A0A077Z6A7_TRITR Loading...

DNA replication licensing factor MCM6

Acts as component of the MCM2-7 complex (MCM complex) which is the replicative helicase essential for 'once per cell cycle' DNA replication initiation and elongation in eukaryotic cells. The active ATPase sites in the MCM2-7 ring are formed through the interaction surfaces of two neighboring subunits such that a critical structure of a conserved arginine finger motif is provided in trans relative to the ATP-binding site of the Walker A box of the adjacent subunit. The six ATPase active sites, however, are likely to contribute differentially to the complex helicase activity.

AlphaFold DB , UniProt , Accession A0A077Z6A7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 770 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.5	Very low	43.4	Very low	88 Å²	88	104.6 Å²	104.6	43%	0.433	52%	0.518	S	S	.	.				0	-70.6	0	-72.7	-146.7	-129.5	0	0	111	T3 S4 F5 V19	M1-T3 VanDerWaalsContact C-N 3.31Å; M1-T3 PolarHBondContact O-N 2.93Å; M1-T3 VanDerWaalsContact O-N 3.09Å; M1-S4 PolarHBondContact O-N 3Å; M1-F5 HydrophobicContact CB-CE2 4.22Å; M1-F5 WeakPolarHBondContact O-CD2 3.15Å; M1-V19 HydrophobicContact CG-CG1 4.41Å
2	L	32.7	Very low	43.9	Very low	144 Å²	144	100 Å²	100	75%	0.754	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-28	-174	-76.9	154.9	0	0	0	117.4
3	T	38.2	Very low	44.5	Very low	110 Å²	110	98.8 Å²	98.8	68%	0.675	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-23	178.4	33.4	0	0	0	0	114.2	M1	M1-T3 VanDerWaalsContact C-N 3.31Å; M1-T3 PolarHBondContact O-N 2.93Å; M1-T3 VanDerWaalsContact O-N 3.09Å
4	S	44.6	Very low	45	Very low	53 Å²	53	95.9 Å²	95.9	37%	0.371	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-27.2	177.8	-53.5	0	0	0	0	112.3	M1 R6	M1-S4 PolarHBondContact O-N 3Å; S4-R6 VanDerWaalsContact C-N 3.3Å; S4-R6 PolarHBondContact O-N 3.05Å
5	F	46.3	Very low	45.8	Very low	27 Å²	27	94 Å²	94	12%	0.118	49%	0.491	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-18.4	-176.4	-78.3	-73.5	0	0	0	114.5	M1 K7 I11 I55	M1-F5 HydrophobicContact CB-CE2 4.22Å; M1-F5 WeakPolarHBondContact O-CD2 3.15Å; F5-K7 PolarHBondContact O-N 3.23Å; F5-I11 HydrophobicContact CD1-CD1 4.03Å; F5-I55 HydrophobicContact CE1-CG1 4Å
6	R	40.1	Very low	46.6	Very low	230 Å²	230	89.3 Å²	89.3	87%	0.868	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-0.4	-176.4	-78.6	-173	172.8	-177.8	-3	115.9	S4	S4-R6 VanDerWaalsContact C-N 3.3Å; S4-R6 PolarHBondContact O-N 3.05Å
7	K	49.1	Very low	47.6	Very low	164 Å²	164	85.4 Å²	85.4	71%	0.713	45%	0.448	S	S	*	.			trans	-119	60.8	176.5	-70.2	-177.4	177.7	-179.2	0	111.1	F5 Q9 A10 I11	F5-K7 PolarHBondContact O-N 3.23Å; K7-Q9 VanDerWaalsContact C-N 3.26Å; K7-Q9 PolarHBondContact O-N 3.11Å; K7-A10 HydrophobicContact CB-CB 4.27Å; K7-A10 WeakPolarHBondContact O-CB 3.42Å; K7-A10 PolarHBondContact O-N 2.98Å; K7-I11 PolarHBondContact O-N 3.21Å
8	M	44.7	Very low	48.5	Very low	88 Å²	88	84.6 Å²	84.6	43%	0.433	44%	0.444	S	S	.	.	H	α-helix	trans	-49.4	-40.6	180	-108.4	-156.7	-107.8	0	0	114.1	A10 I11 L12 E59 L62	M8-A10 PolarHBondContact O-N 3.34Å; M8-I11 PolarHBondContact O-N 3.5Å; M8-L12 PolarHBondContact O-N 3.15Å; M8-E59 HydrophobicContact CE-CG 4.15Å; M8-E59 WeakPolarHBondContact CE-OE1 3.48Å; M8-E59 WeakPolarHBondContact CE-OE2 3.28Å; M8-E59 WeakPolarHBondContact CG-OE1 3.45Å; M8-L62 HydrophobicContact SD-CD2 4.3Å
9	Q	44	Very low	49.2	Very low	180 Å²	180	81.6 Å²	81.6	84%	0.841	43%	0.43	S	S	*	.	H	α-helix	trans	-61.4	-29.1	178.8	-114.6	176.7	-8	0	0	113.6	K7 S13	K7-Q9 VanDerWaalsContact C-N 3.26Å; K7-Q9 PolarHBondContact O-N 3.11Å; Q9-S13 PolarHBondContact O-OG 3.37Å
10	A	48.8	Very low	49.6	Very low	46 Å²	46	84.8 Å²	84.8	38%	0.38	44%	0.436	S	S	.	.	H	α-helix	trans	-81.9	-25.7	176.4	0	0	0	0	0	112.4	K7 M8 S13 C14	K7-A10 HydrophobicContact CB-CB 4.27Å; K7-A10 WeakPolarHBondContact O-CB 3.42Å; K7-A10 PolarHBondContact O-N 2.98Å; M8-A10 PolarHBondContact O-N 3.34Å; A10-S13 PolarHBondContact O-OG 3.19Å; A10-C14 WeakPolarHBondContact O-CB 3.37Å; A10-C14 PolarHBondContact O-N 3.43Å; A10-C14 VanDerWaalsContact O-N 3.14Å
11	I	51.8	Low	50.1	Low	21 Å²	21	84 Å²	84	11%	0.108	43%	0.429	C	S	.	.	H	α-helix	trans	-74.4	-36.6	179.4	-61	172.6	0	0	0	110.5	F5 K7 M8 S13 L17	F5-I11 HydrophobicContact CD1-CD1 4.03Å; K7-I11 PolarHBondContact O-N 3.21Å; M8-I11 PolarHBondContact O-N 3.5Å; I11-S13 VanDerWaalsContact C-N 3.28Å; I11-S13 PolarHBondContact O-N 3.35Å; I11-L17 HydrophobicContact CB-CD1 4.47Å; I11-L17 HydrophobicContact CD1-CD1 4.35Å; I11-L17 HydrophobicContact CG1-CD1 3.95Å; I11-L17 HydrophobicContact CG2-CD1 3.94Å
12	L	49.6	Very low	50.9	Low	49 Å²	49	83.7 Å²	83.7	26%	0.257	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-23.8	177	-72.2	166	0	0	0	113.3	M8 L70 K73	M8-L12 PolarHBondContact O-N 3.15Å; L12-L70 HydrophobicContact CD2-CD1 4.3Å; L12-K73 PolarHBondContact O-NZ 3.18Å
13	S	51.6	Low	51.6	Low	84 Å²	84	81.7 Å²	81.7	59%	0.587	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-27.3	-178.2	62.9	0	0	0	0	114.5	Q9 A10 I11	Q9-S13 PolarHBondContact O-OG 3.37Å; A10-S13 PolarHBondContact O-OG 3.19Å; I11-S13 VanDerWaalsContact C-N 3.28Å; I11-S13 PolarHBondContact O-N 3.35Å
14	C	51.5	Low	51.8	Low	58 Å²	58	87.3 Å²	87.3	39%	0.392	43%	0.433	S	S	.	.			trans	-104.2	119.4	-174.2	-71.4	0	0	0	0	111.6	A10 C16	A10-C14 WeakPolarHBondContact O-CB 3.37Å; A10-C14 PolarHBondContact O-N 3.43Å; A10-C14 VanDerWaalsContact O-N 3.14Å; C14-C16 PolarHBondContact O-N 3.37Å
15	P	57.6	Low	51.7	Low	68 Å²	68	88.3 Å²	88.3	44%	0.442	43%	0.434	S	S	.	.	S	Bend	trans	-61.9	-22.3	172.9	-10.9	16.5	0	0	0	114.1	Y75 H76 E196	P15-Y75 WeakPolarHBondContact O-CA 3.37Å; P15-H76 PolarHBondContact O-N 3.1Å; P15-E196 WeakPolarHBondContact CB-OE1 3.42Å; P15-E196 WeakPolarHBondContact CD-OE1 2.94Å; P15-E196 WeakPolarHBondContact CG-OE1 3.48Å
