98.3	Very high	39 Å²	39	39.5 Å²	39.5	17%	0.17	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	123	166	-179	169.2	-169.3	-179.5	0	109.4	P155 T156 D161 I163 G180 H181 L183	P155-K178 HydrophobicContact CG-CD 3.86Å; T156-K178 PolarHBondContact O-NZ 3Å; D161-K178 VanDerWaalsContact CG-NZ 3.31Å; D161-K178 WeakPolarHBondContact OD1-CE 3.41Å; D161-K178 IonicContact OD1-NZ 3.44Å; D161-K178 PolarHBondContact OD1-NZ 2.86Å; D161-K178 WeakPolarHBondContact OD2-CE 3.01Å; D161-K178 IonicContact OD2-NZ 3.41Å; D161-K178 PolarHBondContact OD2-NZ 3.17Å; I163-K178 HydrophobicContact CD1-CB 3.88Å; I163-K178 HydrophobicContact CD1-CD 4.1Å; I163-K178 HydrophobicContact CD1-CG 3.74Å; K178-G180 PolarHBondContact O-N 3.43Å; K178-G180 VanDerWaalsContact O-N 3.13Å; K178-H181 PolarHBondContact N-O 3.3Å; K178-H181 PolarHBondContact O-N 3.08Å; K178-L183 HydrophobicContact CB-CD1 4.16Å; K178-L183 HydrophobicContact CB-CD2 4.24Å; K178-L183 HydrophobicContact CB-CG 4.44Å
179	N	98.8	Very high	98.3	Very high	70 Å²	70	45.9 Å²	45.9	37%	0.374	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	38.5	175.8	-57.3	-25.8	0	0	0	113.6	D161 V162	D161-N179 WeakPolarHBondContact CA-OD1 3.26Å; D161-N179 PolarHBondContact OD1-ND2 3Å; V162-N179 PolarHBondContact N-OD1 3.44Å; V162-N179 PolarHBondContact O-N 3.5Å; V162-N179 PolarHBondContact O-OD1 3Å
180	G	98.4	Very high	98.3	Very high	19 Å²	19	45.3 Å²	45.3	20%	0.196	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	-0.2	-179.5	0	0	0	0	0	116	K178 F218	K178-G180 PolarHBondContact O-N 3.43Å; K178-G180 VanDerWaalsContact O-N 3.13Å; G180-F218 WeakPolarHBondContact O-CD2 3.33Å
181	H	98.7	Very high	98.2	Very high	140 Å²	140	45.2 Å²	45.2	65%	0.648	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.4	134.4	177.3	-59.3	-75.8	0	0	0	111.7	T177 K178	T177-H181 CarbonylContact C-O 3.5Å; T177-H181 WeakPolarHBondContact CA-O 3.42Å; T177-H181 VanDerWaalsContact CB-O 3.32Å; T177-H181 WeakPolarHBondContact CB-O 3.29Å; K178-H181 PolarHBondContact N-O 3.3Å; K178-H181 PolarHBondContact O-N 3.08Å
182	S	98.6	Very high	98.1	Very high	63 Å²	63	46 Å²	46	44%	0.441	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	141.8	175.3	-178.3	0	0	0	0	111.9	F175 G184	F175-S182 WeakPolarHBondContact CD2-OG 3.42Å; F175-S182 WeakPolarHBondContact CE2-OG 3.31Å; S182-G184 PolarHBondContact OG-N 3.1Å
183	L	98.8	Very high	98	Very high	46 Å²	46	47.8 Å²	47.8	24%	0.241	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	8.1	179.1	-57.4	177.6	0	0	0	113	Y136 Y153 P155 Y176 K178	Y136-L183 HydrophobicContact CE1-CD1 3.61Å; Y136-L183 WeakPolarHBondContact OH-CD1 3.45Å; Y153-L183 HydrophobicContact CE1-CB 4.25Å; Y153-L183 HydrophobicContact CE1-CD1 4.34Å; Y153-L183 WeakPolarHBondContact OH-CB 3.48Å; P155-L183 HydrophobicContact CG-CD2 4.38Å; Y176-L183 WeakPolarHBondContact O-CB 3.25Å; Y176-L183 PolarHBondContact O-N 3.15Å; K178-L183 HydrophobicContact CB-CD1 4.16Å; K178-L183 HydrophobicContact CB-CD2 4.24Å; K178-L183 HydrophobicContact CB-CG 4.44Å
184	G	98.5	Very high	98	Very high	36 Å²	36	47.6 Å²	47.6	37%	0.371	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	76.6	172	-175.7	0	0	0	0	0	113.7	Y153 F175 S182 A186	Y153-G184 WeakPolarHBondContact CE2-O 3.5Å; Y153-G184 PolarHBondContact OH-O 3.47Å; F175-G184 WeakPolarHBondContact CB-O 3.32Å; S182-G184 PolarHBondContact OG-N 3.1Å; G184-A186 PolarHBondContact O-N 3.13Å
185	I	98.8	Very high	98	Very high	100 Å²	100	48.7 Å²	48.7	51%	0.513	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	124.1	-172.6	-62.8	172.4	0	0	0	110.7	T173 F187 T188	T173-I185 HydrophobicContact CG2-CD1 4.44Å; I185-F187 VanDerWaalsContact CG2-O 3.3Å; I185-F187 WeakPolarHBondContact CG2-O 3.44Å; I185-T188 HydrophobicContact CG2-CG2 4.19Å
186	A	98.6	Very high	98	Very high	19 Å²	19	48.3 Å²	48.3	16%	0.157	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-38.6	173.3	0	0	0	0	0	112.2	Y153 C174 Y176 G184	Y153-A186 HydrophobicContact CD2-CB 4.12Å; Y153-A186 HydrophobicContact CE1-CB 4.08Å; Y153-A186 HydrophobicContact CE2-CB 3.66Å; C174-A186 PolarHBondContact O-N 3.01Å; Y176-A186 HydrophobicContact CD2-CB 3.83Å; Y176-A186 HydrophobicContact CE2-CB 3.81Å; G184-A186 PolarHBondContact O-N 3.13Å
187	F	98.6	Very high	98	Very high	8 Å²	8	48.3 Å²	48.3	4%	0.035	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	145.7	-173.7	-46	-60.6	0	0	0	111.9	Y134 C145 T173 C174 Y176 I185 L190	Y134-F187 HydrophobicContact CD1-CB 4.44Å; Y134-F187 HydrophobicContact CD1-CD1 4.17Å; Y134-F187 HydrophobicContact CD1-CD2 4.24Å; Y134-F187 HydrophobicContact CD1-CG 4.01Å; Y134-F187 HydrophobicContact CG-CD2 4.43Å; C145-F187 HydrophobicContact CB-CD1 3.73Å; C145-F187 HydrophobicContact CB-CE1 3.71Å; T173-F187 CarbonylContact C-O 3.52Å; T173-F187 VanDerWaalsContact CA-O 3.23Å; T173-F187 WeakPolarHBondContact CA-O 3.35Å; T173-F187 WeakPolarHBondContact CB-O 3.25Å; C174-F187 HydrophobicContact CB-CD2 4.15Å; C174-F187 PolarHBondContact N-O 3.38Å; C174-F187 PolarHBondContact O-N 2.66Å; Y176-F187 HydrophobicContact CE2-CD2 4.49Å; Y176-F187 AromaticContact CE2-CE2 3.71Å; Y176-F187 HydrophobicContact CE2-CE2 3.71Å; Y176-F187 HydrophobicContact CE2-CZ 4.34Å; I185-F187 VanDerWaalsContact CG2-O 3.3Å; I185-F187 WeakPolarHBondContact CG2-O 3.44Å; F187-L190 HydrophobicContact CB-CD2 3.88Å; F187-L190 HydrophobicContact CB-CG 4.35Å
188	T	98.2	Very high	98	Very high	78 Å²	78	48.3 Å²	48.3	48%	0.479	28%	0.278	S	S	.	.			trans	-115.6	176.3	167.6	60.8	0	0	0	0	109.8	N172 T173 I185 L190	N172-T188 CarbonylContact O-C 3.58Å; T173-T188 HydrophobicContact CG2-CG2 4.09Å; I185-T188 HydrophobicContact CG2-CG2 4.19Å; T188-L190 PolarHBondContact O-N 2.84Å; T188-L190 VanDerWaalsContact O-N 3.08Å
189	D	97	Very high	98	Very high	135 Å²	135	46.5 Å²	46.5	72%	0.722	27%	0.27	S	S	*	.	S	Bend	trans	55.9	32.9	168.4	-50.7	-74.7	0	0	0	114.1	N172	N172-D189 PolarHBondContact O-N 3.23Å; N172-D189 VanDerWaalsContact O-N 3.08Å
190	L	97.4	Very high	98	Very high	9 Å²	9	43.1 Å²	43.1	5%	0.047	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-66	136.3	-178	-68.4	179.2	0	0	0	111.8	L116 Y134 V167 N172 C174 F187 T188 L194	L116-L190 HydrophobicContact CD1-CD1 4.09Å; Y134-L190 HydrophobicContact CD1-CD2 3.57Å; Y134-L190 HydrophobicContact CD2-CD2 4.01Å; Y134-L190 HydrophobicContact CE1-CD2 3.48Å; Y134-L190 VanDerWaalsContact CE1-CD2 3.48Å; Y134-L190 HydrophobicContact CE2-CD2 3.96Å; Y134-L190 HydrophobicContact CG-CD2 3.84Å; V167-L190 HydrophobicContact CG1-CD1 4.25Å; N172-L190 HydrophobicContact CB-CB 4.47Å; N172-L190 WeakPolarHBondContact O-CB 3.22Å; N172-L190 WeakPolarHBondContact O-CG 3.42Å; N172-L190 PolarHBondContact O-N 3.48Å; C174-L190 HydrophobicContact CB-CD1 3.53Å; F187-L190 HydrophobicContact CB-CD2 3.88Å; F187-L190 HydrophobicContact CB-CG 4.35Å; T188-L190 PolarHBondContact O-N 2.84Å; T188-L190 VanDerWaalsContact O-N 3.08Å; L190-L194 HydrophobicContact CB-CD1 4.14Å; L190-L194 HydrophobicContact CD1-CD1 4.44Å; L190-L194 HydrophobicContact CD2-CD1 4.19Å
191	P	95.9	Very high	98	Very high	37 Å²	37	42.8 Å²	42.8	24%	0.24	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-69.6	153.2	171.7	30.4	-35.7	0	0	0	111.1	Y134 L194	Y134-P191 HydrophobicContact CE2-CG 4.22Å; Y134-P191 WeakPolarHBondContact OH-CD 3.48Å; P191-L194 HydrophobicContact CG-CD1 4.29Å; P191-L194 HydrophobicContact CG-CD2 4.15Å; P191-L194 HydrophobicContact CG-CG 4.27Å; P191-L194 WeakPolarHBondContact O-CD1 3.42Å; P191-L194 WeakPolarHBondContact O-CG 3.5Å
192	P	93.9	Very high	98	Very high	82 Å²	82	36.2 Å²	36.2	53%	0.532	22%	0.215	S	C	.	.	S	Bend	trans	-69.2	169.5	173.4	31	-36.5	0	0	0	112	L194	P192-L194 VanDerWaalsContact C-N 3.29Å; P192-L194 PolarHBondContact O-N 3.29Å
193	N	95.3	Very high	98	Very high	103 Å²	103	35.8 Å²	35.8	55%	0.551	21%	0.211	S	C	*	.	S	Bend	trans	61.2	30.5	175.4	-53.1	-52.7	0	0	0	114.9	P89	P89-N193 HydrophobicContact CB-CB 4.16Å; P89-N193 WeakPolarHBondContact CB-O 3.49Å
194	L	98.5	Very high	98	Very high	6 Å²	6	35.5 Å²	35.5	3%	0.031	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-71.3	145.3	169.4	-71.4	172.5	0	0	0	111.4	P89 I90 L116 A118 Y134 L190 P191 P192	P89-L194 WeakPolarHBondContact CA-O 3.28Å; I90-L194 WeakPolarHBondContact CG1-O 3.47Å; I90-L194 PolarHBondContact N-O 3.3Å; L116-L194 HydrophobicContact CB-CB 4.23Å; L116-L194 HydrophobicContact CB-CD1 4.12Å; L116-L194 HydrophobicContact CD1-CD1 3.86Å; A118-L194 HydrophobicContact CB-CD2 4.21Å; Y134-L194 HydrophobicContact CD2-CD1 4.11Å; Y134-L194 HydrophobicContact CD2-CD2 4.18Å; Y134-L194 HydrophobicContact CE2-CD1 4.08Å; Y134-L194 HydrophobicContact CE2-CD2 4.02Å; L190-L194 HydrophobicContact CB-CD1 4.14Å; L190-L194 HydrophobicContact CD1-CD1 4.44Å; L190-L194 HydrophobicContact CD2-CD1 4.19Å; P191-L194 HydrophobicContact CG-CD1 4.29Å; P191-L194 HydrophobicContact CG-CD2 4.15Å; P191-L194 HydrophobicContact CG-CG 4.27Å; P191-L194 WeakPolarHBondContact O-CD1 3.42Å; P191-L194 WeakPolarHBondContact O-CG 3.5Å; P192-L194 VanDerWaalsContact C-N 3.29Å; P192-L194 PolarHBondContact O-N 3.29Å
195	Y	98.9	Very high	98	Very high	24 Å²	24	33.8 Å²	33.8	9%	0.094	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	138.1	174.6	-70	-114.9	0	0	0	109.6	R85 A86 H88 P89 L116 S117 Q119 T197	R85-Y195 HydrophobicContact CB-CD1 4.11Å; R85-Y195 HydrophobicContact CB-CG 4.3Å; R85-Y195 HydrophobicContact CG-CD1 4.5Å; R85-Y195 HydrophobicContact CG-CG 4.2Å; A86-Y195 WeakPolarHBondContact O-CD1 3.39Å; H88-Y195 VanDerWaalsContact O-CD1 3.23Å; H88-Y195 WeakPolarHBondContact O-CD1 3.47Å; P89-Y195 HydrophobicContact CB-CD2 3.95Å; P89-Y195 HydrophobicContact CB-CE2 3.72Å; P89-Y195 HydrophobicContact CB-CG 4.43Å; P89-Y195 HydrophobicContact CG-CE2 4.3Å; L116-Y195 VanDerWaalsContact CA-O 3.3Å; L116-Y195 WeakPolarHBondContact CA-O 3.43Å; S117-Y195 PolarHBondContact N-O 3.42Å; S117-Y195 PolarHBondContact O-N 2.98Å; Q119-Y195 HydrophobicContact CB-CE2 3.9Å; Q119-Y195 HydrophobicContact CG-CE2 4.39Å; Y195-T197 PolarHBondContact O-N 3.35Å; Y195-T197 PolarHBondContact O-OG1 3.45Å
196	P	98.9	Very high	98	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.7	133.7	160	-24.2	34.8	0	0	0	109.6	P48 W51 R85 A86 I90 Y97 F99 F211	P48-P196 HydrophobicContact CB-CG 4.16Å; P48-P196 HydrophobicContact CG-CG 4.08Å; W51-P196 HydrophobicContact CH2-CB 4.46Å; W51-P196 HydrophobicContact CZ3-CB 4.44Å; W51-P196 WeakPolarHBondContact CZ3-O 3.28Å; R85-P196 WeakPolarHBondContact CA-O 3.37Å; A86-P196 HydrophobicContact CB-CB 4.08Å; A86-P196 HydrophobicContact CB-CG 4.12Å; A86-P196 PolarHBondContact N-O 2.69Å; I90-P196 HydrophobicContact CD1-CG 4.44Å; I90-P196 HydrophobicContact CG1-CG 4.27Å; Y97-P196 HydrophobicContact CE1-CG 3.98Å; F99-P196 HydrophobicContact CD1-CB 4.06Å; F99-P196 HydrophobicContact CD1-CG 4.21Å; F99-P196 HydrophobicContact CD2-CB 4.32Å; F99-P196 HydrophobicContact CE1-CB 3.7Å; F99-P196 HydrophobicContact CE1-CG 4.15Å; F99-P196 HydrophobicContact CE2-CB 4.01Å; F99-P196 HydrophobicContact CG-CB 4.35Å; F99-P196 HydrophobicContact CZ-CB 3.69Å; P196-F211 HydrophobicContact CB-CE1 3.79Å; P196-F211 HydrophobicContact CG-CE1 4.13Å
197	T	98.9	Very high	98	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	136.3	-173.9	-49.5	0	0	0	0	110.3	V84 R85 G115 S117 M123 P127 Y195	V84-T197 WeakPolarHBondContact O-CA 3.25Å; V84-T197 WeakPolarHBondContact O-CG2 3.2Å; R85-T197 HydrophobicContact CG-CG2 4.32Å; G115-T197 CarbonylContact C-O 3.56Å; G115-T197 PolarHBondContact N-O 3.15Å; G115-T197 PolarHBondContact O-N 2.78Å; S117-T197 PolarHBondContact N-OG1 2.91Å; S117-T197 PolarHBondContact OG-OG1 2.81Å; M123-T197 HydrophobicContact CE-CG2 4.13Å; P127-T197 HydrophobicContact CG-CG2 3.9Å; Y195-T197 PolarHBondContact O-N 3.35Å; Y195-T197 PolarHBondContact O-OG1 3.45Å
198	V	98.9	Very high	98	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	138.5	168.9	160.1	0	0	0	0	108.7	W51 V69 S83 V84 V101 G113 I114 L200 V207	W51-V198 HydrophobicContact CH2-CB 3.95Å; W51-V198 HydrophobicContact CH2-CG2 3.55Å; W51-V198 HydrophobicContact CZ2-CB 4.04Å; W51-V198 HydrophobicContact CZ2-CG2 3.52Å; V69-V198 HydrophobicContact CG1-CG1 4.46Å; S83-V198 CarbonylContact C-O 3.59Å; S83-V198 WeakPolarHBondContact CA-O 3.42Å; S83-V198 WeakPolarHBondContact CB-O 3.34Å; V84-V198 PolarHBondContact N-O 2.77Å; V84-V198 PolarHBondContact O-N 3.41Å; V84-V198 VanDerWaalsContact O-N 3.14Å; V101-V198 HydrophobicContact CG1-CG2 4.18Å; V101-V198 HydrophobicContact CG2-CG2 3.92Å; G113-V198 WeakPolarHBondContact O-CA 3.37Å; I114-V198 HydrophobicContact CG1-CG2 4.34Å; V198-L200 HydrophobicContact CG1-CD2 4.02Å; V198-L200 HydrophobicContact CG1-CG 4.23Å; V198-V207 HydrophobicContact CG1-CG2 3.77Å; V198-V207 HydrophobicContact CG2-CG2 4.48Å
199	G	98.8	Very high	98	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	142.7	168	0	0	0	0	0	112.5	A82 S83 M112 G113 L126	A82-G199 CarbonylContact O-C 3.47Å; A82-G199 VanDerWaalsContact O-CA 3.24Å; A82-G199 WeakPolarHBondContact O-CA 3.44Å; S83-G199 VanDerWaalsContact OG-CA 3.26Å; S83-G199 WeakPolarHBondContact OG-CA 3.45Å; M112-G199 WeakPolarHBondContact CA-O 3.43Å; G113-G199 PolarHBondContact N-O 2.75Å; G113-G199 PolarHBondContact O-N 3.18Å; L126-G199 VanDerWaalsContact CD2-C 3.41Å
200	L	98.8	Very high	98.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	155.8	177.1	-50.4	176.5	0	0	0	108.7	I60 V69 Y71 A82 M112 V198 E205 V207	I60-L200 HydrophobicContact CD1-CB 4.36Å; I60-L200 HydrophobicContact CD1-CD1 4.29Å; I60-L200 HydrophobicContact CD1-CG 4.4Å; V69-L200 HydrophobicContact CB-CD1 4.31Å; V69-L200 HydrophobicContact CG1-CD1 3.73Å; V69-L200 HydrophobicContact CG1-CG 4.42Å; Y71-L200 HydrophobicContact CD2-CB 3.94Å; Y71-L200 HydrophobicContact CG-CB 4.31Å; A82-L200 PolarHBondContact N-O 2.95Å; A82-L200 PolarHBondContact O-N 3.17Å; A82-L200 VanDerWaalsContact O-O 3.12Å; M112-L200 HydrophobicContact CB-CD2 4.14Å; M112-L200 HydrophobicContact CG-CD2 3.79Å; M112-L200 HydrophobicContact SD-CD2 4.44Å; V198-L200 HydrophobicContact CG1-CD2 4.02Å; V198-L200 HydrophobicContact CG1-CG 4.23Å; L200-E205 HydrophobicContact CB-CB 4.27Å; L200-E205 HydrophobicContact CD1-CB 4.33Å; L200-E205 HydrophobicContact CD2-CB 4.26Å; L200-V207 HydrophobicContact CD2-CG1 4.17Å; L200-V207 HydrophobicContact CD2-CG2 4.43Å
201	Q	98.5	Very high	98.2	Very high	12 Å²	12	21.3 Å²	21.3	6%	0.056	13%	0.133	C	C	.	.			trans	-138.6	-16.9	-175.3	176.9	175.1	-80.8	0	0	114.6	Y71 G75 A81 Y111 L126 E205	Y71-Q201 WeakPolarHBondContact CE1-O 3.46Å; Y71-Q201 PolarHBondContact OH-O 2.82Å; G75-Q201 WeakPolarHBondContact CA-O 3.49Å; A81-Q201 HydrophobicContact CB-CB 4.41Å; A81-Q201 HydrophobicContact CB-CG 4.39Å; Y111-Q201 PolarHBondContact O-N 3.05Å; L126-Q201 HydrophobicContact CD2-CB 4.4Å; Q201-E205 PolarHBondContact N-OE2 3.42Å
202	T	98.3	Very high	98.3	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.006	12%	0.122	C	C	.	.	S	Bend	trans	-127.1	150.8	-175.1	84.7	0	0	0	0	116.1	Y71 D109 Y111 G204 E205	Y71-T202 VanDerWaalsContact CD1-O 3.23Å; Y71-T202 WeakPolarHBondContact CD1-O 3.23Å; D109-T202 HydrophobicContact CB-CG2 3.98Å; D109-T202 PolarHBondContact N-OG1 3.49Å; D109-T202 WeakPolarHBondContact OD2-CG2 3.44Å; Y111-T202 HydrophobicContact CD2-CG2 3.47Å; Y111-T202 VanDerWaalsContact CD2-CG2 3.47Å; Y111-T202 HydrophobicContact CE2-CG2 4.3Å; Y111-T202 HydrophobicContact CG-CG2 4.31Å; T202-G204 PolarHBondContact O-N 2.82Å; T202-E205 VanDerWaalsContact CB-OE1 3.3Å; T202-E205 WeakPolarHBondContact CB-OE1 3.37Å; T202-E205 WeakPolarHBondContact CG2-OE1 3.48Å; T202-E205 VanDerWaalsContact N-CD 3.26Å; T202-E205 PolarHBondContact N-OE1 3Å; T202-E205 PolarHBondContact N-OE2 2.87Å; T202-E205 WeakPolarHBondContact O-CB 3.46Å; T202-E205 WeakPolarHBondContact O-CG 3.37Å; T202-E205 PolarHBondContact O-N 3.05Å; T202-E205 VanDerWaalsContact OG1-CD 3.24Å; T202-E205 PolarHBondContact OG1-OE1 3.44Å
203	P	98.4	Very high	98.4	Very high	55 Å²	55	17 Å²	17	36%	0.357	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	134.2	-179.7	-27.5	36.8	0	0	0	113	G107 R108	G107-P203 WeakPolarHBondContact CA-O 3.33Å; R108-P203 PolarHBondContact N-O 2.6Å; R108-P203 VanDerWaalsContact N-O 3.12Å
204	G	98.1	Very high	98.5	Very high	39 Å²	39	17.4 Å²	17.4	40%	0.402	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.8	-0.8	179.9	0	0	0	0	0	115.1	S105 G107 T202 V206	S105-G204 VanDerWaalsContact CB-O 3.27Å; S105-G204 WeakPolarHBondContact CB-O 3.31Å; S105-G204 PolarHBondContact OG-O 2.83Å; G107-G204 VanDerWaalsContact CA-O 3.29Å; G107-G204 WeakPolarHBondContact CA-O 3.46Å; G107-G204 PolarHBondContact N-O 3.27Å; T202-G204 PolarHBondContact O-N 2.82Å; G204-V206 PolarHBondContact O-N 3.36Å
205	E	98.8	Very high	98.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	125.9	171.2	-75.4	166.5	-168.7	0	0	110.6	H70 Y71 S105 K106 G110 Y111 M112 L200 Q201 T202	H70-E205 WeakPolarHBondContact CA-O 3.32Å; Y71-E205 PolarHBondContact N-O 3.1Å; S105-E205 WeakPolarHBondContact O-CA 3.29Å; K106-E205 VanDerWaalsContact O-CG 3.3Å; K106-E205 WeakPolarHBondContact O-CG 3.22Å; G110-E205 PolarHBondContact N-OE1 3.33Å; Y111-E205 PolarHBondContact N-OE1 3.3Å; M112-E205 HydrophobicContact CG-CB 4.38Å; M112-E205 HydrophobicContact CG-CG 3.94Å; M112-E205 HydrophobicContact SD-CB 4.44Å; M112-E205 HydrophobicContact SD-CG 4.14Å; L200-E205 HydrophobicContact CB-CB 4.27Å; L200-E205 HydrophobicContact CD1-CB 4.33Å; L200-E205 HydrophobicContact CD2-CB 4.26Å; Q201-E205 PolarHBondContact N-OE2 3.42Å; T202-E205 VanDerWaalsContact CB-OE1 3.3Å; T202-E205 WeakPolarHBondContact CB-OE1 3.37Å; T202-E205 WeakPolarHBondContact CG2-OE1 3.48Å; T202-E205 VanDerWaalsContact N-CD 3.26Å; T202-E205 PolarHBondContact N-OE1 3Å; T202-E205 PolarHBondContact N-OE2 2.87Å; T202-E205 WeakPolarHBondContact O-CB 3.46Å; T202-E205 WeakPolarHBondContact O-CG 3.37Å; T202-E205 PolarHBondContact O-N 3.05Å; T202-E205 VanDerWaalsContact OG1-CD 3.24Å; T202-E205 PolarHBondContact OG1-OE1 3.44Å
206	V	98.9	Very high	98.5	Very high	29 Å²	29	22 Å²	22	18%	0.176	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	130.6	-178.1	-173.6	0	0	0	0	109.6	R68 V69 H70 I104 S105 G204	R68-V206 HydrophobicContact CG-CG1 3.84Å; V69-V206 WeakPolarHBondContact O-CA 3.43Å; H70-V206 HydrophobicContact CB-CG1 4.39Å; H70-V206 HydrophobicContact CB-CG2 3.98Å; I104-V206 WeakPolarHBondContact CA-O 3.43Å; I104-V206 HydrophobicContact CB-CB 4.18Å; I104-V206 HydrophobicContact CB-CG1 3.97Å; I104-V206 WeakPolarHBondContact CB-O 3.19Å; I104-V206 HydrophobicContact CG2-CB 4.48Å; I104-V206 HydrophobicContact CG2-CG1 4.15Å; I104-V206 PolarHBondContact N-O 2.79Å; S105-V206 PolarHBondContact N-O 3.01Å; S105-V206 PolarHBondContact O-N 3.32Å; G204-V206 PolarHBondContact O-N 3.36Å
207	V	98.9	Very high	98.5	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	150	176	-51.7	0	0	0	0	111.8	R68 V69 V101 K102 I103 M112 V198 L200	R68-V207 WeakPolarHBondContact CA-O 3.14Å; V69-V207 HydrophobicContact CB-CG2 3.99Å; V69-V207 HydrophobicContact CG2-CG2 4.23Å; V69-V207 PolarHBondContact N-O 3.21Å; V69-V207 PolarHBondContact O-N 3.48Å; V101-V207 HydrophobicContact CG1-CB 3.65Å; V101-V207 HydrophobicContact CG1-CG1 4.27Å; V101-V207 HydrophobicContact CG1-CG2 3.66Å; K102-V207 CarbonylContact O-C 3.58Å; K102-V207 VanDerWaalsContact O-CA 3.24Å; K102-V207 WeakPolarHBondContact O-CA 3.34Å; K102-V207 WeakPolarHBondContact O-CB 3.32Å; I103-V207 HydrophobicContact CD1-CG1 3.71Å; M112-V207 HydrophobicContact SD-CG1 4.15Å; V198-V207 HydrophobicContact CG1-CG2 3.77Å; V198-V207 HydrophobicContact CG2-CG2 4.48Å; L200-V207 HydrophobicContact CD2-CG1 4.17Å; L200-V207 HydrophobicContact CD2-CG2 4.43Å
208	D	98.9	Very high	98.4	Very high	31 Å²	31	27.1 Å²	27.1	17%	0.166	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	133.7	175.6	-70.3	-12	0	0	0	110.4	R68 V101 K102 I104	R68-D208 WeakPolarHBondContact CA-OD1 3.37Å; R68-D208 WeakPolarHBondContact CB-OD1 3.48Å; R68-D208 WeakPolarHBondContact CG-OD1 3.42Å; R68-D208 IonicContact CZ-OD1 3.92Å; R68-D208 IonicContact CZ-OD2 2.74Å; R68-D208 IonicContact NE-OD1 3.59Å; R68-D208 PolarHBondContact NE-OD1 3.2Å; R68-D208 IonicContact NE-OD2 3.91Å; R68-D208 IonicContact NH2-OD1 2.81Å; R68-D208 PolarHBondContact NH2-OD1 3.39Å; R68-D208 IonicContact NH2-OD2 2.68Å; R68-D208 PolarHBondContact NH2-OD2 2.79Å; V101-D208 CarbonylContact C-O 3.58Å; V101-D208 WeakPolarHBondContact CA-O 3.47Å; K102-D208 PolarHBondContact N-O 3.2Å; K102-D208 PolarHBondContact O-N 2.82Å; I104-D208 HydrophobicContact CD1-CB 4.24Å; I104-D208 VanDerWaalsContact CD1-OD2 3.23Å; I104-D208 WeakPolarHBondContact CD1-OD2 3.38Å; I104-D208 HydrophobicContact CG1-CB 4.11Å; I104-D208 VanDerWaalsContact CG1-CG 3.47Å; I104-D208 WeakPolarHBondContact CG1-OD2 3.4Å
209	A	98.8	Very high	98.4	Very high	9 Å²	9	31.8 Å²	31.8	7%	0.074	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	138.3	172.6	0	0	0	0	0	112.7	W51 L67 E100 F211	W51-A209 HydrophobicContact CZ2-CB 3.63Å; L67-A209 PolarHBondContact O-N 3.02Å; E100-A209 CarbonylContact O-C 3.43Å; E100-A209 WeakPolarHBondContact O-CA 3.33Å; A209-F211 HydrophobicContact CB-CD2 4.04Å; A209-F211 HydrophobicContact CB-CE2 3.5Å; A209-F211 HydrophobicContact CB-CZ 3.79Å
210	N	98.8	Very high	98.4	Very high	18 Å²	18	32 Å²	32	10%	0.096	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	107.7	162.4	-178.3	17.7	0	0	0	108.2	F99 E100 G212 Q213 H214 P215 F216	F99-N210 WeakPolarHBondContact CA-O 3.47Å; E100-N210 HydrophobicContact CB-CB 4.31Å; E100-N210 PolarHBondContact N-O 3.23Å; E100-N210 PolarHBondContact O-N 3.42Å; N210-G212 VanDerWaalsContact C-N 3.29Å; N210-G212 WeakPolarHBondContact OD1-CA 3.41Å; N210-G212 PolarHBondContact OD1-N 2.94Å; N210-Q213 PolarHBondContact OD1-N 3.39Å; N210-H214 PolarHBondContact ND2-O 3.49Å; N210-H214 PolarHBondContact OD1-N 3.1Å; N210-H214 PolarHBondContact OD1-O 2.92Å; N210-P215 PolarHBondContact ND2-O 3.46Å; N210-F216 HydrophobicContact CB-CE1 4.44Å; N210-F216 WeakPolarHBondContact ND2-CD1 3.28Å
211	F	98.7	Very high	98.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-93.8	15.7	171.8	-62.8	-70.6	0	0	0	111.9	L33 R49 W51 L67 A86 Y97 F99 P196 A209	L33-F211 WeakPolarHBondContact CD2-O 3.48Å; R49-F211 WeakPolarHBondContact O-CD2 3.3Å; W51-F211 HydrophobicContact CD2-CE2 4.33Å; W51-F211 AromaticContact CD2-CZ 3.97Å; W51-F211 HydrophobicContact CD2-CZ 3.97Å; W51-F211 AromaticContact CE2-CZ 3.76Å; W51-F211 HydrophobicContact CE3-CZ 4.11Å; W51-F211 HydrophobicContact CH2-CE1 4.41Å; W51-F211 AromaticContact CH2-CZ 3.86Å; W51-F211 HydrophobicContact CH2-CZ 3.86Å; W51-F211 HydrophobicContact CZ2-CE2 4.45Å; W51-F211 AromaticContact CZ2-CZ 3.73Å; W51-F211 HydrophobicContact CZ2-CZ 3.73Å; W51-F211 HydrophobicContact CZ3-CZ 4.06Å; L67-F211 HydrophobicContact CD2-CD2 3.91Å; L67-F211 HydrophobicContact CD2-CE2 4.27Å; A86-F211 HydrophobicContact CB-CE1 4.36Å; A86-F211 HydrophobicContact CB-CZ 4.27Å; Y97-F211 WeakPolarHBondContact OH-CD1 3.31Å; F99-F211 HydrophobicContact CB-CD1 3.84Å; F99-F211 HydrophobicContact CB-CE1 4.26Å; F99-F211 HydrophobicContact CD2-CD1 4.45Å; F99-F211 HydrophobicContact CD2-CE1 4.05Å; F99-F211 HydrophobicContact CG-CD1 4.32Å; F99-F211 HydrophobicContact CG-CE1 4.25Å; P196-F211 HydrophobicContact CB-CE1 3.79Å; P196-F211 HydrophobicContact CG-CE1 4.13Å; A209-F211 HydrophobicContact CB-CD2 4.04Å; A209-F211 HydrophobicContact CB-CE2 3.5Å; A209-F211 HydrophobicContact CB-CZ 3.79Å
212	G	98	Very high	98.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	111.8	7	-171.8	0	0	0	0	0	114.2	L29 R32 N210 H214	L29-G212 VanDerWaalsContact CD1-C 3.46Å; R32-G212 WeakPolarHBondContact CD-O 3.44Å; R32-G212 PolarHBondContact NH1-O 3.41Å; N210-G212 VanDerWaalsContact C-N 3.29Å; N210-G212 WeakPolarHBondContact OD1-CA 3.41Å; N210-G212 PolarHBondContact OD1-N 2.94Å; G212-H214 VanDerWaalsContact C-N 3.28Å; G212-H214 PolarHBondContact O-N 3.49Å
213	Q	97.1	Very high	98.3	Very high	27 Å²	27	40.6 Å²	40.6	13%	0.126	23%	0.227	C	C	.	.	S	Bend	trans	-63	-35.7	172	-74.9	78.5	15.9	0	0	112.3	L29 R32 R49 L67 N210	L29-Q213 HydrophobicContact CD1-CG 4.12Å; L29-Q213 HydrophobicContact CD2-CG 4.33Å; R32-Q213 PolarHBondContact NH1-O 3.3Å; R49-Q213 PolarHBondContact O-NE2 3.43Å; L67-Q213 HydrophobicContact CD1-CG 3.93Å; N210-Q213 PolarHBondContact OD1-N 3.39Å
214	H	96.6	Very high	98.3	Very high	112 Å²	112	38.1 Å²	38.1	52%	0.519	21%	0.211	S	C	.	.	S	Bend	trans	-122.5	161.9	178.8	-58.2	-46	0	0	0	110.2	N210 G212	N210-H214 PolarHBondContact ND2-O 3.49Å; N210-H214 PolarHBondContact OD1-N 3.1Å; N210-H214 PolarHBondContact OD1-O 2.92Å; G212-H214 VanDerWaalsContact C-N 3.28Å; G212-H214 PolarHBondContact O-N 3.49Å
215	P	97.9	Very high	98.2	Very high	95 Å²	95	43.1 Å²	43.1	62%	0.617	22%	0.217	S	C	*	.			trans	-52.3	143	165.5	-23.2	34.5	0	0	0	110.6	N210	N210-P215 PolarHBondContact ND2-O 3.46Å
216	F	98.7	Very high	98.1	Very high	31 Å²	31	47.4 Å²	47.4	14%	0.136	24%	0.237	C	C	.	.			trans	-79.4	157.6	175.5	-67.7	-60.8	0	0	0	111.2	L36 Y98 E100 N210 F218 I220	L36-F216 HydrophobicContact CD1-CE2 3.83Å; Y98-F216 HydrophobicContact CD1-CB 4.32Å; Y98-F216 AromaticContact CD1-CD1 3.69Å; Y98-F216 HydrophobicContact CD1-CD1 3.69Å; Y98-F216 AromaticContact CD1-CD2 3.79Å; Y98-F216 HydrophobicContact CD1-CD2 3.79Å; Y98-F216 AromaticContact CD1-CE1 3.82Å; Y98-F216 HydrophobicContact CD1-CE1 3.82Å; Y98-F216 AromaticContact CD1-CE2 3.91Å; Y98-F216 HydrophobicContact CD1-CE2 3.91Å; Y98-F216 AromaticContact CD1-CG 3.67Å; Y98-F216 HydrophobicContact CD1-CG 3.67Å; Y98-F216 AromaticContact CD1-CZ 3.92Å; Y98-F216 HydrophobicContact CD1-CZ 3.92Å; Y98-F216 HydrophobicContact CE1-CB 3.86Å; Y98-F216 AromaticContact CE1-CD1 3.61Å; Y98-F216 HydrophobicContact CE1-CD1 3.61Å; Y98-F216 HydrophobicContact CE1-CD2 4.21Å; Y98-F216 HydrophobicContact CE1-CE1 4.14Å; Y98-F216 AromaticContact CE1-CG 3.63Å; Y98-F216 HydrophobicContact CE1-CG 3.63Å; E100-F216 HydrophobicContact CB-CD1 4.17Å; E100-F216 HydrophobicContact CB-CE1 4.48Å; E100-F216 HydrophobicContact CG-CD1 3.87Å; E100-F216 HydrophobicContact CG-CE1 4.48Å; E100-F216 WeakPolarHBondContact OE2-CA 3.43Å; N210-F216 HydrophobicContact CB-CE1 4.44Å; N210-F216 WeakPolarHBondContact ND2-CD1 3.28Å; F216-F218 WeakPolarHBondContact CB-O 3.33Å; F216-I220 HydrophobicContact CD2-CG2 3.65Å; F216-I220 HydrophobicContact CE2-CG2 4.17Å
217	V	98.8	Very high	97.9	Very high	79 Å²	79	47.8 Å²	47.8	48%	0.479	24%	0.235	S	C	.	.	S	Bend	trans	-80.9	-31.2	173.2	-171.6	0	0	0	0	110.9	E100 V162	E100-V217 VanDerWaalsContact CD-N 3.34Å; E100-V217 PolarHBondContact OE1-N 2.88Å; E100-V217 PolarHBondContact OE2-N 3.37Å; V162-V217 HydrophobicContact CB-CG2 4.24Å; V162-V217 HydrophobicContact CG1-CG2 3.96Å; V162-V217 HydrophobicContact CG2-CG2 4.21Å
218	F	98.8	Very high	97.7	Very high	30 Å²	30	52.3 Å²	52.3	13%	0.132	25%	0.253	C	S	.	.	S	Bend	trans	-86	139.7	169.1	-179.2	-115	0	0	0	111.6	Y98 E100 F175 T177 G180 F216 I220	Y98-F218 HydrophobicContact CE1-CB 4.09Å; Y98-F218 HydrophobicContact CE1-CD1 4.37Å; Y98-F218 HydrophobicContact CE2-CD1 4.08Å; Y98-F218 AromaticContact CZ-CD1 3.94Å; Y98-F218 WeakPolarHBondContact OH-CB 3.49Å; E100-F218 PolarHBondContact OE1-N 2.9Å; F175-F218 HydrophobicContact CE2-CE1 4.16Å; F175-F218 HydrophobicContact CE2-CZ 4.02Å; F175-F218 HydrophobicContact CZ-CE1 4.09Å; F175-F218 HydrophobicContact CZ-CZ 4.11Å; T177-F218 HydrophobicContact CG2-CB 4.15Å; T177-F218 HydrophobicContact CG2-CD1 4.07Å; T177-F218 HydrophobicContact CG2-CD2 3.87Å; T177-F218 HydrophobicContact CG2-CE1 4.44Å; T177-F218 HydrophobicContact CG2-CE2 4.26Å; T177-F218 HydrophobicContact CG2-CG 3.78Å; G180-F218 WeakPolarHBondContact O-CD2 3.33Å; F216-F218 WeakPolarHBondContact CB-O 3.33Å; F218-I220 VanDerWaalsContact C-N 3.27Å; F218-I220 HydrophobicContact CD1-CB 4.1Å; F218-I220 HydrophobicContact CD1-CD1 4.35Å; F218-I220 HydrophobicContact CE1-CB 4.47Å; F218-I220 HydrophobicContact CE1-CD1 4.1Å; F218-I220 PolarHBondContact O-N 2.73Å
219	D	98.3	Very high	97.5	Very high	99 Å²	99	55.2 Å²	55.2	53%	0.529	27%	0.271	S	S	.	.			trans	-77	80.6	169.9	-164	-21	0	0	0	110.9	E221 D222 Y223	D219-E221 PolarHBondContact O-N 2.88Å; D219-E221 PolarHBondContact OD1-N 3.17Å; D219-D222 HydrophobicContact CB-CB 4.49Å; D219-D222 PolarHBondContact OD1-N 3.43Å; D219-Y223 PolarHBondContact O-N 3.48Å
220	I	98.4	Very high	97.3	Very high	4 Å²	4	58.7 Å²	58.7	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-67	-24.6	173.1	-172	61.9	0	0	0	112.4	L36 V96 Y98 F216 F218 Y223 M224	L36-I220 HydrophobicContact CD2-CG2 3.89Å; V96-I220 HydrophobicContact CG1-CD1 3.97Å; Y98-I220 HydrophobicContact CD1-CB 3.99Å; Y98-I220 HydrophobicContact CD1-CG1 4.2Å; Y98-I220 HydrophobicContact CD1-CG2 4.24Å; Y98-I220 HydrophobicContact CD2-CD1 4.2Å; Y98-I220 HydrophobicContact CG-CB 4.22Å; Y98-I220 HydrophobicContact CG-CD1 3.92Å; Y98-I220 HydrophobicContact CG-CG1 3.95Å; F216-I220 HydrophobicContact CD2-CG2 3.65Å; F216-I220 HydrophobicContact CE2-CG2 4.17Å; F218-I220 VanDerWaalsContact C-N 3.27Å; F218-I220 HydrophobicContact CD1-CB 4.1Å; F218-I220 HydrophobicContact CD1-CD1 4.35Å; F218-I220 HydrophobicContact CE1-CB 4.47Å; F218-I220 HydrophobicContact CE1-CD1 4.1Å; F218-I220 PolarHBondContact O-N 2.73Å; I220-Y223 HydrophobicContact CD1-CD1 4.11Å; I220-M224 HydrophobicContact CG1-CG 4.41Å; I220-M224 WeakPolarHBondContact O-CB 3.38Å; I220-M224 VanDerWaalsContact O-CG 3.29Å; I220-M224 WeakPolarHBondContact O-CG 3.33Å; I220-M224 PolarHBondContact O-N 3.44Å
221	E	97.6	Very high	97.1	Very high	67 Å²	67	58.3 Å²	58.3	31%	0.313	28%	0.283	S	S	.	.	H	α-helix	trans	-72.2	-36.2	-178.2	-69.6	-162.5	-148.3	0	0	111.5	R35 L36 D219 M224 R225	R35-E221 IonicContact CZ-OE1 2.75Å; R35-E221 IonicContact CZ-OE2 2.7Å; R35-E221 IonicContact NE-OE1 3.54Å; R35-E221 PolarHBondContact NE-OE1 3.3Å; R35-E221 IonicContact NE-OE2 3.17Å; R35-E221 PolarHBondContact NE-OE2 3.02Å; R35-E221 IonicContact NH2-OE1 3.49Å; R35-E221 PolarHBondContact NH2-OE1 2.68Å; R35-E221 IonicContact NH2-OE2 2.74Å; R35-E221 PolarHBondContact NH2-OE2 2.99Å; L36-E221 HydrophobicContact CD2-CG 3.82Å; D219-E221 PolarHBondContact O-N 2.88Å; D219-E221 PolarHBondContact OD1-N 3.17Å; E221-M224 PolarHBondContact O-N 3.16Å; E221-R225 WeakPolarHBondContact O-CB 3.39Å; E221-R225 PolarHBondContact O-N 2.98Å
222	D	97.9	Very high	96.8	Very high	82 Å²	82	61 Å²	61	44%	0.439	30%	0.295	S	S	.	.	H	α-helix	trans	-70.7	-40.7	173.6	-157.4	60.4	0	0	0	112.6	D219 M224 R225 E226	D219-D222 HydrophobicContact CB-CB 4.49Å; D219-D222 PolarHBondContact OD1-N 3.43Å; D222-M224 VanDerWaalsContact C-N 3.31Å; D222-M224 PolarHBondContact O-N 2.91Å; D222-R225 WeakPolarHBondContact O-CA 3.38Å; D222-R225 VanDerWaalsContact O-CB 3.28Å; D222-R225 WeakPolarHBondContact O-CB 3.29Å; D222-R225 PolarHBondContact O-N 3.46Å; D222-R225 IonicContact OD1-CZ 3.05Å; D222-R225 IonicContact OD1-NE 3.41Å; D222-R225 PolarHBondContact OD1-NE 2.76Å; D222-R225 IonicContact OD1-NH2 2.89Å; D222-R225 PolarHBondContact OD1-NH2 2.84Å; D222-E226 PolarHBondContact O-N 2.86Å
223	Y	97.8	Very high	96.6	Very high	44 Å²	44	62.5 Å²	62.5	17%	0.173	31%	0.308	C	S	.	.	H	α-helix	trans	-59.7	-40.9	171.4	-178.5	-95.3	0	0	0	112	V96 N168 F175 D219 I220 E226 W227	V96-Y223 HydrophobicContact CG1-CD1 4.01Å; V96-Y223 HydrophobicContact CG1-CE1 3.85Å; V96-Y223 HydrophobicContact CG2-CD1 4.45Å; V96-Y223 HydrophobicContact CG2-CE1 3.95Å; N168-Y223 PolarHBondContact ND2-OH 3.2Å; F175-Y223 HydrophobicContact CE1-CD1 4.48Å; F175-Y223 HydrophobicContact CE1-CD2 4.41Å; F175-Y223 AromaticContact CE1-CE1 3.86Å; F175-Y223 HydrophobicContact CE1-CE1 3.86Å; F175-Y223 AromaticContact CE1-CE2 3.77Å; F175-Y223 HydrophobicContact CE1-CE2 3.77Å; F175-Y223 AromaticContact CE1-CZ 3.46Å; F175-Y223 VanDerWaalsContact CE1-CZ 3.46Å; F175-Y223 HydrophobicContact CZ-CD1 4.39Å; F175-Y223 HydrophobicContact CZ-CD2 4.14Å; F175-Y223 HydrophobicContact CZ-CE1 4.22Å; F175-Y223 AromaticContact CZ-CE2 3.94Å; F175-Y223 HydrophobicContact CZ-CE2 3.94Å; F175-Y223 HydrophobicContact CZ-CG 4.35Å; F175-Y223 AromaticContact CZ-CZ 3.98Å; D219-Y223 PolarHBondContact O-N 3.48Å; I220-Y223 HydrophobicContact CD1-CD1 4.11Å; Y223-E226 PolarHBondContact O-N 3.41Å; Y223-W227 AromaticContact CE1-CD1 3.62Å; Y223-W227 AromaticContact CE1-NE1 3.73Å; Y223-W227 AromaticContact CE2-NE1 3.72Å; Y223-W227 AromaticContact CZ-CD1 3.57Å; Y223-W227 AromaticContact CZ-NE1 3.22Å; Y223-W227 PolarHBondContact O-N 2.9Å; Y223-W227 PolarHBondContact OH-NE1 3.01Å; Y223-W227 VanDerWaalsContact OH-NE1 3.08Å
224	M	98	Very high	96.4	Very high	4 Å²	4	67.3 Å²	67.3	2%	0.02	33%	0.33	C	S	.	.	H	α-helix	trans	-64.4	-38.4	172.1	-78	-179.5	158.9	0	0	112.6	L36 Y37 V96 I220 E221 D222 W227 R228 F593	L36-M224 HydrophobicContact CB-CE 4.33Å; L36-M224 HydrophobicContact CB-SD 4.49Å; L36-M224 HydrophobicContact CD2-CE 4.48Å; L36-M224 HydrophobicContact CD2-SD 3.94Å; L36-M224 WeakPolarHBondContact O-CE 3.15Å; Y37-M224 HydrophobicContact CD1-CE 3.81Å; Y37-M224 HydrophobicContact CE1-CE 3.5Å; Y37-M224 VanDerWaalsContact CE1-CE 3.5Å; V96-M224 HydrophobicContact CB-CE 4.18Å; V96-M224 HydrophobicContact CB-CG 4.3Å; V96-M224 WeakPolarHBondContact O-CE 3.41Å; I220-M224 HydrophobicContact CG1-CG 4.41Å; I220-M224 WeakPolarHBondContact O-CB 3.38Å; I220-M224 VanDerWaalsContact O-CG 3.29Å; I220-M224 WeakPolarHBondContact O-CG 3.33Å; I220-M224 PolarHBondContact O-N 3.44Å; E221-M224 PolarHBondContact O-N 3.16Å; D222-M224 VanDerWaalsContact C-N 3.31Å; D222-M224 PolarHBondContact O-N 2.91Å; M224-W227 PolarHBondContact O-N 3.34Å; M224-R228 WeakPolarHBondContact O-CG 3.23Å; M224-R228 PolarHBondContact O-N 3.21Å; M224-F593 HydrophobicContact CB-CZ 4.38Å; M224-F593 HydrophobicContact CG-CZ 4.16Å
225	R	96.5	Very high	96.1	Very high	143 Å²	143	65.3 Å²	65.3	54%	0.54	32%	0.322	S	S	.	.	H	α-helix	trans	-59.8	-47.4	176.6	-165.7	-158	-45.3	-81.4	-6.2	110.8	E221 D222 W227 R228 T229	E221-R225 WeakPolarHBondContact O-CB 3.39Å; E221-R225 PolarHBondContact O-N 2.98Å; D222-R225 WeakPolarHBondContact O-CA 3.38Å; D222-R225 VanDerWaalsContact O-CB 3.28Å; D222-R225 WeakPolarHBondContact O-CB 3.29Å; D222-R225 PolarHBondContact O-N 3.46Å; D222-R225 IonicContact OD1-CZ 3.05Å; D222-R225 IonicContact OD1-NE 3.41Å; D222-R225 PolarHBondContact OD1-NE 2.76Å; D222-R225 IonicContact OD1-NH2 2.89Å; D222-R225 PolarHBondContact OD1-NH2 2.84Å; R225-W227 VanDerWaalsContact C-N 3.31Å; R225-W227 PolarHBondContact O-N 3.49Å; R225-R228 PolarHBondContact O-N 3.32Å; R225-T229 PolarHBondContact O-N 2.89Å; R225-T229 PolarHBondContact O-OG1 2.98Å
226	E	96.3	Very high	95.7	Very high	90 Å²	90	65.8 Å²	65.8	42%	0.421	32%	0.32	S	S	.	.	H	α-helix	trans	-57.6	-43.4	177.6	-160.5	-145.2	-172.5	0	0	111.6	D222 Y223 T229 K230	D222-E226 PolarHBondContact O-N 2.86Å; Y223-E226 PolarHBondContact O-N 3.41Å; E226-T229 PolarHBondContact O-N 3.12Å; E226-K230 VanDerWaalsContact CD-CE 3.43Å; E226-K230 VanDerWaalsContact O-CG 3.31Å; E226-K230 WeakPolarHBondContact O-CG 3.44Å; E226-K230 PolarHBondContact O-N 3.33Å; E226-K230 WeakPolarHBondContact OE1-CE 3.49Å; E226-K230 IonicContact OE1-NZ 2.75Å; E226-K230 PolarHBondContact OE1-NZ 3.39Å; E226-K230 IonicContact OE2-NZ 3.66Å; E226-K230 PolarHBondContact OE2-NZ 2.88Å
227	W	95.8	Very high	95.3	Very high	37 Å²	37	74.1 Å²	74.1	14%	0.14	35%	0.351	C	S	.	.	H	α-helix	trans	-70	-36.7	176.1	-84.4	91.6	0	0	0	114.1	N168 I170 N171 Y223 M224 R225 K230 I231 F593	N168-W227 WeakPolarHBondContact ND2-CZ2 3.39Å; N168-W227 PolarHBondContact ND2-NE1 3.47Å; I170-W227 HydrophobicContact CB-CE3 4.44Å; I170-W227 HydrophobicContact CB-CZ3 4.24Å; I170-W227 HydrophobicContact CD1-CD2 4.32Å; I170-W227 HydrophobicContact CD1-CE3 3.71Å; I170-W227 HydrophobicContact CD1-CZ3 4.35Å; I170-W227 HydrophobicContact CG2-CE3 4.25Å; I170-W227 HydrophobicContact CG2-CZ3 3.85Å; N171-W227 HydrophobicContact CB-CH2 4.4Å; N171-W227 WeakPolarHBondContact ND2-CH2 3.29Å; Y223-W227 AromaticContact CE1-CD1 3.62Å; Y223-W227 AromaticContact CE1-NE1 3.73Å; Y223-W227 AromaticContact CE2-NE1 3.72Å; Y223-W227 AromaticContact CZ-CD1 3.57Å; Y223-W227 AromaticContact CZ-NE1 3.22Å; Y223-W227 PolarHBondContact O-N 2.9Å; Y223-W227 PolarHBondContact OH-NE1 3.01Å; Y223-W227 VanDerWaalsContact OH-NE1 3.08Å; M224-W227 PolarHBondContact O-N 3.34Å; R225-W227 VanDerWaalsContact C-N 3.31Å; R225-W227 PolarHBondContact O-N 3.49Å; W227-K230 HydrophobicContact CD2-CD 4.46Å; W227-K230 PolarHBondContact O-N 3.45Å; W227-I231 WeakPolarHBondContact O-CG1 3.38Å; W227-I231 PolarHBondContact O-N 2.98Å; W227-F593 HydrophobicContact CB-CD2 3.94Å; W227-F593 HydrophobicContact CB-CE2 3.58Å
228	R	94.5	Very high	94.7	Very high	97 Å²	97	74.4 Å²	74.4	37%	0.366	36%	0.355	S	S	.	.	H	α-helix	trans	-59.6	-47.2	171.7	-72.2	171	-170.6	-169.6	6.2	110.7	M224 R225 K230 I231 Q232 F593	M224-R228 WeakPolarHBondContact O-CG 3.23Å; M224-R228 PolarHBondContact O-N 3.21Å; R225-R228 PolarHBondContact O-N 3.32Å; R228-K230 VanDerWaalsContact C-N 3.34Å; R228-K230 PolarHBondContact O-N 3.27Å; R228-I231 PolarHBondContact O-N 3.46Å; R228-Q232 VanDerWaalsContact O-CB 3.31Å; R228-Q232 WeakPolarHBondContact O-CB 3.49Å; R228-Q232 PolarHBondContact O-N 3.23Å; R228-F593 HydrophobicContact CB-CB 4.48Å; R228-F593 HydrophobicContact CB-CG 4.48Å; R228-F593 HydrophobicContact CG-CB 3.81Å; R228-F593 HydrophobicContact CG-CD1 3.47Å; R228-F593 VanDerWaalsContact CG-CD1 3.47Å; R228-F593 HydrophobicContact CG-CD2 4.04Å; R228-F593 HydrophobicContact CG-CE1 4.07Å; R228-F593 HydrophobicContact CG-CG 3.5Å; R228-F593 VanDerWaalsContact CG-CG 3.5Å
229	T	94.9	Very high	94	Very high	91 Å²	91	78.5 Å²	78.5	56%	0.558	38%	0.384	S	S	*	.	H	α-helix	trans	-61.1	-40	175.8	-56.8	0	0	0	0	112.4	R225 E226 A233	R225-T229 PolarHBondContact O-N 2.89Å; R225-T229 PolarHBondContact O-OG1 2.98Å; E226-T229 PolarHBondContact O-N 3.12Å; T229-A233 VanDerWaalsContact O-CB 3.3Å; T229-A233 WeakPolarHBondContact O-CB 3.15Å; T229-A233 PolarHBondContact O-N 3.49Å
230	K	95.1	Very high	92.9	Very high	83 Å²	83	79.6 Å²	79.6	36%	0.361	39%	0.389	S	S	.	.	H	α-helix	trans	-63.9	-43.4	175.8	-74.5	167.1	-178.8	172.3	0	112.9	E226 W227 R228 Q234	E226-K230 VanDerWaalsContact CD-CE 3.43Å; E226-K230 VanDerWaalsContact O-CG 3.31Å; E226-K230 WeakPolarHBondContact O-CG 3.44Å; E226-K230 PolarHBondContact O-N 3.33Å; E226-K230 WeakPolarHBondContact OE1-CE 3.49Å; E226-K230 IonicContact OE1-NZ 2.75Å; E226-K230 PolarHBondContact OE1-NZ 3.39Å; E226-K230 IonicContact OE2-NZ 3.66Å; E226-K230 PolarHBondContact OE2-NZ 2.88Å; W227-K230 HydrophobicContact CD2-CD 4.46Å; W227-K230 PolarHBondContact O-N 3.45Å; R228-K230 VanDerWaalsContact C-N 3.34Å; R228-K230 PolarHBondContact O-N 3.27Å; K230-Q234 WeakPolarHBondContact O-CG 3.32Å; K230-Q234 PolarHBondContact O-N 2.95Å
231	I	94.1	Very high	91.4	Very high	9 Å²	9	81.9 Å²	81.9	5%	0.046	41%	0.414	C	S	.	.	H	α-helix	trans	-70.4	-44	179	-66.8	-64.5	0	0	0	111	I170 W227 R228 A233 Q234 I235 F593	I170-I231 HydrophobicContact CD1-CG1 4.32Å; I170-I231 HydrophobicContact CG2-CD1 4Å; W227-I231 WeakPolarHBondContact O-CG1 3.38Å; W227-I231 PolarHBondContact O-N 2.98Å; R228-I231 PolarHBondContact O-N 3.46Å; I231-A233 PolarHBondContact O-N 3.36Å; I231-Q234 WeakPolarHBondContact O-CB 3.28Å; I231-Q234 PolarHBondContact O-N 3.19Å; I231-I235 HydrophobicContact CG2-CD1 4.05Å; I231-I235 WeakPolarHBondContact O-CG1 3.4Å; I231-I235 PolarHBondContact O-N 2.91Å; I231-F593 HydrophobicContact CB-CB 4.32Å; I231-F593 HydrophobicContact CG1-CB 4.43Å; I231-F593 HydrophobicContact CG2-CB 4.35Å
232	Q	92.6	Very high	89.7	Confident	56 Å²	56	88 Å²	88	26%	0.262	44%	0.442	S	S	.	.	H	α-helix	trans	-55.9	-50.8	175	-176.3	53.7	40.6	0	0	111.3	R228 Q234 I235 D236 Y599	R228-Q232 VanDerWaalsContact O-CB 3.31Å; R228-Q232 WeakPolarHBondContact O-CB 3.49Å; R228-Q232 PolarHBondContact O-N 3.23Å; Q232-Q234 PolarHBondContact O-N 2.99Å; Q232-Q234 VanDerWaalsContact O-N 3.13Å; Q232-I235 WeakPolarHBondContact O-CB 3.46Å; Q232-I235 PolarHBondContact O-N 3.42Å; Q232-D236 WeakPolarHBondContact CG-OD2 3.2Å; Q232-D236 PolarHBondContact NE2-OD1 2.99Å; Q232-D236 PolarHBondContact NE2-OD2 3.43Å; Q232-D236 PolarHBondContact O-N 3.25Å; Q232-D236 VanDerWaalsContact O-OD2 3.13Å; Q232-Y599 VanDerWaalsContact CD-OH 3.29Å; Q232-Y599 PolarHBondContact NE2-OH 2.68Å; Q232-Y599 PolarHBondContact OE1-OH 2.87Å
233	A	93.3	Very high	88	Confident	32 Å²	32	91.9 Å²	91.9	26%	0.264	45%	0.451	S	S	.	.	H	α-helix	trans	-65.5	-15.5	177.4	0	0	0	0	0	114.6	T229 I231 R237	T229-A233 VanDerWaalsContact O-CB 3.3Å; T229-A233 WeakPolarHBondContact O-CB 3.15Å; T229-A233 PolarHBondContact O-N 3.49Å; I231-A233 PolarHBondContact O-N 3.36Å; A233-R237 WeakPolarHBondContact O-CB 3.42Å; A233-R237 WeakPolarHBondContact O-CD 3.43Å; A233-R237 WeakPolarHBondContact O-CG 3.3Å
234	Q	92.6	Very high	86.1	Confident	129 Å²	129	98 Å²	98	60%	0.603	48%	0.481	S	S	*	.	H	α-helix	trans	-82.6	-35	169	-75.5	176	-3.4	0	0	112.1	K230 I231 Q232 C238	K230-Q234 WeakPolarHBondContact O-CG 3.32Å; K230-Q234 PolarHBondContact O-N 2.95Å; I231-Q234 WeakPolarHBondContact O-CB 3.28Å; I231-Q234 PolarHBondContact O-N 3.19Å; Q232-Q234 PolarHBondContact O-N 2.99Å; Q232-Q234 VanDerWaalsContact O-N 3.13Å; Q234-C238 PolarHBondContact O-N 3.07Å
235	I	90.6	Very high	84.5	Confident	69 Å²	69	99.4 Å²	99.4	35%	0.354	50%	0.496	S	S	.	.	H	α-helix	trans	-68.9	-47.9	174.9	-61.7	164	0	0	0	109.9	I231 Q232 R237 C238 A594 Y599	I231-I235 HydrophobicContact CG2-CD1 4.05Å; I231-I235 WeakPolarHBondContact O-CG1 3.4Å; I231-I235 PolarHBondContact O-N 2.91Å; Q232-I235 WeakPolarHBondContact O-CB 3.46Å; Q232-I235 PolarHBondContact O-N 3.42Å; I235-R237 PolarHBondContact O-N 2.84Å; I235-R237 VanDerWaalsContact O-N 3.16Å; I235-C238 WeakPolarHBondContact O-CB 3.39Å; I235-C238 PolarHBondContact O-N 3.15Å; I235-A594 HydrophobicContact CD1-CB 3.78Å; I235-Y599 WeakPolarHBondContact CG2-OH 3.21Å
236	D	89.1	Confident	83.6	Confident	105 Å²	105	97.1 Å²	97.1	56%	0.561	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-25.3	179	-63.8	-38.9	0	0	0	113.5	Q232	Q232-D236 WeakPolarHBondContact CG-OD2 3.2Å; Q232-D236 PolarHBondContact NE2-OD1 2.99Å; Q232-D236 PolarHBondContact NE2-OD2 3.43Å; Q232-D236 PolarHBondContact O-N 3.25Å; Q232-D236 VanDerWaalsContact O-OD2 3.13Å
237	R	90.4	Very high	82.9	Confident	207 Å²	207	97.8 Å²	97.8	78%	0.781	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	2.2	177.5	-64.6	176.8	-169.5	-171	2.5	113.3	A233 I235 P239	A233-R237 WeakPolarHBondContact O-CB 3.42Å; A233-R237 WeakPolarHBondContact O-CD 3.43Å; A233-R237 WeakPolarHBondContact O-CG 3.3Å; I235-R237 PolarHBondContact O-N 2.84Å; I235-R237 VanDerWaalsContact O-N 3.16Å; R237-P239 WeakPolarHBondContact O-CD 3.31Å
238	C	86.9	Confident	82.5	Confident	85 Å²	85	100.8 Å²	100.8	57%	0.574	51%	0.506	S	S	*	.	S	Bend	trans	-67.8	120	179	-169.7	0	0	0	0	109.1	Q234 I235 I240	Q234-C238 PolarHBondContact O-N 3.07Å; I235-C238 WeakPolarHBondContact O-CB 3.39Å; I235-C238 PolarHBondContact O-N 3.15Å; C238-I240 PolarHBondContact O-N 2.95Å
239	P	82.5	Confident	82.1	Confident	115 Å²	115	97.6 Å²	97.6	75%	0.747	50%	0.499	S	S	*	.			trans	-69.9	104.7	-172.5	27	-34.1	0	0	0	111	R237 G241	R237-P239 WeakPolarHBondContact O-CD 3.31Å; P239-G241 PolarHBondContact O-N 3.36Å; P239-G241 VanDerWaalsContact O-N 3.15Å
240	I	75.1	Confident	81.8	Confident	123 Å²	123	98.6 Å²	98.6	63%	0.631	50%	0.499	S	S	*	.			trans	-61.2	114.8	160.8	-56.3	176.7	0	0	0	106	C238 W247	C238-I240 PolarHBondContact O-N 2.95Å; I240-W247 HydrophobicContact CG2-CB 4.3Å; I240-W247 HydrophobicContact CG2-CD2 4.34Å; I240-W247 HydrophobicContact CG2-CG 3.94Å
241	G	67.8	Low	81.6	Confident	52 Å²	52	98.8 Å²	98.8	54%	0.536	50%	0.502	S	S	.	.			trans	-54.3	143.4	-164.7	0	0	0	0	0	114	P239 R243	P239-G241 PolarHBondContact O-N 3.36Å; P239-G241 VanDerWaalsContact O-N 3.15Å; G241-R243 PolarHBondContact O-N 3.34Å
242	E	61.7	Low	81.5	Confident	194 Å²	194	100.4 Å²	100.4	91%	0.907	51%	0.51	S	S	*	.	S	Bend	trans	-54.2	1.8	-161.7	-56.4	177.7	151.3	0	0	118	E244	E242-E244 PolarHBondContact O-N 2.72Å
243	R	61.5	Low	81.5	Confident	165 Å²	165	103.1 Å²	103.1	62%	0.623	52%	0.521	S	S	*	.			trans	-83.9	68.4	174.4	-64.9	-171.9	-73.6	147.7	-0.7	110	G241 E246	G241-R243 PolarHBondContact O-N 3.34Å; R243-E246 HydrophobicContact CB-CB 4.16Å; R243-E246 HydrophobicContact CB-CG 4.04Å; R243-E246 WeakPolarHBondContact CD-OE1 3.38Å; R243-E246 IonicContact CZ-OE1 2.77Å; R243-E246 IonicContact CZ-OE2 3.55Å; R243-E246 IonicContact NE-OE1 3.52Å; R243-E246 IonicContact NE-OE2 3.35Å; R243-E246 IonicContact NH1-OE1 3.4Å; R243-E246 PolarHBondContact NH1-OE1 2.94Å; R243-E246 IonicContact NH1-OE2 2.69Å; R243-E246 PolarHBondContact NH1-OE2 3.17Å; R243-E246 IonicContact NH2-OE2 3.45Å; R243-E246 WeakPolarHBondContact O-CB 3.42Å; R243-E246 PolarHBondContact O-N 3.1Å; R243-E246 VanDerWaalsContact O-N 3.15Å
244	E	58.9	Low	81.4	Confident	171 Å²	171	103.3 Å²	103.3	80%	0.799	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	141.8	168.6	-64.4	-168.7	136.9	0	0	110.5	E242 E246	E242-E244 PolarHBondContact O-N 2.72Å; E244-E246 VanDerWaalsContact C-N 3.26Å; E244-E246 PolarHBondContact O-N 3Å
245	G	65.3	Low	81.5	Confident	34 Å²	34	99 Å²	99	35%	0.351	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	-35.7	-172.9	0	0	0	0	0	115.1	Q248 S249	G245-Q248 PolarHBondContact O-N 3.21Å; G245-S249 VanDerWaalsContact O-CB 3.28Å; G245-S249 WeakPolarHBondContact O-CB 3.5Å; G245-S249 PolarHBondContact O-N 3Å
246	E	76.3	Confident	81.6	Confident	96 Å²	96	96.2 Å²	96.2	45%	0.449	49%	0.487	S	S	.	.	H	α-helix	trans	-64.3	-50.9	175.3	-78.4	-166.7	-168.1	0	0	111.2	R243 E244 Q248 S249 M250	R243-E246 HydrophobicContact CB-CB 4.16Å; R243-E246 HydrophobicContact CB-CG 4.04Å; R243-E246 WeakPolarHBondContact CD-OE1 3.38Å; R243-E246 IonicContact CZ-OE1 2.77Å; R243-E246 IonicContact CZ-OE2 3.55Å; R243-E246 IonicContact NE-OE1 3.52Å; R243-E246 IonicContact NE-OE2 3.35Å; R243-E246 IonicContact NH1-OE1 3.4Å; R243-E246 PolarHBondContact NH1-OE1 2.94Å; R243-E246 IonicContact NH1-OE2 2.69Å; R243-E246 PolarHBondContact NH1-OE2 3.17Å; R243-E246 IonicContact NH2-OE2 3.45Å; R243-E246 WeakPolarHBondContact O-CB 3.42Å; R243-E246 PolarHBondContact O-N 3.1Å; R243-E246 VanDerWaalsContact O-N 3.15Å; E244-E246 VanDerWaalsContact C-N 3.26Å; E244-E246 PolarHBondContact O-N 3Å; E246-Q248 VanDerWaalsContact C-N 3.32Å; E246-Q248 PolarHBondContact O-N 3.2Å; E246-S249 PolarHBondContact O-N 3.37Å; E246-M250 WeakPolarHBondContact O-CB 3.46Å; E246-M250 PolarHBondContact O-N 3.4Å
247	W	82.6	Confident	81.7	Confident	103 Å²	103	93.3 Å²	93.3	39%	0.39	47%	0.474	S	S	.	.	H	α-helix	trans	-65.5	-36.6	178.8	67.6	-100.7	0	0	0	111.6	I240 M250 I251	I240-W247 HydrophobicContact CG2-CB 4.3Å; I240-W247 HydrophobicContact CG2-CD2 4.34Å; I240-W247 HydrophobicContact CG2-CG 3.94Å; W247-M250 WeakPolarHBondContact O-CB 3.37Å; W247-M250 PolarHBondContact O-N 2.82Å; W247-I251 HydrophobicContact CE3-CD1 3.83Å; W247-I251 HydrophobicContact CZ3-CD1 4.09Å; W247-I251 WeakPolarHBondContact O-CG1 3.39Å; W247-I251 PolarHBondContact O-N 2.85Å
248	Q	86.5	Confident	81.9	Confident	101 Å²	101	86.9 Å²	86.9	47%	0.472	45%	0.451	S	S	.	.	H	α-helix	trans	-66.5	-45.2	177.9	-168.1	-177.5	19.4	0	0	111	G245 E246 M250 I251 Q252	G245-Q248 PolarHBondContact O-N 3.21Å; E246-Q248 VanDerWaalsContact C-N 3.32Å; E246-Q248 PolarHBondContact O-N 3.2Å; Q248-M250 VanDerWaalsContact C-N 3.31Å; Q248-M250 PolarHBondContact O-N 3.43Å; Q248-I251 PolarHBondContact O-N 3.29Å; Q248-Q252 WeakPolarHBondContact O-CB 3.14Å; Q248-Q252 VanDerWaalsContact O-CG 3.26Å; Q248-Q252 WeakPolarHBondContact O-CG 3.47Å; Q248-Q252 PolarHBondContact O-N 3.48Å
249	S	87.3	Confident	82.1	Confident	29 Å²	29	83.8 Å²	83.8	20%	0.203	43%	0.428	C	S	.	.	H	α-helix	trans	-64.3	-35.5	174.4	-171	0	0	0	0	111.9	G245 E246 Q252 K253	G245-S249 VanDerWaalsContact O-CB 3.28Å; G245-S249 WeakPolarHBondContact O-CB 3.5Å; G245-S249 PolarHBondContact O-N 3Å; E246-S249 PolarHBondContact O-N 3.37Å; S249-Q252 PolarHBondContact O-N 3.03Å; S249-K253 WeakPolarHBondContact O-CB 3.37Å; S249-K253 WeakPolarHBondContact O-CD 3.37Å; S249-K253 VanDerWaalsContact O-CG 3.25Å; S249-K253 WeakPolarHBondContact O-CG 3.47Å; S249-K253 PolarHBondContact O-N 3.46Å; S249-K253 WeakPolarHBondContact OG-CE 3.43Å; S249-K253 PolarHBondContact OG-NZ 3.38Å
250	M	88.4	Confident	82.6	Confident	113 Å²	113	79 Å²	79	56%	0.557	40%	0.396	S	S	*	.	H	α-helix	trans	-62.6	-49.4	173.8	-169.8	-172.6	-57.5	0	0	111.5	E246 W247 Q248 Q252 K253 M254	E246-M250 WeakPolarHBondContact O-CB 3.46Å; E246-M250 PolarHBondContact O-N 3.4Å; W247-M250 WeakPolarHBondContact O-CB 3.37Å; W247-M250 PolarHBondContact O-N 2.82Å; Q248-M250 VanDerWaalsContact C-N 3.31Å; Q248-M250 PolarHBondContact O-N 3.43Å; M250-Q252 PolarHBondContact O-N 2.71Å; M250-K253 PolarHBondContact O-N 3.47Å; M250-M254 HydrophobicContact CG-SD 4.07Å; M250-M254 VanDerWaalsContact O-CG 3.28Å; M250-M254 WeakPolarHBondContact O-CG 3.12Å; M250-M254 PolarHBondContact O-N 2.66Å
251	I	90.1	Very high	83.4	Confident	86 Å²	86	73.7 Å²	73.7	44%	0.441	37%	0.369	S	S	.	.	H	α-helix	trans	-62	-43.3	176.9	-68.1	177.3	0	0	0	110.8	W247 Q248 K253 M254 V255	W247-I251 HydrophobicContact CE3-CD1 3.83Å; W247-I251 HydrophobicContact CZ3-CD1 4.09Å; W247-I251 WeakPolarHBondContact O-CG1 3.39Å; W247-I251 PolarHBondContact O-N 2.85Å; Q248-I251 PolarHBondContact O-N 3.29Å; I251-K253 VanDerWaalsContact C-N 3.33Å; I251-K253 PolarHBondContact O-N 3.04Å; I251-M254 PolarHBondContact O-N 3.28Å; I251-M254 VanDerWaalsContact O-N 3.13Å; I251-V255 HydrophobicContact CG2-CG2 4.28Å; I251-V255 WeakPolarHBondContact O-CG2 3.29Å; I251-V255 PolarHBondContact O-N 2.99Å
252	Q	92.6	Very high	84.5	Confident	43 Å²	43	73.2 Å²	73.2	20%	0.201	35%	0.353	C	S	.	.	H	α-helix	trans	-58.1	-43.1	175.2	-72.9	166.9	-13.5	0	0	111.9	Q248 S249 M250 V255 A256 F271 T275 Q277	Q248-Q252 WeakPolarHBondContact O-CB 3.14Å; Q248-Q252 VanDerWaalsContact O-CG 3.26Å; Q248-Q252 WeakPolarHBondContact O-CG 3.47Å; Q248-Q252 PolarHBondContact O-N 3.48Å; S249-Q252 PolarHBondContact O-N 3.03Å; M250-Q252 PolarHBondContact O-N 2.71Å; Q252-V255 PolarHBondContact O-N 3.23Å; Q252-A256 VanDerWaalsContact O-CB 3.32Å; Q252-A256 WeakPolarHBondContact O-CB 3.14Å; Q252-A256 PolarHBondContact O-N 2.99Å; Q252-F271 HydrophobicContact CB-CE1 4.38Å; Q252-F271 HydrophobicContact CB-CZ 4.38Å; Q252-F271 HydrophobicContact CG-CZ 4.31Å; Q252-F271 WeakPolarHBondContact O-CE1 3.46Å; Q252-T275 HydrophobicContact CG-CG2 4.06Å; Q252-Q277 HydrophobicContact CB-CG 4.02Å
253	K	91.4	Very high	85.9	Confident	114 Å²	114	64 Å²	64	50%	0.496	31%	0.31	S	S	.	.	H	α-helix	trans	-63.9	-39.9	174.4	-72.8	161.5	-179.4	146.8	0	112.4	S249 M250 I251 S257	S249-K253 WeakPolarHBondContact O-CB 3.37Å; S249-K253 WeakPolarHBondContact O-CD 3.37Å; S249-K253 VanDerWaalsContact O-CG 3.25Å; S249-K253 WeakPolarHBondContact O-CG 3.47Å; S249-K253 PolarHBondContact O-N 3.46Å; S249-K253 WeakPolarHBondContact OG-CE 3.43Å; S249-K253 PolarHBondContact OG-NZ 3.38Å; M250-K253 PolarHBondContact O-N 3.47Å; I251-K253 VanDerWaalsContact C-N 3.33Å; I251-K253 PolarHBondContact O-N 3.04Å; K253-S257 WeakPolarHBondContact O-CB 3.23Å; K253-S257 PolarHBondContact O-N 2.89Å
254	M	92.6	Very high	87.2	Confident	35 Å²	35	61.4 Å²	61.4	17%	0.172	30%	0.301	C	S	.	.	H	α-helix	trans	-66.5	-40.3	177.1	-69	170.2	64.2	0	0	112.1	M250 I251 Y258 P568 L569 A572	M250-M254 HydrophobicContact CG-SD 4.07Å; M250-M254 VanDerWaalsContact O-CG 3.28Å; M250-M254 WeakPolarHBondContact O-CG 3.12Å; M250-M254 PolarHBondContact O-N 2.66Å; I251-M254 PolarHBondContact O-N 3.28Å; I251-M254 VanDerWaalsContact O-N 3.13Å; M254-Y258 WeakPolarHBondContact O-CB 3.28Å; M254-Y258 PolarHBondContact O-N 2.95Å; M254-P568 HydrophobicContact CG-CB 4.27Å; M254-L569 HydrophobicContact CB-CB 4.27Å; M254-L569 HydrophobicContact CE-CB 4.48Å; M254-L569 HydrophobicContact CE-CD1 4.17Å; M254-A572 HydrophobicContact CE-CB 3.75Å
255	V	93.8	Very high	88.6	Confident	39 Å²	39	53.7 Å²	53.7	24%	0.236	27%	0.266	C	S	.	.	H	α-helix	trans	-68.8	-47	174.8	172.8	0	0	0	0	111.2	I251 Q252 S257 Y258 L259 F271 L569	I251-V255 HydrophobicContact CG2-CG2 4.28Å; I251-V255 WeakPolarHBondContact O-CG2 3.29Å; I251-V255 PolarHBondContact O-N 2.99Å; Q252-V255 PolarHBondContact O-N 3.23Å; V255-S257 VanDerWaalsContact C-N 3.32Å; V255-S257 PolarHBondContact O-N 2.93Å; V255-Y258 WeakPolarHBondContact O-CB 3.33Å; V255-Y258 PolarHBondContact O-N 3.24Å; V255-Y258 VanDerWaalsContact O-N 3.12Å; V255-L259 HydrophobicContact CG1-CD1 4.11Å; V255-L259 HydrophobicContact CG1-CG 4.35Å; V255-L259 WeakPolarHBondContact O-CG 3.33Å; V255-L259 PolarHBondContact O-N 3.47Å; V255-F271 HydrophobicContact CB-CE1 4.12Å; V255-F271 HydrophobicContact CB-CE2 4.45Å; V255-F271 HydrophobicContact CB-CZ 3.81Å; V255-F271 HydrophobicContact CG1-CD1 4.43Å; V255-F271 HydrophobicContact CG1-CD2 4.26Å; V255-F271 HydrophobicContact CG1-CE1 3.93Å; V255-F271 HydrophobicContact CG1-CE2 3.73Å; V255-F271 HydrophobicContact CG1-CZ 3.54Å; V255-L569 HydrophobicContact CG2-CD2 4.25Å