16	C	59	Low	51.5	Low	18 Å²	18	92.9 Å²	92.9	12%	0.122	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	130.6	176.3	-68.4	0	0	0	0	113.2	C14 H76 E196	C14-C16 PolarHBondContact O-N 3.37Å; C16-H76 WeakPolarHBondContact CA-O 3.49Å; C16-E196 HydrophobicContact CB-CG 4.39Å; C16-E196 WeakPolarHBondContact CB-OE2 3.16Å; C16-E196 PolarHBondContact N-OE1 3.26Å; C16-E196 WeakPolarHBondContact SG-CB 3.46Å; C16-E196 WeakPolarHBondContact SG-CG 3.31Å; C16-E196 PolarHBondContact SG-OE1 3.08Å; C16-E196 PolarHBondContact SG-OE2 3.48Å; C16-E196 VanDerWaalsContact SG-OE2 3.38Å
17	L	63.5	Low	51.3	Low	23 Å²	23	87 Å²	87	12%	0.12	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	108	174.1	-160.2	88.7	0	0	0	109.8	I11 V19 L51 H76 S78	I11-L17 HydrophobicContact CB-CD1 4.47Å; I11-L17 HydrophobicContact CD1-CD1 4.35Å; I11-L17 HydrophobicContact CG1-CD1 3.95Å; I11-L17 HydrophobicContact CG2-CD1 3.94Å; L17-V19 HydrophobicContact CD2-CG2 3.99Å; L17-V19 PolarHBondContact O-N 2.94Å; L17-L51 HydrophobicContact CD2-CD1 4.47Å; L17-L51 HydrophobicContact CD2-CD2 4.33Å; L17-H76 PolarHBondContact N-O 3.45Å; L17-S78 PolarHBondContact O-N 2.86Å; L17-S78 PolarHBondContact O-OG 3.04Å
18	N	63	Low	51.1	Low	71 Å²	71	82.4 Å²	82.4	38%	0.38	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	111.6	173.5	-65.5	7.7	0	0	0	110.4	S78 E80	N18-S78 WeakPolarHBondContact CA-O 3.28Å; N18-S78 WeakPolarHBondContact CA-OG 3.27Å; N18-S78 PolarHBondContact N-OG 3.41Å; N18-S78 PolarHBondContact OD1-OG 3.22Å; N18-E80 PolarHBondContact ND2-OE1 3.19Å
19	V	63.1	Low	50.8	Low	29 Å²	29	84.4 Å²	84.4	18%	0.176	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	109.6	177.9	-177.4	0	0	0	0	109.4	M1 L17 F21 V77 S78 I79 E80	M1-V19 HydrophobicContact CG-CG1 4.41Å; L17-V19 HydrophobicContact CD2-CG2 3.99Å; L17-V19 PolarHBondContact O-N 2.94Å; V19-F21 PolarHBondContact O-N 2.95Å; V19-V77 HydrophobicContact CB-CG1 4.32Å; V19-V77 HydrophobicContact CG2-CG1 3.79Å; V19-S78 PolarHBondContact N-O 2.96Å; V19-I79 WeakPolarHBondContact O-CA 3.37Å; V19-E80 PolarHBondContact O-N 2.98Å
20	R	56.8	Low	50.5	Low	145 Å²	145	81.3 Å²	81.3	55%	0.547	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	125.1	173.8	-162.9	173.4	-170.3	179.2	4.2	111	L22 D81	R20-L22 PolarHBondContact O-N 3.12Å; R20-D81 IonicContact CZ-OD2 2.81Å; R20-D81 VanDerWaalsContact CZ-OD2 3.26Å; R20-D81 IonicContact NE-OD2 3.17Å; R20-D81 PolarHBondContact NE-OD2 2.92Å; R20-D81 IonicContact NH2-OD2 2.76Å; R20-D81 PolarHBondContact NH2-OD2 3.19Å
21	F	59.4	Low	49.9	Very low	69 Å²	69	90.2 Å²	90.2	30%	0.303	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-73.4	116.7	175.1	-168.8	-95.9	0	0	0	110.1	V19 I79 E80 Y82 P83	V19-F21 PolarHBondContact O-N 2.95Å; F21-I79 HydrophobicContact CB-CG2 4.25Å; F21-E80 WeakPolarHBondContact CB-O 2.92Å; F21-E80 PolarHBondContact N-O 2.81Å; F21-Y82 HydrophobicContact CD1-CD2 4.4Å; F21-Y82 HydrophobicContact CD2-CD2 4.25Å; F21-Y82 HydrophobicContact CE2-CD2 4.46Å; F21-Y82 HydrophobicContact CE2-CE2 4.3Å; F21-Y82 HydrophobicContact CG-CD2 4.22Å; F21-Y82 HydrophobicContact CZ-CE2 4.33Å; F21-P83 HydrophobicContact CD1-CG 4.25Å; F21-P83 HydrophobicContact CE1-CG 4.1Å
22	L	54.3	Low	49.2	Very low	81 Å²	81	91.8 Å²	91.8	42%	0.424	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-101.4	126.4	175.5	-72.6	173.3	0	0	0	110.2	R20 R24 L25	R20-L22 PolarHBondContact O-N 3.12Å; L22-R24 PolarHBondContact O-N 3.43Å; L22-L25 PolarHBondContact O-N 2.84Å
23	P	47.2	Very low	48.3	Very low	101 Å²	101	92.2 Å²	92.2	66%	0.656	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-61.6	-18.2	-177.4	17	-26.6	0	0	0	114.4	L25	P23-L25 PolarHBondContact O-N 2.75Å; P23-L25 VanDerWaalsContact O-N 3.15Å
24	R	40.7	Very low	47.7	Very low	229 Å²	229	94.5 Å²	94.5	86%	0.864	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-66	-10	177.3	-78.9	-172.5	174.6	179	-1.2	114.9	L22 H26 S27	L22-R24 PolarHBondContact O-N 3.43Å; R24-H26 PolarHBondContact O-N 2.86Å; R24-H26 VanDerWaalsContact O-N 3.12Å; R24-S27 PolarHBondContact O-N 2.85Å
25	L	43.9	Very low	46.9	Very low	73 Å²	73	97.7 Å²	97.7	38%	0.382	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-63.5	-13.6	176.3	-84.5	158.3	0	0	0	114.2	L22 P23 S27 V28	L22-L25 PolarHBondContact O-N 2.84Å; P23-L25 PolarHBondContact O-N 2.75Å; P23-L25 VanDerWaalsContact O-N 3.15Å; L25-S27 PolarHBondContact O-N 3.16Å; L25-S27 VanDerWaalsContact O-N 3.1Å; L25-V28 HydrophobicContact CD2-CG2 4.42Å; L25-V28 PolarHBondContact O-N 3.05Å; L25-V28 VanDerWaalsContact O-N 3.1Å
26	H	40.7	Very low	45.7	Very low	124 Å²	124	98.8 Å²	98.8	57%	0.574	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-58.8	-21.3	173.6	-113.9	-67.4	0	0	0	114	R24 K29	R24-H26 PolarHBondContact O-N 2.86Å; R24-H26 VanDerWaalsContact O-N 3.12Å; H26-K29 VanDerWaalsContact CE1-CE 3.42Å; H26-K29 WeakPolarHBondContact CE1-CE 3.48Å; H26-K29 PolarHBondContact CE1-NZ 2.75Å; H26-K29 VanDerWaalsContact CE1-NZ 3.29Å; H26-K29 WeakPolarHBondContact ND1-CE 3.3Å; H26-K29 PolarHBondContact ND1-NZ 3.31Å; H26-K29 WeakPolarHBondContact O-CD 3.45Å; H26-K29 VanDerWaalsContact O-CG 3.31Å; H26-K29 WeakPolarHBondContact O-CG 3.36Å
27	S	37.7	Very low	44.5	Very low	105 Å²	105	105 Å²	105	73%	0.734	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-84.3	-17.4	177.9	178.5	0	0	0	0	114.3	R24 L25 K29	R24-S27 PolarHBondContact O-N 2.85Å; L25-S27 PolarHBondContact O-N 3.16Å; L25-S27 VanDerWaalsContact O-N 3.1Å; S27-K29 PolarHBondContact O-N 2.94Å
28	V	43.1	Very low	43.3	Very low	69 Å²	69	107.2 Å²	107.2	42%	0.418	55%	0.554	S	S	.	*			trans	-92	23.1	-179.2	-164.1	0	0	0	0	110.7	L25 S30 T32	L25-V28 HydrophobicContact CD2-CG2 4.42Å; L25-V28 PolarHBondContact O-N 3.05Å; L25-V28 VanDerWaalsContact O-N 3.1Å; V28-S30 PolarHBondContact O-N 3.28Å; V28-S30 VanDerWaalsContact O-N 3.14Å; V28-T32 PolarHBondContact O-OG1 3.28Å
29	K	39	Very low	41.9	Very low	130 Å²	130	115.2 Å²	115.2	57%	0.565	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-15.6	-177.7	-90.1	179.8	165.8	-176.2	0	114.7	H26 S27 M35	H26-K29 VanDerWaalsContact CE1-CE 3.42Å; H26-K29 WeakPolarHBondContact CE1-CE 3.48Å; H26-K29 PolarHBondContact CE1-NZ 2.75Å; H26-K29 VanDerWaalsContact CE1-NZ 3.29Å; H26-K29 WeakPolarHBondContact ND1-CE 3.3Å; H26-K29 PolarHBondContact ND1-NZ 3.31Å; H26-K29 WeakPolarHBondContact O-CD 3.45Å; H26-K29 VanDerWaalsContact O-CG 3.31Å; H26-K29 WeakPolarHBondContact O-CG 3.36Å; S27-K29 PolarHBondContact O-N 2.94Å; K29-M35 HydrophobicContact CG-SD 4.48Å