256	A	92.7	Very high	89.8	Confident	11 Å²	11	55.6 Å²	55.6	9%	0.091	28%	0.278	C	S	.	.	H	α-helix	trans	-58.7	-43.8	175.7	0	0	0	0	0	111.6	Q252 Y258 L259 V260 F271 Q277	Q252-A256 VanDerWaalsContact O-CB 3.32Å; Q252-A256 WeakPolarHBondContact O-CB 3.14Å; Q252-A256 PolarHBondContact O-N 2.99Å; A256-Y258 PolarHBondContact O-N 3.29Å; A256-L259 PolarHBondContact O-N 3.49Å; A256-V260 WeakPolarHBondContact O-CG2 3.39Å; A256-V260 PolarHBondContact O-N 3.49Å; A256-F271 HydrophobicContact CB-CD1 4.13Å; A256-F271 HydrophobicContact CB-CE1 4.15Å; A256-Q277 HydrophobicContact CB-CB 4.36Å
257	S	91.9	Very high	90.5	Very high	43 Å²	43	54.9 Å²	54.9	30%	0.301	28%	0.28	S	S	.	.	H	α-helix	trans	-59.8	-42.1	173.7	177.8	0	0	0	0	112.4	K253 V255 H261 P568	K253-S257 WeakPolarHBondContact O-CB 3.23Å; K253-S257 PolarHBondContact O-N 2.89Å; V255-S257 VanDerWaalsContact C-N 3.32Å; V255-S257 PolarHBondContact O-N 2.93Å; S257-H261 VanDerWaalsContact O-CB 3.25Å; S257-H261 WeakPolarHBondContact O-CB 3.38Å; S257-H261 PolarHBondContact O-N 3.42Å; S257-P568 WeakPolarHBondContact OG-CD 3.3Å
258	Y	93.3	Very high	90.9	Very high	73 Å²	73	50.2 Å²	50.2	29%	0.286	26%	0.264	S	S	.	.	H	α-helix	trans	-62.9	-47.3	175.4	-179	-85.8	0	0	0	112.2	M254 V255 A256 V260 H261 H262 Y264 P567 L569	M254-Y258 WeakPolarHBondContact O-CB 3.28Å; M254-Y258 PolarHBondContact O-N 2.95Å; V255-Y258 WeakPolarHBondContact O-CB 3.33Å; V255-Y258 PolarHBondContact O-N 3.24Å; V255-Y258 VanDerWaalsContact O-N 3.12Å; A256-Y258 PolarHBondContact O-N 3.29Å; Y258-V260 VanDerWaalsContact C-N 3.33Å; Y258-V260 PolarHBondContact O-N 2.93Å; Y258-H261 PolarHBondContact O-N 2.89Å; Y258-H262 AromaticContact CD2-CD2 3.86Å; Y258-H262 AromaticContact CE1-CD2 4Å; Y258-H262 AromaticContact CE2-CD2 3.55Å; Y258-H262 AromaticContact CE2-NE2 3.39Å; Y258-H262 WeakPolarHBondContact CE2-NE2 3.37Å; Y258-H262 AromaticContact CZ-CD2 3.61Å; Y258-H262 AromaticContact CZ-NE2 3.69Å; Y258-H262 PolarHBondContact O-CD2 3.14Å; Y258-H262 PolarHBondContact O-N 3.24Å; Y258-Y264 HydrophobicContact CE1-CE2 4.1Å; Y258-P567 HydrophobicContact CD2-CB 4.06Å; Y258-P567 HydrophobicContact CD2-CG 3.51Å; Y258-P567 HydrophobicContact CE2-CG 4.14Å; Y258-P567 HydrophobicContact CG-CG 4.39Å; Y258-L569 HydrophobicContact CD2-CB 4.45Å; Y258-L569 HydrophobicContact CD2-CD2 4.28Å; Y258-L569 HydrophobicContact CG-CD2 4.17Å
259	L	92.9	Very high	91.1	Very high	19 Å²	19	50 Å²	50	10%	0.099	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-39.8	179.3	-66.3	173.8	0	0	0	112.2	V255 A256 S263 Y264 T267 A268 F271	V255-L259 HydrophobicContact CG1-CD1 4.11Å; V255-L259 HydrophobicContact CG1-CG 4.35Å; V255-L259 WeakPolarHBondContact O-CG 3.33Å; V255-L259 PolarHBondContact O-N 3.47Å; A256-L259 PolarHBondContact O-N 3.49Å; L259-S263 PolarHBondContact O-N 3.34Å; L259-Y264 HydrophobicContact CD2-CD2 3.92Å; L259-Y264 PolarHBondContact O-N 3.39Å; L259-T267 HydrophobicContact CD1-CG2 4.11Å; L259-T267 HydrophobicContact CD2-CG2 3.92Å; L259-A268 HydrophobicContact CB-CB 3.85Å; L259-F271 HydrophobicContact CD1-CB 3.79Å; L259-F271 HydrophobicContact CD1-CD1 4.29Å; L259-F271 HydrophobicContact CD1-CD2 4.41Å; L259-F271 HydrophobicContact CD1-CG 3.91Å
260	V	91.8	Very high	91.4	Very high	14 Å²	14	51.6 Å²	51.6	9%	0.085	28%	0.278	C	S	.	.	H	α-helix	trans	-67.9	-47.6	174.1	172.7	0	0	0	0	111	A256 Y258 H262 S263 A268 V279 E281 I286 R289	A256-V260 WeakPolarHBondContact O-CG2 3.39Å; A256-V260 PolarHBondContact O-N 3.49Å; Y258-V260 VanDerWaalsContact C-N 3.33Å; Y258-V260 PolarHBondContact O-N 2.93Å; V260-H262 VanDerWaalsContact C-N 3.34Å; V260-H262 PolarHBondContact O-N 3.26Å; V260-S263 PolarHBondContact O-N 3.13Å; V260-A268 HydrophobicContact CG2-CB 4.05Å; V260-V279 HydrophobicContact CG2-CG1 3.98Å; V260-E281 HydrophobicContact CG1-CB 3.85Å; V260-E281 WeakPolarHBondContact CG1-OE2 3.45Å; V260-I286 HydrophobicContact CG1-CD1 4.02Å; V260-I286 HydrophobicContact CG1-CG1 4.25Å; V260-R289 PolarHBondContact O-NH2 2.82Å
261	H	91.8	Very high	91.6	Very high	12 Å²	12	48.6 Å²	48.6	6%	0.056	26%	0.262	C	S	.	.	H	α-helix	trans	-55.8	-46.6	179.2	-176.2	-71.2	0	0	0	111.8	S257 Y258 S263 R289 N554 L558 K565 P567	S257-H261 VanDerWaalsContact O-CB 3.25Å; S257-H261 WeakPolarHBondContact O-CB 3.38Å; S257-H261 PolarHBondContact O-N 3.42Å; Y258-H261 PolarHBondContact O-N 2.89Å; H261-S263 PolarHBondContact O-N 2.85Å; H261-R289 PolarHBondContact O-NH1 3.45Å; H261-N554 PolarHBondContact CE1-ND2 3.21Å; H261-N554 PolarHBondContact ND1-ND2 2.97Å; H261-N554 PolarHBondContact O-ND2 2.75Å; H261-L558 WeakPolarHBondContact CD2-CD1 3.22Å; H261-L558 VanDerWaalsContact NE2-CD1 3.31Å; H261-L558 WeakPolarHBondContact NE2-CD1 3.49Å; H261-K565 PolarHBondContact NE2-O 2.91Å; H261-P567 HydrophobicContact CB-CB 4.07Å; H261-P567 HydrophobicContact CB-CG 4.41Å
262	H	90.9	Very high	91.7	Very high	42 Å²	42	45 Å²	45	19%	0.194	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	9.4	178	-71.9	-97.8	0	0	0	114.6	Y258 V260 Y264	Y258-H262 AromaticContact CD2-CD2 3.86Å; Y258-H262 AromaticContact CE1-CD2 4Å; Y258-H262 AromaticContact CE2-CD2 3.55Å; Y258-H262 AromaticContact CE2-NE2 3.39Å; Y258-H262 WeakPolarHBondContact CE2-NE2 3.37Å; Y258-H262 AromaticContact CZ-CD2 3.61Å; Y258-H262 AromaticContact CZ-NE2 3.69Å; Y258-H262 PolarHBondContact O-CD2 3.14Å; Y258-H262 PolarHBondContact O-N 3.24Å; V260-H262 VanDerWaalsContact C-N 3.34Å; V260-H262 PolarHBondContact O-N 3.26Å; H262-Y264 VanDerWaalsContact C-N 3.29Å; H262-Y264 HydrophobicContact CB-CD2 3.67Å; H262-Y264 HydrophobicContact CB-CE1 4.46Å; H262-Y264 HydrophobicContact CB-CE2 3.28Å; H262-Y264 HydrophobicContact CB-CG 4.41Å; H262-Y264 PolarHBondContact O-N 2.92Å
263	S	90.8	Very high	91.6	Very high	1 Å²	1	52 Å²	52	1%	0.007	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	30.8	176.9	-39.3	0	0	0	0	115.4	L259 V260 H261 C265 R289 Q290 Q293	L259-S263 PolarHBondContact O-N 3.34Å; V260-S263 PolarHBondContact O-N 3.13Å; H261-S263 PolarHBondContact O-N 2.85Å; S263-C265 PolarHBondContact O-N 3.22Å; S263-R289 WeakPolarHBondContact OG-CB 3.39Å; S263-R289 PolarHBondContact OG-NH1 3.42Å; S263-Q290 PolarHBondContact O-NE2 3.09Å; S263-Q293 PolarHBondContact OG-OE1 3.21Å
264	Y	90.3	Very high	91.7	Very high	110 Å²	110	51 Å²	51	43%	0.431	28%	0.282	S	S	.	.			trans	-78.1	55.6	175.2	-58.4	-47.7	0	0	0	111.2	Y258 L259 H262 A266 T267 A268	Y258-Y264 HydrophobicContact CE1-CE2 4.1Å; L259-Y264 HydrophobicContact CD2-CD2 3.92Å; L259-Y264 PolarHBondContact O-N 3.39Å; H262-Y264 VanDerWaalsContact C-N 3.29Å; H262-Y264 HydrophobicContact CB-CD2 3.67Å; H262-Y264 HydrophobicContact CB-CE1 4.46Å; H262-Y264 HydrophobicContact CB-CE2 3.28Å; H262-Y264 HydrophobicContact CB-CG 4.41Å; H262-Y264 PolarHBondContact O-N 2.92Å; Y264-A266 PolarHBondContact O-N 2.97Å; Y264-T267 CarbonylContact O-C 3.58Å; Y264-T267 WeakPolarHBondContact O-CA 3.42Å; Y264-T267 WeakPolarHBondContact O-CB 3.3Å; Y264-T267 PolarHBondContact O-N 3.47Å; Y264-A268 PolarHBondContact O-N 3.08Å
265	C	87.7	Confident	91.7	Very high	9 Å²	9	50.4 Å²	50.4	6%	0.061	28%	0.28	C	S	.	.	H	α-helix	trans	-42.6	-57.6	-167.8	-155.6	0	0	0	0	114.4	S263 T267 A268 E269 L283 I286	S263-C265 PolarHBondContact O-N 3.22Å; C265-T267 PolarHBondContact O-N 3.49Å; C265-A268 PolarHBondContact O-N 3.1Å; C265-E269 WeakPolarHBondContact O-CB 3.47Å; C265-E269 VanDerWaalsContact O-CG 3.31Å; C265-E269 WeakPolarHBondContact O-CG 3.39Å; C265-E269 PolarHBondContact O-N 3Å; C265-E269 PolarHBondContact SG-OE1 2.81Å; C265-L283 WeakPolarHBondContact SG-CD1 3.24Å; C265-I286 HydrophobicContact CB-CG2 4.13Å
266	A	89.3	Confident	91.4	Very high	74 Å²	74	55.9 Å²	55.9	61%	0.612	31%	0.308	S	S	*	.	H	α-helix	trans	-64.9	-36.3	-179.1	0	0	0	0	0	113.1	Y264 A270	Y264-A266 PolarHBondContact O-N 2.97Å; A266-A270 VanDerWaalsContact O-CB 3.31Å; A266-A270 WeakPolarHBondContact O-CB 3.43Å; A266-A270 PolarHBondContact O-N 3.41Å
267	T	92.4	Very high	91.1	Very high	81 Å²	81	56.7 Å²	56.7	50%	0.497	31%	0.31	S	S	.	.	H	α-helix	trans	-69.3	-40.9	175.2	-42.5	0	0	0	0	110.9	L259 Y264 C265 A270 F271	L259-T267 HydrophobicContact CD1-CG2 4.11Å; L259-T267 HydrophobicContact CD2-CG2 3.92Å; Y264-T267 CarbonylContact O-C 3.58Å; Y264-T267 WeakPolarHBondContact O-CA 3.42Å; Y264-T267 WeakPolarHBondContact O-CB 3.3Å; Y264-T267 PolarHBondContact O-N 3.47Å; C265-T267 PolarHBondContact O-N 3.49Å; T267-A270 PolarHBondContact O-N 2.93Å; T267-F271 WeakPolarHBondContact O-CB 3.4Å; T267-F271 PolarHBondContact O-N 3.33Å
268	A	91.3	Very high	90.7	Very high	5 Å²	5	57.7 Å²	57.7	4%	0.041	32%	0.321	C	S	.	.	H	α-helix	trans	-64	-45.5	176.1	0	0	0	0	0	111.5	L259 V260 Y264 C265 F271 A272	L259-A268 HydrophobicContact CB-CB 3.85Å; V260-A268 HydrophobicContact CG2-CB 4.05Å; Y264-A268 PolarHBondContact O-N 3.08Å; C265-A268 PolarHBondContact O-N 3.1Å; A268-F271 PolarHBondContact O-N 3.18Å; A268-A272 WeakPolarHBondContact O-CB 3.45Å; A268-A272 PolarHBondContact O-N 3.46Å
269	E	89.5	Confident	89.9	Confident	97 Å²	97	57.3 Å²	57.3	45%	0.453	33%	0.326	S	S	.	.	H	α-helix	trans	-60.6	-46.8	175.4	-73	167.4	-149.2	0	0	111.8	C265 K273 L283	C265-E269 WeakPolarHBondContact O-CB 3.47Å; C265-E269 VanDerWaalsContact O-CG 3.31Å; C265-E269 WeakPolarHBondContact O-CG 3.39Å; C265-E269 PolarHBondContact O-N 3Å; C265-E269 PolarHBondContact SG-OE1 2.81Å; E269-K273 WeakPolarHBondContact O-CB 3.47Å; E269-K273 PolarHBondContact O-N 2.68Å; E269-K273 VanDerWaalsContact O-N 3.11Å; E269-L283 WeakPolarHBondContact OE1-CD1 3.35Å
270	A	93.1	Very high	89	Confident	62 Å²	62	64.1 Å²	64.1	51%	0.512	36%	0.357	S	S	.	.	H	α-helix	trans	-65.6	-43.4	178.5	0	0	0	0	0	112.5	A266 T267 K273 S274	A266-A270 VanDerWaalsContact O-CB 3.31Å; A266-A270 WeakPolarHBondContact O-CB 3.43Å; A266-A270 PolarHBondContact O-N 3.41Å; T267-A270 PolarHBondContact O-N 2.93Å; A270-K273 PolarHBondContact O-N 3.31Å; A270-S274 PolarHBondContact O-N 3.21Å; A270-S274 VanDerWaalsContact O-N 3.1Å; A270-S274 PolarHBondContact O-OG 3.44Å
271	F	94.1	Very high	88.5	Confident	50 Å²	50	64.7 Å²	64.7	22%	0.219	36%	0.359	C	S	.	.	H	α-helix	trans	-68	-45.2	178.7	-176	-87.8	0	0	0	112	Q252 V255 A256 L259 T267 A268 K273 S274 T275	Q252-F271 HydrophobicContact CB-CE1 4.38Å; Q252-F271 HydrophobicContact CB-CZ 4.38Å; Q252-F271 HydrophobicContact CG-CZ 4.31Å; Q252-F271 WeakPolarHBondContact O-CE1 3.46Å; V255-F271 HydrophobicContact CB-CE1 4.12Å; V255-F271 HydrophobicContact CB-CE2 4.45Å; V255-F271 HydrophobicContact CB-CZ 3.81Å; V255-F271 HydrophobicContact CG1-CD1 4.43Å; V255-F271 HydrophobicContact CG1-CD2 4.26Å; V255-F271 HydrophobicContact CG1-CE1 3.93Å; V255-F271 HydrophobicContact CG1-CE2 3.73Å; V255-F271 HydrophobicContact CG1-CZ 3.54Å; A256-F271 HydrophobicContact CB-CD1 4.13Å; A256-F271 HydrophobicContact CB-CE1 4.15Å; L259-F271 HydrophobicContact CD1-CB 3.79Å; L259-F271 HydrophobicContact CD1-CD1 4.29Å; L259-F271 HydrophobicContact CD1-CD2 4.41Å; L259-F271 HydrophobicContact CD1-CG 3.91Å; T267-F271 WeakPolarHBondContact O-CB 3.4Å; T267-F271 PolarHBondContact O-N 3.33Å; A268-F271 PolarHBondContact O-N 3.18Å; F271-K273 VanDerWaalsContact C-N 3.29Å; F271-K273 PolarHBondContact O-N 3.07Å; F271-S274 PolarHBondContact O-N 3Å; F271-S274 VanDerWaalsContact O-N 3.15Å; F271-S274 PolarHBondContact O-OG 3.38Å; F271-S274 VanDerWaalsContact O-OG 3.08Å; F271-T275 HydrophobicContact CD1-CG2 4.4Å; F271-T275 HydrophobicContact CD2-CG2 4.45Å; F271-T275 HydrophobicContact CE1-CG2 4.02Å; F271-T275 WeakPolarHBondContact CE1-OG1 3.11Å; F271-T275 HydrophobicContact CE2-CG2 4.09Å; F271-T275 HydrophobicContact CZ-CG2 3.86Å; F271-T275 WeakPolarHBondContact O-CB 3.32Å; F271-T275 PolarHBondContact O-N 2.93Å; F271-T275 PolarHBondContact O-OG1 3.29Å
272	A	90.8	Very high	88.2	Confident	12 Å²	12	71 Å²	71	10%	0.099	39%	0.389	C	S	.	.	H	α-helix	trans	-56.4	-44.8	175.4	0	0	0	0	0	111.3	A268 S274 T275 D276 Q277 V279	A268-A272 WeakPolarHBondContact O-CB 3.45Å; A268-A272 PolarHBondContact O-N 3.46Å; A272-S274 PolarHBondContact O-N 3.24Å; A272-T275 PolarHBondContact O-N 3.49Å; A272-D276 WeakPolarHBondContact O-CA 3.41Å; A272-D276 PolarHBondContact O-N 3.07Å; A272-Q277 WeakPolarHBondContact CB-O 3.33Å; A272-Q277 PolarHBondContact O-N 3.06Å; A272-Q277 VanDerWaalsContact O-N 3.13Å; A272-V279 HydrophobicContact CB-CG2 3.79Å
273	K	91.2	Very high	87.8	Confident	189 Å²	189	72.8 Å²	72.8	82%	0.822	40%	0.399	S	S	*	.	H	α-helix	trans	-66.3	-31.8	177.2	-173.3	180	178.3	-176.1	0	113.7	E269 A270 F271	E269-K273 WeakPolarHBondContact O-CB 3.47Å; E269-K273 PolarHBondContact O-N 2.68Å; E269-K273 VanDerWaalsContact O-N 3.11Å; A270-K273 PolarHBondContact O-N 3.31Å; F271-K273 VanDerWaalsContact C-N 3.29Å; F271-K273 PolarHBondContact O-N 3.07Å
274	S	94.1	Very high	87.6	Confident	92 Å²	92	74.9 Å²	74.9	64%	0.643	42%	0.416	S	S	*	.	H	α-helix	trans	-87.3	-14.1	179.2	65.1	0	0	0	0	114.3	A270 F271 A272	A270-S274 PolarHBondContact O-N 3.21Å; A270-S274 VanDerWaalsContact O-N 3.1Å; A270-S274 PolarHBondContact O-OG 3.44Å; F271-S274 PolarHBondContact O-N 3Å; F271-S274 VanDerWaalsContact O-N 3.15Å; F271-S274 PolarHBondContact O-OG 3.38Å; F271-S274 VanDerWaalsContact O-OG 3.08Å; A272-S274 PolarHBondContact O-N 3.24Å
275	T	91.9	Very high	87.6	Confident	23 Å²	23	70.5 Å²	70.5	14%	0.141	40%	0.402	C	S	.	.	H	α-helix	trans	-121.1	6.8	-176.4	58.3	0	0	0	0	114.2	Q252 F271 A272 Q277	Q252-T275 HydrophobicContact CG-CG2 4.06Å; F271-T275 HydrophobicContact CD1-CG2 4.4Å; F271-T275 HydrophobicContact CD2-CG2 4.45Å; F271-T275 HydrophobicContact CE1-CG2 4.02Å; F271-T275 WeakPolarHBondContact CE1-OG1 3.11Å; F271-T275 HydrophobicContact CE2-CG2 4.09Å; F271-T275 HydrophobicContact CZ-CG2 3.86Å; F271-T275 WeakPolarHBondContact O-CB 3.32Å; F271-T275 PolarHBondContact O-N 2.93Å; F271-T275 PolarHBondContact O-OG1 3.29Å; A272-T275 PolarHBondContact O-N 3.49Å; T275-Q277 VanDerWaalsContact C-N 3.27Å; T275-Q277 PolarHBondContact O-N 3.26Å; T275-Q277 PolarHBondContact O-NE2 2.88Å; T275-Q277 WeakPolarHBondContact OG1-CG 3.47Å
276	D	88.4	Confident	87.6	Confident	154 Å²	154	70.3 Å²	70.3	82%	0.824	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	44.2	-176	-157.5	34.6	0	0	0	113.3	A272	A272-D276 WeakPolarHBondContact O-CA 3.41Å; A272-D276 PolarHBondContact O-N 3.07Å
277	Q	86.5	Confident	87.7	Confident	29 Å²	29	71.6 Å²	71.6	14%	0.136	39%	0.392	C	S	.	.			trans	-103.7	136.6	-179.8	-62.7	-47.7	-50.8	0	0	112.2	Q252 A256 A272 T275	Q252-Q277 HydrophobicContact CB-CG 4.02Å; A256-Q277 HydrophobicContact CB-CB 4.36Å; A272-Q277 WeakPolarHBondContact CB-O 3.33Å; A272-Q277 PolarHBondContact O-N 3.06Å; A272-Q277 VanDerWaalsContact O-N 3.13Å; T275-Q277 VanDerWaalsContact C-N 3.27Å; T275-Q277 PolarHBondContact O-N 3.26Å; T275-Q277 PolarHBondContact O-NE2 2.88Å; T275-Q277 WeakPolarHBondContact OG1-CG 3.47Å
278	A	82.3	Confident	87.8	Confident	64 Å²	64	70.3 Å²	70.3	53%	0.529	38%	0.382	S	S	.	.			trans	-76	133.1	176.9	0	0	0	0	0	111.9	H280	A278-H280 PolarHBondContact O-CD2 3.32Å
279	V	77	Confident	87.9	Confident	65 Å²	65	70.1 Å²	70.1	39%	0.394	38%	0.38	S	S	.	.			trans	-85.5	112.7	172.5	176.4	0	0	0	0	108.9	V260 A272 E281 I286	V260-V279 HydrophobicContact CG2-CG1 3.98Å; A272-V279 HydrophobicContact CB-CG2 3.79Å; V279-E281 PolarHBondContact O-N 3.45Å; V279-I286 HydrophobicContact CG1-CD1 4.13Å
280	H	73.6	Confident	88.1	Confident	161 Å²	161	69.5 Å²	69.5	75%	0.745	38%	0.377	S	S	*	.			trans	-98.1	40.3	-174.2	-68.6	-72	0	0	0	114	A278	A278-H280 PolarHBondContact O-CD2 3.32Å
281	E	82.4	Confident	88.3	Confident	27 Å²	27	71.5 Å²	71.5	13%	0.126	38%	0.375	C	S	.	.	S	Bend	trans	-148.2	149.4	168.3	-169.9	-177.9	157.8	0	0	109.8	V260 V279 S285 I286 R289 L563	V260-E281 HydrophobicContact CG1-CB 3.85Å; V260-E281 WeakPolarHBondContact CG1-OE2 3.45Å; V279-E281 PolarHBondContact O-N 3.45Å; E281-S285 WeakPolarHBondContact OE1-CB 3.21Å; E281-S285 PolarHBondContact OE1-OG 3.13Å; E281-I286 HydrophobicContact CB-CD1 4.19Å; E281-I286 HydrophobicContact CB-CG1 4.06Å; E281-I286 HydrophobicContact CG-CG1 3.98Å; E281-I286 PolarHBondContact OE1-N 2.99Å; E281-R289 VanDerWaalsContact CD-NH2 3.3Å; E281-R289 IonicContact OE1-CZ 2.72Å; E281-R289 IonicContact OE1-NE 3.39Å; E281-R289 PolarHBondContact OE1-NE 3.04Å; E281-R289 IonicContact OE1-NH2 3.6Å; E281-R289 PolarHBondContact OE1-NH2 2.97Å; E281-R289 IonicContact OE2-CZ 2.66Å; E281-R289 IonicContact OE2-NE 2.8Å; E281-R289 IonicContact OE2-NH2 2.84Å; E281-R289 PolarHBondContact OE2-NH2 3.38Å; E281-L563 HydrophobicContact CG-CD1 4.14Å
282	E	84.1	Confident	88.4	Confident	144 Å²	144	69.2 Å²	69.2	67%	0.673	37%	0.365	S	S	*	.			trans	-68	133.2	175.4	-166.5	-169.6	158	0	0	111.5	A284 S285 I286	E282-A284 HydrophobicContact CG-CB 4.3Å; E282-A284 PolarHBondContact O-N 3.03Å; E282-A284 VanDerWaalsContact O-N 3.07Å; E282-A284 WeakPolarHBondContact OE1-CB 3.23Å; E282-S285 WeakPolarHBondContact O-CB 3.36Å; E282-S285 PolarHBondContact O-N 2.87Å; E282-I286 PolarHBondContact O-N 3.19Å; E282-I286 VanDerWaalsContact O-N 3.15Å
283	L	83.4	Confident	88.6	Confident	80 Å²	80	69.7 Å²	69.7	42%	0.419	37%	0.365	S	S	.	.	H	α-helix	trans	-53.6	-31	179.4	-171.4	63.4	0	0	0	113.8	C265 E269 K287	C265-L283 WeakPolarHBondContact SG-CD1 3.24Å; E269-L283 WeakPolarHBondContact OE1-CD1 3.35Å; L283-K287 HydrophobicContact CD1-CD 4.5Å; L283-K287 HydrophobicContact CG-CD 4.19Å; L283-K287 WeakPolarHBondContact O-CB 3.48Å; L283-K287 VanDerWaalsContact O-CG 3.3Å; L283-K287 WeakPolarHBondContact O-CG 3.47Å; L283-K287 PolarHBondContact O-N 2.95Å; L283-K287 VanDerWaalsContact O-N 3.14Å
284	A	86.8	Confident	88.8	Confident	44 Å²	44	68.4 Å²	68.4	36%	0.364	36%	0.359	S	S	.	.	H	α-helix	trans	-67.2	-42.3	174.7	0	0	0	0	0	112.3	E282 K287 N288	E282-A284 HydrophobicContact CG-CB 4.3Å; E282-A284 PolarHBondContact O-N 3.03Å; E282-A284 VanDerWaalsContact O-N 3.07Å; E282-A284 WeakPolarHBondContact OE1-CB 3.23Å; A284-K287 PolarHBondContact O-N 2.94Å; A284-N288 WeakPolarHBondContact O-CB 3.42Å; A284-N288 VanDerWaalsContact O-CG 3.22Å; A284-N288 PolarHBondContact O-N 3.35Å; A284-N288 PolarHBondContact O-ND2 2.93Å
285	S	89.3	Confident	89	Confident	18 Å²	18	64.9 Å²	64.9	13%	0.126	33%	0.333	C	S	.	.	H	α-helix	trans	-64.6	-46.7	176.2	179.3	0	0	0	0	111.3	E281 E282 K287 N288 R289	E281-S285 WeakPolarHBondContact OE1-CB 3.21Å; E281-S285 PolarHBondContact OE1-OG 3.13Å; E282-S285 WeakPolarHBondContact O-CB 3.36Å; E282-S285 PolarHBondContact O-N 2.87Å; S285-K287 VanDerWaalsContact C-N 3.29Å; S285-K287 PolarHBondContact O-N 2.89Å; S285-N288 WeakPolarHBondContact O-CB 3.42Å; S285-N288 PolarHBondContact O-N 3.27Å; S285-N288 VanDerWaalsContact O-N 3.14Å; S285-R289 WeakPolarHBondContact O-CG 3.27Å; S285-R289 PolarHBondContact O-N 2.65Å
286	I	89.3	Confident	89.2	Confident	5 Å²	5	63.8 Å²	63.8	3%	0.026	33%	0.326	C	S	.	.	H	α-helix	trans	-56	-45.1	176.6	-56.5	173.2	0	0	0	110.6	V260 C265 V279 E281 E282 R289 Q290	V260-I286 HydrophobicContact CG1-CD1 4.02Å; V260-I286 HydrophobicContact CG1-CG1 4.25Å; C265-I286 HydrophobicContact CB-CG2 4.13Å; V279-I286 HydrophobicContact CG1-CD1 4.13Å; E281-I286 HydrophobicContact CB-CD1 4.19Å; E281-I286 HydrophobicContact CB-CG1 4.06Å; E281-I286 HydrophobicContact CG-CG1 3.98Å; E281-I286 PolarHBondContact OE1-N 2.99Å; E282-I286 PolarHBondContact O-N 3.19Å; E282-I286 VanDerWaalsContact O-N 3.15Å; I286-R289 PolarHBondContact O-N 2.69Å; I286-Q290 WeakPolarHBondContact O-CB 3.47Å; I286-Q290 PolarHBondContact O-N 3.3Å
287	K	90.3	Very high	89.5	Confident	101 Å²	101	60.2 Å²	60.2	44%	0.439	31%	0.307	S	S	.	.	H	α-helix	trans	-69	-35.8	178.8	-73.5	171.5	-179.4	173.3	0	113.1	L283 A284 S285 Q290 K291	L283-K287 HydrophobicContact CD1-CD 4.5Å; L283-K287 HydrophobicContact CG-CD 4.19Å; L283-K287 WeakPolarHBondContact O-CB 3.48Å; L283-K287 VanDerWaalsContact O-CG 3.3Å; L283-K287 WeakPolarHBondContact O-CG 3.47Å; L283-K287 PolarHBondContact O-N 2.95Å; L283-K287 VanDerWaalsContact O-N 3.14Å; A284-K287 PolarHBondContact O-N 2.94Å; S285-K287 VanDerWaalsContact C-N 3.29Å; S285-K287 PolarHBondContact O-N 2.89Å; K287-Q290 PolarHBondContact O-N 3.49Å; K287-K291 PolarHBondContact O-N 3.44Å
288	N	93.9	Very high	89.9	Confident	54 Å²	54	61.2 Å²	61.2	29%	0.289	32%	0.317	S	S	.	.	H	α-helix	trans	-63.8	-46.3	173.7	-76.7	-16.1	0	0	0	111.7	A284 S285 K291 I292 L311 Y312	A284-N288 WeakPolarHBondContact O-CB 3.42Å; A284-N288 VanDerWaalsContact O-CG 3.22Å; A284-N288 PolarHBondContact O-N 3.35Å; A284-N288 PolarHBondContact O-ND2 2.93Å; S285-N288 WeakPolarHBondContact O-CB 3.42Å; S285-N288 PolarHBondContact O-N 3.27Å; S285-N288 VanDerWaalsContact O-N 3.14Å; N288-K291 PolarHBondContact O-N 3.1Å; N288-I292 PolarHBondContact O-N 3.28Å; N288-L311 HydrophobicContact CB-CD1 3.91Å; N288-Y312 HydrophobicContact CB-CE2 4.45Å; N288-Y312 WeakPolarHBondContact CB-OH 3.48Å
289	R	94.5	Very high	90.4	Very high	1 Å²	1	58.2 Å²	58.2	0%	0.004	29%	0.292	C	S	.	.	H	α-helix	trans	-63.4	-44.8	174.9	-64.5	-173.5	-55.5	92.1	1.3	111.2	V260 H261 S263 E281 S285 I286 K291 I292 Q293 N554 I557	V260-R289 PolarHBondContact O-NH2 2.82Å; H261-R289 PolarHBondContact O-NH1 3.45Å; S263-R289 WeakPolarHBondContact OG-CB 3.39Å; S263-R289 PolarHBondContact OG-NH1 3.42Å; E281-R289 VanDerWaalsContact CD-NH2 3.3Å; E281-R289 IonicContact OE1-CZ 2.72Å; E281-R289 IonicContact OE1-NE 3.39Å; E281-R289 PolarHBondContact OE1-NE 3.04Å; E281-R289 IonicContact OE1-NH2 3.6Å; E281-R289 PolarHBondContact OE1-NH2 2.97Å; E281-R289 IonicContact OE2-CZ 2.66Å; E281-R289 IonicContact OE2-NE 2.8Å; E281-R289 IonicContact OE2-NH2 2.84Å; E281-R289 PolarHBondContact OE2-NH2 3.38Å; S285-R289 WeakPolarHBondContact O-CG 3.27Å; S285-R289 PolarHBondContact O-N 2.65Å; I286-R289 PolarHBondContact O-N 2.69Å; R289-K291 VanDerWaalsContact C-N 3.32Å; R289-K291 PolarHBondContact O-N 3.45Å; R289-I292 PolarHBondContact O-N 3.32Å; R289-Q293 WeakPolarHBondContact O-CB 3.46Å; R289-Q293 WeakPolarHBondContact O-CG 3.42Å; R289-Q293 PolarHBondContact O-N 3.24Å; R289-N554 PolarHBondContact NH1-OD1 3.45Å; R289-I557 HydrophobicContact CG-CG2 3.79Å
290	Q	94.3	Very high	91.3	Very high	85 Å²	85	59.7 Å²	59.7	40%	0.397	29%	0.29	S	S	.	.	H	α-helix	trans	-55.9	-42.9	174.9	-163.9	-177.5	63	0	0	112.7	S263 I286 K287 K294	S263-Q290 PolarHBondContact O-NE2 3.09Å; I286-Q290 WeakPolarHBondContact O-CB 3.47Å; I286-Q290 PolarHBondContact O-N 3.3Å; K287-Q290 PolarHBondContact O-N 3.49Å; Q290-K294 WeakPolarHBondContact O-CB 3.39Å; Q290-K294 PolarHBondContact O-N 2.97Å
291	K	95.6	Very high	92.3	Very high	104 Å²	104	52 Å²	52	45%	0.452	26%	0.255	S	S	.	.	H	α-helix	trans	-60.4	-47.7	176.6	-177.6	-172.4	172.9	-167.3	0	111.5	K287 N288 R289 K294 L295 T307	K287-K291 PolarHBondContact O-N 3.44Å; N288-K291 PolarHBondContact O-N 3.1Å; R289-K291 VanDerWaalsContact C-N 3.32Å; R289-K291 PolarHBondContact O-N 3.45Å; K291-K294 PolarHBondContact O-N 3.47Å; K291-L295 WeakPolarHBondContact O-CG 3.28Å; K291-L295 PolarHBondContact O-N 3.15Å; K291-T307 HydrophobicContact CD-CG2 3.9Å; K291-T307 HydrophobicContact CG-CG2 4.37Å
292	I	96.6	Very high	92.9	Very high	2 Å²	2	51 Å²	51	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-65.3	-47.7	179.9	-67.4	166.2	0	0	0	110.8	N288 R289 K294 L295 V296 T307 L311 Y312 L553 I557	N288-I292 PolarHBondContact O-N 3.28Å; R289-I292 PolarHBondContact O-N 3.32Å; I292-K294 VanDerWaalsContact C-N 3.31Å; I292-K294 PolarHBondContact O-N 3.49Å; I292-L295 WeakPolarHBondContact O-CB 3.31Å; I292-L295 PolarHBondContact O-N 3.18Å; I292-L295 VanDerWaalsContact O-N 3.08Å; I292-V296 PolarHBondContact O-N 2.84Å; I292-T307 HydrophobicContact CD1-CG2 4.45Å; I292-T307 HydrophobicContact CG1-CG2 3.71Å; I292-L311 HydrophobicContact CD1-CD1 4.31Å; I292-Y312 HydrophobicContact CD1-CD2 3.86Å; I292-Y312 HydrophobicContact CD1-CE2 3.64Å; I292-L553 HydrophobicContact CG2-CD2 3.55Å; I292-L553 HydrophobicContact CG2-CG 4.32Å; I292-I557 HydrophobicContact CD1-CD1 3.88Å; I292-I557 HydrophobicContact CG2-CD1 4.42Å
293	Q	95.9	Very high	93.4	Very high	21 Å²	21	46.4 Å²	46.4	10%	0.098	23%	0.23	C	C	.	.	H	α-helix	trans	-59.9	-41	179	-68.9	175.5	-56.7	0	0	111.5	S263 R289 L295 V296 L297 N554	S263-Q293 PolarHBondContact OG-OE1 3.21Å; R289-Q293 WeakPolarHBondContact O-CB 3.46Å; R289-Q293 WeakPolarHBondContact O-CG 3.42Å; R289-Q293 PolarHBondContact O-N 3.24Å; Q293-L295 VanDerWaalsContact C-N 3.33Å; Q293-L295 PolarHBondContact O-N 3.45Å; Q293-V296 PolarHBondContact O-N 3.49Å; Q293-L297 WeakPolarHBondContact O-CB 3.44Å; Q293-L297 VanDerWaalsContact O-CG 3.32Å; Q293-L297 WeakPolarHBondContact O-CG 3.37Å; Q293-L297 PolarHBondContact O-N 2.95Å; Q293-N554 VanDerWaalsContact NE2-CG 3.29Å
294	K	95.3	Very high	94.1	Very high	163 Å²	163	42.7 Å²	42.7	71%	0.709	21%	0.211	S	C	*	.	H	α-helix	trans	-61.3	-38.2	174.6	-172.5	172.9	-177.3	175	0	112.6	Q290 K291 I292 S298	Q290-K294 WeakPolarHBondContact O-CB 3.39Å; Q290-K294 PolarHBondContact O-N 2.97Å; K291-K294 PolarHBondContact O-N 3.47Å; I292-K294 VanDerWaalsContact C-N 3.31Å; I292-K294 PolarHBondContact O-N 3.49Å; K294-S298 VanDerWaalsContact O-CB 3.27Å; K294-S298 WeakPolarHBondContact O-CB 3.42Å; K294-S298 PolarHBondContact O-N 2.87Å; K294-S298 VanDerWaalsContact O-N 3.1Å; K294-S298 PolarHBondContact O-OG 2.92Å
295	L	96.6	Very high	94.6	Very high	17 Å²	17	40.8 Å²	40.8	9%	0.089	19%	0.194	C	C	.	.	H	α-helix	trans	-65.6	-49.5	175	-69.8	167.7	0	0	0	111.1	K291 I292 Q293 L297 S298 G299 R300 E303 A304 T307	K291-L295 WeakPolarHBondContact O-CG 3.28Å; K291-L295 PolarHBondContact O-N 3.15Å; I292-L295 WeakPolarHBondContact O-CB 3.31Å; I292-L295 PolarHBondContact O-N 3.18Å; I292-L295 VanDerWaalsContact O-N 3.08Å; Q293-L295 VanDerWaalsContact C-N 3.33Å; Q293-L295 PolarHBondContact O-N 3.45Å; L295-L297 PolarHBondContact O-N 3.06Å; L295-S298 PolarHBondContact O-N 3.29Å; L295-S298 PolarHBondContact O-OG 2.92Å; L295-G299 PolarHBondContact O-N 3.05Å; L295-R300 HydrophobicContact CB-CB 4.48Å; L295-R300 HydrophobicContact CD2-CB 4.05Å; L295-R300 PolarHBondContact O-N 3.45Å; L295-E303 HydrophobicContact CD1-CB 4.26Å; L295-E303 HydrophobicContact CD2-CB 4.16Å; L295-A304 HydrophobicContact CB-CB 3.78Å; L295-T307 HydrophobicContact CD1-CG2 4.4Å; L295-T307 WeakPolarHBondContact CD1-OG1 3.33Å
296	V	96.6	Very high	94.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-57.5	-52	177.3	176.4	0	0	0	0	111.8	I292 Q293 S298 G299 M301 A304 R546 C550 L553	I292-V296 PolarHBondContact O-N 2.84Å; Q293-V296 PolarHBondContact O-N 3.49Å; V296-S298 VanDerWaalsContact C-N 3.26Å; V296-S298 PolarHBondContact O-N 2.81Å; V296-G299 PolarHBondContact O-N 2.88Å; V296-M301 HydrophobicContact CB-SD 4.21Å; V296-M301 HydrophobicContact CG1-SD 3.8Å; V296-M301 HydrophobicContact CG2-CE 4.43Å; V296-M301 HydrophobicContact CG2-SD 4.19Å; V296-A304 HydrophobicContact CG2-CB 3.62Å; V296-R546 WeakPolarHBondContact O-CD 3.48Å; V296-C550 HydrophobicContact CB-CB 4.25Å; V296-C550 HydrophobicContact CG1-CB 3.62Å; V296-L553 HydrophobicContact CG2-CD2 4.11Å
297	L	94.8	Very high	95.3	Very high	79 Å²	79	45.5 Å²	45.5	41%	0.414	22%	0.215	S	C	.	.	H	α-helix	trans	-66.6	-26.6	-177.6	-65.4	173.2	0	0	0	112.8	Q293 L295 G299 R546 E547 C550	Q293-L297 WeakPolarHBondContact O-CB 3.44Å; Q293-L297 VanDerWaalsContact O-CG 3.32Å; Q293-L297 WeakPolarHBondContact O-CG 3.37Å; Q293-L297 PolarHBondContact O-N 2.95Å; L295-L297 PolarHBondContact O-N 3.06Å; L297-G299 VanDerWaalsContact C-N 3.29Å; L297-R546 HydrophobicContact CD2-CB 4.25Å; L297-R546 WeakPolarHBondContact O-CD 3.37Å; L297-R546 PolarHBondContact O-NH1 2.85Å; L297-E547 HydrophobicContact CD2-CG 3.91Å; L297-C550 HydrophobicContact CD2-CB 4.03Å; L297-C550 HydrophobicContact CG-CB 4.39Å
298	S	94.3	Very high	95.6	Very high	51 Å²	51	40.7 Å²	40.7	36%	0.357	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-2.8	171.7	71	0	0	0	0	114.8	K294 L295 V296 R300	K294-S298 VanDerWaalsContact O-CB 3.27Å; K294-S298 WeakPolarHBondContact O-CB 3.42Å; K294-S298 PolarHBondContact O-N 2.87Å; K294-S298 VanDerWaalsContact O-N 3.1Å; K294-S298 PolarHBondContact O-OG 2.92Å; L295-S298 PolarHBondContact O-N 3.29Å; L295-S298 PolarHBondContact O-OG 2.92Å; V296-S298 VanDerWaalsContact C-N 3.26Å; V296-S298 PolarHBondContact O-N 2.81Å; S298-R300 WeakPolarHBondContact OG-CD 3.43Å
299	G	94.6	Very high	95.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	8.2	-178.6	0	0	0	0	0	114.9	L295 V296 L297 M301 E333	L295-G299 PolarHBondContact O-N 3.05Å; V296-G299 PolarHBondContact O-N 2.88Å; L297-G299 VanDerWaalsContact C-N 3.29Å; G299-M301 VanDerWaalsContact C-N 3.26Å; G299-M301 PolarHBondContact O-N 3.06Å; G299-M301 VanDerWaalsContact O-N 3.09Å; G299-E333 WeakPolarHBondContact O-CB 3.48Å
300	R	94.9	Very high	95.8	Very high	96 Å²	96	48.5 Å²	48.5	36%	0.362	23%	0.229	S	C	.	.			trans	-87.5	64.2	179.7	-62.9	171	71.7	173.5	4.7	110	L295 S298 E303 A304	L295-R300 HydrophobicContact CB-CB 4.48Å; L295-R300 HydrophobicContact CD2-CB 4.05Å; L295-R300 PolarHBondContact O-N 3.45Å; S298-R300 WeakPolarHBondContact OG-CD 3.43Å; R300-E303 IonicContact CZ-OE1 2.96Å; R300-E303 IonicContact CZ-OE2 3.21Å; R300-E303 IonicContact NE-OE1 3.08Å; R300-E303 PolarHBondContact NE-OE1 3.27Å; R300-E303 IonicContact NE-OE2 2.75Å; R300-E303 IonicContact NH2-OE1 2.71Å; R300-E303 PolarHBondContact NH2-OE1 2.89Å; R300-E303 IonicContact NH2-OE2 2.87Å; R300-E303 PolarHBondContact NH2-OE2 3.37Å; R300-A304 WeakPolarHBondContact O-CB 3.48Å; R300-A304 PolarHBondContact O-N 3.19Å
301	M	95.1	Very high	95.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-69.6	-37.5	-169.7	-71.6	-60.5	-47.9	0	0	113.2	V296 G299 A304 I305 L326 R329 Q330 E333 D339 V549	V296-M301 HydrophobicContact CB-SD 4.21Å; V296-M301 HydrophobicContact CG1-SD 3.8Å; V296-M301 HydrophobicContact CG2-CE 4.43Å; V296-M301 HydrophobicContact CG2-SD 4.19Å; G299-M301 VanDerWaalsContact C-N 3.26Å; G299-M301 PolarHBondContact O-N 3.06Å; G299-M301 VanDerWaalsContact O-N 3.09Å; M301-A304 PolarHBondContact O-N 3.05Å; M301-I305 WeakPolarHBondContact O-CD1 3.46Å; M301-I305 WeakPolarHBondContact O-CG1 3.3Å; M301-I305 PolarHBondContact O-N 2.9Å; M301-L326 HydrophobicContact CE-CB 4.28Å; M301-L326 HydrophobicContact CE-CD2 3.64Å; M301-R329 HydrophobicContact CE-CB 4.07Å; M301-R329 HydrophobicContact CE-CG 4.18Å; M301-R329 HydrophobicContact CG-CB 4.46Å; M301-R329 HydrophobicContact CG-CG 3.99Å; M301-R329 HydrophobicContact SD-CB 4.35Å; M301-R329 HydrophobicContact SD-CG 3.81Å; M301-Q330 HydrophobicContact CB-CB 3.62Å; M301-Q330 HydrophobicContact CB-CG 3.83Å; M301-Q330 HydrophobicContact CG-CB 4.5Å; M301-E333 HydrophobicContact CG-CB 4.44Å; M301-E333 HydrophobicContact CG-CG 3.73Å; M301-D339 PolarHBondContact N-OD2 2.98Å; M301-V549 HydrophobicContact CE-CG1 4.23Å
302	G	94.4	Very high	95.8	Very high	5 Å²	5	43 Å²	43	5%	0.052	21%	0.206	C	C	.	.	H	α-helix	trans	-57.7	-52	174.8	0	0	0	0	0	111.7	A304 I305 E306 D339	G302-A304 VanDerWaalsContact C-N 3.31Å; G302-A304 PolarHBondContact O-N 3.28Å; G302-I305 WeakPolarHBondContact O-CB 3.49Å; G302-I305 PolarHBondContact O-N 2.91Å; G302-E306 PolarHBondContact O-N 3.41Å; G302-D339 PolarHBondContact N-OD2 3.03Å
303	E	95.9	Very high	95.7	Very high	49 Å²	49	47 Å²	47	23%	0.229	23%	0.232	C	C	.	.	H	α-helix	trans	-65.3	-31.8	177.3	-67.2	177.3	-106.7	0	0	113.2	L295 R300 T307 S340	L295-E303 HydrophobicContact CD1-CB 4.26Å; L295-E303 HydrophobicContact CD2-CB 4.16Å; R300-E303 IonicContact CZ-OE1 2.96Å; R300-E303 IonicContact CZ-OE2 3.21Å; R300-E303 IonicContact NE-OE1 3.08Å; R300-E303 PolarHBondContact NE-OE1 3.27Å; R300-E303 IonicContact NE-OE2 2.75Å; R300-E303 IonicContact NH2-OE1 2.71Å; R300-E303 PolarHBondContact NH2-OE1 2.89Å; R300-E303 IonicContact NH2-OE2 2.87Å; R300-E303 PolarHBondContact NH2-OE2 3.37Å; E303-T307 WeakPolarHBondContact O-CB 3.45Å; E303-T307 PolarHBondContact O-N 3.28Å; E303-T307 PolarHBondContact O-OG1 3.24Å; E303-S340 WeakPolarHBondContact OE1-CB 3.49Å; E303-S340 PolarHBondContact OE1-OG 3.43Å
304	A	97.2	Very high	95.5	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.008	25%	0.246	C	C	.	.	H	α-helix	trans	-65.2	-41.9	173.7	0	0	0	0	0	111.5	L295 V296 R300 M301 G302 T308	L295-A304 HydrophobicContact CB-CB 3.78Å; V296-A304 HydrophobicContact CG2-CB 3.62Å; R300-A304 WeakPolarHBondContact O-CB 3.48Å; R300-A304 PolarHBondContact O-N 3.19Å; M301-A304 PolarHBondContact O-N 3.05Å; G302-A304 VanDerWaalsContact C-N 3.31Å; G302-A304 PolarHBondContact O-N 3.28Å; A304-T308 VanDerWaalsContact O-CB 3.31Å; A304-T308 WeakPolarHBondContact O-CB 3.43Å; A304-T308 PolarHBondContact O-N 2.88Å; A304-T308 PolarHBondContact O-OG1 3.49Å
305	I	96.8	Very high	95.5	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-64.3	-50.3	175.7	-70.1	157.4	0	0	0	110.2	M301 G302 T307 T308 Q309 L316 L323 L326 K327	M301-I305 WeakPolarHBondContact O-CD1 3.46Å; M301-I305 WeakPolarHBondContact O-CG1 3.3Å; M301-I305 PolarHBondContact O-N 2.9Å; G302-I305 WeakPolarHBondContact O-CB 3.49Å; G302-I305 PolarHBondContact O-N 2.91Å; I305-T307 PolarHBondContact O-N 3.44Å; I305-T308 WeakPolarHBondContact O-CB 3.24Å; I305-T308 PolarHBondContact O-N 3.46Å; I305-T308 VanDerWaalsContact O-N 3.17Å; I305-Q309 WeakPolarHBondContact O-CG 3.46Å; I305-Q309 PolarHBondContact O-N 3.41Å; I305-L316 HydrophobicContact CG2-CD1 3.93Å; I305-L323 HydrophobicContact CG2-CD1 4.37Å; I305-L326 HydrophobicContact CD1-CB 3.99Å; I305-L326 HydrophobicContact CG1-CB 3.98Å; I305-L326 HydrophobicContact CG1-CD1 4.35Å; I305-K327 HydrophobicContact CD1-CD 3.9Å; I305-K327 HydrophobicContact CD1-CG 4.25Å
306	E	96.3	Very high	95.4	Very high	110 Å²	110	41.7 Å²	41.7	51%	0.514	21%	0.212	S	C	.	.	H	α-helix	trans	-60.1	-47.1	178	-70.5	179.5	-177.9	0	0	112.2	G302 T308 Q309 Q310	G302-E306 PolarHBondContact O-N 3.41Å; E306-T308 VanDerWaalsContact C-N 3.26Å; E306-T308 PolarHBondContact O-N 3.12Å; E306-Q309 PolarHBondContact O-N 3.06Å; E306-Q309 VanDerWaalsContact O-N 3.16Å; E306-Q310 VanDerWaalsContact O-CG 3.3Å; E306-Q310 WeakPolarHBondContact O-CG 3.35Å; E306-Q310 PolarHBondContact O-N 2.87Å
307	T	97.3	Very high	95.2	Very high	12 Å²	12	47.9 Å²	47.9	7%	0.074	24%	0.241	C	C	.	.	H	α-helix	trans	-61.4	-36.7	176.9	-60.8	0	0	0	0	111.2	K291 I292 L295 E303 I305 L311	K291-T307 HydrophobicContact CD-CG2 3.9Å; K291-T307 HydrophobicContact CG-CG2 4.37Å; I292-T307 HydrophobicContact CD1-CG2 4.45Å; I292-T307 HydrophobicContact CG1-CG2 3.71Å; L295-T307 HydrophobicContact CD1-CG2 4.4Å; L295-T307 WeakPolarHBondContact CD1-OG1 3.33Å; E303-T307 WeakPolarHBondContact O-CB 3.45Å; E303-T307 PolarHBondContact O-N 3.28Å; E303-T307 PolarHBondContact O-OG1 3.24Å; I305-T307 PolarHBondContact O-N 3.44Å; T307-L311 HydrophobicContact CG2-CD1 3.63Å; T307-L311 HydrophobicContact CG2-CG 4.3Å; T307-L311 WeakPolarHBondContact O-CB 3.23Å; T307-L311 WeakPolarHBondContact O-CG 3.4Å; T307-L311 PolarHBondContact O-N 3.46Å
308	T	97.2	Very high	95	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64.9	-45.2	174.5	-59.6	0	0	0	0	111.3	A304 I305 E306 Q310 L311 Y312 L315 L316 L553	A304-T308 VanDerWaalsContact O-CB 3.31Å; A304-T308 WeakPolarHBondContact O-CB 3.43Å; A304-T308 PolarHBondContact O-N 2.88Å; A304-T308 PolarHBondContact O-OG1 3.49Å; I305-T308 WeakPolarHBondContact O-CB 3.24Å; I305-T308 PolarHBondContact O-N 3.46Å; I305-T308 VanDerWaalsContact O-N 3.17Å; E306-T308 VanDerWaalsContact C-N 3.26Å; E306-T308 PolarHBondContact O-N 3.12Å; T308-Q310 VanDerWaalsContact C-N 3.33Å; T308-Q310 PolarHBondContact O-N 3.16Å; T308-L311 PolarHBondContact O-N 2.85Å; T308-Y312 CarbonylContact O-C 3.59Å; T308-Y312 WeakPolarHBondContact O-CA 3.42Å; T308-Y312 WeakPolarHBondContact O-CB 3.49Å; T308-Y312 PolarHBondContact O-N 2.97Å; T308-L315 HydrophobicContact CG2-CD2 3.8Å; T308-L316 HydrophobicContact CG2-CD1 4.1Å; T308-L316 HydrophobicContact CG2-CD2 4.19Å; T308-L316 HydrophobicContact CG2-CG 4.04Å; T308-L553 HydrophobicContact CG2-CD1 3.97Å
309	Q	96.1	Very high	95	Very high	85 Å²	85	53.9 Å²	53.9	40%	0.397	26%	0.255	S	S	.	.	H	α-helix	trans	-65.9	-34.9	179	-68.8	173.6	-62.6	0	0	112.6	I305 E306 P313 L316	I305-Q309 WeakPolarHBondContact O-CG 3.46Å; I305-Q309 PolarHBondContact O-N 3.41Å; E306-Q309 PolarHBondContact O-N 3.06Å; E306-Q309 VanDerWaalsContact O-N 3.16Å; Q309-P313 WeakPolarHBondContact O-CA 3.3Å; Q309-L316 HydrophobicContact CG-CD1 3.97Å
310	Q	96.4	Very high	94.9	Very high	135 Å²	135	56.4 Å²	56.4	63%	0.631	27%	0.271	S	S	*	.	H	α-helix	trans	-70.6	-43.5	176.8	-70.7	169.2	15.4	0	0	112.9	E306 T308	E306-Q310 VanDerWaalsContact O-CG 3.3Å; E306-Q310 WeakPolarHBondContact O-CG 3.35Å; E306-Q310 PolarHBondContact O-N 2.87Å; T308-Q310 VanDerWaalsContact C-N 3.33Å; T308-Q310 PolarHBondContact O-N 3.16Å
311	L	95.6	Very high	94.8	Very high	58 Å²	58	54.4 Å²	54.4	30%	0.304	27%	0.268	S	S	.	.	H	α-helix	trans	-86.7	-28.3	-175.9	-63.4	176.5	0	0	0	113.1	N288 I292 T307 T308	N288-L311 HydrophobicContact CB-CD1 3.91Å; I292-L311 HydrophobicContact CD1-CD1 4.31Å; T307-L311 HydrophobicContact CG2-CD1 3.63Å; T307-L311 HydrophobicContact CG2-CG 4.3Å; T307-L311 WeakPolarHBondContact O-CB 3.23Å; T307-L311 WeakPolarHBondContact O-CG 3.4Å; T307-L311 PolarHBondContact O-N 3.46Å; T308-L311 PolarHBondContact O-N 2.85Å
312	Y	94.8	Very high	94.8	Very high	16 Å²	16	54.7 Å²	54.7	6%	0.063	27%	0.269	C	S	.	.	S	Bend	trans	-133.2	67.1	-175.9	-56.1	-67.4	0	0	0	110.6	N288 I292 T308 L315 I557 H561	N288-Y312 HydrophobicContact CB-CE2 4.45Å; N288-Y312 WeakPolarHBondContact CB-OH 3.48Å; I292-Y312 HydrophobicContact CD1-CD2 3.86Å; I292-Y312 HydrophobicContact CD1-CE2 3.64Å; T308-Y312 CarbonylContact O-C 3.59Å; T308-Y312 WeakPolarHBondContact O-CA 3.42Å; T308-Y312 WeakPolarHBondContact O-CB 3.49Å; T308-Y312 PolarHBondContact O-N 2.97Å; Y312-L315 WeakPolarHBondContact O-CB 3.45Å; Y312-L315 PolarHBondContact O-N 3.41Å; Y312-I557 HydrophobicContact CD1-CG2 4.05Å; Y312-I557 HydrophobicContact CD2-CD1 4.09Å; Y312-I557 HydrophobicContact CD2-CG1 3.99Å; Y312-I557 HydrophobicContact CD2-CG2 3.85Å; Y312-I557 HydrophobicContact CE1-CG2 3.68Å; Y312-I557 HydrophobicContact CE2-CD1 4.06Å; Y312-I557 HydrophobicContact CE2-CG1 4.22Å; Y312-I557 HydrophobicContact CE2-CG2 3.47Å; Y312-I557 VanDerWaalsContact CE2-CG2 3.47Å; Y312-I557 HydrophobicContact CG-CG1 4.49Å; Y312-I557 HydrophobicContact CG-CG2 4.12Å; Y312-H561 AromaticContact CD1-CE1 3.6Å; Y312-H561 AromaticContact CE1-CE1 3.41Å; Y312-H561 VanDerWaalsContact CE1-CE1 3.41Å; Y312-H561 WeakPolarHBondContact CE1-CE1 3.41Å; Y312-H561 AromaticContact CE1-NE2 3.94Å
313	P	93.7	Very high	94.9	Very high	85 Å²	85	56.1 Å²	56.1	55%	0.552	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	149.2	-176.4	24.6	-35	0	0	0	112.1	Q309 L315	Q309-P313 WeakPolarHBondContact O-CA 3.3Å; P313-L315 PolarHBondContact O-N 3.35Å
314	N	92.3	Very high	94.9	Very high	74 Å²	74	53.8 Å²	53.8	40%	0.396	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	-9.5	-171.9	-37.6	-108.2	0	0	0	116	L316 E317 R318	N314-L316 PolarHBondContact O-N 3Å; N314-E317 PolarHBondContact O-N 2.91Å; N314-R318 HydrophobicContact CB-CG 4.45Å; N314-R318 WeakPolarHBondContact O-CB 3.48Å; N314-R318 VanDerWaalsContact O-CG 3.29Å; N314-R318 WeakPolarHBondContact O-CG 3.18Å; N314-R318 PolarHBondContact O-N 3.5Å
315	L	94.7	Very high	94.8	Very high	12 Å²	12	55.2 Å²	55.2	6%	0.063	27%	0.271	C	S	.	.	H	α-helix	trans	-58.4	-52.5	-176.4	170.9	60.4	0	0	0	112.4	T308 Y312 P313 E317 N319 A556 I557 T560	T308-L315 HydrophobicContact CG2-CD2 3.8Å; Y312-L315 WeakPolarHBondContact O-CB 3.45Å; Y312-L315 PolarHBondContact O-N 3.41Å; P313-L315 PolarHBondContact O-N 3.35Å; L315-E317 VanDerWaalsContact C-N 3.34Å; L315-N319 PolarHBondContact O-N 2.85Å; L315-A556 HydrophobicContact CD1-CB 4.23Å; L315-A556 WeakPolarHBondContact CD1-O 3.38Å; L315-I557 HydrophobicContact CD2-CB 4.45Å; L315-I557 HydrophobicContact CD2-CG1 3.52Å; L315-T560 HydrophobicContact CD1-CG2 3.72Å
316	L	94.8	Very high	94.8	Very high	3 Å²	3	55 Å²	55	2%	0.016	27%	0.27	C	S	.	.	H	α-helix	trans	-76.8	-21.5	-177.4	-59.6	-174	0	0	0	113	I305 T308 Q309 N314 N319 L322 L323 L326 L553	I305-L316 HydrophobicContact CG2-CD1 3.93Å; T308-L316 HydrophobicContact CG2-CD1 4.1Å; T308-L316 HydrophobicContact CG2-CD2 4.19Å; T308-L316 HydrophobicContact CG2-CG 4.04Å; Q309-L316 HydrophobicContact CG-CD1 3.97Å; N314-L316 PolarHBondContact O-N 3Å; L316-N319 CarbonylContact O-C 3.58Å; L316-L322 HydrophobicContact CD2-CD2 3.81Å; L316-L322 HydrophobicContact CD2-CG 3.91Å; L316-L323 HydrophobicContact CB-CB 4.26Å; L316-L323 HydrophobicContact CB-CD1 4.27Å; L316-L323 HydrophobicContact CD1-CD1 4.07Å; L316-L326 HydrophobicContact CD1-CD1 4.15Å; L316-L326 HydrophobicContact CD2-CD1 3.67Å; L316-L553 HydrophobicContact CD2-CD1 4.43Å
317	E	91.4	Very high	94.8	Very high	131 Å²	131	51.9 Å²	51.9	61%	0.612	26%	0.255	S	S	*	.	H	α-helix	trans	-74.5	-39.2	174.6	-65.5	164.8	-167.6	0	0	111.3	N314 L315 N319	N314-E317 PolarHBondContact O-N 2.91Å; L315-E317 VanDerWaalsContact C-N 3.34Å; E317-N319 VanDerWaalsContact C-N 3.27Å; E317-N319 PolarHBondContact O-N 2.92Å
318	R	92.4	Very high	94.8	Very high	197 Å²	197	51.3 Å²	51.3	74%	0.743	25%	0.252	S	S	*	.	H	α-helix	trans	-76.2	-13.2	175.8	-68.2	174.5	-176.4	-171.4	3	113.5	N314	N314-R318 HydrophobicContact CB-CG 4.45Å; N314-R318 WeakPolarHBondContact O-CB 3.48Å; N314-R318 VanDerWaalsContact O-CG 3.29Å; N314-R318 WeakPolarHBondContact O-CG 3.18Å; N314-R318 PolarHBondContact O-N 3.5Å
319	N	93.3	Very high	94.8	Very high	58 Å²	58	51.8 Å²	51.8	31%	0.31	25%	0.253	S	S	.	.			trans	-133.5	75.2	-178.1	-166.2	-18.4	0	0	0	110.6	L315 L316 E317 D321 L322 L323	L315-N319 PolarHBondContact O-N 2.85Å; L316-N319 CarbonylContact O-C 3.58Å; E317-N319 VanDerWaalsContact C-N 3.27Å; E317-N319 PolarHBondContact O-N 2.92Å; N319-D321 VanDerWaalsContact C-N 3.33Å; N319-D321 PolarHBondContact O-N 2.78Å; N319-L322 HydrophobicContact CB-CB 4.06Å; N319-L322 HydrophobicContact CB-CD2 4.4Å; N319-L322 VanDerWaalsContact CG-CB 3.42Å; N319-L322 WeakPolarHBondContact O-CB 3.14Å; N319-L322 PolarHBondContact O-N 2.91Å; N319-L322 WeakPolarHBondContact OD1-CB 3.49Å; N319-L322 PolarHBondContact OD1-N 3.08Å; N319-L323 PolarHBondContact O-N 2.71Å; N319-L323 VanDerWaalsContact O-N 3.1Å
320	P	92.6	Very high	94.8	Very high	53 Å²	53	47.7 Å²	47.7	34%	0.344	23%	0.234	S	C	.	.	H	α-helix	trans	-74.2	-22.2	-171.5	32.1	-37.8	0	0	0	113	L323 F324 L506	P320-L323 PolarHBondContact O-N 2.84Å; P320-F324 WeakPolarHBondContact O-CB 3.47Å; P320-F324 PolarHBondContact O-N 2.99Å; P320-L506 HydrophobicContact CB-CD2 3.92Å; P320-L506 HydrophobicContact CG-CD2 3.95Å
321	D	92.6	Very high	94.8	Very high	55 Å²	55	41.3 Å²	41.3	29%	0.294	20%	0.204	S	C	.	.	H	α-helix	trans	-65.7	-41.3	168.4	-80.5	-67.3	0	0	0	111.5	N319 F324 M325 N513 N516	N319-D321 VanDerWaalsContact C-N 3.33Å; N319-D321 PolarHBondContact O-N 2.78Å; D321-F324 PolarHBondContact O-N 3.01Å; D321-M325 WeakPolarHBondContact O-CB 3.29Å; D321-M325 PolarHBondContact O-N 2.7Å; D321-N513 PolarHBondContact OD1-ND2 2.9Å; D321-N513 VanDerWaalsContact OD1-ND2 3.09Å; D321-N516 PolarHBondContact OD1-ND2 2.98Å
322	L	94.9	Very high	94.8	Very high	6 Å²	6	39 Å²	39	3%	0.031	19%	0.192	C	C	.	.	H	α-helix	trans	-62.8	-45.7	172.6	170.2	61.8	0	0	0	111.3	L316 N319 F324 M325 L326 T552 L553 A556	L316-L322 HydrophobicContact CD2-CD2 3.81Å; L316-L322 HydrophobicContact CD2-CG 3.91Å; N319-L322 HydrophobicContact CB-CB 4.06Å; N319-L322 HydrophobicContact CB-CD2 4.4Å; N319-L322 VanDerWaalsContact CG-CB 3.42Å; N319-L322 WeakPolarHBondContact O-CB 3.14Å; N319-L322 PolarHBondContact O-N 2.91Å; N319-L322 WeakPolarHBondContact OD1-CB 3.49Å; N319-L322 PolarHBondContact OD1-N 3.08Å; L322-F324 VanDerWaalsContact C-N 3.32Å; L322-F324 PolarHBondContact O-N 2.76Å; L322-M325 HydrophobicContact CD1-CE 3.5Å; L322-M325 PolarHBondContact O-N 2.96Å; L322-L326 HydrophobicContact CD1-CD1 3.97Å; L322-L326 HydrophobicContact CD1-CG 4.09Å; L322-L326 HydrophobicContact CG-CD1 4.03Å; L322-L326 VanDerWaalsContact O-CG 3.25Å; L322-L326 WeakPolarHBondContact O-CG 3.41Å; L322-L326 PolarHBondContact O-N 2.98Å; L322-T552 HydrophobicContact CD1-CG2 4.44Å; L322-L553 HydrophobicContact CD1-CB 4.39Å; L322-L553 HydrophobicContact CD2-CD1 4.25Å; L322-A556 HydrophobicContact CD2-CB 3.47Å; L322-A556 VanDerWaalsContact CD2-CB 3.47Å
323	L	96.1	Very high	94.8	Very high	35 Å²	35	38.2 Å²	38.2	18%	0.183	19%	0.189	C	C	.	.	H	α-helix	trans	-59	-43.5	175.4	178.5	57.7	0	0	0	111.7	I305 L316 N319 P320 L326 K327	I305-L323 HydrophobicContact CG2-CD1 4.37Å; L316-L323 HydrophobicContact CB-CB 4.26Å; L316-L323 HydrophobicContact CB-CD1 4.27Å; L316-L323 HydrophobicContact CD1-CD1 4.07Å; N319-L323 PolarHBondContact O-N 2.71Å; N319-L323 VanDerWaalsContact O-N 3.1Å; P320-L323 PolarHBondContact O-N 2.84Å; L323-L326 PolarHBondContact O-N 3.19Å; L323-K327 HydrophobicContact CD1-CG 4.16Å; L323-K327 WeakPolarHBondContact O-CB 3.34Å; L323-K327 WeakPolarHBondContact O-CG 3.45Å; L323-K327 PolarHBondContact O-N 2.73Å
324	F	95.6	Very high	94.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.3	-46	176.2	-179.4	-100	0	0	0	112	P320 D321 L322 L326 K327 V328 L499 M502 L506 N516 L520	P320-F324 WeakPolarHBondContact O-CB 3.47Å; P320-F324 PolarHBondContact O-N 2.99Å; D321-F324 PolarHBondContact O-N 3.01Å; L322-F324 VanDerWaalsContact C-N 3.32Å; L322-F324 PolarHBondContact O-N 2.76Å; F324-L326 VanDerWaalsContact C-N 3.33Å; F324-L326 PolarHBondContact O-N 3.15Å; F324-K327 CarbonylContact O-C 3.38Å; F324-K327 PolarHBondContact O-N 2.66Å; F324-V328 HydrophobicContact CD1-CG2 4.07Å; F324-V328 HydrophobicContact CE1-CG2 3.62Å; F324-V328 HydrophobicContact CE2-CG2 4.21Å; F324-V328 HydrophobicContact CZ-CG2 3.71Å; F324-V328 WeakPolarHBondContact O-CG2 3.26Å; F324-V328 PolarHBondContact O-N 3Å; F324-L499 HydrophobicContact CD2-CD1 3.85Å; F324-L499 HydrophobicContact CE2-CD1 3.62Å; F324-L499 HydrophobicContact CE2-CG 4.14Å; F324-L499 HydrophobicContact CZ-CD1 4.43Å; F324-M502 HydrophobicContact CB-SD 4.18Å; F324-M502 HydrophobicContact CD2-CB 4.34Å; F324-M502 HydrophobicContact CD2-CG 3.97Å; F324-M502 HydrophobicContact CD2-SD 3.88Å; F324-L506 HydrophobicContact CB-CD1 3.55Å; F324-L506 HydrophobicContact CD1-CD1 4.46Å; F324-L506 HydrophobicContact CD2-CD1 4.03Å; F324-L506 HydrophobicContact CG-CD1 3.75Å; F324-N516 HydrophobicContact CD1-CB 3.97Å; F324-N516 HydrophobicContact CE1-CB 3.59Å; F324-N516 HydrophobicContact CZ-CB 4.49Å; F324-L520 HydrophobicContact CZ-CB 4.19Å; F324-L520 HydrophobicContact CZ-CD1 4.13Å; F324-L520 HydrophobicContact CZ-CD2 4.31Å; F324-L520 HydrophobicContact CZ-CG 4.46Å
325	M	95.9	Very high	94.7	Very high	30 Å²	30	30.7 Å²	30.7	15%	0.148	14%	0.144	C	C	.	.	H	α-helix	trans	-57.8	-44.2	175.4	-180	-170.4	74	0	0	111.9	D321 L322 V328 R329 M519 V549 T552	D321-M325 WeakPolarHBondContact O-CB 3.29Å; D321-M325 PolarHBondContact O-N 2.7Å; L322-M325 HydrophobicContact CD1-CE 3.5Å; L322-M325 PolarHBondContact O-N 2.96Å; M325-V328 PolarHBondContact O-N 3.16Å; M325-R329 PolarHBondContact O-N 2.97Å; M325-M519 HydrophobicContact CB-CE 4.41Å; M325-M519 HydrophobicContact CG-CE 3.82Å; M325-M519 HydrophobicContact CG-SD 4.43Å; M325-V549 HydrophobicContact CE-CB 4.47Å; M325-V549 HydrophobicContact CE-CG1 4.06Å; M325-V549 HydrophobicContact CG-CG2 4.41Å; M325-T552 HydrophobicContact CE-CG2 3.75Å; M325-T552 HydrophobicContact SD-CG2 4.28Å
326	L	97	Very high	94.5	Very high	1 Å²	1	32 Å²	32	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-63.3	-41.8	175.7	-68.5	166.8	0	0	0	111.8	M301 I305 L316 L322 L323 F324 R329 Q330 V549 L553	M301-L326 HydrophobicContact CE-CB 4.28Å; M301-L326 HydrophobicContact CE-CD2 3.64Å; I305-L326 HydrophobicContact CD1-CB 3.99Å; I305-L326 HydrophobicContact CG1-CB 3.98Å; I305-L326 HydrophobicContact CG1-CD1 4.35Å; L316-L326 HydrophobicContact CD1-CD1 4.15Å; L316-L326 HydrophobicContact CD2-CD1 3.67Å; L322-L326 HydrophobicContact CD1-CD1 3.97Å; L322-L326 HydrophobicContact CD1-CG 4.09Å; L322-L326 HydrophobicContact CG-CD1 4.03Å; L322-L326 VanDerWaalsContact O-CG 3.25Å; L322-L326 WeakPolarHBondContact O-CG 3.41Å; L322-L326 PolarHBondContact O-N 2.98Å; L323-L326 PolarHBondContact O-N 3.19Å; F324-L326 VanDerWaalsContact C-N 3.33Å; F324-L326 PolarHBondContact O-N 3.15Å; L326-R329 PolarHBondContact O-N 2.69Å; L326-Q330 PolarHBondContact O-N 3.03Å; L326-V549 HydrophobicContact CD2-CG1 3.64Å; L326-L553 HydrophobicContact CD1-CD1 4.27Å; L326-L553 HydrophobicContact CD1-CD2 4.42Å; L326-L553 HydrophobicContact CD2-CB 4.4Å; L326-L553 HydrophobicContact CD2-CD2 3.95Å
327	K	96.8	Very high	94.1	Very high	44 Å²	44	32.9 Å²	32.9	19%	0.191	16%	0.161	C	C	.	.	H	α-helix	trans	-71	-33.5	177.5	-72.8	-72.7	-177.9	-173.5	0	112.7	I305 L323 F324 Q330 F331 F495 L499 M502	I305-K327 HydrophobicContact CD1-CD 3.9Å; I305-K327 HydrophobicContact CD1-CG 4.25Å; L323-K327 HydrophobicContact CD1-CG 4.16Å; L323-K327 WeakPolarHBondContact O-CB 3.34Å; L323-K327 WeakPolarHBondContact O-CG 3.45Å; L323-K327 PolarHBondContact O-N 2.73Å; F324-K327 CarbonylContact O-C 3.38Å; F324-K327 PolarHBondContact O-N 2.66Å; K327-Q330 PolarHBondContact O-N 3.22Å; K327-F331 PolarHBondContact O-N 3.43Å; K327-F495 HydrophobicContact CB-CZ 4.25Å; K327-F495 HydrophobicContact CD-CE1 4.41Å; K327-F495 HydrophobicContact CD-CE2 3.94Å; K327-F495 HydrophobicContact CD-CZ 3.44Å; K327-F495 VanDerWaalsContact CD-CZ 3.44Å; K327-F495 HydrophobicContact CG-CZ 4.47Å; K327-F495 WeakPolarHBondContact O-CE1 3.41Å; K327-L499 HydrophobicContact CB-CD1 3.81Å; K327-M502 HydrophobicContact CG-CE 4.39Å
328	V	96.9	Very high	93.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.3	-44	168.1	177	0	0	0	0	110.6	F324 M325 F331 I332 L499 M519 A523	F324-V328 HydrophobicContact CD1-CG2 4.07Å; F324-V328 HydrophobicContact CE1-CG2 3.62Å; F324-V328 HydrophobicContact CE2-CG2 4.21Å; F324-V328 HydrophobicContact CZ-CG2 3.71Å; F324-V328 WeakPolarHBondContact O-CG2 3.26Å; F324-V328 PolarHBondContact O-N 3Å; M325-V328 PolarHBondContact O-N 3.16Å; V328-F331 PolarHBondContact O-N 3.01Å; V328-I332 HydrophobicContact CG1-CD1 4.2Å; V328-I332 WeakPolarHBondContact O-CG1 3.29Å; V328-I332 PolarHBondContact O-N 3.05Å; V328-I332 VanDerWaalsContact O-N 3.14Å; V328-L499 HydrophobicContact CG2-CD1 4.01Å; V328-L499 HydrophobicContact CG2-CD2 4.08Å; V328-L499 HydrophobicContact CG2-CG 4.42Å; V328-M519 HydrophobicContact CB-CE 4.14Å; V328-M519 HydrophobicContact CG1-CB 4.31Å; V328-M519 HydrophobicContact CG1-CE 4.06Å; V328-A523 HydrophobicContact CG1-CB 3.87Å
329	R	96.5	Very high	93.5	Very high	9 Å²	9	18.8 Å²	18.8	3%	0.034	11%	0.106	C	C	.	.	H	α-helix	trans	-64.4	-40.5	175.4	-172	71.8	-152.9	172.4	7.2	111.7	M301 M325 L326 F331 I332 E333 Q540 Q545 V549	M301-R329 HydrophobicContact CE-CB 4.07Å; M301-R329 HydrophobicContact CE-CG 4.18Å; M301-R329 HydrophobicContact CG-CB 4.46Å; M301-R329 HydrophobicContact CG-CG 3.99Å; M301-R329 HydrophobicContact SD-CB 4.35Å; M301-R329 HydrophobicContact SD-CG 3.81Å; M325-R329 PolarHBondContact O-N 2.97Å; L326-R329 PolarHBondContact O-N 2.69Å; R329-F331 VanDerWaalsContact C-N 3.32Å; R329-F331 PolarHBondContact O-N 3.3Å; R329-I332 PolarHBondContact O-N 3.41Å; R329-I332 VanDerWaalsContact O-N 3.1Å; R329-E333 HydrophobicContact CG-CG 4.48Å; R329-E333 IonicContact CZ-OE1 3.56Å; R329-E333 IonicContact NE-OE1 3.81Å; R329-E333 PolarHBondContact NE-OE1 3.45Å; R329-E333 IonicContact NH2-OE1 2.73Å; R329-E333 PolarHBondContact NH2-OE1 3.33Å; R329-E333 WeakPolarHBondContact O-CG 3.43Å; R329-E333 PolarHBondContact O-N 3.3Å; R329-Q540 PolarHBondContact NH1-O 2.97Å; R329-Q540 PolarHBondContact NH2-O 3.44Å; R329-Q540 VanDerWaalsContact NH2-O 3.11Å; R329-Q545 PolarHBondContact NH1-O 3.08Å; R329-V549 HydrophobicContact CB-CG1 4.24Å; R329-V549 HydrophobicContact CB-CG2 4.3Å; R329-V549 HydrophobicContact CG-CG1 4.44Å; R329-V549 HydrophobicContact CG-CG2 4.37Å
330	Q	96.5	Very high	92.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-56.6	-45.9	174.2	-169.9	-178	0.4	0	0	111.1	M301 L326 K327 I332 E333 M334 D339 E341 F495	M301-Q330 HydrophobicContact CB-CB 3.62Å; M301-Q330 HydrophobicContact CB-CG 3.83Å; M301-Q330 HydrophobicContact CG-CB 4.5Å; L326-Q330 PolarHBondContact O-N 3.03Å; K327-Q330 PolarHBondContact O-N 3.22Å; Q330-I332 VanDerWaalsContact C-N 3.31Å; Q330-I332 PolarHBondContact O-N 3.13Å; Q330-E333 CarbonylContact O-C 3.57Å; Q330-E333 PolarHBondContact O-N 2.96Å; Q330-E333 VanDerWaalsContact O-N 3.16Å; Q330-M334 HydrophobicContact CG-CG 4.44Å; Q330-M334 HydrophobicContact CG-SD 4.35Å; Q330-M334 VanDerWaalsContact O-CG 3.3Å; Q330-M334 WeakPolarHBondContact O-CG 3.15Å; Q330-M334 PolarHBondContact O-N 3.28Å; Q330-D339 WeakPolarHBondContact CG-OD1 3.4Å; Q330-D339 PolarHBondContact NE2-OD1 2.93Å; Q330-E341 PolarHBondContact NE2-OE1 3.25Å; Q330-F495 HydrophobicContact CB-CE1 4.48Å; Q330-F495 HydrophobicContact CB-CZ 3.82Å; Q330-F495 VanDerWaalsContact CD-CE2 3.45Å; Q330-F495 HydrophobicContact CG-CE2 4.14Å; Q330-F495 HydrophobicContact CG-CZ 3.9Å; Q330-F495 VanDerWaalsContact OE1-CZ 3.29Å