30	S	38.7	Very low	40.6	Very low	114 Å²	114	121.2 Å²	121.2	80%	0.797	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.1	-20.5	-169.8	63.6	0	0	0	0	116	V28	V28-S30 PolarHBondContact O-N 3.28Å; V28-S30 VanDerWaalsContact O-N 3.14Å
31	R	35.5	Very low	39.8	Very low	233 Å²	233	120.7 Å²	120.7	88%	0.879	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	-10	-172	-104.9	-179.1	168.4	178.8	-4.4	114.9
32	T	37.7	Very low	39.3	Very low	54 Å²	54	120.6 Å²	120.6	33%	0.331	62%	0.616	S	S	.	*			trans	-141.4	106.7	-169.8	44	0	0	0	0	105.5	V28 W34	V28-T32 PolarHBondContact O-OG1 3.28Å; T32-W34 VanDerWaalsContact CA-CD1 3.49Å; T32-W34 VanDerWaalsContact CB-NE1 3.33Å; T32-W34 PolarHBondContact O-N 3.26Å
33	G	30	Very low	39.2	Very low	59 Å²	59	119.5 Å²	119.5	61%	0.608	61%	0.61	S	S	*	*			trans	-61	24.6	178.8	0	0	0	0	0	115.9	M35 A36	G33-M35 VanDerWaalsContact C-N 3.29Å; G33-M35 PolarHBondContact O-N 2.92Å; G33-A36 PolarHBondContact O-N 3.5Å; G33-A36 VanDerWaalsContact O-N 3.08Å
34	W	39.6	Very low	39.4	Very low	131 Å²	131	115.6 Å²	115.6	50%	0.496	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75	-16	-165.5	-69.7	40.1	0	0	0	113.4	T32 L47 I54	T32-W34 VanDerWaalsContact CA-CD1 3.49Å; T32-W34 VanDerWaalsContact CB-NE1 3.33Å; T32-W34 PolarHBondContact O-N 3.26Å; W34-L47 HydrophobicContact CE3-CD2 4.24Å; W34-L47 HydrophobicContact CZ3-CD2 3.6Å; W34-I54 HydrophobicContact CH2-CD1 3.61Å; W34-I54 HydrophobicContact CH2-CG1 4.43Å; W34-I54 HydrophobicContact CZ2-CD1 4.4Å
35	M	34.5	Very low	39.9	Very low	125 Å²	125	107.2 Å²	107.2	62%	0.616	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	-10.5	171	-69.6	-170.2	-176.4	0	0	113.2	K29 G33 S38	K29-M35 HydrophobicContact CG-SD 4.48Å; G33-M35 VanDerWaalsContact C-N 3.29Å; G33-M35 PolarHBondContact O-N 2.92Å; M35-S38 WeakPolarHBondContact O-CB 3.37Å; M35-S38 PolarHBondContact O-N 3.48Å
36	A	32.4	Very low	40.5	Very low	91 Å²	91	106.3 Å²	106.3	75%	0.752	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-23.8	178.1	0	0	0	0	0	112.6	G33 S38	G33-A36 PolarHBondContact O-N 3.5Å; G33-A36 VanDerWaalsContact O-N 3.08Å; A36-S38 PolarHBondContact O-N 2.99Å; A36-S38 VanDerWaalsContact O-N 3.12Å
37	F	33.7	Very low	41.3	Very low	150 Å²	150	102.3 Å²	102.3	66%	0.658	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	1.8	168.7	-106.2	-91.7	0	0	0	114	R39	F37-R39 PolarHBondContact O-N 2.83Å
38	S	37.2	Very low	42.4	Very low	69 Å²	69	98.5 Å²	98.5	48%	0.483	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-0.3	-171.3	174.7	0	0	0	0	116.2	M35 A36	M35-S38 WeakPolarHBondContact O-CB 3.37Å; M35-S38 PolarHBondContact O-N 3.48Å; A36-S38 PolarHBondContact O-N 2.99Å; A36-S38 VanDerWaalsContact O-N 3.12Å
39	R	35.5	Very low	43.2	Very low	239 Å²	239	99.3 Å²	99.3	90%	0.902	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	-21.6	-174.3	-79.8	-174.1	173.1	178.8	-1.8	115.2	F37	F37-R39 PolarHBondContact O-N 2.83Å
40	E	35.5	Very low	44.3	Very low	154 Å²	154	96.2 Å²	96.2	72%	0.72	50%	0.504	S	S	*	.	S	Bend	trans	-145	119.2	-172.9	-68.5	173.2	179.3	0	0	107.9
41	N	38.5	Very low	45.6	Very low	135 Å²	135	91.3 Å²	91.3	72%	0.722	47%	0.469	S	S	*	.	S	Bend	trans	90.4	137.4	177.5	-51.6	-23.6	0	0	0	117.1	I43	N41-I43 PolarHBondContact O-N 3.04Å
42	L	50.8	Low	47	Very low	66 Å²	66	81 Å²	81	35%	0.346	43%	0.432	S	S	.	.			trans	-50.2	110.6	-177.3	-74.3	89.6	0	0	0	110.3	H44 E45 S46	L42-H44 PolarHBondContact O-N 3.37Å; L42-E45 HydrophobicContact CD2-CG 4.44Å; L42-E45 PolarHBondContact O-N 3.42Å; L42-S46 PolarHBondContact O-OG 3.25Å; L42-S46 VanDerWaalsContact O-OG 3.09Å
43	I	50.6	Low	48.3	Very low	59 Å²	59	80.8 Å²	80.8	30%	0.303	44%	0.436	S	S	.	.	H	α-helix	trans	-52	-21.9	175	-63.7	170.1	0	0	0	111.2	N41 S46 L47	N41-I43 PolarHBondContact O-N 3.04Å; I43-S46 PolarHBondContact O-OG 3.25Å; I43-L47 HydrophobicContact CG2-CD1 3.86Å; I43-L47 WeakPolarHBondContact O-CB 3.3Å; I43-L47 WeakPolarHBondContact O-CD1 3.42Å; I43-L47 WeakPolarHBondContact O-CG 3.13Å; I43-L47 PolarHBondContact O-N 2.6Å
44	H	51.2	Low	50	Low	19 Å²	19	79.1 Å²	79.1	9%	0.088	41%	0.413	C	S	.	.	H	α-helix	trans	-91.9	-36.9	-170.1	-63.8	-67.6	0	0	0	115.5	L42 L47 A48 N267	L42-H44 PolarHBondContact O-N 3.37Å; H44-L47 PolarHBondContact O-N 3.3Å; H44-A48 PolarHBondContact O-N 2.93Å; H44-N267 PolarHBondContact ND1-ND2 2.95Å
45	E	53.1	Low	51.2	Low	52 Å²	52	73.3 Å²	73.3	24%	0.243	39%	0.391	C	S	.	.	H	α-helix	trans	-72.8	-39.5	176.6	-69.3	-174.4	162.9	0	0	110.5	L42 L47 A48 D49 Y117 R194	L42-E45 HydrophobicContact CD2-CG 4.44Å; L42-E45 PolarHBondContact O-N 3.42Å; E45-L47 VanDerWaalsContact C-N 3.34Å; E45-L47 PolarHBondContact O-N 3.48Å; E45-A48 PolarHBondContact O-N 3.28Å; E45-D49 PolarHBondContact O-N 3.22Å; E45-Y117 WeakPolarHBondContact OE1-CE2 3.48Å; E45-R194 IonicContact OE1-NH1 3.71Å
46	S	55	Low	52.6	Low	54 Å²	54	71.1 Å²	71.1	38%	0.378	38%	0.381	S	S	.	.	H	α-helix	trans	-61.4	-38.6	172.3	51.9	0	0	0	0	112.7	L42 I43 D49 V50	L42-S46 PolarHBondContact O-OG 3.25Å; L42-S46 VanDerWaalsContact O-OG 3.09Å; I43-S46 PolarHBondContact O-OG 3.25Å; S46-D49 PolarHBondContact O-N 3.07Å; S46-V50 VanDerWaalsContact O-CB 3.25Å; S46-V50 WeakPolarHBondContact O-CB 3.49Å; S46-V50 WeakPolarHBondContact O-CG2 3.44Å; S46-V50 PolarHBondContact O-N 2.93Å
47	L	59	Low	54.1	Low	40 Å²	40	74.3 Å²	74.3	21%	0.209	38%	0.38	C	S	.	.	H	α-helix	trans	-65.9	-40.1	175.3	-80.1	169.4	0	0	0	112.6	W34 I43 H44 E45 V50 L51	W34-L47 HydrophobicContact CE3-CD2 4.24Å; W34-L47 HydrophobicContact CZ3-CD2 3.6Å; I43-L47 HydrophobicContact CG2-CD1 3.86Å; I43-L47 WeakPolarHBondContact O-CB 3.3Å; I43-L47 WeakPolarHBondContact O-CD1 3.42Å; I43-L47 WeakPolarHBondContact O-CG 3.13Å; I43-L47 PolarHBondContact O-N 2.6Å; H44-L47 PolarHBondContact O-N 3.3Å; E45-L47 VanDerWaalsContact C-N 3.34Å; E45-L47 PolarHBondContact O-N 3.48Å; L47-V50 PolarHBondContact O-N 3.33Å; L47-L51 WeakPolarHBondContact O-CB 3.19Å; L47-L51 VanDerWaalsContact O-CG 3.25Å; L47-L51 WeakPolarHBondContact O-CG 3.4Å; L47-L51 PolarHBondContact O-N 3.17Å
48	A	59.1	Low	55.5	Low	25 Å²	25	71 Å²	71	21%	0.207	37%	0.372	C	S	.	.	H	α-helix	trans	-67.3	-39.1	177.8	0	0	0	0	0	112.2	H44 E45 P52 V77	H44-A48 PolarHBondContact O-N 2.93Å; E45-A48 PolarHBondContact O-N 3.28Å; A48-P52 VanDerWaalsContact O-CD 3.3Å; A48-P52 WeakPolarHBondContact O-CD 3.47Å; A48-V77 HydrophobicContact CB-CG2 4.42Å
49	D	61	Low	56.7	Low	87 Å²	87	69.3 Å²	69.3	47%	0.465	36%	0.356	S	S	.	.	H	α-helix	trans	-71.8	-30.7	176.7	-75.2	-35	0	0	0	112.5	E45 S46 R118	E45-D49 PolarHBondContact O-N 3.22Å; S46-D49 PolarHBondContact O-N 3.07Å; D49-R118 IonicContact OD1-CZ 3.9Å; D49-R118 IonicContact OD1-NH2 2.91Å; D49-R118 PolarHBondContact OD1-NH2 3.11Å; D49-R118 IonicContact OD2-NH2 3.07Å; D49-R118 PolarHBondContact OD2-NH2 2.76Å; D49-R118 VanDerWaalsContact OD2-NH2 3.07Å
50	V	62.7	Low	57.9	Low	64 Å²	64	64.5 Å²	64.5	39%	0.388	35%	0.348	S	S	.	.	H	α-helix	trans	-87	-18.9	-179.3	179.4	0	0	0	0	112.2	S46 L47 A53 I54	S46-V50 VanDerWaalsContact O-CB 3.25Å; S46-V50 WeakPolarHBondContact O-CB 3.49Å; S46-V50 WeakPolarHBondContact O-CG2 3.44Å; S46-V50 PolarHBondContact O-N 2.93Å; L47-V50 PolarHBondContact O-N 3.33Å; V50-A53 WeakPolarHBondContact O-CB 3.45Å; V50-A53 PolarHBondContact O-N 2.92Å; V50-A53 VanDerWaalsContact O-N 3.09Å; V50-I54 HydrophobicContact CG1-CD1 3.88Å; V50-I54 HydrophobicContact CG1-CG1 3.92Å; V50-I54 WeakPolarHBondContact O-CG1 3.03Å; V50-I54 PolarHBondContact O-N 3.39Å
51	L	65.3	Low	59.2	Low	11 Å²	11	64.8 Å²	64.8	6%	0.058	36%	0.355	C	S	.	.	H	α-helix	trans	-56.7	-46.8	180	-93.4	175	0	0	0	114.5	L17 L47 A53 I54 I55 V77	L17-L51 HydrophobicContact CD2-CD1 4.47Å; L17-L51 HydrophobicContact CD2-CD2 4.33Å; L47-L51 WeakPolarHBondContact O-CB 3.19Å; L47-L51 VanDerWaalsContact O-CG 3.25Å; L47-L51 WeakPolarHBondContact O-CG 3.4Å; L47-L51 PolarHBondContact O-N 3.17Å; L51-A53 PolarHBondContact O-N 2.94Å; L51-I54 HydrophobicContact CD2-CD1 4.47Å; L51-I54 PolarHBondContact O-N 2.86Å; L51-I55 VanDerWaalsContact O-CG1 3.27Å; L51-I55 WeakPolarHBondContact O-CG1 3.43Å; L51-I55 PolarHBondContact O-N 3.13Å; L51-V77 HydrophobicContact CD1-CB 4.5Å; L51-V77 HydrophobicContact CD1-CG2 3.19Å; L51-V77 HydrophobicContact CG-CG2 4.38Å
52	P	64.5	Low	60.4	Low	17 Å²	17	59 Å²	59	11%	0.11	32%	0.324	C	S	.	.	H	α-helix	trans	-57	-39.7	174.5	-25.6	34.5	0	0	0	112.4	A48 I55 M56 M71 Y75	A48-P52 VanDerWaalsContact O-CD 3.3Å; A48-P52 WeakPolarHBondContact O-CD 3.47Å; P52-I55 PolarHBondContact O-N 3.01Å; P52-M56 VanDerWaalsContact O-CG 3.28Å; P52-M56 WeakPolarHBondContact O-CG 3.44Å; P52-M56 PolarHBondContact O-N 2.99Å; P52-M71 HydrophobicContact CB-SD 3.98Å; P52-Y75 HydrophobicContact CG-CD2 4.44Å
53	A	65.1	Low	61.3	Low	49 Å²	49	62.5 Å²	62.5	41%	0.405	34%	0.337	S	S	.	.	H	α-helix	trans	-66.1	-40.7	177.3	0	0	0	0	0	112.2	V50 L51 M56 E57	V50-A53 WeakPolarHBondContact O-CB 3.45Å; V50-A53 PolarHBondContact O-N 2.92Å; V50-A53 VanDerWaalsContact O-N 3.09Å; L51-A53 PolarHBondContact O-N 2.94Å; A53-M56 PolarHBondContact O-N 3.02Å; A53-E57 WeakPolarHBondContact O-CG 3.05Å; A53-E57 PolarHBondContact O-N 3.43Å
54	I	65.1	Low	62.2	Low	25 Å²	25	66.8 Å²	66.8	13%	0.128	36%	0.355	C	S	.	.	H	α-helix	trans	-66.3	-40.3	176	-60.5	159.3	0	0	0	110.9	W34 V50 L51 M56 E57 V58	W34-I54 HydrophobicContact CH2-CD1 3.61Å; W34-I54 HydrophobicContact CH2-CG1 4.43Å; W34-I54 HydrophobicContact CZ2-CD1 4.4Å; V50-I54 HydrophobicContact CG1-CD1 3.88Å; V50-I54 HydrophobicContact CG1-CG1 3.92Å; V50-I54 WeakPolarHBondContact O-CG1 3.03Å; V50-I54 PolarHBondContact O-N 3.39Å; L51-I54 HydrophobicContact CD2-CD1 4.47Å; L51-I54 PolarHBondContact O-N 2.86Å; I54-M56 VanDerWaalsContact C-N 3.31Å; I54-M56 PolarHBondContact O-N 3.34Å; I54-E57 PolarHBondContact O-N 3.09Å; I54-V58 HydrophobicContact CG2-CG2 4.22Å; I54-V58 VanDerWaalsContact O-CG2 3.22Å; I54-V58 WeakPolarHBondContact O-CG2 3.49Å; I54-V58 PolarHBondContact O-N 3.36Å
55	I	65.7	Low	62.9	Low	8 Å²	8	73.1 Å²	73.1	4%	0.041	39%	0.385	C	S	.	.	H	α-helix	trans	-63.7	-42.3	178.5	-66.6	164.7	0	0	0	109.7	F5 L51 P52 E57 V58 E59 L62 L70	F5-I55 HydrophobicContact CE1-CG1 4Å; L51-I55 VanDerWaalsContact O-CG1 3.27Å; L51-I55 WeakPolarHBondContact O-CG1 3.43Å; L51-I55 PolarHBondContact O-N 3.13Å; P52-I55 PolarHBondContact O-N 3.01Å; I55-E57 VanDerWaalsContact C-N 3.33Å; I55-E57 PolarHBondContact O-N 3.5Å; I55-V58 PolarHBondContact O-N 3.38Å; I55-E59 PolarHBondContact O-N 3.06Å; I55-L62 HydrophobicContact CG2-CD1 4.25Å; I55-L70 HydrophobicContact CB-CD2 4.26Å; I55-L70 HydrophobicContact CD1-CD2 3.9Å; I55-L70 HydrophobicContact CG2-CD2 3.78Å
56	M	63	Low	63.6	Low	80 Å²	80	73.8 Å²	73.8	39%	0.394	39%	0.388	S	S	.	.	H	α-helix	trans	-62.2	-36.3	174.6	-72.5	177.2	61.2	0	0	113.3	P52 A53 I54 M71	P52-M56 VanDerWaalsContact O-CG 3.28Å; P52-M56 WeakPolarHBondContact O-CG 3.44Å; P52-M56 PolarHBondContact O-N 2.99Å; A53-M56 PolarHBondContact O-N 3.02Å; I54-M56 VanDerWaalsContact C-N 3.31Å; I54-M56 PolarHBondContact O-N 3.34Å; M56-M71 HydrophobicContact SD-SD 4.08Å
57	E	64.5	Low	64.2	Low	158 Å²	158	73.9 Å²	73.9	74%	0.738	38%	0.381	S	S	*	.	H	α-helix	trans	-74	-25.1	176.8	-76.9	-177.5	175.8	0	0	113.5	A53 I54 I55	A53-E57 WeakPolarHBondContact O-CG 3.05Å; A53-E57 PolarHBondContact O-N 3.43Å; I54-E57 PolarHBondContact O-N 3.09Å; I55-E57 VanDerWaalsContact C-N 3.33Å; I55-E57 PolarHBondContact O-N 3.5Å
58	V	63.1	Low	64.6	Low	79 Å²	79	74.8 Å²	74.8	48%	0.479	39%	0.391	S	S	.	.	H	α-helix	trans	-90.4	-29	-176.5	173.8	0	0	0	0	111.7	I54 I55	I54-V58 HydrophobicContact CG2-CG2 4.22Å; I54-V58 VanDerWaalsContact O-CG2 3.22Å; I54-V58 WeakPolarHBondContact O-CG2 3.49Å; I54-V58 PolarHBondContact O-N 3.36Å; I55-V58 PolarHBondContact O-N 3.38Å