331	F	96.3	Very high	91.8	Very high	1 Å²	1	17.4 Å²	17.4	0%	0.004	10%	0.096	C	C	.	.	H	α-helix	trans	-58.2	-40.5	175.3	178.8	-90.5	0	0	0	112.9	K327 V328 R329 M334 V335 M492 F495 L499 A523 F524 L527	K327-F331 PolarHBondContact O-N 3.43Å; V328-F331 PolarHBondContact O-N 3.01Å; R329-F331 VanDerWaalsContact C-N 3.32Å; R329-F331 PolarHBondContact O-N 3.3Å; F331-M334 WeakPolarHBondContact O-CB 3.42Å; F331-M334 PolarHBondContact O-N 2.89Å; F331-V335 HydrophobicContact CD1-CG2 4.16Å; F331-V335 HydrophobicContact CE1-CG2 3.67Å; F331-V335 HydrophobicContact CZ-CG2 3.98Å; F331-V335 WeakPolarHBondContact O-CG2 3.35Å; F331-V335 PolarHBondContact O-N 2.9Å; F331-M492 HydrophobicContact CD2-CG 4.13Å; F331-M492 HydrophobicContact CE2-CG 3.64Å; F331-M492 HydrophobicContact CE2-SD 4.41Å; F331-M492 HydrophobicContact CZ-CG 4.2Å; F331-M492 HydrophobicContact CZ-SD 4.4Å; F331-F495 HydrophobicContact CB-CD1 4.06Å; F331-F495 HydrophobicContact CB-CE1 3.89Å; F331-F495 HydrophobicContact CD2-CD1 4.09Å; F331-L499 HydrophobicContact CB-CD2 3.96Å; F331-L499 HydrophobicContact CG-CD2 4.31Å; F331-A523 HydrophobicContact CD1-CB 4.2Å; F331-F524 HydrophobicContact CD1-CD1 4.28Å; F331-F524 HydrophobicContact CD1-CE1 4.42Å; F331-F524 HydrophobicContact CD2-CE1 4.42Å; F331-F524 AromaticContact CE1-CD1 3.73Å; F331-F524 HydrophobicContact CE1-CD1 3.73Å; F331-F524 HydrophobicContact CE1-CE1 4.17Å; F331-F524 HydrophobicContact CE2-CD1 4.37Å; F331-F524 HydrophobicContact CE2-CE1 4.15Å; F331-F524 AromaticContact CZ-CD1 3.77Å; F331-F524 HydrophobicContact CZ-CD1 3.77Å; F331-F524 HydrophobicContact CZ-CE1 4.02Å; F331-L527 HydrophobicContact CZ-CD1 4Å; F331-L527 HydrophobicContact CZ-CD2 4.06Å; F331-L527 HydrophobicContact CZ-CG 4.09Å
332	I	95.3	Very high	91	Very high	8 Å²	8	14.9 Å²	14.9	4%	0.041	8%	0.082	C	C	.	.	H	α-helix	trans	-65.6	-39.9	176.6	-64.6	165.5	0	0	0	111.3	V328 R329 Q330 M334 V335 N336 A523 L526 Q540 L541	V328-I332 HydrophobicContact CG1-CD1 4.2Å; V328-I332 WeakPolarHBondContact O-CG1 3.29Å; V328-I332 PolarHBondContact O-N 3.05Å; V328-I332 VanDerWaalsContact O-N 3.14Å; R329-I332 PolarHBondContact O-N 3.41Å; R329-I332 VanDerWaalsContact O-N 3.1Å; Q330-I332 VanDerWaalsContact C-N 3.31Å; Q330-I332 PolarHBondContact O-N 3.13Å; I332-M334 VanDerWaalsContact C-N 3.34Å; I332-V335 WeakPolarHBondContact O-CB 3.12Å; I332-V335 PolarHBondContact O-N 3.38Å; I332-N336 WeakPolarHBondContact O-CB 3.47Å; I332-N336 PolarHBondContact O-N 2.91Å; I332-A523 HydrophobicContact CD1-CB 4.06Å; I332-A523 HydrophobicContact CG1-CB 3.89Å; I332-L526 HydrophobicContact CG1-CD1 4.44Å; I332-L526 HydrophobicContact CG2-CD1 4.47Å; I332-Q540 HydrophobicContact CD1-CB 4.44Å; I332-Q540 HydrophobicContact CG2-CB 4.41Å; I332-L541 HydrophobicContact CG2-CD2 4.05Å
333	E	94.7	Very high	89.8	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-70.4	-28.6	173.6	-59.4	-63	160.6	0	0	112.4	G299 M301 R329 Q330 N336 G337 T338 D339 R546	G299-E333 WeakPolarHBondContact O-CB 3.48Å; M301-E333 HydrophobicContact CG-CB 4.44Å; M301-E333 HydrophobicContact CG-CG 3.73Å; R329-E333 HydrophobicContact CG-CG 4.48Å; R329-E333 IonicContact CZ-OE1 3.56Å; R329-E333 IonicContact NE-OE1 3.81Å; R329-E333 PolarHBondContact NE-OE1 3.45Å; R329-E333 IonicContact NH2-OE1 2.73Å; R329-E333 PolarHBondContact NH2-OE1 3.33Å; R329-E333 WeakPolarHBondContact O-CG 3.43Å; R329-E333 PolarHBondContact O-N 3.3Å; Q330-E333 CarbonylContact O-C 3.57Å; Q330-E333 PolarHBondContact O-N 2.96Å; Q330-E333 VanDerWaalsContact O-N 3.16Å; E333-N336 CarbonylContact O-C 3.51Å; E333-N336 PolarHBondContact O-N 2.91Å; E333-G337 PolarHBondContact O-N 2.96Å; E333-T338 WeakPolarHBondContact CA-OG1 3.34Å; E333-T338 WeakPolarHBondContact CB-OG1 2.95Å; E333-T338 PolarHBondContact O-N 3.34Å; E333-T338 PolarHBondContact O-OG1 3.15Å; E333-T338 WeakPolarHBondContact OE2-CB 3.49Å; E333-T338 PolarHBondContact OE2-OG1 3.16Å; E333-D339 HydrophobicContact CB-CB 3.88Å; E333-D339 PolarHBondContact O-N 3.49Å; E333-R546 WeakPolarHBondContact OE1-CG 3.45Å; E333-R546 IonicContact OE1-CZ 2.68Å; E333-R546 IonicContact OE1-NE 2.69Å; E333-R546 PolarHBondContact OE1-NE 2.95Å; E333-R546 IonicContact OE1-NH2 3.59Å; E333-R546 IonicContact OE2-CZ 3.39Å; E333-R546 IonicContact OE2-NE 3.68Å; E333-R546 PolarHBondContact OE2-NE 2.95Å; E333-R546 IonicContact OE2-NH2 3.57Å; E333-R546 PolarHBondContact OE2-NH2 2.84Å
334	M	93.1	Very high	88.1	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-67.7	-43.6	170.8	-68.5	172.8	87.7	0	0	111.6	Q330 F331 I332 N336 G337 D339 E341 V342 C482 R491 M492 F495	Q330-M334 HydrophobicContact CG-CG 4.44Å; Q330-M334 HydrophobicContact CG-SD 4.35Å; Q330-M334 VanDerWaalsContact O-CG 3.3Å; Q330-M334 WeakPolarHBondContact O-CG 3.15Å; Q330-M334 PolarHBondContact O-N 3.28Å; F331-M334 WeakPolarHBondContact O-CB 3.42Å; F331-M334 PolarHBondContact O-N 2.89Å; I332-M334 VanDerWaalsContact C-N 3.34Å; M334-N336 VanDerWaalsContact C-N 3.25Å; M334-N336 PolarHBondContact O-N 3.5Å; M334-G337 PolarHBondContact O-N 2.93Å; M334-G337 VanDerWaalsContact O-N 3.14Å; M334-D339 HydrophobicContact CG-CB 3.92Å; M334-E341 HydrophobicContact CE-CB 4.03Å; M334-V342 HydrophobicContact CB-CG1 3.94Å; M334-V342 HydrophobicContact CB-CG2 4.29Å; M334-V342 HydrophobicContact CE-CG1 3.89Å; M334-V342 HydrophobicContact CG-CG1 4.06Å; M334-V342 HydrophobicContact CG-CG2 4.4Å; M334-C482 PolarHBondContact O-SG 2.96Å; M334-R491 HydrophobicContact CE-CB 4.42Å; M334-M492 HydrophobicContact CB-CB 4.42Å; M334-M492 HydrophobicContact CB-CG 4.27Å; M334-M492 HydrophobicContact CE-CB 4.41Å; M334-F495 HydrophobicContact CE-CB 3.96Å; M334-F495 HydrophobicContact CE-CD2 4.18Å; M334-F495 HydrophobicContact CE-CG 4.18Å; M334-F495 HydrophobicContact SD-CB 4.01Å; M334-F495 HydrophobicContact SD-CD1 4.02Å; M334-F495 HydrophobicContact SD-CD2 3.7Å; M334-F495 HydrophobicContact SD-CE1 4.4Å; M334-F495 HydrophobicContact SD-CE2 4.08Å; M334-F495 HydrophobicContact SD-CG 3.65Å; M334-F495 HydrophobicContact SD-CZ 4.4Å
335	V	91.8	Very high	86.3	Confident	2 Å²	2	29.3 Å²	29.3	1%	0.012	16%	0.155	C	C	.	.	H	α-helix	trans	-56	-42.4	171.7	167.5	0	0	0	0	110.8	F331 I332 G337 L481 C482 M492 L526 L527 P532 L541	F331-V335 HydrophobicContact CD1-CG2 4.16Å; F331-V335 HydrophobicContact CE1-CG2 3.67Å; F331-V335 HydrophobicContact CZ-CG2 3.98Å; F331-V335 WeakPolarHBondContact O-CG2 3.35Å; F331-V335 PolarHBondContact O-N 2.9Å; I332-V335 WeakPolarHBondContact O-CB 3.12Å; I332-V335 PolarHBondContact O-N 3.38Å; V335-G337 VanDerWaalsContact C-N 3.31Å; V335-G337 PolarHBondContact O-N 3.06Å; V335-L481 HydrophobicContact CG1-CD2 4.17Å; V335-C482 PolarHBondContact O-N 2.84Å; V335-M492 HydrophobicContact CB-SD 4.35Å; V335-M492 HydrophobicContact CG2-CG 4.39Å; V335-M492 HydrophobicContact CG2-SD 3.5Å; V335-M492 VanDerWaalsContact CG2-SD 3.5Å; V335-L526 HydrophobicContact CG1-CB 4.21Å; V335-L526 HydrophobicContact CG1-CD1 4.22Å; V335-L527 HydrophobicContact CG2-CD2 4.25Å; V335-P532 HydrophobicContact CG1-CB 3.83Å; V335-P532 HydrophobicContact CG1-CG 3.76Å; V335-L541 HydrophobicContact CG1-CD2 4.04Å
336	N	89.8	Confident	84.1	Confident	40 Å²	40	29.3 Å²	29.3	21%	0.214	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-10.3	-180	-152	19	0	0	0	114.1	I332 E333 M334 T338 L541	I332-N336 WeakPolarHBondContact O-CB 3.47Å; I332-N336 PolarHBondContact O-N 2.91Å; E333-N336 CarbonylContact O-C 3.51Å; E333-N336 PolarHBondContact O-N 2.91Å; M334-N336 VanDerWaalsContact C-N 3.25Å; M334-N336 PolarHBondContact O-N 3.5Å; N336-T338 VanDerWaalsContact C-N 3.3Å; N336-T338 PolarHBondContact O-N 3.15Å; N336-L541 HydrophobicContact CB-CD2 3.84Å; N336-L541 PolarHBondContact ND2-O 3.33Å
337	G	87	Confident	81.7	Confident	20 Å²	20	33.3 Å²	33.3	21%	0.206	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	9.5	-177.5	0	0	0	0	0	115.3	E333 M334 V335	E333-G337 PolarHBondContact O-N 2.96Å; M334-G337 PolarHBondContact O-N 2.93Å; M334-G337 VanDerWaalsContact O-N 3.14Å; V335-G337 VanDerWaalsContact C-N 3.31Å; V335-G337 PolarHBondContact O-N 3.06Å
338	T	83.6	Confident	79	Confident	33 Å²	33	42.8 Å²	42.8	20%	0.202	24%	0.239	C	C	.	.			trans	-89.5	-31.3	-174.2	37.9	0	0	0	0	113.7	E333 N336	E333-T338 WeakPolarHBondContact CA-OG1 3.34Å; E333-T338 WeakPolarHBondContact CB-OG1 2.95Å; E333-T338 PolarHBondContact O-N 3.34Å; E333-T338 PolarHBondContact O-OG1 3.15Å; E333-T338 WeakPolarHBondContact OE2-CB 3.49Å; E333-T338 PolarHBondContact OE2-OG1 3.16Å; N336-T338 VanDerWaalsContact C-N 3.3Å; N336-T338 PolarHBondContact O-N 3.15Å
339	D	88.1	Confident	75.8	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.274	C	S	.	.	S	Bend	trans	-70.5	147.7	-179.1	-168.3	-114.5	0	0	0	112.8	M301 G302 Q330 E333 M334 E341 V342 R343	M301-D339 PolarHBondContact N-OD2 2.98Å; G302-D339 PolarHBondContact N-OD2 3.03Å; Q330-D339 WeakPolarHBondContact CG-OD1 3.4Å; Q330-D339 PolarHBondContact NE2-OD1 2.93Å; E333-D339 HydrophobicContact CB-CB 3.88Å; E333-D339 PolarHBondContact O-N 3.49Å; M334-D339 HydrophobicContact CG-CB 3.92Å; D339-E341 VanDerWaalsContact C-N 3.29Å; D339-E341 PolarHBondContact O-N 3.12Å; D339-E341 PolarHBondContact OD1-N 2.95Å; D339-V342 HydrophobicContact CB-CG2 4.4Å; D339-V342 WeakPolarHBondContact O-CG2 3.1Å; D339-V342 PolarHBondContact O-N 3.09Å; D339-R343 VanDerWaalsContact O-CB 3.24Å; D339-R343 WeakPolarHBondContact O-CB 3.32Å; D339-R343 PolarHBondContact O-N 3.44Å
340	S	76.1	Confident	73	Confident	29 Å²	29	52.7 Å²	52.7	20%	0.203	31%	0.307	C	S	.	.	H	α-helix	trans	-64.2	-29.6	-173.4	48.1	0	0	0	0	113.9	E303 V342	E303-S340 WeakPolarHBondContact OE1-CB 3.49Å; E303-S340 PolarHBondContact OE1-OG 3.43Å; S340-V342 PolarHBondContact O-N 3.14Å
341	E	74	Confident	70.3	Confident	53 Å²	53	63.1 Å²	63.1	25%	0.248	35%	0.352	C	S	.	.	H	α-helix	trans	-64.6	-25.7	177.5	-73.3	-160.3	-128.8	0	0	114	Q330 M334 D339 R491	Q330-E341 PolarHBondContact NE2-OE1 3.25Å; M334-E341 HydrophobicContact CE-CB 4.03Å; D339-E341 VanDerWaalsContact C-N 3.29Å; D339-E341 PolarHBondContact O-N 3.12Å; D339-E341 PolarHBondContact OD1-N 2.95Å; E341-R491 IonicContact OE2-CZ 3.66Å; E341-R491 IonicContact OE2-NE 2.69Å; E341-R491 IonicContact OE2-NH2 3.59Å; E341-R491 PolarHBondContact OE2-NH2 3.38Å
342	V	75.5	Confident	67.4	Low	1 Å²	1	68.3 Å²	68.3	1%	0.006	39%	0.389	C	S	.	.	H	α-helix	trans	-106.1	-34.5	178.7	-69.2	0	0	0	0	112.7	M334 D339 S340 C344 L345 G346 A488	M334-V342 HydrophobicContact CB-CG1 3.94Å; M334-V342 HydrophobicContact CB-CG2 4.29Å; M334-V342 HydrophobicContact CE-CG1 3.89Å; M334-V342 HydrophobicContact CG-CG1 4.06Å; M334-V342 HydrophobicContact CG-CG2 4.4Å; D339-V342 HydrophobicContact CB-CG2 4.4Å; D339-V342 WeakPolarHBondContact O-CG2 3.1Å; D339-V342 PolarHBondContact O-N 3.09Å; S340-V342 PolarHBondContact O-N 3.14Å; V342-C344 VanDerWaalsContact C-N 3.31Å; V342-C344 PolarHBondContact O-N 3.48Å; V342-L345 WeakPolarHBondContact O-CA 3.39Å; V342-L345 WeakPolarHBondContact O-CB 3.17Å; V342-L345 PolarHBondContact O-N 3.4Å; V342-G346 PolarHBondContact O-N 2.85Å; V342-A488 HydrophobicContact CB-CB 3.87Å; V342-A488 HydrophobicContact CG1-CB 3.94Å
343	R	68.7	Low	64.7	Low	160 Å²	160	76.9 Å²	76.9	60%	0.604	43%	0.429	S	S	*	.	H	α-helix	trans	-60	-38.5	-174.6	-176	174.7	179.8	160	1.6	112.8	D339 L345 G346	D339-R343 VanDerWaalsContact O-CB 3.24Å; D339-R343 WeakPolarHBondContact O-CB 3.32Å; D339-R343 PolarHBondContact O-N 3.44Å; R343-L345 PolarHBondContact O-N 3.19Å; R343-G346 PolarHBondContact O-N 3.36Å
344	C	60	Low	61.6	Low	113 Å²	113	84.8 Å²	84.8	76%	0.764	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-9.8	177	-62.9	0	0	0	0	113.9	V342	V342-C344 VanDerWaalsContact C-N 3.31Å; V342-C344 PolarHBondContact O-N 3.48Å
345	L	58.3	Low	58.7	Low	71 Å²	71	89.5 Å²	89.5	37%	0.372	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-6.4	176.2	-56.9	177	0	0	0	112.3	V342 R343 G347 S485 A487 A488 R491	V342-L345 WeakPolarHBondContact O-CA 3.39Å; V342-L345 WeakPolarHBondContact O-CB 3.17Å; V342-L345 PolarHBondContact O-N 3.4Å; R343-L345 PolarHBondContact O-N 3.19Å; L345-G347 PolarHBondContact O-N 3Å; L345-S485 VanDerWaalsContact O-CB 3.22Å; L345-S485 WeakPolarHBondContact O-CB 3.23Å; L345-S485 PolarHBondContact O-OG 3.43Å; L345-A487 HydrophobicContact CB-CB 4.47Å; L345-A487 HydrophobicContact CD1-CB 4.26Å; L345-A488 HydrophobicContact CB-CB 4.23Å; L345-R491 HydrophobicContact CD1-CG 3.76Å
346	G	49.5	Very low	55.7	Low	31 Å²	31	100.8 Å²	100.8	32%	0.32	55%	0.548	S	S	.	.	S	Bend	trans	-77.5	111.2	168.4	0	0	0	0	0	110.6	V342 R343 R348	V342-G346 PolarHBondContact O-N 2.85Å; R343-G346 PolarHBondContact O-N 3.36Å; G346-R348 VanDerWaalsContact C-N 3.28Å; G346-R348 PolarHBondContact O-N 3.45Å
347	G	46.7	Very low	53.2	Low	85 Å²	85	104.8 Å²	104.8	88%	0.876	58%	0.576	S	S	*	*	S	Bend	trans	-73.5	62.4	-171.9	0	0	0	0	0	115.9	L345	L345-G347 PolarHBondContact O-N 3Å
348	R	39.7	Very low	50.4	Low	242 Å²	242	107.4 Å²	107.4	91%	0.913	60%	0.604	S	S	*	*			trans	-156.7	88.1	164.1	-101.3	176.9	-166.8	-138.9	2	110.8	G346	G346-R348 VanDerWaalsContact C-N 3.28Å; G346-R348 PolarHBondContact O-N 3.45Å
349	S	30.9	Very low	47.9	Very low	105 Å²	105	111.5 Å²	111.5	73%	0.734	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-86.9	139.3	159.5	-172.6	0	0	0	0	109.3
350	P	38.2	Very low	45.3	Very low	113 Å²	113	117.6 Å²	117.6	73%	0.734	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-55	152.6	154.7	-19.8	33.1	0	0	0	109.9	S352	P350-S352 PolarHBondContact O-N 2.95Å
351	K	39.3	Very low	43.2	Very low	218 Å²	218	127.8 Å²	127.8	95%	0.948	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-72.3	122	-178.1	-65.9	175.5	-177.9	172.3	0	110.9
352	S	34.9	Very low	41.3	Very low	111 Å²	111	131.1 Å²	131.1	78%	0.776	73%	0.733	S	S	*	*			trans	-135.7	117.4	146.9	50.3	0	0	0	0	108.5	P350	P350-S352 PolarHBondContact O-N 2.95Å
353	Q	38.8	Very low	39.1	Very low	188 Å²	188	140.1 Å²	140.1	88%	0.879	77%	0.773	S	S	*	*			trans	-82.6	125.7	159.8	-72.7	174.1	-107	0	0	106.7
354	D	29.1	Very low	37.1	Very low	165 Å²	165	138.4 Å²	138.4	88%	0.882	79%	0.785	S	S	*	*				-159	158.5	127.5	-110	-32.9	0	0	0	111.1
355	S	32.3	Very low	35.6	Very low	99 Å²	99	138 Å²	138	69%	0.692	78%	0.784	S	S	*	*			trans	-120	127.3	-159.5	-57.6	0	0	0	0	113.6
356	Y	29.6	Very low	34.9	Very low	239 Å²	239	140.5 Å²	140.5	94%	0.937	80%	0.804	S	S	*	*			trans	-143.3	150.3	151	-95.1	-80.2	0	0	0	110.9
357	P	37.6	Very low	33.8	Very low	124 Å²	124	144.2 Å²	144.2	81%	0.805	83%	0.825	S	S	*	*			trans	-107.9	163.8	-166.2	39.9	-32	0	0	0	114
358	G	28.4	Very low	33	Very low	76 Å²	76	148.2 Å²	148.2	78%	0.784	82%	0.821	S	S	*	*			trans	139.8	96.3	155.1	0	0	0	0	0	116.1
359	S	29.5	Very low	32.4	Very low	118 Å²	118	146.2 Å²	146.2	83%	0.825	82%	0.819	S	S	*	*			trans	-121.2	136.4	152.1	-80.8	0	0	0	0	108.6
360	P	34.2	Very low	32.2	Very low	129 Å²	129	146.3 Å²	146.3	84%	0.838	83%	0.826	S	S	*	*			trans	-76.8	153	-172	31.1	-35.8	0	0	0	112.8
361	R	32.4	Very low	31.6	Very low	243 Å²	243	146 Å²	146	92%	0.917	83%	0.826	S	S	*	*			trans	-127.4	148.1	160.3	-75.3	-168.9	174.3	-143.1	-0.2	109.8
362	P	33.6	Very low	31	Very low	122 Å²	122	140.6 Å²	140.6	79%	0.792	82%	0.816	S	S	*	*			trans	-89	141.3	-165.7	33.4	-35.6	0	0	0	115.1
363	F	29.3	Very low	30.7	Very low	190 Å²	190	140.9 Å²	140.9	83%	0.833	82%	0.818	S	S	*	*			trans	27.1	124.4	149	-78.5	-87.5	0	0	0	122
364	S	27.1	Very low	30.2	Very low	124 Å²	124	139.8 Å²	139.8	87%	0.867	81%	0.813	S	S	*	*			trans	-152	158.5	131.6	-79.4	0	0	0	0	109.6
365	S	29.3	Very low	30.7	Very low	105 Å²	105	136 Å²	136	73%	0.734	80%	0.797	S	S	*	*			trans	-110.3	-164.9	-155.5	-43.2	0	0	0	0	113.7
366	P	42.9	Very low	30.6	Very low	123 Å²	123	140.5 Å²	140.5	80%	0.799	80%	0.801	S	S	*	*				-125.8	164.7	-119.4	36.2	-16.1	0	0	0	116.9
367	S	27.1	Very low	30.6	Very low	109 Å²	109	136 Å²	136	76%	0.762	79%	0.792	S	S	*	*			trans	-156.9	127.1	168.1	46.4	0	0	0	0	116.9
368	H	29	Very low	30.2	Very low	170 Å²	170	136.3 Å²	136.3	79%	0.787	79%	0.792	S	S	*	*			trans	32.3	122.3	148.7	-58.6	-65.4	0	0	0	125.5
369	K	26.1	Very low	30.2	Very low	199 Å²	199	135.5 Å²	135.5	87%	0.865	78%	0.784	S	S	*	*				44.4	125.1	129.3	-62.9	-177.2	175.6	-177.9	0	121.2
370	A	26.7	Very low	30.2	Very low	108 Å²	108	139 Å²	139	89%	0.893	79%	0.785	S	S	*	*				-163.1	157.1	118.7	0	0	0	0	0	113.9
371	S	26.4	Very low	29.9	Very low	105 Å²	105	139.1 Å²	139.1	73%	0.734	78%	0.778	S	S	*	*			trans	-76	166.2	-169	174.7	0	0	0	0	117.6
372	S	26	Very low	29.9	Very low	106 Å²	106	132 Å²	132	74%	0.741	77%	0.766	S	S	*	*			trans	70.9	147.3	151.2	28.2	0	0	0	0	118.7
373	S	29.8	Very low	29.7	Very low	117 Å²	117	133.4 Å²	133.4	82%	0.818	77%	0.766	S	S	*	*			cis	-151.4	161.7	13.4	41.1	0	0	0	0	114.4
374	Q	28.1	Very low	29.6	Very low	164 Å²	164	130.3 Å²	130.3	77%	0.766	77%	0.767	S	S	*	*			trans	-83.8	174.5	166.2	-96.2	-97.4	-35.6	0	0	109.9
375	P	40.2	Very low	29.7	Very low	85 Å²	85	130.7 Å²	130.7	55%	0.552	77%	0.768	S	S	*	*			cis	-153.7	173.5	36	45.2	-24.1	0	0	0	121.6
376	Y	28.8	Very low	29.9	Very low	194 Å²	194	134 Å²	134	76%	0.761	78%	0.777	S	S	*	*			trans	68.3	149.2	155.9	-53.8	-42.6	0	0	0	119.1
377	L	30.2	Very low	29.2	Very low	146 Å²	146	131.6 Å²	131.6	76%	0.764	78%	0.775	S	S	*	*			cis	-162	179.8	-17	-95.6	169.5	0	0	0	106
378	T	30.1	Very low	29.3	Very low	129 Å²	129	133 Å²	133	79%	0.791	78%	0.779	S	S	*	*			cis	-160.3	163.5	11.9	-18.6	0	0	0	0	110
379	G	27	Very low	29.3	Very low	60 Å²	60	132 Å²	132	62%	0.619	79%	0.785	S	S	*	*			trans	88.2	119	163.6	0	0	0	0	0	115.7
380	F	30	Very low	29.5	Very low	192 Å²	192	128 Å²	128	84%	0.842	78%	0.782	S	S	*	*				61.4	123.4	67.1	-78.3	-113.6	0	0	0	112.4
381	D	28.3	Very low	29.6	Very low	131 Å²	131	128.5 Å²	128.5	70%	0.701	78%	0.779	S	S	*	*			cis	-152.1	-179.4	10.7	-98.3	-45.3	0	0	0	109.2
382	S	32.6	Very low	29.8	Very low	94 Å²	94	132.5 Å²	132.5	66%	0.657	78%	0.783	S	S	*	*			cis	-176.8	151.9	-42	-89.2	0	0	0	0	109
383	N	28.9	Very low	29.9	Very low	151 Å²	151	132.1 Å²	132.1	81%	0.807	78%	0.781	S	S	*	*			trans	58.3	86.6	164.6	-71.9	1.1	0	0	0	121.9
384	C	27.4	Very low	29.9	Very low	124 Å²	124	136.1 Å²	136.1	84%	0.838	79%	0.786	S	S	*	*				15.8	136.6	102.9	-46.7	0	0	0	0	120.3
385	C	29.8	Very low	30	Very low	132 Å²	132	133.7 Å²	133.7	89%	0.892	79%	0.787	S	S	*	*			trans	-154.5	141.6	130.7	58.1	0	0	0	0	112.7
386	N	32.8	Very low	29.5	Very low	174 Å²	174	135.5 Å²	135.5	93%	0.93	80%	0.801	S	S	*	*			trans	-111.6	151.2	172.7	-126	-10	0	0	0	108.2
387	G	27.4	Very low	29.6	Very low	73 Å²	73	132 Å²	132	75%	0.753	81%	0.805	S	S	*	*			trans	-155.6	115.4	-179.6	0	0	0	0	0	114.3
388	V	30.3	Very low	30.1	Very low	139 Å²	139	130 Å²	130	84%	0.842	80%	0.801	S	S	*	*			trans	-129.9	127.9	175.2	173.2	0	0	0	0	109.3
389	T	29.4	Very low	30.2	Very low	149 Å²	149	132.5 Å²	132.5	91%	0.914	80%	0.804	S	S	*	*			trans	-145	165.7	163.2	48.3	0	0	0	0	111
390	S	29.8	Very low	30.3	Very low	116 Å²	116	133.9 Å²	133.9	81%	0.811	80%	0.804	S	S	*	*			trans	-144.7	143.2	-169.6	164.8	0	0	0	0	111.3
391	S	28.7	Very low	30.4	Very low	117 Å²	117	134.1 Å²	134.1	82%	0.818	81%	0.807	S	S	*	*			trans	-158.3	95.9	165.3	59.5	0	0	0	0	115.1
392	K	30.2	Very low	30.7	Very low	189 Å²	189	137.3 Å²	137.3	82%	0.822	82%	0.815	S	S	*	*			trans	26	113.3	135.2	-74.3	-177.6	176.2	179.7	0	121.3
393	S	27.8	Very low	31.4	Very low	99 Å²	99	138 Å²	138	69%	0.692	82%	0.817	S	S	*	*				42.3	132.6	120.1	67.2	0	0	0	0	122.8
394	H	30	Very low	31.3	Very low	201 Å²	201	136.4 Å²	136.4	93%	0.931	82%	0.816	S	S	*	*			trans	-145.4	162.3	137.7	-101.8	-75.3	0	0	0	111
395	S	30.3	Very low	32.1	Very low	112 Å²	112	136 Å²	136	78%	0.783	81%	0.812	S	S	*	*			trans	-146.7	129.5	-170.9	57.4	0	0	0	0	112.7
396	S	29.8	Very low	33.1	Very low	123 Å²	123	135.6 Å²	135.6	86%	0.86	81%	0.808	S	S	*	*			trans	-160.3	117.5	164.4	45.2	0	0	0	0	113.9
397	S	30.1	Very low	33	Very low	121 Å²	121	133 Å²	133	85%	0.846	80%	0.803	S	S	*	*			trans	-117.6	168	152.5	-75	0	0	0	0	106.2
398	P	42.2	Very low	33.2	Very low	103 Å²	103	135.4 Å²	135.4	67%	0.669	81%	0.808	S	S	*	*			cis	-135.1	-175.5	15.3	43.8	-27.7	0	0	0	114.7
399	H	30.8	Very low	33.1	Very low	183 Å²	183	132.4 Å²	132.4	85%	0.847	81%	0.805	S	S	*	*				-161.3	164.9	116.1	-104.8	-70	0	0	0	111.4
400	S	30.6	Very low	33.2	Very low	89 Å²	89	131.5 Å²	131.5	62%	0.622	81%	0.805	S	S	*	*			trans	-111.2	155.4	-167.6	55.2	0	0	0	0	113
401	H	32.3	Very low	33.1	Very low	196 Å²	196	130.4 Å²	130.4	91%	0.907	80%	0.804	S	S	*	*				-154.1	165.5	127.3	-102.9	-71.2	0	0	0	110.9
402	K	34.4	Very low	33.1	Very low	199 Å²	199	131.9 Å²	131.9	87%	0.865	80%	0.802	S	S	*	*			trans	-112.4	166	-167.2	-102.4	-168.1	173.4	-175.7	0	113.2
403	P	45.7	Very low	33	Very low	109 Å²	109	131.3 Å²	131.3	71%	0.708	80%	0.802	S	S	*	*			trans	-103.5	-156.6	-164.8	42.8	-38.8	0	0	0	113.9
404	C	28.5	Very low	33	Very low	116 Å²	116	130.3 Å²	130.3	78%	0.784	81%	0.807	S	S	*	*			trans	88.1	155.9	158.2	-81.8	0	0	0	0	118.9
405	P	43.1	Very low	33	Very low	116 Å²	116	126.3 Å²	126.3	75%	0.753	80%	0.802	S	S	*	*			cis	-137.9	-130.1	-24	44.4	-23.9	0	0	0	112.1
406	P	50.8	Low	32.8	Very low	123 Å²	123	128.4 Å²	128.4	80%	0.799	80%	0.804	S	S	*	*			trans	-118.5	-166.1	-157.3	30	-2	0	0	0	113.3
407	S	30.8	Very low	32.8	Very low	119 Å²	119	129.5 Å²	129.5	83%	0.832	81%	0.805	S	S	*	*			trans	-139.2	155.9	166.8	55.9	0	0	0	0	112.7
408	S	32.1	Very low	32.7	Very low	124 Å²	124	128.8 Å²	128.8	87%	0.867	80%	0.8	S	S	*	*			trans	-102.4	161.3	-165.6	-53.6	0	0	0	0	113
409	G	27.4	Very low	32.1	Very low	76 Å²	76	131.7 Å²	131.7	78%	0.784	81%	0.809	S	S	*	*			trans	-76.6	-176.8	-174.7	0	0	0	0	0	116.4
410	S	31	Very low	32	Very low	130 Å²	130	130.3 Å²	130.3	91%	0.909	81%	0.808	S	S	*	*			trans	-139.6	138	167.4	-65.6	0	0	0	0	109.3
411	A	28.9	Very low	31.8	Very low	94 Å²	94	130 Å²	130	78%	0.777	82%	0.819	S	S	*	*			trans	-104.3	153.2	162.5	0	0	0	0	0	108.2
412	L	28.3	Very low	31.6	Very low	148 Å²	148	126.1 Å²	126.1	78%	0.775	81%	0.813	S	S	*	*			trans	-167.8	136.8	147.4	-106.4	166.5	0	0	0	111.9
413	Q	29.1	Very low	31.3	Very low	177 Å²	177	127.9 Å²	127.9	83%	0.827	82%	0.815	S	S	*	*			trans	21.4	127.8	151.8	-72	161.5	-2.3	0	0	120.6
414	G	26.4	Very low	30.3	Very low	77 Å²	77	128.6 Å²	128.6	79%	0.794	82%	0.822	S	S	*	*			trans	-82.5	-170	158.9	0	0	0	0	0	112.8
415	S	30.2	Very low	30.3	Very low	118 Å²	118	131 Å²	131	83%	0.825	82%	0.822	S	S	*	*			trans	-149.9	137.8	172.4	42.3	0	0	0	0	110.6
416	D	26.2	Very low	29.5	Very low	156 Å²	156	133.8 Å²	133.8	83%	0.834	83%	0.825	S	S	*	*			trans	-73.9	143.4	175.6	-63.2	-82.6	0	0	0	112.2
417	V	29.9	Very low	28.8	Very low	146 Å²	146	133 Å²	133	89%	0.885	82%	0.82	S	S	*	*			trans	-135.4	100.4	150.3	-175.3	0	0	0	0	109
418	S	28.1	Very low	28.6	Very low	105 Å²	105	135.6 Å²	135.6	73%	0.734	82%	0.823	S	S	*	*			trans	-102.5	141.7	160.1	-70.1	0	0	0	0	109.2
419	L	29.1	Very low	28.4	Very low	165 Å²	165	135.5 Å²	135.5	86%	0.864	82%	0.817	S	S	*	*			trans	-165.1	150.2	147.5	-109.2	169.2	0	0	0	113
420	N	28.2	Very low	28.4	Very low	154 Å²	154	136.3 Å²	136.3	82%	0.824	81%	0.811	S	S	*	*			trans	-64.7	158.3	-167.7	-70.1	-47.1	0	0	0	117
421	G	26.5	Very low	28.1	Very low	82 Å²	82	137.1 Å²	137.1	85%	0.845	81%	0.805	S	S	*	*			trans	-153.3	81.6	171.3	0	0	0	0	0	114.5
422	S	28.7	Very low	28.2	Very low	114 Å²	114	140.2 Å²	140.2	80%	0.797	81%	0.808	S	S	*	*			trans	-56.8	127.6	-170.1	-53.1	0	0	0	0	119.5
423	R	27.7	Very low	28.3	Very low	236 Å²	236	139.9 Å²	139.9	89%	0.891	81%	0.812	S	S	*	*				42.1	116.7	123.7	-172.9	-167.6	-170.4	-174.9	4.8	121
424	S	26.2	Very low	28.1	Very low	124 Å²	124	138.6 Å²	138.6	87%	0.867	81%	0.811	S	S	*	*			trans	-167.9	177.5	137.3	47.6	0	0	0	0	111.7
425	Q	27.6	Very low	28.5	Very low	167 Å²	167	144 Å²	144	78%	0.78	82%	0.818	S	S	*	*			trans	-137.3	154.6	-160.9	-67.4	175.3	-69.7	0	0	115.1
426	Q	26.8	Very low	28.4	Very low	174 Å²	174	147.3 Å²	147.3	81%	0.813	82%	0.82	S	S	*	*			trans	67	171.8	149.6	-83.4	-171.1	-3.2	0	0	119
427	P	36.8	Very low	28.6	Very low	106 Å²	106	145.9 Å²	145.9	69%	0.688	82%	0.817	S	S	*	*			cis	-136.9	156.5	-41.2	36.3	-21.3	0	0	0	114
428	I	26.5	Very low	28.4	Very low	174 Å²	174	145.6 Å²	145.6	89%	0.892	81%	0.81	S	S	*	*			trans	-137	158.5	161.7	-63.3	-173.7	0	0	0	109.9
429	T	26.7	Very low	28.3	Very low	122 Å²	122	148.5 Å²	148.5	75%	0.748	81%	0.812	S	S	*	*			trans	-111.9	160.7	-156.4	52.7	0	0	0	0	115.7
430	S	26.6	Very low	28.1	Very low	93 Å²	93	149.7 Å²	149.7	65%	0.65	81%	0.81	S	S	*	*			trans	52.3	129.6	137.2	-172.5	0	0	0	0	120.7
431	N	26.1	Very low	28	Very low	148 Å²	148	148.4 Å²	148.4	79%	0.791	81%	0.809	S	S	*	*				-174.7	136.4	110.3	-87.5	-9.6	0	0	0	112.1
432	D	30.5	Very low	28.1	Very low	158 Å²	158	152.3 Å²	152.3	85%	0.845	81%	0.81	S	S	*	*			trans	-86.7	146.4	165.9	-58.1	-67.5	0	0	0	110.8
433	V	29.8	Very low	27.9	Very low	141 Å²	141	150.4 Å²	150.4	86%	0.855	81%	0.809	S	S	*	*			trans	-149.4	141.3	153.8	-164.7	0	0	0	0	108.7
434	D	26.3	Very low	27.8	Very low	150 Å²	150	145.5 Å²	145.5	80%	0.802	80%	0.804	S	S	*	*			trans	-62.7	166	175.8	-63.6	-80.8	0	0	0	114.7
435	M	34.1	Very low	27.8	Very low	190 Å²	190	145.9 Å²	145.9	94%	0.936	80%	0.802	S	S	*	*			trans	-134.1	146	145.5	-112.2	-166.4	-65.9	0	0	110.3
436	E	28.5	Very low	27.8	Very low	188 Å²	188	146.6 Å²	146.6	88%	0.879	81%	0.805	S	S	*	*			trans	-87.6	161.5	-156.6	-62.2	171.2	117.4	0	0	114
437	V	29.8	Very low	27.7	Very low	127 Å²	127	143.7 Å²	143.7	77%	0.77	80%	0.804	S	S	*	*			trans	-107.4	99	176.9	-180	0	0	0	0	109.5
438	D	25.2	Very low	27.1	Very low	139 Å²	139	143.7 Å²	143.7	74%	0.743	81%	0.807	S	S	*	*			trans	-88.1	123.6	173.3	-105.1	-34.1	0	0	0	111.8
439	H	27.2	Very low	27.1	Very low	166 Å²	166	140.3 Å²	140.3	77%	0.769	80%	0.799	S	S	*	*			trans	-108.4	114.9	169	-84.6	-31.2	0	0	0	110.1
440	F	25.3	Very low	27.1	Very low	190 Å²	190	141.7 Å²	141.7	83%	0.833	80%	0.801	S	S	*	*			trans	-126.1	152.1	162.6	-87.1	-81.7	0	0	0	111.8
441	T	25.4	Very low	27.1	Very low	128 Å²	128	140.1 Å²	140.1	79%	0.785	80%	0.8	S	S	*	*			trans	-111.7	158.6	-156.8	43.4	0	0	0	0	114.2
442	N	27.7	Very low	27.1	Very low	163 Å²	163	141.5 Å²	141.5	87%	0.872	80%	0.799	S	S	*	*			trans	10.3	114.9	163.3	-71.7	-1.2	0	0	0	119
443	G	25	Very low	27	Very low	75 Å²	75	141.6 Å²	141.6	77%	0.773	80%	0.799	S	S	*	*			trans	-130	95.7	157.7	0	0	0	0	0	111.2
444	V	26.6	Very low	26.8	Very low	132 Å²	132	143.2 Å²	143.2	80%	0.8	80%	0.803	S	S	*	*			trans	-95.2	122.1	170.2	178.7	0	0	0	0	108.5
445	T	25.2	Very low	26.7	Very low	133 Å²	133	139.1 Å²	139.1	82%	0.816	80%	0.796	S	S	*	*			trans	-137	106.5	173.5	54.3	0	0	0	0	110.8
446	E	26.7	Very low	26.2	Very low	181 Å²	181	136.6 Å²	136.6	85%	0.846	79%	0.792	S	S	*	*			trans	-79	134	164.3	-64.2	-173.3	139.3	0	0	110.3
447	S	25	Very low	26.1	Very low	114 Å²	114	133.7 Å²	133.7	80%	0.797	79%	0.792	S	S	*	*			trans	-167.2	102.9	154.9	-79.8	0	0	0	0	107.6
448	S	24.2	Very low	25.9	Very low	106 Å²	106	136.2 Å²	136.2	74%	0.741	79%	0.793	S	S	*	*				78.8	95.1	79.1	-65.3	0	0	0	0	113.6
449	S	27.7	Very low	25.9	Very low	103 Å²	103	138.4 Å²	138.4	72%	0.72	80%	0.798	S	S	*	*			trans	39.5	122.4	139.5	60.9	0	0	0	0	120.4
450	N	25.4	Very low	25.8	Very low	150 Å²	150	134.3 Å²	134.3	80%	0.802	79%	0.793	S	S	*	*				-158.3	140.9	116.3	-104	-31	0	0	0	111.9
451	G	27.7	Very low	25.8	Very low	61 Å²	61	131.2 Å²	131.2	63%	0.629	79%	0.79	S	S	*	*			trans	-132.3	124.4	174.6	0	0	0	0	0	110.7
452	F	25.3	Very low	25.8	Very low	177 Å²	177	132.7 Å²	132.7	78%	0.776	79%	0.788	S	S	*	*			trans	-139.3	130.2	168.2	-74.4	-87	0	0	0	106.3
453	L	28.6	Very low	26	Very low	159 Å²	159	129.8 Å²	129.8	83%	0.832	78%	0.778	S	S	*	*			cis	62.2	89.5	46.4	-62.4	-179.8	0	0	0	113.8
454	N	26	Very low	26.1	Very low	175 Å²	175	134.3 Å²	134.3	94%	0.936	78%	0.784	S	S	*	*			trans	-155.9	145.5	148.1	-128.7	-1.9	0	0	0	107.8
455	G	23.2	Very low	26.3	Very low	65 Å²	65	135.9 Å²	135.9	67%	0.67	79%	0.788	S	S	*	*			cis	145.3	110	-0.7	0	0	0	0	0	109.5
456	T	25.1	Very low	26.4	Very low	136 Å²	136	135.4 Å²	135.4	83%	0.834	79%	0.789	S	S	*	*			trans	-83.5	141.3	-174.7	40.3	0	0	0	0	112.6
457	S	25.1	Very low	26.4	Very low	128 Å²	128	134.7 Å²	134.7	90%	0.895	79%	0.791	S	S	*	*			trans	-88.8	148.6	166.9	-170.4	0	0	0	0	110.5
458	K	26.6	Very low	26.8	Very low	180 Å²	180	133.7 Å²	133.7	78%	0.783	79%	0.789	S	S	*	*			trans	-123.2	143.5	-170.8	-65.7	-174.8	178.3	-174.6	0	113.2
459	H	25.6	Very low	27.1	Very low	185 Å²	185	135.8 Å²	135.8	86%	0.856	79%	0.792	S	S	*	*			trans	-161.6	114.5	138.1	-103.1	-84.3	0	0	0	104.9
460	A	24.1	Very low	27.6	Very low	79 Å²	79	139.4 Å²	139.4	65%	0.653	80%	0.8	S	S	*	*				56.5	120.9	75.3	0	0	0	0	0	111.2
461	T	25.9	Very low	28	Very low	126 Å²	126	141.1 Å²	141.1	77%	0.773	80%	0.803	S	S	*	*			cis	-129.5	169.6	24.3	58.9	0	0	0	0	111.7
462	E	26	Very low	28.2	Very low	159 Å²	159	144.4 Å²	144.4	74%	0.743	81%	0.811	S	S	*	*			cis	-160.6	-175.1	-2.3	-126.4	15.3	52.9	0	0	108.4
463	P	32	Very low	28.6	Very low	101 Å²	101	145.1 Å²	145.1	66%	0.656	82%	0.816	S	S	*	*			trans	-102.2	162.2	-163	39.4	-36.5	0	0	0	117.6
464	D	26.4	Very low	28.5	Very low	171 Å²	171	142.7 Å²	142.7	91%	0.914	81%	0.813	S	S	*	*			trans	-137.6	134.8	153.2	-108.1	-38.8	0	0	0	107.4
465	D	31.1	Very low	29.1	Very low	165 Å²	165	138.3 Å²	138.3	88%	0.882	80%	0.801	S	S	*	*			trans	-87.6	134	-172.4	-80.8	-44.9	0	0	0	113.8
466	C	27.4	Very low	29.8	Very low	123 Å²	123	144.2 Å²	144.2	83%	0.831	81%	0.811	S	S	*	*			trans	-152.8	129.4	142.5	55.4	0	0	0	0	111.8
467	D	26.9	Very low	30.8	Very low	166 Å²	166	142.7 Å²	142.7	89%	0.888	81%	0.806	S	S	*	*			trans	-63.1	134.3	176.8	-102.7	-50.7	0	0	0	111.4
468	A	32.2	Very low	32.3	Very low	92 Å²	92	144.9 Å²	144.9	76%	0.76	80%	0.799	S	S	*	*			trans	-99.3	81.2	172.7	0	0	0	0	0	109.6	M470	A468-M470 PolarHBondContact O-N 3.36Å
469	D	30	Very low	34.3	Very low	150 Å²	150	143.4 Å²	143.4	80%	0.802	79%	0.789	S	S	*	*			trans	-51.4	123.3	170	-92.4	-44.6	0	0	0	110.2	E471	D469-E471 VanDerWaalsContact C-N 3.34Å; D469-E471 PolarHBondContact O-N 2.81Å
470	M	39.3	Very low	36.5	Very low	180 Å²	180	139.9 Å²	139.9	89%	0.887	77%	0.773	S	S	*	*			trans	-73.8	89.8	169.5	-69.5	-162.9	-151.1	0	0	109.4	A468 V472	A468-M470 PolarHBondContact O-N 3.36Å; M470-V472 VanDerWaalsContact C-N 3.28Å; M470-V472 PolarHBondContact O-N 3.07Å
471	E	33.4	Very low	39.2	Very low	186 Å²	186	137.8 Å²	137.8	87%	0.869	75%	0.75	S	S	*	*			trans	-63.2	91.9	163.7	-75.2	-159.3	143.1	0	0	109.6	D469 E473	D469-E471 VanDerWaalsContact C-N 3.34Å; D469-E471 PolarHBondContact O-N 2.81Å; E471-E473 PolarHBondContact O-N 3.32Å; E471-E473 VanDerWaalsContact O-N 3.16Å
472	V	32.4	Very low	41.7	Very low	130 Å²	130	132 Å²	132	79%	0.788	72%	0.715	S	S	*	*			trans	-59.5	114.9	164.5	176.6	0	0	0	0	107.3	M470 S474	M470-V472 VanDerWaalsContact C-N 3.28Å; M470-V472 PolarHBondContact O-N 3.07Å; V472-S474 PolarHBondContact O-N 2.84Å
473	E	32.8	Very low	43.9	Very low	191 Å²	191	127.2 Å²	127.2	89%	0.893	71%	0.708	S	S	*	*			trans	-55.4	105.7	-177.2	-77.1	-161.1	133.1	0	0	111.2	E471 A475	E471-E473 PolarHBondContact O-N 3.32Å; E471-E473 VanDerWaalsContact O-N 3.16Å; E473-A475 PolarHBondContact O-N 2.94Å
474	S	26.4	Very low	45.9	Very low	109 Å²	109	124.1 Å²	124.1	76%	0.762	70%	0.695	S	S	*	*			trans	-66.7	104.4	172.7	179.8	0	0	0	0	109.1	V472	V472-S474 PolarHBondContact O-N 2.84Å
475	A	39.3	Very low	48.5	Very low	82 Å²	82	117.1 Å²	117.1	68%	0.678	66%	0.659	S	S	*	*	S	Bend	trans	-51.8	153.6	172.1	0	0	0	0	0	111.6	E473	E473-A475 PolarHBondContact O-N 2.94Å
476	Q	38.4	Very low	51	Low	189 Å²	189	116 Å²	116	88%	0.883	65%	0.649	S	S	*	*			trans	84.5	22.8	179.4	-45.8	-176.8	14.1	0	0	117.9	K478	Q476-K478 PolarHBondContact O-N 3.18Å
477	S	45.6	Very low	53.8	Low	104 Å²	104	112.3 Å²	112.3	73%	0.727	63%	0.627	S	S	*	*			trans	-65.1	110.6	146.2	57.2	0	0	0	0	108.5	R479	S477-R479 PolarHBondContact O-N 3.01Å
478	K	55.7	Low	56.6	Low	175 Å²	175	104.4 Å²	104.4	76%	0.761	59%	0.585	S	S	*	*			trans	-63.8	124.3	178.5	-72.3	-175.9	177.9	179.5	0	109.1	Q476 Q480	Q476-K478 PolarHBondContact O-N 3.18Å; K478-Q480 HydrophobicContact CB-CG 4.37Å; K478-Q480 PolarHBondContact O-N 2.93Å
479	R	70.1	Confident	59.3	Low	149 Å²	149	102.4 Å²	102.4	56%	0.562	56%	0.561	S	S	*	*			trans	-70.7	95.2	176.1	-65.9	-175	179	-173.2	-0.6	109.2	S477	S477-R479 PolarHBondContact O-N 3.01Å
480	Q	72.1	Confident	62.1	Low	111 Å²	111	100.5 Å²	100.5	52%	0.519	55%	0.547	S	S	.	.			trans	-94.1	145	-175.5	-72.6	173.9	-0.7	0	0	111.8	K478 C482 G483	K478-Q480 HydrophobicContact CB-CG 4.37Å; K478-Q480 PolarHBondContact O-N 2.93Å; Q480-C482 PolarHBondContact O-N 2.8Å; Q480-G483 PolarHBondContact O-N 2.9Å
481	L	79.4	Confident	64.5	Low	34 Å²	34	98 Å²	98	18%	0.178	53%	0.528	C	S	.	.	G	3₁₀ helix	trans	-42	125.1	168.5	-79.2	158.9	0	0	0	111.5	V335 G483 G484 I489 L527 P532	V335-L481 HydrophobicContact CG1-CD2 4.17Å; L481-G483 PolarHBondContact O-N 3.09Å; L481-G483 VanDerWaalsContact O-N 3.1Å; L481-G484 PolarHBondContact O-N 2.82Å; L481-I489 HydrophobicContact CB-CD1 4.42Å; L481-I489 HydrophobicContact CB-CG1 4.48Å; L481-L527 HydrophobicContact CD2-CD2 4.12Å; L481-P532 HydrophobicContact CD2-CG 3.54Å; L481-P532 HydrophobicContact CG-CG 3.84Å
482	C	78.3	Confident	67.4	Low	4 Å²	4	89.2 Å²	89.2	3%	0.027	49%	0.487	C	S	.	.	G	3₁₀ helix	trans	52.3	29.8	179.2	-51.9	0	0	0	0	114.8	M334 V335 Q480 G484 A488 I489 M492	M334-C482 PolarHBondContact O-SG 2.96Å; V335-C482 PolarHBondContact O-N 2.84Å; Q480-C482 PolarHBondContact O-N 2.8Å; C482-G484 PolarHBondContact O-N 2.97Å; C482-A488 HydrophobicContact CB-CB 3.67Å; C482-I489 HydrophobicContact CB-CG1 3.97Å; C482-M492 PolarHBondContact SG-SD 2.83Å
483	G	73	Confident	70.2	Confident	59 Å²	59	86.7 Å²	86.7	61%	0.608	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	68.2	18.7	-176.2	0	0	0	0	0	114.5	Q480 L481 S485	Q480-G483 PolarHBondContact O-N 2.9Å; L481-G483 PolarHBondContact O-N 3.09Å; L481-G483 VanDerWaalsContact O-N 3.1Å; G483-S485 PolarHBondContact O-N 2.7Å
484	G	72.7	Confident	73.2	Confident	36 Å²	36	82.9 Å²	82.9	37%	0.371	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	82.2	1.4	175.6	0	0	0	0	0	115.9	L481 C482	L481-G484 PolarHBondContact O-N 2.82Å; C482-G484 PolarHBondContact O-N 2.97Å
485	S	81.7	Confident	76.4	Confident	24 Å²	24	78.1 Å²	78.1	17%	0.168	42%	0.415	C	S	.	.			trans	-82	121.9	178.1	177.3	0	0	0	0	112	L345 G483 A487 A488 I489	L345-S485 VanDerWaalsContact O-CB 3.22Å; L345-S485 WeakPolarHBondContact O-CB 3.23Å; L345-S485 PolarHBondContact O-OG 3.43Å; G483-S485 PolarHBondContact O-N 2.7Å; S485-A487 VanDerWaalsContact C-N 3.32Å; S485-A487 PolarHBondContact O-N 3.08Å; S485-A488 WeakPolarHBondContact O-CB 3.13Å; S485-A488 PolarHBondContact O-N 3.45Å; S485-A488 VanDerWaalsContact O-N 3.12Å; S485-I489 WeakPolarHBondContact O-CG1 3.45Å; S485-I489 PolarHBondContact O-N 3.38Å
486	Q	83.6	Confident	79.1	Confident	142 Å²	142	74.6 Å²	74.6	66%	0.664	39%	0.388	S	S	*	.	H	α-helix	trans	-57.9	-43	177.2	-178.1	-179	-26.7	0	0	112	A488 I489 E490	Q486-A488 VanDerWaalsContact C-N 3.28Å; Q486-A488 PolarHBondContact O-N 2.81Å; Q486-I489 PolarHBondContact O-N 2.85Å; Q486-E490 HydrophobicContact CG-CG 4.5Å; Q486-E490 WeakPolarHBondContact CG-OE1 3.3Å; Q486-E490 PolarHBondContact NE2-OE1 2.83Å; Q486-E490 WeakPolarHBondContact O-CG 3.47Å; Q486-E490 PolarHBondContact O-N 2.82Å
487	A	86.1	Confident	81.9	Confident	45 Å²	45	74.2 Å²	74.2	37%	0.372	38%	0.378	S	S	.	.	H	α-helix	trans	-63.8	-34	178.3	0	0	0	0	0	112.3	L345 S485 R491	L345-A487 HydrophobicContact CB-CB 4.47Å; L345-A487 HydrophobicContact CD1-CB 4.26Å; S485-A487 VanDerWaalsContact C-N 3.32Å; S485-A487 PolarHBondContact O-N 3.08Å; A487-R491 WeakPolarHBondContact O-CG 3.33Å; A487-R491 PolarHBondContact O-N 3.42Å
488	A	86.2	Confident	84.2	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-69.6	-40.6	174.2	0	0	0	0	0	112.1	V342 L345 C482 S485 Q486 R491 M492	V342-A488 HydrophobicContact CB-CB 3.87Å; V342-A488 HydrophobicContact CG1-CB 3.94Å; L345-A488 HydrophobicContact CB-CB 4.23Å; C482-A488 HydrophobicContact CB-CB 3.67Å; S485-A488 WeakPolarHBondContact O-CB 3.13Å; S485-A488 PolarHBondContact O-N 3.45Å; S485-A488 VanDerWaalsContact O-N 3.12Å; Q486-A488 VanDerWaalsContact C-N 3.28Å; Q486-A488 PolarHBondContact O-N 2.81Å; A488-R491 PolarHBondContact O-N 3.13Å; A488-M492 WeakPolarHBondContact O-CB 3.29Å; A488-M492 PolarHBondContact O-N 3.45Å
489	I	87.8	Confident	86.1	Confident	50 Å²	50	65.9 Å²	65.9	26%	0.256	33%	0.33	S	S	.	.	H	α-helix	trans	-63	-42.7	174.3	-66.1	167.7	0	0	0	110.6	L481 C482 S485 Q486 M492 I493	L481-I489 HydrophobicContact CB-CD1 4.42Å; L481-I489 HydrophobicContact CB-CG1 4.48Å; C482-I489 HydrophobicContact CB-CG1 3.97Å; S485-I489 WeakPolarHBondContact O-CG1 3.45Å; S485-I489 PolarHBondContact O-N 3.38Å; Q486-I489 PolarHBondContact O-N 2.85Å; I489-M492 HydrophobicContact CG2-CE 4.24Å; I489-M492 PolarHBondContact O-N 3.15Å; I489-I493 HydrophobicContact CG2-CD1 3.84Å; I489-I493 HydrophobicContact CG2-CG1 4.48Å; I489-I493 WeakPolarHBondContact O-CB 3.32Å; I489-I493 VanDerWaalsContact O-CG1 3.3Å; I489-I493 WeakPolarHBondContact O-CG1 3.3Å; I489-I493 PolarHBondContact O-N 2.83Å
490	E	89.9	Confident	87.3	Confident	110 Å²	110	62.1 Å²	62.1	51%	0.514	32%	0.319	S	S	.	.	H	α-helix	trans	-63.5	-42.8	176.4	-73.7	173.6	-164.7	0	0	112.1	Q486 I493 H494	Q486-E490 HydrophobicContact CG-CG 4.5Å; Q486-E490 WeakPolarHBondContact CG-OE1 3.3Å; Q486-E490 PolarHBondContact NE2-OE1 2.83Å; Q486-E490 WeakPolarHBondContact O-CG 3.47Å; Q486-E490 PolarHBondContact O-N 2.82Å; E490-I493 PolarHBondContact O-N 3.13Å; E490-H494 PolarHBondContact O-N 2.66Å
491	R	90.4	Very high	88.4	Confident	127 Å²	127	60.3 Å²	60.3	48%	0.479	32%	0.319	S	S	.	.	H	α-helix	trans	-60.8	-47.6	172.2	-75.4	-70.3	-68.1	-141	2.1	112.3	M334 E341 L345 A487 A488 I493 H494 F495	M334-R491 HydrophobicContact CE-CB 4.42Å; E341-R491 IonicContact OE2-CZ 3.66Å; E341-R491 IonicContact OE2-NE 2.69Å; E341-R491 IonicContact OE2-NH2 3.59Å; E341-R491 PolarHBondContact OE2-NH2 3.38Å; L345-R491 HydrophobicContact CD1-CG 3.76Å; A487-R491 WeakPolarHBondContact O-CG 3.33Å; A487-R491 PolarHBondContact O-N 3.42Å; A488-R491 PolarHBondContact O-N 3.13Å; R491-I493 VanDerWaalsContact C-N 3.33Å; R491-I493 PolarHBondContact O-N 2.81Å; R491-H494 WeakPolarHBondContact O-CB 3.46Å; R491-H494 PolarHBondContact O-N 2.8Å; R491-F495 WeakPolarHBondContact O-CB 3.27Å; R491-F495 PolarHBondContact O-N 3.23Å
492	M	93	Very high	89	Confident	3 Å²	3	61.5 Å²	61.5	2%	0.015	32%	0.324	C	S	.	.	H	α-helix	trans	-59.3	-41.8	176.5	177	-156.6	64	0	0	111.7	F331 M334 V335 C482 A488 I489 F495 G496 L527	F331-M492 HydrophobicContact CD2-CG 4.13Å; F331-M492 HydrophobicContact CE2-CG 3.64Å; F331-M492 HydrophobicContact CE2-SD 4.41Å; F331-M492 HydrophobicContact CZ-CG 4.2Å; F331-M492 HydrophobicContact CZ-SD 4.4Å; M334-M492 HydrophobicContact CB-CB 4.42Å; M334-M492 HydrophobicContact CB-CG 4.27Å; M334-M492 HydrophobicContact CE-CB 4.41Å; V335-M492 HydrophobicContact CB-SD 4.35Å; V335-M492 HydrophobicContact CG2-CG 4.39Å; V335-M492 HydrophobicContact CG2-SD 3.5Å; V335-M492 VanDerWaalsContact CG2-SD 3.5Å; C482-M492 PolarHBondContact SG-SD 2.83Å; A488-M492 WeakPolarHBondContact O-CB 3.29Å; A488-M492 PolarHBondContact O-N 3.45Å; I489-M492 HydrophobicContact CG2-CE 4.24Å; I489-M492 PolarHBondContact O-N 3.15Å; M492-F495 PolarHBondContact O-N 3.17Å; M492-G496 PolarHBondContact O-N 2.92Å; M492-L527 HydrophobicContact CE-CD2 3.47Å; M492-L527 VanDerWaalsContact CE-CD2 3.47Å; M492-L527 HydrophobicContact SD-CD2 3.77Å
493	I	92.7	Very high	89.7	Confident	76 Å²	76	62.2 Å²	62.2	39%	0.39	33%	0.329	S	S	.	.	H	α-helix	trans	-67.3	-36.9	177.1	-71.2	170.7	0	0	0	111.4	I489 E490 R491 G496 R497	I489-I493 HydrophobicContact CG2-CD1 3.84Å; I489-I493 HydrophobicContact CG2-CG1 4.48Å; I489-I493 WeakPolarHBondContact O-CB 3.32Å; I489-I493 VanDerWaalsContact O-CG1 3.3Å; I489-I493 WeakPolarHBondContact O-CG1 3.3Å; I489-I493 PolarHBondContact O-N 2.83Å; E490-I493 PolarHBondContact O-N 3.13Å; R491-I493 VanDerWaalsContact C-N 3.33Å; R491-I493 PolarHBondContact O-N 2.81Å; I493-G496 PolarHBondContact O-N 3.33Å; I493-R497 WeakPolarHBondContact O-CG 3.35Å; I493-R497 PolarHBondContact O-N 3.32Å
494	H	93.9	Very high	90.7	Very high	111 Å²	111	62.9 Å²	62.9	51%	0.514	32%	0.316	S	S	.	.	H	α-helix	trans	-62.5	-51.2	173.6	-163	-81.9	0	0	0	111.2	E490 R491 G496 R497 E498	E490-H494 PolarHBondContact O-N 2.66Å; R491-H494 WeakPolarHBondContact O-CB 3.46Å; R491-H494 PolarHBondContact O-N 2.8Å; H494-G496 VanDerWaalsContact C-N 3.3Å; H494-G496 PolarHBondContact O-N 2.97Å; H494-R497 WeakPolarHBondContact O-CB 3.38Å; H494-R497 PolarHBondContact O-N 3.11Å; H494-E498 IonicContact CE1-OE1 3.46Å; H494-E498 PolarHBondContact CE1-OE1 2.89Å; H494-E498 IonicContact ND1-OE1 3.64Å; H494-E498 PolarHBondContact ND1-OE1 3.02Å; H494-E498 PolarHBondContact O-N 2.85Å
495	F	95.7	Very high	91.6	Very high	9 Å²	9	65 Å²	65	4%	0.039	32%	0.317	C	S	.	.	H	α-helix	trans	-57.3	-40.7	176.9	-170.3	-75.5	0	0	0	112.2	K327 Q330 F331 M334 R491 M492 R497 E498 L499	K327-F495 HydrophobicContact CB-CZ 4.25Å; K327-F495 HydrophobicContact CD-CE1 4.41Å; K327-F495 HydrophobicContact CD-CE2 3.94Å; K327-F495 HydrophobicContact CD-CZ 3.44Å; K327-F495 VanDerWaalsContact CD-CZ 3.44Å; K327-F495 HydrophobicContact CG-CZ 4.47Å; K327-F495 WeakPolarHBondContact O-CE1 3.41Å; Q330-F495 HydrophobicContact CB-CE1 4.48Å; Q330-F495 HydrophobicContact CB-CZ 3.82Å; Q330-F495 VanDerWaalsContact CD-CE2 3.45Å; Q330-F495 HydrophobicContact CG-CE2 4.14Å; Q330-F495 HydrophobicContact CG-CZ 3.9Å; Q330-F495 VanDerWaalsContact OE1-CZ 3.29Å; F331-F495 HydrophobicContact CB-CD1 4.06Å; F331-F495 HydrophobicContact CB-CE1 3.89Å; F331-F495 HydrophobicContact CD2-CD1 4.09Å; M334-F495 HydrophobicContact CE-CB 3.96Å; M334-F495 HydrophobicContact CE-CD2 4.18Å; M334-F495 HydrophobicContact CE-CG 4.18Å; M334-F495 HydrophobicContact SD-CB 4.01Å; M334-F495 HydrophobicContact SD-CD1 4.02Å; M334-F495 HydrophobicContact SD-CD2 3.7Å; M334-F495 HydrophobicContact SD-CE1 4.4Å; M334-F495 HydrophobicContact SD-CE2 4.08Å; M334-F495 HydrophobicContact SD-CG 3.65Å; M334-F495 HydrophobicContact SD-CZ 4.4Å; R491-F495 WeakPolarHBondContact O-CB 3.27Å; R491-F495 PolarHBondContact O-N 3.23Å; M492-F495 PolarHBondContact O-N 3.17Å; F495-R497 VanDerWaalsContact C-N 3.26Å; F495-R497 PolarHBondContact O-N 2.82Å; F495-E498 WeakPolarHBondContact O-CB 3.44Å; F495-E498 PolarHBondContact O-N 2.97Å; F495-L499 WeakPolarHBondContact O-CB 3.23Å; F495-L499 PolarHBondContact O-N 3.5Å
496	G	95.7	Very high	92	Very high	9 Å²	9	64.5 Å²	64.5	9%	0.093	31%	0.312	C	S	.	.	H	α-helix	trans	-59.5	-33.9	174.8	0	0	0	0	0	113.4	M492 I493 H494 Q500 F524	M492-G496 PolarHBondContact O-N 2.92Å; I493-G496 PolarHBondContact O-N 3.33Å; H494-G496 VanDerWaalsContact C-N 3.3Å; H494-G496 PolarHBondContact O-N 2.97Å; G496-Q500 WeakPolarHBondContact O-CB 3.45Å; G496-Q500 PolarHBondContact O-N 3.15Å; G496-F524 WeakPolarHBondContact O-CZ 3.24Å
497	R	95.6	Very high	92.4	Very high	181 Å²	181	64.3 Å²	64.3	68%	0.683	31%	0.305	S	S	*	.	H	α-helix	trans	-72.2	-40	175	-64.5	170.1	-176	-166.6	1.5	112	I493 H494 F495 Q500 S501	I493-R497 WeakPolarHBondContact O-CG 3.35Å; I493-R497 PolarHBondContact O-N 3.32Å; H494-R497 WeakPolarHBondContact O-CB 3.38Å; H494-R497 PolarHBondContact O-N 3.11Å; F495-R497 VanDerWaalsContact C-N 3.26Å; F495-R497 PolarHBondContact O-N 2.82Å; R497-Q500 PolarHBondContact O-N 3.02Å; R497-S501 PolarHBondContact O-N 3Å
498	E	95.5	Very high	92.6	Very high	101 Å²	101	70.4 Å²	70.4	47%	0.472	32%	0.319	S	S	.	.	H	α-helix	trans	-61.6	-44.8	173.4	-66.2	171	-163.3	0	0	111.1	H494 F495 Q500 S501 M502	H494-E498 IonicContact CE1-OE1 3.46Å; H494-E498 PolarHBondContact CE1-OE1 2.89Å; H494-E498 IonicContact ND1-OE1 3.64Å; H494-E498 PolarHBondContact ND1-OE1 3.02Å; H494-E498 PolarHBondContact O-N 2.85Å; F495-E498 WeakPolarHBondContact O-CB 3.44Å; F495-E498 PolarHBondContact O-N 2.97Å; E498-Q500 PolarHBondContact O-N 3.17Å; E498-S501 WeakPolarHBondContact O-CB 3.33Å; E498-S501 PolarHBondContact O-N 3.38Å; E498-M502 PolarHBondContact O-N 3.38Å
499	L	94.9	Very high	92.7	Very high	3 Å²	3	77.2 Å²	77.2	2%	0.016	35%	0.35	C	S	.	.	H	α-helix	trans	-64.1	-39.9	178.1	-172.8	65.2	0	0	0	112.4	F324 K327 V328 F331 F495 M502 S503 L520 F524	F324-L499 HydrophobicContact CD2-CD1 3.85Å; F324-L499 HydrophobicContact CE2-CD1 3.62Å; F324-L499 HydrophobicContact CE2-CG 4.14Å; F324-L499 HydrophobicContact CZ-CD1 4.43Å; K327-L499 HydrophobicContact CB-CD1 3.81Å; V328-L499 HydrophobicContact CG2-CD1 4.01Å; V328-L499 HydrophobicContact CG2-CD2 4.08Å; V328-L499 HydrophobicContact CG2-CG 4.42Å; F331-L499 HydrophobicContact CB-CD2 3.96Å; F331-L499 HydrophobicContact CG-CD2 4.31Å; F495-L499 WeakPolarHBondContact O-CB 3.23Å; F495-L499 PolarHBondContact O-N 3.5Å; L499-M502 PolarHBondContact O-N 3.36Å; L499-S503 PolarHBondContact O-N 2.88Å; L499-L520 HydrophobicContact CD2-CD1 3.61Å; L499-L520 HydrophobicContact CG-CD1 3.65Å; L499-F524 HydrophobicContact CD2-CE1 4.11Å; L499-F524 HydrophobicContact CD2-CZ 4.4Å
500	Q	94.4	Very high	92.6	Very high	70 Å²	70	78.7 Å²	78.7	33%	0.327	36%	0.364	S	S	.	.	H	α-helix	trans	-60.3	-47.2	170.7	178	64.2	27.1	0	0	111.1	G496 R497 E498 M502 S503 E504 F524	G496-Q500 WeakPolarHBondContact O-CB 3.45Å; G496-Q500 PolarHBondContact O-N 3.15Å; R497-Q500 PolarHBondContact O-N 3.02Å; E498-Q500 PolarHBondContact O-N 3.17Å; Q500-M502 VanDerWaalsContact C-N 3.34Å; Q500-M502 PolarHBondContact O-N 3.13Å; Q500-S503 WeakPolarHBondContact O-CB 3.4Å; Q500-S503 PolarHBondContact O-N 2.99Å; Q500-E504 PolarHBondContact NE2-OE1 3.19Å; Q500-E504 WeakPolarHBondContact O-CG 3.23Å; Q500-E504 PolarHBondContact O-N 3.17Å; Q500-F524 HydrophobicContact CB-CE2 4.36Å; Q500-F524 HydrophobicContact CB-CZ 4.46Å
501	S	95	Very high	92.5	Very high	73 Å²	73	74.9 Å²	74.9	51%	0.51	36%	0.355	S	S	.	.	H	α-helix	trans	-60	-42.7	177.7	-170.7	0	0	0	0	112.2	R497 E498 S503 E504 H505	R497-S501 PolarHBondContact O-N 3Å; E498-S501 WeakPolarHBondContact O-CB 3.33Å; E498-S501 PolarHBondContact O-N 3.38Å; S501-S503 PolarHBondContact O-N 2.87Å; S501-E504 PolarHBondContact O-N 3.36Å; S501-H505 WeakPolarHBondContact O-CB 3.43Å; S501-H505 PolarHBondContact O-N 3.5Å
502	M	93.6	Very high	92.3	Very high	58 Å²	58	78.7 Å²	78.7	29%	0.286	38%	0.375	S	S	.	.	H	α-helix	trans	-60.8	-42.7	174.7	-171.9	-177.5	-68.8	0	0	111.9	F324 K327 E498 L499 Q500 E504 H505 L506	F324-M502 HydrophobicContact CB-SD 4.18Å; F324-M502 HydrophobicContact CD2-CB 4.34Å; F324-M502 HydrophobicContact CD2-CG 3.97Å; F324-M502 HydrophobicContact CD2-SD 3.88Å; K327-M502 HydrophobicContact CG-CE 4.39Å; E498-M502 PolarHBondContact O-N 3.38Å; L499-M502 PolarHBondContact O-N 3.36Å; Q500-M502 VanDerWaalsContact C-N 3.34Å; Q500-M502 PolarHBondContact O-N 3.13Å; M502-E504 VanDerWaalsContact C-N 3.34Å; M502-E504 PolarHBondContact O-N 2.88Å; M502-H505 WeakPolarHBondContact O-CB 3.48Å; M502-H505 PolarHBondContact O-N 3.06Å; M502-L506 PolarHBondContact O-N 2.84Å
503	S	93.4	Very high	92	Very high	20 Å²	20	81.5 Å²	81.5	14%	0.14	39%	0.39	C	S	.	.	H	α-helix	trans	-63.1	-39.7	174.9	-161.1	0	0	0	0	112.2	L499 Q500 S501 H505 R507	L499-S503 PolarHBondContact O-N 2.88Å; Q500-S503 WeakPolarHBondContact O-CB 3.4Å; Q500-S503 PolarHBondContact O-N 2.99Å; S501-S503 PolarHBondContact O-N 2.87Å; S503-H505 VanDerWaalsContact C-N 3.32Å; S503-H505 PolarHBondContact O-N 2.93Å; S503-R507 VanDerWaalsContact O-CB 3.22Å; S503-R507 WeakPolarHBondContact O-CB 3.3Å; S503-R507 PolarHBondContact O-N 2.94Å
504	E	92.8	Very high	91.9	Very high	72 Å²	72	82.7 Å²	82.7	34%	0.336	41%	0.405	S	S	.	.	H	α-helix	trans	-73.1	-22.1	176.6	-66.7	-167.5	-171.3	0	0	113.9	Q500 S501 M502 R507 R508	Q500-E504 PolarHBondContact NE2-OE1 3.19Å; Q500-E504 WeakPolarHBondContact O-CG 3.23Å; Q500-E504 PolarHBondContact O-N 3.17Å; S501-E504 PolarHBondContact O-N 3.36Å; M502-E504 VanDerWaalsContact C-N 3.34Å; M502-E504 PolarHBondContact O-N 2.88Å; E504-R507 IonicContact OE2-NH2 2.71Å; E504-R508 WeakPolarHBondContact O-CG 3.47Å; E504-R508 PolarHBondContact O-N 3.21Å; E504-R508 PolarHBondContact O-NE 2.81Å
505	H	91.9	Very high	91.6	Very high	82 Å²	82	80 Å²	80	38%	0.38	40%	0.402	S	S	.	.	H	α-helix	trans	-74.5	-53.8	170.5	-169.6	-0	0	0	0	111.3	S501 M502 S503 R507 R508 E509	S501-H505 WeakPolarHBondContact O-CB 3.43Å; S501-H505 PolarHBondContact O-N 3.5Å; M502-H505 WeakPolarHBondContact O-CB 3.48Å; M502-H505 PolarHBondContact O-N 3.06Å; S503-H505 VanDerWaalsContact C-N 3.32Å; S503-H505 PolarHBondContact O-N 2.93Å; H505-R507 PolarHBondContact O-N 2.8Å; H505-R508 VanDerWaalsContact CA-NH2 3.33Å; H505-R508 WeakPolarHBondContact O-CA 3.19Å; H505-R508 WeakPolarHBondContact O-CB 3.34Å; H505-R508 PolarHBondContact O-N 3.49Å; H505-E509 IonicContact CE1-OE1 2.79Å; H505-E509 PolarHBondContact CE1-OE1 3.39Å; H505-E509 VanDerWaalsContact CE1-OE1 3.24Å; H505-E509 IonicContact CE1-OE2 3.9Å; H505-E509 PolarHBondContact CE1-OE2 3.19Å; H505-E509 VanDerWaalsContact CE1-OE2 3.24Å; H505-E509 IonicContact ND1-OE1 3.2Å; H505-E509 IonicContact ND1-OE2 2.7Å; H505-E509 PolarHBondContact ND1-OE2 2.95Å; H505-E509 PolarHBondContact O-N 2.74Å; H505-E509 VanDerWaalsContact O-N 3.14Å
506	L	90.7	Very high	91.3	Very high	13 Å²	13	80.3 Å²	80.3	7%	0.068	40%	0.404	C	S	.	.	H	α-helix	trans	-53.8	-41.5	173.2	-83.3	167.5	0	0	0	112	P320 F324 M502 R508 E509 C510 G511	P320-L506 HydrophobicContact CB-CD2 3.92Å; P320-L506 HydrophobicContact CG-CD2 3.95Å; F324-L506 HydrophobicContact CB-CD1 3.55Å; F324-L506 HydrophobicContact CD1-CD1 4.46Å; F324-L506 HydrophobicContact CD2-CD1 4.03Å; F324-L506 HydrophobicContact CG-CD1 3.75Å; M502-L506 PolarHBondContact O-N 2.84Å; L506-R508 PolarHBondContact O-N 2.7Å; L506-E509 PolarHBondContact O-N 3.41Å; L506-C510 WeakPolarHBondContact O-CB 3.47Å; L506-C510 PolarHBondContact O-N 2.69Å; L506-G511 PolarHBondContact O-N 2.83Å
507	R	90.7	Very high	91.1	Very high	137 Å²	137	87.5 Å²	87.5	52%	0.517	43%	0.433	S	S	.	.	H	α-helix	trans	-63	-26.8	176.7	-171.2	-175	68.2	-158.6	-4.9	113.8	S503 E504 H505 G511	S503-R507 VanDerWaalsContact O-CB 3.22Å; S503-R507 WeakPolarHBondContact O-CB 3.3Å; S503-R507 PolarHBondContact O-N 2.94Å; E504-R507 IonicContact OE2-NH2 2.71Å; H505-R507 PolarHBondContact O-N 2.8Å; R507-G511 WeakPolarHBondContact CA-O 3.47Å; R507-G511 WeakPolarHBondContact O-CA 3.49Å
508	R	90.8	Very high	90.9	Very high	174 Å²	174	84.5 Å²	84.5	66%	0.657	42%	0.424	S	S	*	.	H	α-helix	trans	-82.8	-36.1	177.6	-78.1	175.9	-73.2	136.9	-8.6	112.4	E504 H505 L506	E504-R508 WeakPolarHBondContact O-CG 3.47Å; E504-R508 PolarHBondContact O-N 3.21Å; E504-R508 PolarHBondContact O-NE 2.81Å; H505-R508 VanDerWaalsContact CA-NH2 3.33Å; H505-R508 WeakPolarHBondContact O-CA 3.19Å; H505-R508 WeakPolarHBondContact O-CB 3.34Å; H505-R508 PolarHBondContact O-N 3.49Å; L506-R508 PolarHBondContact O-N 2.7Å
509	E	88.9	Confident	90.8	Very high	142 Å²	142	82.5 Å²	82.5	66%	0.664	42%	0.416	S	S	*	.	H	α-helix	trans	-93.5	-47.6	-174.5	-61.1	-170	146.6	0	0	112.9	H505 L506	H505-E509 IonicContact CE1-OE1 2.79Å; H505-E509 PolarHBondContact CE1-OE1 3.39Å; H505-E509 VanDerWaalsContact CE1-OE1 3.24Å; H505-E509 IonicContact CE1-OE2 3.9Å; H505-E509 PolarHBondContact CE1-OE2 3.19Å; H505-E509 VanDerWaalsContact CE1-OE2 3.24Å; H505-E509 IonicContact ND1-OE1 3.2Å; H505-E509 IonicContact ND1-OE2 2.7Å; H505-E509 PolarHBondContact ND1-OE2 2.95Å; H505-E509 PolarHBondContact O-N 2.74Å; H505-E509 VanDerWaalsContact O-N 3.14Å; L506-E509 PolarHBondContact O-N 3.41Å
510	C	84.8	Confident	90.8	Very high	82 Å²	82	82.9 Å²	82.9	55%	0.554	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-7.2	-176.9	-52.4	0	0	0	0	113	L506	L506-C510 WeakPolarHBondContact O-CB 3.47Å; L506-C510 PolarHBondContact O-N 2.69Å
511	G	87.9	Confident	90.8	Very high	30 Å²	30	86.7 Å²	86.7	31%	0.309	43%	0.433	S	S	.	.			trans	82.3	-153.2	178.2	0	0	0	0	0	114.6	L506 R507 N513	L506-G511 PolarHBondContact O-N 2.83Å; R507-G511 WeakPolarHBondContact CA-O 3.47Å; R507-G511 WeakPolarHBondContact O-CA 3.49Å; G511-N513 PolarHBondContact O-N 3.27Å; G511-N513 VanDerWaalsContact O-N 3.1Å
512	K	85.7	Confident	90.7	Very high	207 Å²	207	84.1 Å²	84.1	90%	0.9	41%	0.414	S	S	*	.			trans	-85.1	82.2	-168.8	-68.6	179.1	-177.7	171	0	112.9	S514	K512-S514 PolarHBondContact O-N 2.92Å
513	N	87.9	Confident	90.8	Very high	62 Å²	62	81.3 Å²	81.3	33%	0.332	40%	0.4	S	S	.	.			trans	-75.8	115.7	166.9	-174.5	-27	0	0	0	110.8	D321 G511 A515 N516 K517	D321-N513 PolarHBondContact OD1-ND2 2.9Å; D321-N513 VanDerWaalsContact OD1-ND2 3.09Å; G511-N513 PolarHBondContact O-N 3.27Å; G511-N513 VanDerWaalsContact O-N 3.1Å; N513-A515 WeakPolarHBondContact OD1-CB 3.23Å; N513-A515 PolarHBondContact OD1-N 3.09Å; N513-N516 HydrophobicContact CB-CB 4.14Å; N513-N516 PolarHBondContact ND2-ND2 3.41Å; N513-N516 PolarHBondContact ND2-OD1 2.91Å; N513-N516 PolarHBondContact OD1-N 2.87Å; N513-K517 PolarHBondContact O-N 3.32Å