59	E	62.4	Low	65	Low	35 Å²	35	78.4 Å²	78.4	16%	0.164	40%	0.404	C	S	.	.			trans	-122	90.1	-177.6	-70.6	176.7	174.3	0	0	111	M8 I55 D61 L62	M8-E59 HydrophobicContact CE-CG 4.15Å; M8-E59 WeakPolarHBondContact CE-OE1 3.48Å; M8-E59 WeakPolarHBondContact CE-OE2 3.28Å; M8-E59 WeakPolarHBondContact CG-OE1 3.45Å; I55-E59 PolarHBondContact O-N 3.06Å; E59-D61 PolarHBondContact O-N 3.25Å; E59-L62 HydrophobicContact CB-CD1 3.83Å; E59-L62 HydrophobicContact CB-CG 3.98Å
60	D	60.5	Low	65.3	Low	137 Å²	137	74.5 Å²	74.5	73%	0.733	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-22.6	175.4	-75.1	-33.4	0	0	0	112.8	L62	D60-L62 PolarHBondContact O-N 3.44Å
61	D	63.2	Low	65.3	Low	161 Å²	161	77.4 Å²	77.4	86%	0.861	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	3	-169.6	-67.6	-33.6	0	0	0	115.7	E59	E59-D61 PolarHBondContact O-N 3.25Å
62	L	63.1	Low	65.4	Low	13 Å²	13	85.3 Å²	85.3	7%	0.068	43%	0.428	C	S	.	.			trans	-68	135.2	-178.4	-72.6	162.6	0	0	0	111.8	M8 I55 E59 D60 E66 K67 L70	M8-L62 HydrophobicContact SD-CD2 4.3Å; I55-L62 HydrophobicContact CG2-CD1 4.25Å; E59-L62 HydrophobicContact CB-CD1 3.83Å; E59-L62 HydrophobicContact CB-CG 3.98Å; D60-L62 PolarHBondContact O-N 3.44Å; L62-E66 HydrophobicContact CD2-CB 4.38Å; L62-K67 HydrophobicContact CB-CD 4.38Å; L62-K67 HydrophobicContact CB-CG 3.81Å; L62-K67 WeakPolarHBondContact O-CE 3.03Å; L62-K67 PolarHBondContact O-NZ 3.25Å; L62-L70 HydrophobicContact CD1-CD1 4.14Å; L62-L70 HydrophobicContact CD2-CD1 4.42Å
63	K	70.7	Confident	65.5	Low	140 Å²	140	88.5 Å²	88.5	61%	0.609	44%	0.44	S	S	*	.			trans	-64.6	147	173.5	-68.2	178.3	-179.4	174.1	0	110.2	E65 E66 K67	K63-E65 PolarHBondContact O-N 3.19Å; K63-E65 VanDerWaalsContact O-N 3.12Å; K63-E66 HydrophobicContact CB-CG 4.33Å; K63-E66 PolarHBondContact N-OE2 2.91Å; K63-E66 PolarHBondContact O-N 3.02Å; K63-K67 PolarHBondContact O-N 3.01Å
64	E	68.7	Low	65.6	Low	149 Å²	149	89.8 Å²	89.8	70%	0.696	43%	0.434	S	S	*	.	H	α-helix	trans	-51.9	-35	177	-78.1	-83.6	135.2	0	0	113.3	S68	E64-S68 WeakPolarHBondContact O-CB 3.48Å; E64-S68 PolarHBondContact O-N 3.37Å; E64-S68 PolarHBondContact O-OG 3.45Å
65	E	66.9	Low	65.8	Low	151 Å²	151	89.2 Å²	89.2	71%	0.706	43%	0.431	S	S	*	.	H	α-helix	trans	-65.9	-45.8	176	-64.6	178.3	172.4	0	0	111.7	K63 S68 E69	K63-E65 PolarHBondContact O-N 3.19Å; K63-E65 VanDerWaalsContact O-N 3.12Å; E65-S68 WeakPolarHBondContact O-CB 3.23Å; E65-S68 PolarHBondContact O-N 2.96Å; E65-E69 PolarHBondContact O-N 2.99Å
66	E	67.3	Low	66	Low	67 Å²	67	92 Å²	92	31%	0.313	44%	0.444	S	S	.	.	H	α-helix	trans	-67.2	-39.1	177.7	-65.7	170.1	161.1	0	0	110.8	L62 K63 S68 E69 L70	L62-E66 HydrophobicContact CD2-CB 4.38Å; K63-E66 HydrophobicContact CB-CG 4.33Å; K63-E66 PolarHBondContact N-OE2 2.91Å; K63-E66 PolarHBondContact O-N 3.02Å; E66-S68 VanDerWaalsContact C-N 3.33Å; E66-S68 PolarHBondContact O-N 3.02Å; E66-E69 PolarHBondContact O-N 3.5Å; E66-L70 WeakPolarHBondContact O-CB 3.4Å; E66-L70 WeakPolarHBondContact O-CD1 3.43Å; E66-L70 PolarHBondContact O-N 3.29Å
67	K	66.4	Low	66.5	Low	55 Å²	55	89.2 Å²	89.2	24%	0.239	43%	0.431	C	S	.	.	H	α-helix	trans	-59.8	-44	172.2	-70	179.1	177.6	169.9	0	111.4	L62 K63 E69 L70 M71	L62-K67 HydrophobicContact CB-CD 4.38Å; L62-K67 HydrophobicContact CB-CG 3.81Å; L62-K67 WeakPolarHBondContact O-CE 3.03Å; L62-K67 PolarHBondContact O-NZ 3.25Å; K63-K67 PolarHBondContact O-N 3.01Å; K67-E69 VanDerWaalsContact C-N 3.34Å; K67-E69 PolarHBondContact O-N 3.43Å; K67-L70 PolarHBondContact O-N 2.93Å; K67-M71 VanDerWaalsContact O-CG 3.3Å; K67-M71 WeakPolarHBondContact O-CG 3.3Å; K67-M71 PolarHBondContact O-N 3.07Å
68	S	67.6	Low	67	Low	59 Å²	59	81.9 Å²	81.9	41%	0.413	40%	0.397	S	S	.	.	H	α-helix	trans	-66.5	-35.5	177.4	-63.6	0	0	0	0	112.4	E64 E65 E66 K72	E64-S68 WeakPolarHBondContact O-CB 3.48Å; E64-S68 PolarHBondContact O-N 3.37Å; E64-S68 PolarHBondContact O-OG 3.45Å; E65-S68 WeakPolarHBondContact O-CB 3.23Å; E65-S68 PolarHBondContact O-N 2.96Å; E66-S68 VanDerWaalsContact C-N 3.33Å; E66-S68 PolarHBondContact O-N 3.02Å; S68-K72 VanDerWaalsContact O-CG 3.3Å; S68-K72 WeakPolarHBondContact O-CG 3.47Å; S68-K72 PolarHBondContact O-N 2.91Å
69	E	69	Low	67.6	Low	101 Å²	101	79 Å²	79	47%	0.472	38%	0.379	S	S	.	.	H	α-helix	trans	-69.6	-42.7	173	-75.2	-164.5	179.9	0	0	112.6	E65 E66 K67 M71 K72 K73	E65-E69 PolarHBondContact O-N 2.99Å; E66-E69 PolarHBondContact O-N 3.5Å; K67-E69 VanDerWaalsContact C-N 3.34Å; K67-E69 PolarHBondContact O-N 3.43Å; E69-M71 VanDerWaalsContact C-N 3.28Å; E69-M71 PolarHBondContact O-N 3.03Å; E69-K72 PolarHBondContact O-N 3.14Å; E69-K72 VanDerWaalsContact O-N 3.13Å; E69-K73 WeakPolarHBondContact O-CB 3.03Å; E69-K73 WeakPolarHBondContact O-CG 3.25Å; E69-K73 PolarHBondContact O-N 3.43Å; E69-K73 IonicContact OE2-NZ 3.43Å; E69-K73 PolarHBondContact OE2-NZ 3Å
70	L	65.6	Low	68.1	Low	6 Å²	6	80 Å²	80	3%	0.031	38%	0.383	C	S	.	.	H	α-helix	trans	-58.8	-39.3	176.1	-100.5	132.7	0	0	0	111.9	L12 I55 L62 E66 K67 K72 Y75	L12-L70 HydrophobicContact CD2-CD1 4.3Å; I55-L70 HydrophobicContact CB-CD2 4.26Å; I55-L70 HydrophobicContact CD1-CD2 3.9Å; I55-L70 HydrophobicContact CG2-CD2 3.78Å; L62-L70 HydrophobicContact CD1-CD1 4.14Å; L62-L70 HydrophobicContact CD2-CD1 4.42Å; E66-L70 WeakPolarHBondContact O-CB 3.4Å; E66-L70 WeakPolarHBondContact O-CD1 3.43Å; E66-L70 PolarHBondContact O-N 3.29Å; K67-L70 PolarHBondContact O-N 2.93Å; L70-K72 VanDerWaalsContact C-N 3.34Å; L70-Y75 HydrophobicContact CD2-CE2 4.1Å; L70-Y75 WeakPolarHBondContact CD2-OH 3.5Å
71	M	64.2	Low	68.5	Low	125 Å²	125	76.8 Å²	76.8	62%	0.616	37%	0.366	S	S	*	.	H	α-helix	trans	-74.3	-24.1	177.6	-69	-65.8	-78.3	0	0	113.3	P52 M56 K67 E69	P52-M71 HydrophobicContact CB-SD 3.98Å; M56-M71 HydrophobicContact SD-SD 4.08Å; K67-M71 VanDerWaalsContact O-CG 3.3Å; K67-M71 WeakPolarHBondContact O-CG 3.3Å; K67-M71 PolarHBondContact O-N 3.07Å; E69-M71 VanDerWaalsContact C-N 3.28Å; E69-M71 PolarHBondContact O-N 3.03Å
72	K	67.3	Low	69.2	Low	177 Å²	177	70.5 Å²	70.5	77%	0.77	33%	0.331	S	S	*	.	H	α-helix	trans	-84.4	-33.5	175.1	-74	173.5	-176.1	174.9	0	112.3	S68 E69 L70	S68-K72 VanDerWaalsContact O-CG 3.3Å; S68-K72 WeakPolarHBondContact O-CG 3.47Å; S68-K72 PolarHBondContact O-N 2.91Å; E69-K72 PolarHBondContact O-N 3.14Å; E69-K72 VanDerWaalsContact O-N 3.13Å; L70-K72 VanDerWaalsContact C-N 3.34Å
73	K	66.4	Low	69.8	Low	84 Å²	84	74.2 Å²	74.2	37%	0.365	36%	0.355	S	S	.	.	S	Bend	trans	-76.6	140.5	-179.8	-76.8	175.5	179.8	166.3	0	110.4	L12 E69 Y75	L12-K73 PolarHBondContact O-NZ 3.18Å; E69-K73 WeakPolarHBondContact O-CB 3.03Å; E69-K73 WeakPolarHBondContact O-CG 3.25Å; E69-K73 PolarHBondContact O-N 3.43Å; E69-K73 IonicContact OE2-NZ 3.43Å; E69-K73 PolarHBondContact OE2-NZ 3Å; K73-Y75 HydrophobicContact CB-CE2 4.35Å
74	R	66.2	Low	70.1	Confident	76 Å²	76	75.1 Å²	75.1	29%	0.287	36%	0.355	S	S	.	.			trans	-102.1	135.5	175.1	-71.4	178.6	166.1	-154.8	-5.1	109.2
75	Y	69.3	Low	70.8	Confident	12 Å²	12	71.9 Å²	71.9	5%	0.047	34%	0.341	C	S	.	.			trans	-107.8	131.5	178.5	-62.9	-78.6	0	0	0	110.2	P15 P52 L70 K73	P15-Y75 WeakPolarHBondContact O-CA 3.37Å; P52-Y75 HydrophobicContact CG-CD2 4.44Å; L70-Y75 HydrophobicContact CD2-CE2 4.1Å; L70-Y75 WeakPolarHBondContact CD2-OH 3.5Å; K73-Y75 HydrophobicContact CB-CE2 4.35Å
76	H	71.2	Confident	71.8	Confident	68 Å²	68	67.3 Å²	67.3	32%	0.315	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	133.4	165.1	-67.1	-73.1	0	0	0	109.4	P15 C16 L17	P15-H76 PolarHBondContact O-N 3.1Å; C16-H76 WeakPolarHBondContact CA-O 3.49Å; L17-H76 PolarHBondContact N-O 3.45Å
77	V	72.3	Confident	72.8	Confident	20 Å²	20	70.9 Å²	70.9	12%	0.121	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	111.6	-178.5	-168.6	0	0	0	0	109.8	V19 A48 L51 I79	V19-V77 HydrophobicContact CB-CG1 4.32Å; V19-V77 HydrophobicContact CG2-CG1 3.79Å; A48-V77 HydrophobicContact CB-CG2 4.42Å; L51-V77 HydrophobicContact CD1-CB 4.5Å; L51-V77 HydrophobicContact CD1-CG2 3.19Å; L51-V77 HydrophobicContact CG-CG2 4.38Å; V77-I79 HydrophobicContact CG1-CG1 4.34Å
78	S	75.8	Confident	73.9	Confident	5 Å²	5	68.9 Å²	68.9	4%	0.035	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	113.2	174.2	41.7	0	0	0	0	109	L17 N18 V19	L17-S78 PolarHBondContact O-N 2.86Å; L17-S78 PolarHBondContact O-OG 3.04Å; N18-S78 WeakPolarHBondContact CA-O 3.28Å; N18-S78 WeakPolarHBondContact CA-OG 3.27Å; N18-S78 PolarHBondContact N-OG 3.41Å; N18-S78 PolarHBondContact OD1-OG 3.22Å; V19-S78 PolarHBondContact N-O 2.96Å
79	I	75.8	Confident	74.8	Confident	18 Å²	18	68.9 Å²	68.9	9%	0.092	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	117.9	178.7	-59.2	173.1	0	0	0	109	V19 F21 V77 L99 T210 N268	V19-I79 WeakPolarHBondContact O-CA 3.37Å; F21-I79 HydrophobicContact CB-CG2 4.25Å; V77-I79 HydrophobicContact CG1-CG1 4.34Å; I79-L99 HydrophobicContact CD1-CD1 4.45Å; I79-L99 HydrophobicContact CD1-CD2 3.56Å; I79-L99 HydrophobicContact CG2-CD2 4.32Å; I79-T210 HydrophobicContact CB-CG2 4.38Å; I79-N268 WeakPolarHBondContact O-CB 3.49Å; I79-N268 PolarHBondContact O-ND2 2.86Å
80	E	72.7	Confident	75.8	Confident	56 Å²	56	68 Å²	68	26%	0.262	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	152	176.1	-72.5	176.9	-173.7	0	0	111.6	N18 V19 F21 Y82 N268	N18-E80 PolarHBondContact ND2-OE1 3.19Å; V19-E80 PolarHBondContact O-N 2.98Å; F21-E80 WeakPolarHBondContact CB-O 2.92Å; F21-E80 PolarHBondContact N-O 2.81Å; E80-Y82 PolarHBondContact O-N 2.97Å; E80-N268 WeakPolarHBondContact CG-ND2 3.28Å
81	D	69	Low	76.8	Confident	70 Å²	70	68.8 Å²	68.8	37%	0.374	32%	0.315	S	S	.	.			trans	57.4	42.6	174.5	-66.5	-24.7	0	0	0	115.5	R20 P83	R20-D81 IonicContact CZ-OD2 2.81Å; R20-D81 VanDerWaalsContact CZ-OD2 3.26Å; R20-D81 IonicContact NE-OD2 3.17Å; R20-D81 PolarHBondContact NE-OD2 2.92Å; R20-D81 IonicContact NH2-OD2 2.76Å; R20-D81 PolarHBondContact NH2-OD2 3.19Å; D81-P83 WeakPolarHBondContact O-CD 3.42Å
82	Y	77.4	Confident	77.9	Confident	29 Å²	29	69.6 Å²	69.6	11%	0.114	32%	0.315	C	S	.	.			trans	-72.5	122.4	174.8	-168	-113.3	0	0	0	111.7	F21 E80 R84 L99	F21-Y82 HydrophobicContact CD1-CD2 4.4Å; F21-Y82 HydrophobicContact CD2-CD2 4.25Å; F21-Y82 HydrophobicContact CE2-CD2 4.46Å; F21-Y82 HydrophobicContact CE2-CE2 4.3Å; F21-Y82 HydrophobicContact CG-CD2 4.22Å; F21-Y82 HydrophobicContact CZ-CE2 4.33Å; E80-Y82 PolarHBondContact O-N 2.97Å; Y82-R84 HydrophobicContact CD1-CB 4.14Å; Y82-R84 HydrophobicContact CE1-CB 3.54Å; Y82-R84 HydrophobicContact CE1-CG 4.15Å; Y82-R84 PolarHBondContact O-N 3.05Å; Y82-L99 HydrophobicContact CD1-CG 4.27Å; Y82-L99 HydrophobicContact CD2-CD2 3.8Å; Y82-L99 HydrophobicContact CD2-CG 4.36Å; Y82-L99 HydrophobicContact CE1-CB 4.48Å; Y82-L99 HydrophobicContact CE1-CG 4.15Å; Y82-L99 WeakPolarHBondContact CE1-O 3.22Å; Y82-L99 HydrophobicContact CE2-CD2 3.82Å; Y82-L99 HydrophobicContact CE2-CG 4.3Å; Y82-L99 HydrophobicContact CG-CD2 4.2Å; Y82-L99 HydrophobicContact CG-CG 4.36Å; Y82-L99 PolarHBondContact OH-O 3.42Å
83	P	75.8	Confident	78.7	Confident	90 Å²	90	65.6 Å²	65.6	58%	0.584	31%	0.309	S	S	*	.	S	Bend	trans	-77	-20.6	-169	28.3	-35.5	0	0	0	114.5	F21 D81 M85	F21-P83 HydrophobicContact CD1-CG 4.25Å; F21-P83 HydrophobicContact CE1-CG 4.1Å; D81-P83 WeakPolarHBondContact O-CD 3.42Å; P83-M85 PolarHBondContact O-N 3.11Å
84	R	78.4	Confident	79.6	Confident	159 Å²	159	65 Å²	65	60%	0.6	32%	0.32	S	S	*	.			trans	-84.7	86.1	-179.9	-62.1	-177.1	172.7	176.3	-4.4	110.7	Y82 S101	Y82-R84 HydrophobicContact CD1-CB 4.14Å; Y82-R84 HydrophobicContact CE1-CB 3.54Å; Y82-R84 HydrophobicContact CE1-CG 4.15Å; Y82-R84 PolarHBondContact O-N 3.05Å; R84-S101 PolarHBondContact O-N 3.44Å; R84-S101 VanDerWaalsContact O-N 3.13Å
85	M	82.9	Confident	80.4	Confident	82 Å²	82	62 Å²	62	40%	0.404	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	133.6	167.9	-64.2	-65.1	-59.9	0	0	110.3	P83 S101 H103 R208	P83-M85 PolarHBondContact O-N 3.11Å; M85-S101 CarbonylContact C-O 3.48Å; M85-S101 WeakPolarHBondContact CA-O 3.33Å; M85-S101 WeakPolarHBondContact SD-CB 3.23Å; M85-S101 PolarHBondContact SD-OG 3.19Å; M85-H103 HydrophobicContact CE-CB 4.02Å; M85-R208 HydrophobicContact CE-CG 4.01Å; M85-R208 HydrophobicContact SD-CG 4.04Å