514	S	89.2	Confident	90.9	Very high	100 Å²	100	82.9 Å²	82.9	70%	0.699	40%	0.404	S	S	*	.	H	α-helix	trans	-77.8	-32.5	-179.8	54.2	0	0	0	0	113.4	K512 K517 K518	K512-S514 PolarHBondContact O-N 2.92Å; S514-K517 PolarHBondContact O-N 2.65Å; S514-K518 PolarHBondContact O-N 2.7Å
515	A	89	Confident	91	Very high	55 Å²	55	81.2 Å²	81.2	46%	0.455	40%	0.4	S	S	.	.	H	α-helix	trans	-66.7	-49.5	177.4	0	0	0	0	0	110.6	N513 K517 K518 M519	N513-A515 WeakPolarHBondContact OD1-CB 3.23Å; N513-A515 PolarHBondContact OD1-N 3.09Å; A515-K517 VanDerWaalsContact C-N 3.26Å; A515-K517 PolarHBondContact O-N 3.24Å; A515-K518 WeakPolarHBondContact O-CB 3.44Å; A515-K518 PolarHBondContact O-N 3.17Å; A515-M519 WeakPolarHBondContact O-CG 3.5Å; A515-M519 PolarHBondContact O-N 3.24Å
516	N	88.9	Confident	91	Very high	15 Å²	15	77.3 Å²	77.3	8%	0.08	38%	0.382	C	S	.	.	H	α-helix	trans	-57.5	-40.9	176.3	-68.2	12.6	0	0	0	111.6	D321 F324 N513 L520	D321-N516 PolarHBondContact OD1-ND2 2.98Å; F324-N516 HydrophobicContact CD1-CB 3.97Å; F324-N516 HydrophobicContact CE1-CB 3.59Å; F324-N516 HydrophobicContact CZ-CB 4.49Å; N513-N516 HydrophobicContact CB-CB 4.14Å; N513-N516 PolarHBondContact ND2-ND2 3.41Å; N513-N516 PolarHBondContact ND2-OD1 2.91Å; N513-N516 PolarHBondContact OD1-N 2.87Å; N516-L520 WeakPolarHBondContact O-CB 3.4Å; N516-L520 PolarHBondContact O-N 3.33Å
517	K	90.7	Very high	91.1	Very high	161 Å²	161	80.1 Å²	80.1	70%	0.7	40%	0.397	S	S	*	.	H	α-helix	trans	-64.5	-40.6	175.9	-173.3	-175.2	176.3	-171.9	0	112.2	N513 S514 A515 K521	N513-K517 PolarHBondContact O-N 3.32Å; S514-K517 PolarHBondContact O-N 2.65Å; A515-K517 VanDerWaalsContact C-N 3.26Å; A515-K517 PolarHBondContact O-N 3.24Å; K517-K521 WeakPolarHBondContact O-CB 3.31Å; K517-K521 PolarHBondContact O-N 2.76Å; K517-K521 VanDerWaalsContact O-N 3.16Å
518	K	93.1	Very high	91	Very high	118 Å²	118	77.5 Å²	77.5	51%	0.513	41%	0.405	S	S	.	.	H	α-helix	trans	-65	-53.9	175.8	-178.7	-178.7	-177.4	-61.2	0	110.4	S514 A515 L520 K521 D522	S514-K518 PolarHBondContact O-N 2.7Å; A515-K518 WeakPolarHBondContact O-CB 3.44Å; A515-K518 PolarHBondContact O-N 3.17Å; K518-L520 VanDerWaalsContact C-N 3.32Å; K518-L520 PolarHBondContact O-N 3.35Å; K518-K521 PolarHBondContact O-N 2.77Å; K518-D522 WeakPolarHBondContact CE-OD2 3.4Å; K518-D522 VanDerWaalsContact CG-OD2 3.25Å; K518-D522 WeakPolarHBondContact CG-OD2 3.44Å; K518-D522 IonicContact NZ-OD2 2.83Å; K518-D522 PolarHBondContact NZ-OD2 2.92Å; K518-D522 WeakPolarHBondContact O-CB 3.17Å; K518-D522 PolarHBondContact O-N 3.03Å
519	M	92.9	Very high	91	Very high	59 Å²	59	73.2 Å²	73.2	29%	0.291	39%	0.389	S	S	.	.	H	α-helix	trans	-50.5	-49.3	178.2	-75.5	-173.6	75.3	0	0	112.5	M325 V328 A515 D522 A523	M325-M519 HydrophobicContact CB-CE 4.41Å; M325-M519 HydrophobicContact CG-CE 3.82Å; M325-M519 HydrophobicContact CG-SD 4.43Å; V328-M519 HydrophobicContact CB-CE 4.14Å; V328-M519 HydrophobicContact CG1-CB 4.31Å; V328-M519 HydrophobicContact CG1-CE 4.06Å; A515-M519 WeakPolarHBondContact O-CG 3.5Å; A515-M519 PolarHBondContact O-N 3.24Å; M519-D522 PolarHBondContact O-N 3.31Å; M519-A523 VanDerWaalsContact O-CB 3.26Å; M519-A523 WeakPolarHBondContact O-CB 3.44Å; M519-A523 PolarHBondContact O-N 2.85Å
520	L	94.1	Very high	90.7	Very high	10 Å²	10	71.8 Å²	71.8	5%	0.052	40%	0.395	C	S	.	.	H	α-helix	trans	-65.8	-43.5	-179.3	-169.2	65.6	0	0	0	112.6	F324 L499 N516 K518 F524	F324-L520 HydrophobicContact CZ-CB 4.19Å; F324-L520 HydrophobicContact CZ-CD1 4.13Å; F324-L520 HydrophobicContact CZ-CD2 4.31Å; F324-L520 HydrophobicContact CZ-CG 4.46Å; L499-L520 HydrophobicContact CD2-CD1 3.61Å; L499-L520 HydrophobicContact CG-CD1 3.65Å; N516-L520 WeakPolarHBondContact O-CB 3.4Å; N516-L520 PolarHBondContact O-N 3.33Å; K518-L520 VanDerWaalsContact C-N 3.32Å; K518-L520 PolarHBondContact O-N 3.35Å; L520-F524 HydrophobicContact CD1-CD1 4.37Å; L520-F524 HydrophobicContact CD1-CD2 4.25Å; L520-F524 HydrophobicContact CD1-CE1 3.8Å; L520-F524 HydrophobicContact CD1-CE2 3.65Å; L520-F524 HydrophobicContact CD1-CZ 3.4Å; L520-F524 VanDerWaalsContact CD1-CZ 3.4Å; L520-F524 HydrophobicContact CD2-CE2 4.1Å; L520-F524 HydrophobicContact CG-CD2 4.03Å; L520-F524 HydrophobicContact CG-CE2 3.68Å; L520-F524 HydrophobicContact CG-CZ 4.01Å; L520-F524 WeakPolarHBondContact O-CB 3.4Å; L520-F524 WeakPolarHBondContact O-CG 3.3Å; L520-F524 PolarHBondContact O-N 3.06Å
521	K	94.3	Very high	90.8	Very high	150 Å²	150	70.6 Å²	70.6	65%	0.652	38%	0.383	S	S	*	.	H	α-helix	trans	-61.6	-46	177.5	-174.6	-151.8	170.7	-155.5	0	110.9	K517 K518 S525	K517-K521 WeakPolarHBondContact O-CB 3.31Å; K517-K521 PolarHBondContact O-N 2.76Å; K517-K521 VanDerWaalsContact O-N 3.16Å; K518-K521 PolarHBondContact O-N 2.77Å; K521-S525 WeakPolarHBondContact O-CB 3.41Å; K521-S525 PolarHBondContact O-N 3.47Å
522	D	93.8	Very high	90.9	Very high	19 Å²	19	69.3 Å²	69.3	10%	0.102	37%	0.37	C	S	.	.	H	α-helix	trans	-69.9	-42.5	-176.3	-63.2	-7.2	0	0	0	110.2	K518 M519 S525 V537 Q540	K518-D522 WeakPolarHBondContact CE-OD2 3.4Å; K518-D522 VanDerWaalsContact CG-OD2 3.25Å; K518-D522 WeakPolarHBondContact CG-OD2 3.44Å; K518-D522 IonicContact NZ-OD2 2.83Å; K518-D522 PolarHBondContact NZ-OD2 2.92Å; K518-D522 WeakPolarHBondContact O-CB 3.17Å; K518-D522 PolarHBondContact O-N 3.03Å; M519-D522 PolarHBondContact O-N 3.31Å; D522-S525 PolarHBondContact O-N 2.83Å; D522-S525 PolarHBondContact O-OG 2.97Å; D522-V537 WeakPolarHBondContact O-CG2 3.23Å; D522-Q540 PolarHBondContact O-NE2 2.75Å; D522-Q540 VanDerWaalsContact O-NE2 3.14Å
523	A	94.6	Very high	91.2	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-60.2	-47.6	173.2	0	0	0	0	0	112.4	V328 F331 I332 M519 S525 L526	V328-A523 HydrophobicContact CG1-CB 3.87Å; F331-A523 HydrophobicContact CD1-CB 4.2Å; I332-A523 HydrophobicContact CD1-CB 4.06Å; I332-A523 HydrophobicContact CG1-CB 3.89Å; M519-A523 VanDerWaalsContact O-CB 3.26Å; M519-A523 WeakPolarHBondContact O-CB 3.44Å; M519-A523 PolarHBondContact O-N 2.85Å; A523-S525 VanDerWaalsContact C-N 3.29Å; A523-S525 PolarHBondContact O-N 2.82Å; A523-L526 WeakPolarHBondContact O-CB 3.5Å; A523-L526 WeakPolarHBondContact O-CG 3.36Å; A523-L526 PolarHBondContact O-N 3.09Å
524	F	95.8	Very high	91.4	Very high	52 Å²	52	63.7 Å²	63.7	23%	0.228	35%	0.349	C	S	.	.	H	α-helix	trans	-68.1	-25.7	177.8	-70.9	-10.7	0	0	0	113.4	F331 G496 L499 Q500 L520 L526 L527	F331-F524 HydrophobicContact CD1-CD1 4.28Å; F331-F524 HydrophobicContact CD1-CE1 4.42Å; F331-F524 HydrophobicContact CD2-CE1 4.42Å; F331-F524 AromaticContact CE1-CD1 3.73Å; F331-F524 HydrophobicContact CE1-CD1 3.73Å; F331-F524 HydrophobicContact CE1-CE1 4.17Å; F331-F524 HydrophobicContact CE2-CD1 4.37Å; F331-F524 HydrophobicContact CE2-CE1 4.15Å; F331-F524 AromaticContact CZ-CD1 3.77Å; F331-F524 HydrophobicContact CZ-CD1 3.77Å; F331-F524 HydrophobicContact CZ-CE1 4.02Å; G496-F524 WeakPolarHBondContact O-CZ 3.24Å; L499-F524 HydrophobicContact CD2-CE1 4.11Å; L499-F524 HydrophobicContact CD2-CZ 4.4Å; Q500-F524 HydrophobicContact CB-CE2 4.36Å; Q500-F524 HydrophobicContact CB-CZ 4.46Å; L520-F524 HydrophobicContact CD1-CD1 4.37Å; L520-F524 HydrophobicContact CD1-CD2 4.25Å; L520-F524 HydrophobicContact CD1-CE1 3.8Å; L520-F524 HydrophobicContact CD1-CE2 3.65Å; L520-F524 HydrophobicContact CD1-CZ 3.4Å; L520-F524 VanDerWaalsContact CD1-CZ 3.4Å; L520-F524 HydrophobicContact CD2-CE2 4.1Å; L520-F524 HydrophobicContact CG-CD2 4.03Å; L520-F524 HydrophobicContact CG-CE2 3.68Å; L520-F524 HydrophobicContact CG-CZ 4.01Å; L520-F524 WeakPolarHBondContact O-CB 3.4Å; L520-F524 WeakPolarHBondContact O-CG 3.3Å; L520-F524 PolarHBondContact O-N 3.06Å; F524-L526 PolarHBondContact O-N 2.86Å; F524-L527 WeakPolarHBondContact O-CB 3.45Å; F524-L527 PolarHBondContact O-N 2.94Å
525	S	94.9	Very high	91.5	Very high	37 Å²	37	59.4 Å²	59.4	26%	0.259	32%	0.319	S	S	.	.	H	α-helix	trans	-67	-16.7	177.2	75.1	0	0	0	0	113.9	K521 D522 A523 L527 A528 Y529 V537	K521-S525 WeakPolarHBondContact O-CB 3.41Å; K521-S525 PolarHBondContact O-N 3.47Å; D522-S525 PolarHBondContact O-N 2.83Å; D522-S525 PolarHBondContact O-OG 2.97Å; A523-S525 VanDerWaalsContact C-N 3.29Å; A523-S525 PolarHBondContact O-N 2.82Å; S525-L527 PolarHBondContact O-N 2.84Å; S525-A528 WeakPolarHBondContact O-CB 3.5Å; S525-A528 PolarHBondContact O-N 2.94Å; S525-Y529 WeakPolarHBondContact O-CD2 3.3Å; S525-V537 WeakPolarHBondContact OG-CG2 3.26Å
526	L	93.4	Very high	91.7	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-61.3	-30.6	169.3	-62.2	171.8	0	0	0	111.9	I332 V335 A523 F524 A528 Y529 V537 L541	I332-L526 HydrophobicContact CG1-CD1 4.44Å; I332-L526 HydrophobicContact CG2-CD1 4.47Å; V335-L526 HydrophobicContact CG1-CB 4.21Å; V335-L526 HydrophobicContact CG1-CD1 4.22Å; A523-L526 WeakPolarHBondContact O-CB 3.5Å; A523-L526 WeakPolarHBondContact O-CG 3.36Å; A523-L526 PolarHBondContact O-N 3.09Å; F524-L526 PolarHBondContact O-N 2.86Å; L526-A528 PolarHBondContact O-N 3.22Å; L526-Y529 PolarHBondContact O-N 3.34Å; L526-V537 HydrophobicContact CD2-CG2 4.05Å; L526-V537 HydrophobicContact CG-CG2 4.48Å; L526-L541 HydrophobicContact CD1-CD2 4.2Å; L526-L541 HydrophobicContact CD1-CG 4.49Å; L526-L541 HydrophobicContact CD2-CD1 4.44Å
527	L	90.9	Very high	92	Very high	72 Å²	72	61.8 Å²	61.8	38%	0.377	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-70.1	-14	178.6	-59.1	-174.8	0	0	0	114	F331 V335 L481 M492 F524 S525 Y529	F331-L527 HydrophobicContact CZ-CD1 4Å; F331-L527 HydrophobicContact CZ-CD2 4.06Å; F331-L527 HydrophobicContact CZ-CG 4.09Å; V335-L527 HydrophobicContact CG2-CD2 4.25Å; L481-L527 HydrophobicContact CD2-CD2 4.12Å; M492-L527 HydrophobicContact CE-CD2 3.47Å; M492-L527 VanDerWaalsContact CE-CD2 3.47Å; M492-L527 HydrophobicContact SD-CD2 3.77Å; F524-L527 WeakPolarHBondContact O-CB 3.45Å; F524-L527 PolarHBondContact O-N 2.94Å; S525-L527 PolarHBondContact O-N 2.84Å; L527-Y529 PolarHBondContact O-N 2.86Å
528	A	90.5	Very high	92	Very high	82 Å²	82	54.3 Å²	54.3	68%	0.678	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-77.3	-3.4	178.4	0	0	0	0	0	113.3	S525 L526	S525-A528 WeakPolarHBondContact O-CB 3.5Å; S525-A528 PolarHBondContact O-N 2.94Å; L526-A528 PolarHBondContact O-N 3.22Å
529	Y	89	Confident	92.1	Very high	84 Å²	84	53.9 Å²	53.9	33%	0.329	30%	0.295	S	S	.	.	S	Bend	trans	-125.5	133.5	-174	-61.7	-94.8	0	0	0	110.6	S525 L526 L527 D531 P536	S525-Y529 WeakPolarHBondContact O-CD2 3.3Å; L526-Y529 PolarHBondContact O-N 3.34Å; L527-Y529 PolarHBondContact O-N 2.86Å; Y529-D531 WeakPolarHBondContact CB-O 3.47Å; Y529-D531 PolarHBondContact O-N 2.67Å; Y529-P536 VanDerWaalsContact CZ-CD 3.42Å; Y529-P536 WeakPolarHBondContact OH-CD 3.49Å
530	S	83.8	Confident	92.1	Very high	113 Å²	113	52 Å²	52	79%	0.79	29%	0.286	S	S	*	.	S	Bend	trans	-67.4	-26.3	177.9	-48.4	0	0	0	0	113.1
531	D	87.4	Confident	92.1	Very high	57 Å²	57	51.7 Å²	51.7	31%	0.305	28%	0.284	S	S	.	.	S	Bend	trans	-115.5	109.3	163.9	177.6	-7.2	0	0	0	107.8	Y529 W533 S534	Y529-D531 WeakPolarHBondContact CB-O 3.47Å; Y529-D531 PolarHBondContact O-N 2.67Å; D531-W533 PolarHBondContact O-N 3.48Å; D531-W533 VanDerWaalsContact O-N 3.13Å; D531-W533 WeakPolarHBondContact OD1-CB 3.46Å; D531-W533 PolarHBondContact OD1-N 3.41Å; D531-S534 WeakPolarHBondContact O-CB 3.39Å; D531-S534 PolarHBondContact O-N 3.07Å; D531-S534 PolarHBondContact O-OG 2.89Å
532	P	90.2	Very high	92.1	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.019	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-56	-25.9	179.3	-30.3	39	0	0	0	114.9	V335 L481 S534 S535 L541	V335-P532 HydrophobicContact CG1-CB 3.83Å; V335-P532 HydrophobicContact CG1-CG 3.76Å; L481-P532 HydrophobicContact CD2-CG 3.54Å; L481-P532 HydrophobicContact CG-CG 3.84Å; P532-S534 VanDerWaalsContact C-N 3.28Å; P532-S534 PolarHBondContact O-N 2.96Å; P532-S535 WeakPolarHBondContact O-CB 3.44Å; P532-S535 PolarHBondContact O-N 3.29Å; P532-L541 HydrophobicContact CB-CD1 3.63Å
533	W	91.1	Very high	92	Very high	79 Å²	79	49.4 Å²	49.4	30%	0.299	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-72.8	-20.7	177.9	-65.4	85.5	0	0	0	112.9	D531 S535 L541 D542	D531-W533 PolarHBondContact O-N 3.48Å; D531-W533 VanDerWaalsContact O-N 3.13Å; D531-W533 WeakPolarHBondContact OD1-CB 3.46Å; D531-W533 PolarHBondContact OD1-N 3.41Å; W533-S535 PolarHBondContact O-N 2.99Å; W533-L541 HydrophobicContact CD2-CB 4.26Å; W533-L541 HydrophobicContact CD2-CD1 3.84Å; W533-L541 HydrophobicContact CE3-CB 4.3Å; W533-L541 HydrophobicContact CE3-CD1 4.41Å; W533-L541 HydrophobicContact CG-CD1 3.96Å; W533-L541 HydrophobicContact CH2-CB 3.59Å; W533-L541 HydrophobicContact CZ2-CB 3.53Å; W533-L541 HydrophobicContact CZ2-CD1 4.35Å; W533-L541 HydrophobicContact CZ3-CB 3.98Å; W533-D542 WeakPolarHBondContact CZ3-OD1 3.11Å
534	S	91.2	Very high	92	Very high	72 Å²	72	53 Å²	53	50%	0.503	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-78.3	-4.6	173.5	71.8	0	0	0	0	114.1	D531 P532	D531-S534 WeakPolarHBondContact O-CB 3.39Å; D531-S534 PolarHBondContact O-N 3.07Å; D531-S534 PolarHBondContact O-OG 2.89Å; P532-S534 VanDerWaalsContact C-N 3.28Å; P532-S534 PolarHBondContact O-N 2.96Å
535	S	92.9	Very high	92	Very high	10 Å²	10	53.7 Å²	53.7	7%	0.07	31%	0.312	C	S	.	.	S	Bend	trans	-70	145.1	177.8	-177.2	0	0	0	0	112	P532 W533 V537 G538	P532-S535 WeakPolarHBondContact O-CB 3.44Å; P532-S535 PolarHBondContact O-N 3.29Å; W533-S535 PolarHBondContact O-N 2.99Å; S535-V537 PolarHBondContact O-N 2.94Å; S535-V537 PolarHBondContact OG-N 3.35Å; S535-G538 PolarHBondContact O-N 3.38Å
536	P	92.9	Very high	92	Very high	100 Å²	100	53.2 Å²	53.2	65%	0.649	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-13.4	167.7	-26.1	35.2	0	0	0	114.9	Y529	Y529-P536 VanDerWaalsContact CZ-CD 3.42Å; Y529-P536 WeakPolarHBondContact OH-CD 3.49Å
537	V	93.8	Very high	92.1	Very high	20 Å²	20	58.4 Å²	58.4	12%	0.121	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	23.1	172.2	-59.2	0	0	0	0	113.2	D522 S525 L526 S535 Y539 Q540	D522-V537 WeakPolarHBondContact O-CG2 3.23Å; S525-V537 WeakPolarHBondContact OG-CG2 3.26Å; L526-V537 HydrophobicContact CD2-CG2 4.05Å; L526-V537 HydrophobicContact CG-CG2 4.48Å; S535-V537 PolarHBondContact O-N 2.94Å; S535-V537 PolarHBondContact OG-N 3.35Å; V537-Y539 HydrophobicContact CB-CE1 4.01Å; V537-Y539 HydrophobicContact CG1-CE1 4.08Å; V537-Y539 PolarHBondContact O-N 2.97Å; V537-Q540 WeakPolarHBondContact O-CB 3.24Å; V537-Q540 WeakPolarHBondContact O-CG 3.19Å; V537-Q540 PolarHBondContact O-N 2.84Å; V537-Q540 PolarHBondContact O-NE2 2.92Å
538	G	92.1	Very high	92.3	Very high	4 Å²	4	58.5 Å²	58.5	4%	0.041	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-58.1	-26.9	177.3	0	0	0	0	0	113.5	S535 Q540 L541	S535-G538 PolarHBondContact O-N 3.38Å; G538-Q540 PolarHBondContact O-N 3.25Å; G538-L541 VanDerWaalsContact O-CB 3.3Å; G538-L541 WeakPolarHBondContact O-CB 3.46Å; G538-L541 WeakPolarHBondContact O-CG 3.4Å; G538-L541 PolarHBondContact O-N 3Å
539	Y	94.4	Very high	92.5	Very high	109 Å²	109	55.2 Å²	55.2	43%	0.427	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-54.7	-20.9	172.4	69.6	-98.4	0	0	0	113.7	V537 L541 D542 Q545	V537-Y539 HydrophobicContact CB-CE1 4.01Å; V537-Y539 HydrophobicContact CG1-CE1 4.08Å; V537-Y539 PolarHBondContact O-N 2.97Å; Y539-L541 PolarHBondContact O-N 2.81Å; Y539-D542 WeakPolarHBondContact CA-OD2 3.33Å; Y539-D542 WeakPolarHBondContact O-CB 3.35Å; Y539-D542 PolarHBondContact O-N 2.66Å; Y539-D542 VanDerWaalsContact O-OD2 3.11Å; Y539-Q545 WeakPolarHBondContact O-CG 2.91Å
540	Q	93.8	Very high	92.8	Very high	20 Å²	20	51.6 Å²	51.6	9%	0.093	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-60.8	-24.8	173.4	-72.2	179.6	108.4	0	0	112.8	R329 I332 D522 V537 G538 D542	R329-Q540 PolarHBondContact NH1-O 2.97Å; R329-Q540 PolarHBondContact NH2-O 3.44Å; R329-Q540 VanDerWaalsContact NH2-O 3.11Å; I332-Q540 HydrophobicContact CD1-CB 4.44Å; I332-Q540 HydrophobicContact CG2-CB 4.41Å; D522-Q540 PolarHBondContact O-NE2 2.75Å; D522-Q540 VanDerWaalsContact O-NE2 3.14Å; V537-Q540 WeakPolarHBondContact O-CB 3.24Å; V537-Q540 WeakPolarHBondContact O-CG 3.19Å; V537-Q540 PolarHBondContact O-N 2.84Å; V537-Q540 PolarHBondContact O-NE2 2.92Å; G538-Q540 PolarHBondContact O-N 3.25Å; Q540-D542 VanDerWaalsContact C-N 3.3Å
541	L	93.3	Very high	93.3	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-78.3	-14.6	-179.3	-59.3	162.3	0	0	0	112.7	I332 V335 N336 L526 P532 W533 G538 Y539	I332-L541 HydrophobicContact CG2-CD2 4.05Å; V335-L541 HydrophobicContact CG1-CD2 4.04Å; N336-L541 HydrophobicContact CB-CD2 3.84Å; N336-L541 PolarHBondContact ND2-O 3.33Å; L526-L541 HydrophobicContact CD1-CD2 4.2Å; L526-L541 HydrophobicContact CD1-CG 4.49Å; L526-L541 HydrophobicContact CD2-CD1 4.44Å; P532-L541 HydrophobicContact CB-CD1 3.63Å; W533-L541 HydrophobicContact CD2-CB 4.26Å; W533-L541 HydrophobicContact CD2-CD1 3.84Å; W533-L541 HydrophobicContact CE3-CB 4.3Å; W533-L541 HydrophobicContact CE3-CD1 4.41Å; W533-L541 HydrophobicContact CG-CD1 3.96Å; W533-L541 HydrophobicContact CH2-CB 3.59Å; W533-L541 HydrophobicContact CZ2-CB 3.53Å; W533-L541 HydrophobicContact CZ2-CD1 4.35Å; W533-L541 HydrophobicContact CZ3-CB 3.98Å; G538-L541 VanDerWaalsContact O-CB 3.3Å; G538-L541 WeakPolarHBondContact O-CB 3.46Å; G538-L541 WeakPolarHBondContact O-CG 3.4Å; G538-L541 PolarHBondContact O-N 3Å; Y539-L541 PolarHBondContact O-N 2.81Å
542	D	94.1	Very high	93.6	Very high	65 Å²	65	49 Å²	49	35%	0.348	28%	0.276	S	S	.	.	S	Bend	trans	-62	142.6	177.5	-67.3	-46	0	0	0	111.7	W533 Y539 Q540 V544 Q545	W533-D542 WeakPolarHBondContact CZ3-OD1 3.11Å; Y539-D542 WeakPolarHBondContact CA-OD2 3.33Å; Y539-D542 WeakPolarHBondContact O-CB 3.35Å; Y539-D542 PolarHBondContact O-N 2.66Å; Y539-D542 VanDerWaalsContact O-OD2 3.11Å; Q540-D542 VanDerWaalsContact C-N 3.3Å; D542-V544 VanDerWaalsContact C-N 3.26Å; D542-V544 HydrophobicContact CB-CG1 4.03Å; D542-V544 PolarHBondContact O-N 2.91Å; D542-Q545 HydrophobicContact CB-CG 4.28Å; D542-Q545 WeakPolarHBondContact O-CB 3.41Å; D542-Q545 PolarHBondContact O-N 3.22Å; D542-Q545 VanDerWaalsContact O-N 3.11Å
543	A	93	Very high	93.9	Very high	57 Å²	57	49 Å²	49	47%	0.471	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-62.2	-32.4	-177.8	0	0	0	0	0	113	Q545 R546	A543-Q545 PolarHBondContact O-N 2.99Å; A543-R546 VanDerWaalsContact O-CB 3.22Å; A543-R546 WeakPolarHBondContact O-CB 3.24Å; A543-R546 WeakPolarHBondContact O-CD 3.4Å; A543-R546 VanDerWaalsContact O-CG 3.29Å; A543-R546 WeakPolarHBondContact O-CG 3.26Å; A543-R546 PolarHBondContact O-N 3.08Å
544	V	94.6	Very high	94.1	Very high	74 Å²	74	45.3 Å²	45.3	45%	0.448	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-58.3	-29.5	176.6	70.1	0	0	0	0	112.4	D542 R546 E547 P548	D542-V544 VanDerWaalsContact C-N 3.26Å; D542-V544 HydrophobicContact CB-CG1 4.03Å; D542-V544 PolarHBondContact O-N 2.91Å; V544-R546 PolarHBondContact O-N 2.91Å; V544-E547 WeakPolarHBondContact O-CB 3.2Å; V544-E547 PolarHBondContact O-N 3.07Å; V544-P548 WeakPolarHBondContact O-CD 3.23Å
545	Q	95	Very high	94.3	Very high	68 Å²	68	42.7 Å²	42.7	32%	0.318	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-71.6	-2	178.5	-56.2	-64.4	-27.6	0	0	113.4	R329 Y539 D542 A543	R329-Q545 PolarHBondContact NH1-O 3.08Å; Y539-Q545 WeakPolarHBondContact O-CG 2.91Å; D542-Q545 HydrophobicContact CB-CG 4.28Å; D542-Q545 WeakPolarHBondContact O-CB 3.41Å; D542-Q545 PolarHBondContact O-N 3.22Å; D542-Q545 VanDerWaalsContact O-N 3.11Å; A543-Q545 PolarHBondContact O-N 2.99Å
546	R	95.6	Very high	94.4	Very high	26 Å²	26	42.5 Å²	42.5	10%	0.098	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-81.4	-27.2	168.3	-59.9	167.6	178.3	158.2	4.6	111.8	V296 L297 E333 A543 V544 V549 C550	V296-R546 WeakPolarHBondContact O-CD 3.48Å; L297-R546 HydrophobicContact CD2-CB 4.25Å; L297-R546 WeakPolarHBondContact O-CD 3.37Å; L297-R546 PolarHBondContact O-NH1 2.85Å; E333-R546 WeakPolarHBondContact OE1-CG 3.45Å; E333-R546 IonicContact OE1-CZ 2.68Å; E333-R546 IonicContact OE1-NE 2.69Å; E333-R546 PolarHBondContact OE1-NE 2.95Å; E333-R546 IonicContact OE1-NH2 3.59Å; E333-R546 IonicContact OE2-CZ 3.39Å; E333-R546 IonicContact OE2-NE 3.68Å; E333-R546 PolarHBondContact OE2-NE 2.95Å; E333-R546 IonicContact OE2-NH2 3.57Å; E333-R546 PolarHBondContact OE2-NH2 2.84Å; A543-R546 VanDerWaalsContact O-CB 3.22Å; A543-R546 WeakPolarHBondContact O-CB 3.24Å; A543-R546 WeakPolarHBondContact O-CD 3.4Å; A543-R546 VanDerWaalsContact O-CG 3.29Å; A543-R546 WeakPolarHBondContact O-CG 3.26Å; A543-R546 PolarHBondContact O-N 3.08Å; V544-R546 PolarHBondContact O-N 2.91Å; R546-V549 PolarHBondContact O-N 3.16Å; R546-C550 VanDerWaalsContact O-CB 3.26Å; R546-C550 WeakPolarHBondContact O-CB 3.37Å; R546-C550 PolarHBondContact O-N 2.92Å
547	E	94.6	Very high	94.5	Very high	109 Å²	109	37.9 Å²	37.9	51%	0.509	21%	0.212	S	C	.	.	H	α-helix	trans	-64.1	-43.7	-172.6	-63.2	171.7	-158.3	0	0	113.8	L297 V544 V549 C550 S551	L297-E547 HydrophobicContact CD2-CG 3.91Å; V544-E547 WeakPolarHBondContact O-CB 3.2Å; V544-E547 PolarHBondContact O-N 3.07Å; E547-V549 VanDerWaalsContact C-N 3.3Å; E547-V549 PolarHBondContact O-N 2.85Å; E547-C550 WeakPolarHBondContact O-CB 3.46Å; E547-C550 PolarHBondContact O-N 2.91Å; E547-S551 WeakPolarHBondContact O-CB 3.17Å; E547-S551 PolarHBondContact O-N 2.83Å
548	P	94.3	Very high	94.4	Very high	75 Å²	75	37.1 Å²	37.1	49%	0.487	21%	0.208	S	C	.	.	H	α-helix	trans	-63.2	-37.3	177.1	-22.4	34.4	0	0	0	112.4	V544 T552	V544-P548 WeakPolarHBondContact O-CD 3.23Å; P548-T552 WeakPolarHBondContact O-CB 3.28Å; P548-T552 PolarHBondContact O-N 2.87Å; P548-T552 PolarHBondContact O-OG1 3.06Å
549	V	94.9	Very high	94.4	Very high	12 Å²	12	40.5 Å²	40.5	7%	0.073	22%	0.222	C	C	.	.	H	α-helix	trans	-69	-44	177.3	179.2	0	0	0	0	110.4	M301 M325 L326 R329 R546 E547 T552 L553	M301-V549 HydrophobicContact CE-CG1 4.23Å; M325-V549 HydrophobicContact CE-CB 4.47Å; M325-V549 HydrophobicContact CE-CG1 4.06Å; M325-V549 HydrophobicContact CG-CG2 4.41Å; L326-V549 HydrophobicContact CD2-CG1 3.64Å; R329-V549 HydrophobicContact CB-CG1 4.24Å; R329-V549 HydrophobicContact CB-CG2 4.3Å; R329-V549 HydrophobicContact CG-CG1 4.44Å; R329-V549 HydrophobicContact CG-CG2 4.37Å; R546-V549 PolarHBondContact O-N 3.16Å; E547-V549 VanDerWaalsContact C-N 3.3Å; E547-V549 PolarHBondContact O-N 2.85Å; V549-T552 PolarHBondContact O-N 2.9Å; V549-L553 WeakPolarHBondContact O-CB 3.2Å; V549-L553 PolarHBondContact O-N 3.01Å
550	C	96.2	Very high	94.2	Very high	8 Å²	8	38.6 Å²	38.6	5%	0.054	22%	0.223	C	C	.	.	H	α-helix	trans	-61.7	-43.1	176.1	-170	0	0	0	0	112.4	V296 L297 R546 E547 N554	V296-C550 HydrophobicContact CB-CB 4.25Å; V296-C550 HydrophobicContact CG1-CB 3.62Å; L297-C550 HydrophobicContact CD2-CB 4.03Å; L297-C550 HydrophobicContact CG-CB 4.39Å; R546-C550 VanDerWaalsContact O-CB 3.26Å; R546-C550 WeakPolarHBondContact O-CB 3.37Å; R546-C550 PolarHBondContact O-N 2.92Å; E547-C550 WeakPolarHBondContact O-CB 3.46Å; E547-C550 PolarHBondContact O-N 2.91Å; C550-N554 WeakPolarHBondContact O-CB 3.24Å; C550-N554 PolarHBondContact O-N 3.35Å
551	S	93.4	Very high	93.9	Very high	51 Å²	51	41.9 Å²	41.9	36%	0.357	24%	0.238	S	C	.	.	H	α-helix	trans	-65.3	-49.6	177.1	-172.5	0	0	0	0	111.1	E547 L553 N554 S555	E547-S551 WeakPolarHBondContact O-CB 3.17Å; E547-S551 PolarHBondContact O-N 2.83Å; S551-L553 VanDerWaalsContact C-N 3.34Å; S551-L553 PolarHBondContact O-N 2.81Å; S551-N554 WeakPolarHBondContact O-CB 3.42Å; S551-N554 PolarHBondContact O-N 3.12Å; S551-N554 VanDerWaalsContact O-N 3.1Å; S551-S555 PolarHBondContact O-N 3.39Å; S551-S555 PolarHBondContact O-OG 2.89Å
552	T	94.9	Very high	93.7	Very high	66 Å²	66	49.1 Å²	49.1	41%	0.405	28%	0.276	S	S	.	.	H	α-helix	trans	-61.6	-39.6	-179.9	-53	0	0	0	0	112.4	L322 M325 P548 V549 A556	L322-T552 HydrophobicContact CD1-CG2 4.44Å; M325-T552 HydrophobicContact CE-CG2 3.75Å; M325-T552 HydrophobicContact SD-CG2 4.28Å; P548-T552 WeakPolarHBondContact O-CB 3.28Å; P548-T552 PolarHBondContact O-N 2.87Å; P548-T552 PolarHBondContact O-OG1 3.06Å; V549-T552 PolarHBondContact O-N 2.9Å; T552-A556 PolarHBondContact O-N 2.9Å; T552-A556 VanDerWaalsContact O-N 3.1Å
553	L	96.2	Very high	93.5	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-64.8	-44.4	173.2	175.4	55.6	0	0	0	111.7	I292 V296 T308 L316 L322 L326 V549 S551 S555 A556 I557	I292-L553 HydrophobicContact CG2-CD2 3.55Å; I292-L553 HydrophobicContact CG2-CG 4.32Å; V296-L553 HydrophobicContact CG2-CD2 4.11Å; T308-L553 HydrophobicContact CG2-CD1 3.97Å; L316-L553 HydrophobicContact CD2-CD1 4.43Å; L322-L553 HydrophobicContact CD1-CB 4.39Å; L322-L553 HydrophobicContact CD2-CD1 4.25Å; L326-L553 HydrophobicContact CD1-CD1 4.27Å; L326-L553 HydrophobicContact CD1-CD2 4.42Å; L326-L553 HydrophobicContact CD2-CB 4.4Å; L326-L553 HydrophobicContact CD2-CD2 3.95Å; V549-L553 WeakPolarHBondContact O-CB 3.2Å; V549-L553 PolarHBondContact O-N 3.01Å; S551-L553 VanDerWaalsContact C-N 3.34Å; S551-L553 PolarHBondContact O-N 2.81Å; L553-S555 PolarHBondContact O-N 2.86Å; L553-A556 PolarHBondContact O-N 2.87Å; L553-I557 HydrophobicContact CD1-CD1 3.97Å; L553-I557 HydrophobicContact CD1-CG1 4.17Å; L553-I557 HydrophobicContact CG-CD1 3.98Å; L553-I557 WeakPolarHBondContact O-CG1 3.13Å; L553-I557 PolarHBondContact O-N 3.4Å
554	N	95.6	Very high	93.2	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.011	28%	0.275	C	S	.	.	H	α-helix	trans	-61.9	-43.4	177.5	-173.8	60.2	0	0	0	112.2	H261 R289 Q293 C550 S551 A556 I557 L558	H261-N554 PolarHBondContact CE1-ND2 3.21Å; H261-N554 PolarHBondContact ND1-ND2 2.97Å; H261-N554 PolarHBondContact O-ND2 2.75Å; R289-N554 PolarHBondContact NH1-OD1 3.45Å; Q293-N554 VanDerWaalsContact NE2-CG 3.29Å; C550-N554 WeakPolarHBondContact O-CB 3.24Å; C550-N554 PolarHBondContact O-N 3.35Å; S551-N554 WeakPolarHBondContact O-CB 3.42Å; S551-N554 PolarHBondContact O-N 3.12Å; S551-N554 VanDerWaalsContact O-N 3.1Å; N554-A556 VanDerWaalsContact C-N 3.33Å; N554-A556 PolarHBondContact O-N 2.85Å; N554-I557 PolarHBondContact O-N 3.09Å; N554-L558 WeakPolarHBondContact O-CG 3.45Å; N554-L558 PolarHBondContact O-N 2.96Å
555	S	94.6	Very high	93	Very high	17 Å²	17	51.5 Å²	51.5	12%	0.119	28%	0.277	C	S	.	.	H	α-helix	trans	-55.6	-46.6	172	-62.5	0	0	0	0	111.8	S551 L553 I557 L558 E559 K565	S551-S555 PolarHBondContact O-N 3.39Å; S551-S555 PolarHBondContact O-OG 2.89Å; L553-S555 PolarHBondContact O-N 2.86Å; S555-I557 VanDerWaalsContact C-N 3.34Å; S555-I557 PolarHBondContact O-N 2.75Å; S555-L558 PolarHBondContact O-N 2.92Å; S555-E559 WeakPolarHBondContact O-CG 3.24Å; S555-E559 PolarHBondContact O-N 3.06Å; S555-K565 WeakPolarHBondContact CB-O 3.46Å; S555-K565 PolarHBondContact OG-O 3.14Å
556	A	95.2	Very high	92.8	Very high	6 Å²	6	53.8 Å²	53.8	5%	0.05	29%	0.288	C	S	.	.	H	α-helix	trans	-67.8	-30.2	-179.8	0	0	0	0	0	113.7	L315 L322 T552 L553 N554	L315-A556 HydrophobicContact CD1-CB 4.23Å; L315-A556 WeakPolarHBondContact CD1-O 3.38Å; L322-A556 HydrophobicContact CD2-CB 3.47Å; L322-A556 VanDerWaalsContact CD2-CB 3.47Å; T552-A556 PolarHBondContact O-N 2.9Å; T552-A556 VanDerWaalsContact O-N 3.1Å; L553-A556 PolarHBondContact O-N 2.87Å; N554-A556 VanDerWaalsContact C-N 3.33Å; N554-A556 PolarHBondContact O-N 2.85Å
557	I	94.7	Very high	92.6	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-71	-38.3	171.9	-65.8	163.6	0	0	0	111	R289 I292 Y312 L315 L553 N554 S555 T560 H561	R289-I557 HydrophobicContact CG-CG2 3.79Å; I292-I557 HydrophobicContact CD1-CD1 3.88Å; I292-I557 HydrophobicContact CG2-CD1 4.42Å; Y312-I557 HydrophobicContact CD1-CG2 4.05Å; Y312-I557 HydrophobicContact CD2-CD1 4.09Å; Y312-I557 HydrophobicContact CD2-CG1 3.99Å; Y312-I557 HydrophobicContact CD2-CG2 3.85Å; Y312-I557 HydrophobicContact CE1-CG2 3.68Å; Y312-I557 HydrophobicContact CE2-CD1 4.06Å; Y312-I557 HydrophobicContact CE2-CG1 4.22Å; Y312-I557 HydrophobicContact CE2-CG2 3.47Å; Y312-I557 VanDerWaalsContact CE2-CG2 3.47Å; Y312-I557 HydrophobicContact CG-CG1 4.49Å; Y312-I557 HydrophobicContact CG-CG2 4.12Å; L315-I557 HydrophobicContact CD2-CB 4.45Å; L315-I557 HydrophobicContact CD2-CG1 3.52Å; L553-I557 HydrophobicContact CD1-CD1 3.97Å; L553-I557 HydrophobicContact CD1-CG1 4.17Å; L553-I557 HydrophobicContact CG-CD1 3.98Å; L553-I557 WeakPolarHBondContact O-CG1 3.13Å; L553-I557 PolarHBondContact O-N 3.4Å; N554-I557 PolarHBondContact O-N 3.09Å; S555-I557 VanDerWaalsContact C-N 3.34Å; S555-I557 PolarHBondContact O-N 2.75Å; I557-T560 PolarHBondContact O-OG1 3.34Å; I557-H561 PolarHBondContact O-ND1 3.17Å
558	L	92.5	Very high	92.5	Very high	5 Å²	5	50.2 Å²	50.2	3%	0.026	28%	0.277	C	S	.	.	H	α-helix	trans	-66.9	-38.9	176.1	-70.8	167.1	0	0	0	111.3	H261 N554 S555 T560 H561 N562 L563	H261-L558 WeakPolarHBondContact CD2-CD1 3.22Å; H261-L558 VanDerWaalsContact NE2-CD1 3.31Å; H261-L558 WeakPolarHBondContact NE2-CD1 3.49Å; N554-L558 WeakPolarHBondContact O-CG 3.45Å; N554-L558 PolarHBondContact O-N 2.96Å; S555-L558 PolarHBondContact O-N 2.92Å; L558-T560 PolarHBondContact O-N 2.89Å; L558-H561 CarbonylContact O-C 3.57Å; L558-H561 PolarHBondContact O-N 3.23Å; L558-N562 PolarHBondContact O-N 3.4Å; L558-L563 HydrophobicContact CB-CB 3.97Å; L558-L563 HydrophobicContact CD2-CB 3.91Å; L558-L563 HydrophobicContact CD2-CD1 3.68Å; L558-L563 HydrophobicContact CD2-CG 4.46Å; L558-L563 WeakPolarHBondContact O-CB 3.16Å; L558-L563 PolarHBondContact O-N 3.24Å
559	E	91.6	Very high	92.4	Very high	74 Å²	74	49.2 Å²	49.2	35%	0.346	27%	0.268	S	S	.	.	H	α-helix	trans	-57.9	-39.7	177.1	-76.8	176.3	-128.5	0	0	114.1	S555 H561 N562 K565	S555-E559 WeakPolarHBondContact O-CG 3.24Å; S555-E559 PolarHBondContact O-N 3.06Å; E559-H561 PolarHBondContact O-N 2.74Å; E559-H561 VanDerWaalsContact O-N 3.15Å; E559-N562 PolarHBondContact O-N 3.26Å; E559-K565 HydrophobicContact CG-CD 4.38Å; E559-K565 HydrophobicContact CG-CG 3.68Å; E559-K565 VanDerWaalsContact OE1-CE 3.31Å; E559-K565 WeakPolarHBondContact OE1-CE 2.99Å; E559-K565 WeakPolarHBondContact OE1-CG 3.46Å; E559-K565 IonicContact OE1-NZ 3.42Å; E559-K565 PolarHBondContact OE1-NZ 3.48Å; E559-K565 WeakPolarHBondContact OE2-CE 3.49Å; E559-K565 IonicContact OE2-NZ 3.62Å; E559-K565 PolarHBondContact OE2-NZ 2.83Å
560	T	89.9	Confident	92.2	Very high	70 Å²	70	50.7 Å²	50.7	43%	0.429	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-13.6	179.1	50.9	0	0	0	0	113.5	L315 I557 L558	L315-T560 HydrophobicContact CD1-CG2 3.72Å; I557-T560 PolarHBondContact O-OG1 3.34Å; L558-T560 PolarHBondContact O-N 2.89Å
561	H	88.1	Confident	92	Very high	89 Å²	89	54.8 Å²	54.8	41%	0.412	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	7.1	174	-57.5	79.7	0	0	0	112.1	Y312 I557 L558 E559 L563	Y312-H561 AromaticContact CD1-CE1 3.6Å; Y312-H561 AromaticContact CE1-CE1 3.41Å; Y312-H561 VanDerWaalsContact CE1-CE1 3.41Å; Y312-H561 WeakPolarHBondContact CE1-CE1 3.41Å; Y312-H561 AromaticContact CE1-NE2 3.94Å; I557-H561 PolarHBondContact O-ND1 3.17Å; L558-H561 CarbonylContact O-C 3.57Å; L558-H561 PolarHBondContact O-N 3.23Å; E559-H561 PolarHBondContact O-N 2.74Å; E559-H561 VanDerWaalsContact O-N 3.15Å; H561-L563 HydrophobicContact CB-CD1 4.12Å; H561-L563 HydrophobicContact CB-CG 4.11Å; H561-L563 PolarHBondContact O-N 3.33Å
562	N	88.9	Confident	91.9	Very high	153 Å²	153	54.1 Å²	54.1	82%	0.818	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	24.7	-172.7	-50	-86.2	0	0	0	114.1	L558 E559	L558-N562 PolarHBondContact O-N 3.4Å; E559-N562 PolarHBondContact O-N 3.26Å
563	L	89.3	Confident	91.8	Very high	53 Å²	53	53.6 Å²	53.6	28%	0.277	29%	0.294	S	S	.	.			trans	-87.5	156.1	175.9	-62.9	174.3	0	0	0	111.3	E281 L558 H561 K565	E281-L563 HydrophobicContact CG-CD1 4.14Å; L558-L563 HydrophobicContact CB-CB 3.97Å; L558-L563 HydrophobicContact CD2-CB 3.91Å; L558-L563 HydrophobicContact CD2-CD1 3.68Å; L558-L563 HydrophobicContact CD2-CG 4.46Å; L558-L563 WeakPolarHBondContact O-CB 3.16Å; L558-L563 PolarHBondContact O-N 3.24Å; H561-L563 HydrophobicContact CB-CD1 4.12Å; H561-L563 HydrophobicContact CB-CG 4.11Å; H561-L563 PolarHBondContact O-N 3.33Å; L563-K565 PolarHBondContact O-N 3.07Å
564	P	87.8	Confident	91.6	Very high	79 Å²	79	55.4 Å²	55.4	51%	0.513	31%	0.313	S	S	.	.			trans	-60.9	132.1	-175.8	-25.7	35.6	0	0	0	114.1	Q566	P564-Q566 WeakPolarHBondContact CB-O 3.42Å; P564-Q566 PolarHBondContact O-N 3.36Å
565	K	89.9	Confident	91.5	Very high	115 Å²	115	60.9 Å²	60.9	50%	0.5	34%	0.338	S	S	.	.	S	Bend	trans	-54.4	-39.5	176.3	-62.6	-174.1	177.2	-110.6	0	112.7	H261 S555 E559 L563	H261-K565 PolarHBondContact NE2-O 2.91Å; S555-K565 WeakPolarHBondContact CB-O 3.46Å; S555-K565 PolarHBondContact OG-O 3.14Å; E559-K565 HydrophobicContact CG-CD 4.38Å; E559-K565 HydrophobicContact CG-CG 3.68Å; E559-K565 VanDerWaalsContact OE1-CE 3.31Å; E559-K565 WeakPolarHBondContact OE1-CE 2.99Å; E559-K565 WeakPolarHBondContact OE1-CG 3.46Å; E559-K565 IonicContact OE1-NZ 3.42Å; E559-K565 PolarHBondContact OE1-NZ 3.48Å; E559-K565 WeakPolarHBondContact OE2-CE 3.49Å; E559-K565 IonicContact OE2-NZ 3.62Å; E559-K565 PolarHBondContact OE2-NZ 2.83Å; L563-K565 PolarHBondContact O-N 3.07Å
566	Q	90.1	Very high	91.4	Very high	116 Å²	116	62.1 Å²	62.1	54%	0.542	35%	0.35	S	S	.	.	S	Bend	trans	-129.6	148.9	-178.8	-68.3	178.8	-17.7	0	0	109.2	P564	P564-Q566 WeakPolarHBondContact CB-O 3.42Å; P564-Q566 PolarHBondContact O-N 3.36Å
567	P	91.8	Very high	91.2	Very high	4 Å²	4	64.1 Å²	64.1	3%	0.026	37%	0.367	C	S	.	.			trans	-72.9	144.3	174.6	30	-32.1	0	0	0	110.3	Y258 H261 L569 A570 Q571	Y258-P567 HydrophobicContact CD2-CB 4.06Å; Y258-P567 HydrophobicContact CD2-CG 3.51Å; Y258-P567 HydrophobicContact CE2-CG 4.14Å; Y258-P567 HydrophobicContact CG-CG 4.39Å; H261-P567 HydrophobicContact CB-CB 4.07Å; H261-P567 HydrophobicContact CB-CG 4.41Å; P567-L569 PolarHBondContact O-N 2.78Å; P567-A570 HydrophobicContact CG-CB 3.92Å; P567-A570 PolarHBondContact O-N 2.98Å; P567-Q571 PolarHBondContact O-N 2.84Å
568	P	92.2	Very high	91.1	Very high	55 Å²	55	68.5 Å²	68.5	36%	0.357	39%	0.387	S	S	.	.	H	α-helix	trans	-56.8	-28.1	-177.8	-27.5	35.9	0	0	0	114.4	M254 S257 Q571 A572	M254-P568 HydrophobicContact CG-CB 4.27Å; S257-P568 WeakPolarHBondContact OG-CD 3.3Å; P568-Q571 PolarHBondContact O-N 2.85Å; P568-A572 WeakPolarHBondContact O-CB 3.44Å; P568-A572 PolarHBondContact O-N 2.89Å
569	L	91.9	Very high	91.2	Very high	54 Å²	54	71.4 Å²	71.4	28%	0.283	41%	0.407	S	S	.	.	H	α-helix	trans	-61.9	-49	175.3	-174.7	59.7	0	0	0	112.4	M254 V255 Y258 P567 Q571 A572 V573	M254-L569 HydrophobicContact CB-CB 4.27Å; M254-L569 HydrophobicContact CE-CB 4.48Å; M254-L569 HydrophobicContact CE-CD1 4.17Å; V255-L569 HydrophobicContact CG2-CD2 4.25Å; Y258-L569 HydrophobicContact CD2-CB 4.45Å; Y258-L569 HydrophobicContact CD2-CD2 4.28Å; Y258-L569 HydrophobicContact CG-CD2 4.17Å; P567-L569 PolarHBondContact O-N 2.78Å; L569-Q571 VanDerWaalsContact C-N 3.31Å; L569-Q571 PolarHBondContact O-N 2.83Å; L569-A572 PolarHBondContact O-N 3.09Å; L569-V573 WeakPolarHBondContact O-CG2 3.44Å; L569-V573 PolarHBondContact O-N 2.8Å; L569-V573 VanDerWaalsContact O-N 3.07Å
570	A	90.4	Very high	91.3	Very high	43 Å²	43	69.7 Å²	69.7	36%	0.355	40%	0.4	S	S	.	.	H	α-helix	trans	-66.8	-35.5	177.7	0	0	0	0	0	111.6	P567 G574	P567-A570 HydrophobicContact CG-CB 3.92Å; P567-A570 PolarHBondContact O-N 2.98Å; A570-G574 PolarHBondContact O-N 2.82Å
571	Q	92.5	Very high	91.3	Very high	94 Å²	94	68.2 Å²	68.2	44%	0.439	40%	0.395	S	S	.	.	H	α-helix	trans	-64.5	-42.9	174	-175.9	176.9	-18.4	0	0	111.8	P567 P568 L569 G574 Q575	P567-Q571 PolarHBondContact O-N 2.84Å; P568-Q571 PolarHBondContact O-N 2.85Å; L569-Q571 VanDerWaalsContact C-N 3.31Å; L569-Q571 PolarHBondContact O-N 2.83Å; Q571-G574 PolarHBondContact O-N 2.97Å; Q571-Q575 HydrophobicContact CG-CG 4.36Å; Q571-Q575 VanDerWaalsContact O-CB 3.32Å; Q571-Q575 WeakPolarHBondContact O-CB 3.43Å; Q571-Q575 VanDerWaalsContact O-CG 3.23Å; Q571-Q575 WeakPolarHBondContact O-CG 3.01Å; Q571-Q575 PolarHBondContact O-N 3.43Å
572	A	91.9	Very high	91.5	Very high	37 Å²	37	68.1 Å²	68.1	31%	0.306	40%	0.397	S	S	.	.	H	α-helix	trans	-64.3	-44.4	178.2	0	0	0	0	0	112.2	M254 P568 L569 Q575 A576	M254-A572 HydrophobicContact CE-CB 3.75Å; P568-A572 WeakPolarHBondContact O-CB 3.44Å; P568-A572 PolarHBondContact O-N 2.89Å; L569-A572 PolarHBondContact O-N 3.09Å; A572-Q575 PolarHBondContact O-N 3.31Å; A572-A576 PolarHBondContact O-N 3.38Å
573	V	91.7	Very high	91.7	Very high	55 Å²	55	63.1 Å²	63.1	33%	0.333	37%	0.369	S	S	.	.	H	α-helix	trans	-59.2	-48.2	174.3	169.9	0	0	0	0	111	L569 Q575 A576 A577 V596 L600	L569-V573 WeakPolarHBondContact O-CG2 3.44Å; L569-V573 PolarHBondContact O-N 2.8Å; L569-V573 VanDerWaalsContact O-N 3.07Å; V573-Q575 VanDerWaalsContact C-N 3.34Å; V573-Q575 PolarHBondContact O-N 3.26Å; V573-A576 PolarHBondContact O-N 3.5Å; V573-A577 PolarHBondContact O-N 3.29Å; V573-V596 HydrophobicContact CG1-CG1 4.02Å; V573-L600 HydrophobicContact CG1-CD1 4.45Å
574	G	92	Very high	91.7	Very high	41 Å²	41	61.8 Å²	61.8	42%	0.423	37%	0.365	S	S	.	.	H	α-helix	trans	-63.8	-35.9	176.6	0	0	0	0	0	113.6	A570 Q571 Q578	A570-G574 PolarHBondContact O-N 2.82Å; Q571-G574 PolarHBondContact O-N 2.97Å; G574-Q578 VanDerWaalsContact O-CB 3.29Å; G574-Q578 WeakPolarHBondContact O-CB 3.44Å; G574-Q578 PolarHBondContact O-N 2.81Å
575	Q	93.9	Very high	91.8	Very high	116 Å²	116	65 Å²	65	54%	0.542	37%	0.367	S	S	.	.	H	α-helix	trans	-68.6	-38.3	174.6	-77.5	174.8	-22.8	0	0	112.2	Q571 A572 V573 Q578 C579	Q571-Q575 HydrophobicContact CG-CG 4.36Å; Q571-Q575 VanDerWaalsContact O-CB 3.32Å; Q571-Q575 WeakPolarHBondContact O-CB 3.43Å; Q571-Q575 VanDerWaalsContact O-CG 3.23Å; Q571-Q575 WeakPolarHBondContact O-CG 3.01Å; Q571-Q575 PolarHBondContact O-N 3.43Å; A572-Q575 PolarHBondContact O-N 3.31Å; V573-Q575 VanDerWaalsContact C-N 3.34Å; V573-Q575 PolarHBondContact O-N 3.26Å; Q575-Q578 PolarHBondContact O-N 2.93Å; Q575-C579 WeakPolarHBondContact O-CB 3.47Å; Q575-C579 PolarHBondContact O-N 3.35Å
576	A	92.8	Very high	91.9	Very high	44 Å²	44	64 Å²	64	36%	0.364	37%	0.371	S	S	.	.	H	α-helix	trans	-63.9	-47.5	174.8	0	0	0	0	0	111.6	A572 V573 Q578 C579 L580 V596	A572-A576 PolarHBondContact O-N 3.38Å; V573-A576 PolarHBondContact O-N 3.5Å; A576-Q578 VanDerWaalsContact C-N 3.34Å; A576-Q578 PolarHBondContact O-N 3.41Å; A576-C579 VanDerWaalsContact O-CB 3.28Å; A576-C579 WeakPolarHBondContact O-CB 3.47Å; A576-C579 PolarHBondContact O-N 2.98Å; A576-C579 VanDerWaalsContact O-N 3.09Å; A576-L580 PolarHBondContact O-N 3.04Å; A576-L580 VanDerWaalsContact O-N 3.12Å; A576-V596 HydrophobicContact CB-CG2 3.84Å
577	A	92.1	Very high	91.8	Very high	48 Å²	48	59.7 Å²	59.7	40%	0.397	36%	0.358	S	S	.	.	H	α-helix	trans	-61.7	-41.8	176.1	0	0	0	0	0	111.9	V573 C579 L580 A581 V596	V573-A577 PolarHBondContact O-N 3.29Å; A577-C579 VanDerWaalsContact C-N 3.3Å; A577-C579 PolarHBondContact O-N 3.29Å; A577-L580 PolarHBondContact O-N 2.86Å; A577-A581 PolarHBondContact O-N 3.2Å; A577-V596 HydrophobicContact CB-CG2 4.17Å
578	Q	92.9	Very high	91.8	Very high	93 Å²	93	63.3 Å²	63.3	44%	0.435	38%	0.376	S	S	.	.	H	α-helix	trans	-68.3	-28	175	-174.4	55.4	87.7	0	0	112.6	G574 Q575 A576 A581 I582	G574-Q578 VanDerWaalsContact O-CB 3.29Å; G574-Q578 WeakPolarHBondContact O-CB 3.44Å; G574-Q578 PolarHBondContact O-N 2.81Å; Q575-Q578 PolarHBondContact O-N 2.93Å; A576-Q578 VanDerWaalsContact C-N 3.34Å; A576-Q578 PolarHBondContact O-N 3.41Å; Q578-A581 PolarHBondContact O-N 3.41Å; Q578-I582 HydrophobicContact CG-CD1 4.23Å; Q578-I582 VanDerWaalsContact O-CG1 3.3Å; Q578-I582 WeakPolarHBondContact O-CG1 3.36Å; Q578-I582 PolarHBondContact O-N 2.57Å
579	C	94.1	Very high	91.8	Very high	66 Å²	66	60.7 Å²	60.7	45%	0.446	36%	0.36	S	S	.	.	H	α-helix	trans	-65.6	-47.5	173.7	-166.2	0	0	0	0	111.1	Q575 A576 A577 A581 I582 M583	Q575-C579 WeakPolarHBondContact O-CB 3.47Å; Q575-C579 PolarHBondContact O-N 3.35Å; A576-C579 VanDerWaalsContact O-CB 3.28Å; A576-C579 WeakPolarHBondContact O-CB 3.47Å; A576-C579 PolarHBondContact O-N 2.98Å; A576-C579 VanDerWaalsContact O-N 3.09Å; A577-C579 VanDerWaalsContact C-N 3.3Å; A577-C579 PolarHBondContact O-N 3.29Å; C579-A581 VanDerWaalsContact C-N 3.31Å; C579-A581 PolarHBondContact O-N 3.35Å; C579-I582 CarbonylContact O-C 3.54Å; C579-I582 WeakPolarHBondContact O-CA 3.41Å; C579-I582 WeakPolarHBondContact O-CB 3.31Å; C579-I582 PolarHBondContact O-N 3.26Å; C579-M583 WeakPolarHBondContact O-CG 3.34Å; C579-M583 PolarHBondContact O-N 2.7Å
580	L	92.3	Very high	91.9	Very high	38 Å²	38	59.6 Å²	59.6	20%	0.199	36%	0.356	C	S	.	.	H	α-helix	trans	-57.1	-43.3	174.3	-66.9	168.5	0	0	0	111.8	A576 A577 I582 M583 A584 C591 A594 V596	A576-L580 PolarHBondContact O-N 3.04Å; A576-L580 VanDerWaalsContact O-N 3.12Å; A577-L580 PolarHBondContact O-N 2.86Å; L580-I582 VanDerWaalsContact C-N 3.29Å; L580-I582 PolarHBondContact O-N 2.62Å; L580-M583 HydrophobicContact CD2-SD 4.2Å; L580-M583 WeakPolarHBondContact O-CB 3.43Å; L580-M583 PolarHBondContact O-N 2.78Å; L580-A584 PolarHBondContact O-N 2.89Å; L580-C591 HydrophobicContact CB-CB 4.43Å; L580-C591 HydrophobicContact CD2-CB 3.92Å; L580-A594 WeakPolarHBondContact CD1-O 3.4Å; L580-A594 HydrophobicContact CD2-CB 4.1Å; L580-V596 HydrophobicContact CD1-CG2 3.91Å
581	A	90.5	Very high	92	Very high	39 Å²	39	57.9 Å²	57.9	32%	0.322	34%	0.342	S	S	.	.	H	α-helix	trans	-66.8	-26.1	175.3	0	0	0	0	0	113.7	A577 Q578 C579 R585	A577-A581 PolarHBondContact O-N 3.2Å; Q578-A581 PolarHBondContact O-N 3.41Å; C579-A581 VanDerWaalsContact C-N 3.31Å; C579-A581 PolarHBondContact O-N 3.35Å; A581-R585 WeakPolarHBondContact O-CG 3.44Å; A581-R585 PolarHBondContact O-N 2.74Å
582	I	93.2	Very high	92.1	Very high	88 Å²	88	54 Å²	54	45%	0.451	33%	0.325	S	S	.	.	H	α-helix	trans	-75.7	-44.1	171	-71.4	163	0	0	0	110.4	Q578 C579 L580 A584 R585 T586	Q578-I582 HydrophobicContact CG-CD1 4.23Å; Q578-I582 VanDerWaalsContact O-CG1 3.3Å; Q578-I582 WeakPolarHBondContact O-CG1 3.36Å; Q578-I582 PolarHBondContact O-N 2.57Å; C579-I582 CarbonylContact O-C 3.54Å; C579-I582 WeakPolarHBondContact O-CA 3.41Å; C579-I582 WeakPolarHBondContact O-CB 3.31Å; C579-I582 PolarHBondContact O-N 3.26Å; L580-I582 VanDerWaalsContact C-N 3.29Å; L580-I582 PolarHBondContact O-N 2.62Å; I582-A584 VanDerWaalsContact C-N 3.28Å; I582-A584 PolarHBondContact O-N 3.41Å; I582-R585 CarbonylContact O-C 3.45Å; I582-R585 PolarHBondContact O-N 3.49Å; I582-T586 HydrophobicContact CG2-CG2 4.2Å; I582-T586 WeakPolarHBondContact O-CG2 3.31Å; I582-T586 PolarHBondContact O-N 3.03Å; I582-T586 PolarHBondContact O-OG1 3.06Å; I582-T586 VanDerWaalsContact O-OG1 3.13Å
583	M	92.7	Very high	92.2	Very high	47 Å²	47	52.9 Å²	52.9	23%	0.232	31%	0.314	C	S	.	.	H	α-helix	trans	-55	-43.5	174.9	-69.9	169.5	69.6	0	0	111.6	C579 L580 R585 T586 G587 I588 C591	C579-M583 WeakPolarHBondContact O-CG 3.34Å; C579-M583 PolarHBondContact O-N 2.7Å; L580-M583 HydrophobicContact CD2-SD 4.2Å; L580-M583 WeakPolarHBondContact O-CB 3.43Å; L580-M583 PolarHBondContact O-N 2.78Å; M583-R585 PolarHBondContact O-N 3.22Å; M583-T586 WeakPolarHBondContact CA-OG1 3.49Å; M583-T586 PolarHBondContact O-N 3.36Å; M583-T586 PolarHBondContact O-OG1 3.03Å; M583-G587 PolarHBondContact O-N 2.81Å; M583-I588 HydrophobicContact CB-CB 4.09Å; M583-I588 HydrophobicContact CB-CD1 4.38Å; M583-I588 HydrophobicContact CE-CG2 3.87Å; M583-I588 HydrophobicContact CG-CD1 4.21Å; M583-I588 PolarHBondContact O-N 3.13Å; M583-C591 HydrophobicContact CB-CB 3.76Å; M583-C591 HydrophobicContact CE-CB 4.19Å; M583-C591 HydrophobicContact SD-CB 4.44Å
584	A	90.2	Very high	92.1	Very high	25 Å²	25	51.3 Å²	51.3	21%	0.207	31%	0.307	C	S	.	.	H	α-helix	trans	-56.9	-48.9	172.9	0	0	0	0	0	112.4	A93 L580 I582 T586 G587 C591	A93-A584 HydrophobicContact CB-CB 3.99Å; L580-A584 PolarHBondContact O-N 2.89Å; I582-A584 VanDerWaalsContact C-N 3.28Å; I582-A584 PolarHBondContact O-N 3.41Å; A584-T586 PolarHBondContact O-N 2.9Å; A584-G587 PolarHBondContact O-N 2.71Å; A584-C591 VanDerWaalsContact CA-SG 3.51Å; A584-C591 PolarHBondContact N-SG 3.09Å; A584-C591 VanDerWaalsContact N-SG 3.38Å
585	R	89.3	Confident	91.9	Very high	146 Å²	146	51.2 Å²	51.2	55%	0.551	30%	0.299	S	S	*	.	H	α-helix	trans	-71.4	-25.3	-179.1	-70.7	173.4	-178.9	154.5	3	113.6	E44 A581 I582 M583	E44-R585 IonicContact OE1-CZ 3.16Å; E44-R585 IonicContact OE1-NH2 3.23Å; E44-R585 PolarHBondContact OE1-NH2 3.21Å; E44-R585 IonicContact OE2-CZ 3.52Å; E44-R585 IonicContact OE2-NE 3.33Å; E44-R585 PolarHBondContact OE2-NE 3.48Å; E44-R585 IonicContact OE2-NH2 3.57Å; E44-R585 PolarHBondContact OE2-NH2 2.69Å; A581-R585 WeakPolarHBondContact O-CG 3.44Å; A581-R585 PolarHBondContact O-N 2.74Å; I582-R585 CarbonylContact O-C 3.45Å; I582-R585 PolarHBondContact O-N 3.49Å; M583-R585 PolarHBondContact O-N 3.22Å
586	T	90.8	Very high	91.6	Very high	94 Å²	94	46.9 Å²	46.9	58%	0.577	28%	0.281	S	S	*	.	H	α-helix	trans	-88.9	-4.2	176.2	56.5	0	0	0	0	113.9	I582 M583 A584	I582-T586 HydrophobicContact CG2-CG2 4.2Å; I582-T586 WeakPolarHBondContact O-CG2 3.31Å; I582-T586 PolarHBondContact O-N 3.03Å; I582-T586 PolarHBondContact O-OG1 3.06Å; I582-T586 VanDerWaalsContact O-OG1 3.13Å; M583-T586 WeakPolarHBondContact CA-OG1 3.49Å; M583-T586 PolarHBondContact O-N 3.36Å; M583-T586 PolarHBondContact O-OG1 3.03Å; A584-T586 PolarHBondContact O-N 2.9Å
587	G	89.1	Confident	91.3	Very high	27 Å²	27	49.4 Å²	49.4	28%	0.278	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.7	9.8	173.7	0	0	0	0	0	115.6	M583 A584 G589	M583-G587 PolarHBondContact O-N 2.81Å; A584-G587 PolarHBondContact O-N 2.71Å; G587-G589 PolarHBondContact O-N 3.11Å
588	I	92.4	Very high	90.9	Very high	79 Å²	79	52.2 Å²	52.2	41%	0.405	30%	0.297	S	S	.	.			trans	-87.3	96.6	-175.4	-55.9	173	0	0	0	109.5	M583 S590 C591	M583-I588 HydrophobicContact CB-CB 4.09Å; M583-I588 HydrophobicContact CB-CD1 4.38Å; M583-I588 HydrophobicContact CE-CG2 3.87Å; M583-I588 HydrophobicContact CG-CD1 4.21Å; M583-I588 PolarHBondContact O-N 3.13Å; I588-S590 VanDerWaalsContact C-N 3.25Å; I588-S590 WeakPolarHBondContact CG2-OG 3.35Å; I588-S590 PolarHBondContact O-N 3Å; I588-S590 VanDerWaalsContact O-N 3.15Å; I588-C591 PolarHBondContact O-N 2.92Å; I588-C591 PolarHBondContact O-SG 3.3Å
589	G	92.4	Very high	90	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.01	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-65	-17.5	-172.3	0	0	0	0	0	116.3	A92 G95 L169 G587 C591 A592	A92-G589 WeakPolarHBondContact O-CA 3.44Å; G95-G589 VanDerWaalsContact CA-O 3.28Å; G95-G589 WeakPolarHBondContact CA-O 3.43Å; L169-G589 VanDerWaalsContact O-CA 3.31Å; L169-G589 WeakPolarHBondContact O-CA 3.34Å; L169-G589 PolarHBondContact O-N 2.79Å; G587-G589 PolarHBondContact O-N 3.11Å; G589-C591 PolarHBondContact O-N 3.33Å; G589-A592 WeakPolarHBondContact O-CB 3.43Å; G589-A592 PolarHBondContact O-N 3.48Å; G589-A592 VanDerWaalsContact O-N 3.16Å
590	S	93.3	Very high	89.1	Confident	30 Å²	30	54.4 Å²	54.4	21%	0.21	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-63.3	-25	179.9	53.9	0	0	0	0	113.8	I588 A592 F593	I588-S590 VanDerWaalsContact C-N 3.25Å; I588-S590 WeakPolarHBondContact CG2-OG 3.35Å; I588-S590 PolarHBondContact O-N 3Å; I588-S590 VanDerWaalsContact O-N 3.15Å; S590-A592 PolarHBondContact O-N 3.39Å; S590-A592 VanDerWaalsContact O-N 3.15Å; S590-F593 PolarHBondContact O-N 2.99Å; S590-F593 VanDerWaalsContact O-N 3.15Å
591	C	92.3	Very high	87	Confident	7 Å²	7	63.4 Å²	63.4	5%	0.047	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-62.4	-18.8	175.9	67.5	0	0	0	0	113.9	L580 M583 A584 I588 G589 F593	L580-C591 HydrophobicContact CB-CB 4.43Å; L580-C591 HydrophobicContact CD2-CB 3.92Å; M583-C591 HydrophobicContact CB-CB 3.76Å; M583-C591 HydrophobicContact CE-CB 4.19Å; M583-C591 HydrophobicContact SD-CB 4.44Å; A584-C591 VanDerWaalsContact CA-SG 3.51Å; A584-C591 PolarHBondContact N-SG 3.09Å; A584-C591 VanDerWaalsContact N-SG 3.38Å; I588-C591 PolarHBondContact O-N 2.92Å; I588-C591 PolarHBondContact O-SG 3.3Å; G589-C591 PolarHBondContact O-N 3.33Å; C591-F593 PolarHBondContact O-N 2.96Å
592	A	94.3	Very high	86.8	Confident	12 Å²	12	64.6 Å²	64.6	10%	0.099	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-69.4	-19.7	177.1	0	0	0	0	0	113.4	A39 A93 G95 G589 S590	A39-A592 HydrophobicContact CB-CB 4.37Å; A93-A592 VanDerWaalsContact O-CB 3.23Å; A93-A592 WeakPolarHBondContact O-CB 3.47Å; G95-A592 VanDerWaalsContact N-CB 3.33Å; G589-A592 WeakPolarHBondContact O-CB 3.43Å; G589-A592 PolarHBondContact O-N 3.48Å; G589-A592 VanDerWaalsContact O-N 3.16Å; S590-A592 PolarHBondContact O-N 3.39Å; S590-A592 VanDerWaalsContact O-N 3.15Å
593	F	93.9	Very high	86.5	Confident	14 Å²	14	63.4 Å²	63.4	6%	0.061	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-118.2	29.5	-178	-60.4	-25.1	0	0	0	112.3	V96 I170 M224 W227 R228 I231 S590 C591	V96-F593 HydrophobicContact CB-CZ 4.23Å; V96-F593 HydrophobicContact CG2-CE2 3.97Å; V96-F593 HydrophobicContact CG2-CZ 4.01Å; I170-F593 HydrophobicContact CD1-CD2 3.56Å; I170-F593 HydrophobicContact CD1-CE2 3.61Å; M224-F593 HydrophobicContact CB-CZ 4.38Å; M224-F593 HydrophobicContact CG-CZ 4.16Å; W227-F593 HydrophobicContact CB-CD2 3.94Å; W227-F593 HydrophobicContact CB-CE2 3.58Å; R228-F593 HydrophobicContact CB-CB 4.48Å; R228-F593 HydrophobicContact CB-CG 4.48Å; R228-F593 HydrophobicContact CG-CB 3.81Å; R228-F593 HydrophobicContact CG-CD1 3.47Å; R228-F593 VanDerWaalsContact CG-CD1 3.47Å; R228-F593 HydrophobicContact CG-CD2 4.04Å; R228-F593 HydrophobicContact CG-CE1 4.07Å; R228-F593 HydrophobicContact CG-CG 3.5Å; R228-F593 VanDerWaalsContact CG-CG 3.5Å; I231-F593 HydrophobicContact CB-CB 4.32Å; I231-F593 HydrophobicContact CG1-CB 4.43Å; I231-F593 HydrophobicContact CG2-CB 4.35Å; S590-F593 PolarHBondContact O-N 2.99Å; S590-F593 VanDerWaalsContact O-N 3.15Å; C591-F593 PolarHBondContact O-N 2.96Å
594	A	90.6	Very high	86.2	Confident	22 Å²	22	64.3 Å²	64.3	18%	0.182	34%	0.34	C	S	.	.			trans	-141.5	122.1	168.9	0	0	0	0	0	109.1	I235 L580	I235-A594 HydrophobicContact CD1-CB 3.78Å; L580-A594 WeakPolarHBondContact CD1-O 3.4Å; L580-A594 HydrophobicContact CD2-CB 4.1Å
595	S	87.9	Confident	85.9	Confident	39 Å²	39	66.6 Å²	66.6	27%	0.273	35%	0.348	S	S	.	.			trans	-107.2	157.7	165.4	-165.8	0	0	0	0	110.6	D597 D598 Y599	S595-D597 PolarHBondContact OG-N 2.84Å; S595-D598 VanDerWaalsContact CB-CG 3.48Å; S595-D598 WeakPolarHBondContact CB-OD2 2.99Å; S595-D598 PolarHBondContact N-OD2 3.08Å; S595-Y599 WeakPolarHBondContact O-CD2 2.93Å; S595-Y599 WeakPolarHBondContact O-CE2 3.22Å
596	V	87.7	Confident	85.7	Confident	25 Å²	25	61.6 Å²	61.6	15%	0.152	34%	0.336	C	S	.	.	S	Bend	trans	-78.4	-33.3	164.2	-178.2	0	0	0	0	110	V573 A576 A577 L580 D598 Y599 L600	V573-V596 HydrophobicContact CG1-CG1 4.02Å; A576-V596 HydrophobicContact CB-CG2 3.84Å; A577-V596 HydrophobicContact CB-CG2 4.17Å; L580-V596 HydrophobicContact CD1-CG2 3.91Å; V596-D598 VanDerWaalsContact C-N 3.25Å; V596-D598 PolarHBondContact O-N 2.97Å; V596-Y599 PolarHBondContact O-N 3.45Å; V596-Y599 VanDerWaalsContact O-N 3.1Å; V596-L600 HydrophobicContact CG1-CD1 4.46Å
597	D	85.8	Confident	85.4	Confident	98 Å²	98	59.5 Å²	59.5	52%	0.524	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-66.6	-26.8	-176.8	-55.9	-38.5	0	0	0	112.6	S595 Y599 L600	S595-D597 PolarHBondContact OG-N 2.84Å; D597-Y599 PolarHBondContact O-N 2.82Å; D597-Y599 VanDerWaalsContact O-N 3.08Å; D597-L600 PolarHBondContact O-N 3.26Å
598	D	82.3	Confident	85.1	Confident	107 Å²	107	61.8 Å²	61.8	57%	0.572	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-61.4	-15.2	174.3	-62.2	-26.7	0	0	0	112.8	S595 V596	S595-D598 VanDerWaalsContact CB-CG 3.48Å; S595-D598 WeakPolarHBondContact CB-OD2 2.99Å; S595-D598 PolarHBondContact N-OD2 3.08Å; V596-D598 VanDerWaalsContact C-N 3.25Å; V596-D598 PolarHBondContact O-N 2.97Å
599	Y	75.4	Confident	84.5	Confident	107 Å²	107	60.5 Å²	60.5	42%	0.42	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-111.6	9.1	177.9	-57.5	-100.2	0	0	0	112.8	Q232 I235 S595 V596 D597	Q232-Y599 VanDerWaalsContact CD-OH 3.29Å; Q232-Y599 PolarHBondContact NE2-OH 2.68Å; Q232-Y599 PolarHBondContact OE1-OH 2.87Å; I235-Y599 WeakPolarHBondContact CG2-OH 3.21Å; S595-Y599 WeakPolarHBondContact O-CD2 2.93Å; S595-Y599 WeakPolarHBondContact O-CE2 3.22Å; V596-Y599 PolarHBondContact O-N 3.45Å; V596-Y599 VanDerWaalsContact O-N 3.1Å; D597-Y599 PolarHBondContact O-N 2.82Å; D597-Y599 VanDerWaalsContact O-N 3.08Å
600	L	74	Confident	83.9	Confident	97 Å²	97	65.4 Å²	65.4	51%	0.508	34%	0.342	S	S	.	.			trans	-109.5	13.4	178.7	-60.7	-179.4	0	0	0	112.8	V573 V596 D597	V573-L600 HydrophobicContact CG1-CD1 4.45Å; V596-L600 HydrophobicContact CG1-CD1 4.46Å; D597-L600 PolarHBondContact O-N 3.26Å
601	H	49.2	Very low	83	Confident	227 Å²	227	68.6 Å²	68.6	100%	1.051	35%	0.354	S	S	*	.			trans	-130.6	0	-175.3	-68.6	-22.3	0	0	0	111.6

Retrieved 601 of 601 residues in 358.6 ms (Link to these results)

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