86	K	87.4	Confident	81.1	Confident	55 Å²	55	65.1 Å²	65.1	24%	0.239	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	149.1	169.4	-70.8	-174.2	174.8	166.2	0	109.9	D90 N95 V100 S101	K86-D90 HydrophobicContact CB-CB 4.35Å; K86-N95 WeakPolarHBondContact CD-ND2 3.49Å; K86-N95 PolarHBondContact NZ-ND2 3.25Å; K86-N95 PolarHBondContact NZ-OD1 3.28Å; K86-V100 HydrophobicContact CB-CG1 3.69Å; K86-V100 HydrophobicContact CD-CG1 3.82Å; K86-V100 HydrophobicContact CD-CG2 4.24Å; K86-V100 HydrophobicContact CG-CG1 3.85Å; K86-S101 PolarHBondContact N-O 3.37Å
87	R	88.2	Confident	81.5	Confident	141 Å²	141	63.6 Å²	63.6	53%	0.532	33%	0.329	S	S	.	.			trans	-78.8	159.3	171.5	-57.7	179.2	-179.6	168	1.1	109.8	R89 D90	R87-R89 PolarHBondContact O-N 3.11Å; R87-D90 PolarHBondContact O-N 2.84Å
88	L	88.8	Confident	81.9	Confident	13 Å²	13	66 Å²	66	7%	0.068	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-59.3	-33.6	178	-82.5	67.8	0	0	0	112	D90 L91 H103 I173 E175 I189	L88-D90 VanDerWaalsContact C-N 3.27Å; L88-D90 PolarHBondContact O-N 3.25Å; L88-L91 WeakPolarHBondContact O-CB 3.45Å; L88-L91 PolarHBondContact O-N 3.4Å; L88-H103 WeakPolarHBondContact CD1-O 3.25Å; L88-I173 HydrophobicContact CD1-CD1 4.48Å; L88-I173 HydrophobicContact CD2-CD1 4.3Å; L88-I173 HydrophobicContact CD2-CG1 4.33Å; L88-E175 HydrophobicContact CB-CG 3.67Å; L88-E175 WeakPolarHBondContact CB-OE1 3.24Å; L88-E175 HydrophobicContact CD1-CG 4.44Å; L88-E175 HydrophobicContact CD2-CG 3.83Å; L88-E175 HydrophobicContact CG-CG 4.17Å; L88-I189 HydrophobicContact CD2-CG2 3.75Å; L88-I189 HydrophobicContact CG-CG2 4.22Å
89	R	87.9	Confident	82.2	Confident	60 Å²	60	66.9 Å²	66.9	23%	0.226	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-67.9	-24.1	176	-56.1	-167.4	-178.8	-118.3	-9.6	114.1	R87 L91 E175 V185	R87-R89 PolarHBondContact O-N 3.11Å; R89-L91 VanDerWaalsContact C-N 3.29Å; R89-E175 WeakPolarHBondContact CG-OE1 3.38Å; R89-E175 IonicContact CZ-OE2 2.85Å; R89-E175 VanDerWaalsContact CZ-OE2 3.23Å; R89-E175 IonicContact NE-OE1 3.65Å; R89-E175 PolarHBondContact NE-OE1 3.47Å; R89-E175 IonicContact NE-OE2 2.68Å; R89-E175 PolarHBondContact NE-OE2 2.92Å; R89-E175 IonicContact NH2-OE2 2.71Å; R89-E175 PolarHBondContact NH2-OE2 2.92Å; R89-V185 PolarHBondContact NH2-O 3.01Å
90	D	89.1	Confident	82.8	Confident	81 Å²	81	66.1 Å²	66.1	43%	0.433	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-87	-2.8	-179.1	-59.4	-33.4	0	0	0	112.4	K86 R87 L88 K92 N95	K86-D90 HydrophobicContact CB-CB 4.35Å; R87-D90 PolarHBondContact O-N 2.84Å; L88-D90 VanDerWaalsContact C-N 3.27Å; L88-D90 PolarHBondContact O-N 3.25Å; D90-K92 PolarHBondContact O-N 2.78Å; D90-K92 VanDerWaalsContact O-N 3.07Å; D90-N95 PolarHBondContact O-ND2 2.96Å
91	L	86.6	Confident	83.6	Confident	24 Å²	24	63.5 Å²	63.5	13%	0.126	33%	0.327	C	S	.	.			trans	-73.3	96.8	172.9	-61	178.1	0	0	0	109.8	L88 R89 V100 I102 I189 L213	L88-L91 WeakPolarHBondContact O-CB 3.45Å; L88-L91 PolarHBondContact O-N 3.4Å; R89-L91 VanDerWaalsContact C-N 3.29Å; L91-V100 HydrophobicContact CD2-CG1 4.27Å; L91-I102 HydrophobicContact CD1-CG2 4.15Å; L91-I102 HydrophobicContact CD2-CG2 3.93Å; L91-I102 HydrophobicContact CG-CG2 4.44Å; L91-I189 HydrophobicContact CD1-CD1 3.93Å; L91-L213 HydrophobicContact CB-CD2 4.4Å; L91-L213 HydrophobicContact CD1-CD1 4.49Å
92	K	86.6	Confident	84.7	Confident	142 Å²	142	60.1 Å²	60.1	62%	0.617	31%	0.309	S	S	*	.			trans	-106.5	166.5	174.6	-60.9	-174.9	-178.5	-179.6	0	110.5	D90 A94 N95	D90-K92 PolarHBondContact O-N 2.78Å; D90-K92 VanDerWaalsContact O-N 3.07Å; K92-A94 PolarHBondContact O-N 2.74Å; K92-A94 VanDerWaalsContact O-N 3.12Å; K92-N95 PolarHBondContact N-ND2 3.04Å; K92-N95 WeakPolarHBondContact O-CB 3.31Å; K92-N95 PolarHBondContact O-N 3.37Å
93	S	84.3	Confident	85.2	Confident	92 Å²	92	60.2 Å²	60.2	64%	0.643	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-54.2	-29.8	174.4	51.8	0	0	0	0	113.7	N95 I96	S93-N95 PolarHBondContact O-N 3.45Å; S93-N95 VanDerWaalsContact O-N 3.14Å; S93-I96 WeakPolarHBondContact O-CB 3.44Å; S93-I96 WeakPolarHBondContact O-CD1 3.1Å; S93-I96 VanDerWaalsContact O-CG1 3.24Å; S93-I96 WeakPolarHBondContact O-CG1 3.02Å; S93-I96 PolarHBondContact O-N 3.03Å; S93-I96 VanDerWaalsContact O-N 3.14Å
94	A	85.7	Confident	85.8	Confident	73 Å²	73	56 Å²	56	60%	0.603	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-62.9	-16.8	175.1	0	0	0	0	0	114.4	K92 Q98	K92-A94 PolarHBondContact O-N 2.74Å; K92-A94 VanDerWaalsContact O-N 3.12Å; A94-Q98 PolarHBondContact O-NE2 2.83Å
95	N	82.7	Confident	86.2	Confident	13 Å²	13	50.3 Å²	50.3	7%	0.07	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-94.8	-0.6	179.5	-56.1	-19.2	0	0	0	112.7	K86 D90 K92 S93 G97 Q98 L213	K86-N95 WeakPolarHBondContact CD-ND2 3.49Å; K86-N95 PolarHBondContact NZ-ND2 3.25Å; K86-N95 PolarHBondContact NZ-OD1 3.28Å; D90-N95 PolarHBondContact O-ND2 2.96Å; K92-N95 PolarHBondContact N-ND2 3.04Å; K92-N95 WeakPolarHBondContact O-CB 3.31Å; K92-N95 PolarHBondContact O-N 3.37Å; S93-N95 PolarHBondContact O-N 3.45Å; S93-N95 VanDerWaalsContact O-N 3.14Å; N95-G97 PolarHBondContact O-N 2.91Å; N95-Q98 WeakPolarHBondContact O-CB 3.17Å; N95-Q98 PolarHBondContact O-N 3.2Å; N95-Q98 VanDerWaalsContact O-N 3.12Å; N95-L213 HydrophobicContact CB-CD2 4.45Å
96	I	85.1	Confident	86.4	Confident	76 Å²	76	46.5 Å²	46.5	39%	0.39	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-61.3	132.8	178.3	-65.1	168.7	0	0	0	108.8	S93 Q98 L213 L262	S93-I96 WeakPolarHBondContact O-CB 3.44Å; S93-I96 WeakPolarHBondContact O-CD1 3.1Å; S93-I96 VanDerWaalsContact O-CG1 3.24Å; S93-I96 WeakPolarHBondContact O-CG1 3.02Å; S93-I96 PolarHBondContact O-N 3.03Å; S93-I96 VanDerWaalsContact O-N 3.14Å; I96-Q98 PolarHBondContact O-N 3.47Å; I96-L213 WeakPolarHBondContact CA-O 3.42Å; I96-L213 HydrophobicContact CG1-CD2 4.03Å; I96-L213 HydrophobicContact CG1-CG 4.36Å; I96-L262 HydrophobicContact CD1-CD2 4.02Å; I96-L262 HydrophobicContact CG1-CD2 4.32Å
97	G	78.7	Confident	86.2	Confident	36 Å²	36	46.7 Å²	46.7	37%	0.371	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	-3.2	-177.5	0	0	0	0	0	115.5	N95 L213	N95-G97 PolarHBondContact O-N 2.91Å; G97-L213 PolarHBondContact N-O 2.85Å
98	Q	80.4	Confident	85.8	Confident	72 Å²	72	43.2 Å²	43.2	34%	0.336	24%	0.237	S	C	.	.	S	Bend	trans	-88.5	140.3	174.2	-63	-176.2	0.7	0	0	111	A94 N95 I96 V100 A212	A94-Q98 PolarHBondContact O-NE2 2.83Å; N95-Q98 WeakPolarHBondContact O-CB 3.17Å; N95-Q98 PolarHBondContact O-N 3.2Å; N95-Q98 VanDerWaalsContact O-N 3.12Å; I96-Q98 PolarHBondContact O-N 3.47Å; Q98-V100 HydrophobicContact CB-CG2 4.38Å; Q98-V100 PolarHBondContact O-N 3.24Å; Q98-A212 WeakPolarHBondContact O-CA 3.3Å
99	L	83.3	Confident	85.6	Confident	23 Å²	23	44.9 Å²	44.9	12%	0.12	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	121.5	167.7	-174.2	61.7	0	0	0	109.5	I79 Y82 T210 G211	I79-L99 HydrophobicContact CD1-CD1 4.45Å; I79-L99 HydrophobicContact CD1-CD2 3.56Å; I79-L99 HydrophobicContact CG2-CD2 4.32Å; Y82-L99 HydrophobicContact CD1-CG 4.27Å; Y82-L99 HydrophobicContact CD2-CD2 3.8Å; Y82-L99 HydrophobicContact CD2-CG 4.36Å; Y82-L99 HydrophobicContact CE1-CB 4.48Å; Y82-L99 HydrophobicContact CE1-CG 4.15Å; Y82-L99 WeakPolarHBondContact CE1-O 3.22Å; Y82-L99 HydrophobicContact CE2-CD2 3.82Å; Y82-L99 HydrophobicContact CE2-CG 4.3Å; Y82-L99 HydrophobicContact CG-CD2 4.2Å; Y82-L99 HydrophobicContact CG-CG 4.36Å; Y82-L99 PolarHBondContact OH-O 3.42Å; L99-T210 HydrophobicContact CD1-CG2 3.76Å; L99-T210 HydrophobicContact CG-CG2 4.37Å; L99-G211 CarbonylContact C-O 3.47Å; L99-G211 WeakPolarHBondContact CA-O 3.3Å; L99-G211 WeakPolarHBondContact CD1-O 3.48Å
100	V	88.5	Confident	85.5	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.012	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	147.2	179.4	177.2	0	0	0	0	108.2	K86 L91 Q98 I102 G211 F264	K86-V100 HydrophobicContact CB-CG1 3.69Å; K86-V100 HydrophobicContact CD-CG1 3.82Å; K86-V100 HydrophobicContact CD-CG2 4.24Å; K86-V100 HydrophobicContact CG-CG1 3.85Å; L91-V100 HydrophobicContact CD2-CG1 4.27Å; Q98-V100 HydrophobicContact CB-CG2 4.38Å; Q98-V100 PolarHBondContact O-N 3.24Å; V100-I102 HydrophobicContact CG1-CG2 4.01Å; V100-G211 PolarHBondContact N-O 3.15Å; V100-G211 PolarHBondContact O-N 2.76Å; V100-F264 WeakPolarHBondContact O-CZ 3.21Å
101	S	89.5	Confident	85.3	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	129.5	168.5	-178.7	0	0	0	0	109.7	R84 M85 K86 R208 F209	R84-S101 PolarHBondContact O-N 3.44Å; R84-S101 VanDerWaalsContact O-N 3.13Å; M85-S101 CarbonylContact C-O 3.48Å; M85-S101 WeakPolarHBondContact CA-O 3.33Å; M85-S101 WeakPolarHBondContact SD-CB 3.23Å; M85-S101 PolarHBondContact SD-OG 3.19Å; K86-S101 PolarHBondContact N-O 3.37Å; S101-R208 WeakPolarHBondContact OG-CD 3.37Å; S101-R208 WeakPolarHBondContact OG-CG 3.46Å; S101-F209 CarbonylContact C-O 3.46Å; S101-F209 WeakPolarHBondContact CA-O 3.26Å
102	I	90.9	Very high	85.5	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	150.3	179.5	65.3	175	0	0	0	110.1	L91 V100 I173 R208 F209 F264	L91-I102 HydrophobicContact CD1-CG2 4.15Å; L91-I102 HydrophobicContact CD2-CG2 3.93Å; L91-I102 HydrophobicContact CG-CG2 4.44Å; V100-I102 HydrophobicContact CG1-CG2 4.01Å; I102-I173 HydrophobicContact CD1-CD1 3.63Å; I102-I173 HydrophobicContact CG1-CD1 4.41Å; I102-R208 CarbonylContact O-C 3.52Å; I102-R208 WeakPolarHBondContact O-CA 3.15Å; I102-F209 HydrophobicContact CD1-CB 4.34Å; I102-F209 HydrophobicContact CG1-CB 3.73Å; I102-F209 HydrophobicContact CG1-CD2 4.33Å; I102-F209 HydrophobicContact CG1-CG 4.41Å; I102-F209 PolarHBondContact N-O 2.84Å; I102-F209 PolarHBondContact O-N 2.87Å; I102-F264 HydrophobicContact CD1-CB 4.21Å; I102-F264 HydrophobicContact CD1-CD1 3.54Å; I102-F264 HydrophobicContact CD1-CD2 3.82Å; I102-F264 HydrophobicContact CD1-CE1 3.74Å; I102-F264 HydrophobicContact CD1-CE2 4Å; I102-F264 HydrophobicContact CD1-CG 3.57Å; I102-F264 HydrophobicContact CD1-CZ 3.95Å; I102-F264 HydrophobicContact CG1-CD1 4.18Å; I102-F264 HydrophobicContact CG1-CE1 3.85Å; I102-F264 HydrophobicContact CG1-CE2 4.25Å; I102-F264 HydrophobicContact CG1-CZ 3.87Å; I102-F264 HydrophobicContact CG2-CE2 4.03Å; I102-F264 HydrophobicContact CG2-CZ 4.27Å
103	H	88.9	Confident	85.6	Confident	31 Å²	31	45.7 Å²	45.7	14%	0.144	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	133.2	176.2	-171	43.5	0	0	0	109.7	M85 L88 M176 F207 S272	M85-H103 HydrophobicContact CE-CB 4.02Å; L88-H103 WeakPolarHBondContact CD1-O 3.25Å; H103-M176 WeakPolarHBondContact CE1-CE 3Å; H103-M176 WeakPolarHBondContact NE2-CE 3.4Å; H103-F207 PolarHBondContact ND1-O 3.44Å; H103-S272 WeakPolarHBondContact CE1-CB 3.44Å; H103-S272 PolarHBondContact CE1-OG 3.29Å; H103-S272 VanDerWaalsContact CE1-OG 3.27Å
104	G	87.8	Confident	85.9	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	159.3	179.9	0	0	0	0	0	112.5	Q174 M176 F207	G104-Q174 CarbonylContact C-O 3.6Å; G104-Q174 VanDerWaalsContact CA-O 3.28Å; G104-Q174 WeakPolarHBondContact CA-O 3.49Å; G104-M176 WeakPolarHBondContact O-CE 3.42Å; G104-F207 PolarHBondContact N-O 2.97Å; G104-F207 VanDerWaalsContact N-O 3.17Å; G104-F207 PolarHBondContact O-N 2.92Å; G104-F207 VanDerWaalsContact O-N 3.09Å
105	Q	86.5	Confident	86	Confident	41 Å²	41	43.7 Å²	43.7	19%	0.192	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	134.4	172	-171.8	174	12	0	0	109.4	V107 I173 Q174 M176 G204 D205	Q105-V107 PolarHBondContact O-N 3.34Å; Q105-I173 CarbonylContact O-C 3.6Å; Q105-I173 VanDerWaalsContact O-CA 3.22Å; Q105-I173 WeakPolarHBondContact O-CA 3.42Å; Q105-Q174 PolarHBondContact N-O 3.05Å; Q105-Q174 PolarHBondContact O-N 2.9Å; Q105-M176 HydrophobicContact CB-CE 4.33Å; Q105-M176 HydrophobicContact CB-SD 3.89Å; Q105-G204 WeakPolarHBondContact CG-O 3.41Å; Q105-G204 PolarHBondContact NE2-O 3.09Å; Q105-D205 CarbonylContact C-O 3.59Å; Q105-D205 WeakPolarHBondContact CA-O 3.41Å
106	V	87.1	Confident	86.3	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	123.3	174.8	178.5	0	0	0	0	109	T109 V171 I173 C201 Q202 G204 D205 F207 F209	V106-T109 HydrophobicContact CG1-CG2 3.77Å; V106-V171 HydrophobicContact CB-CG1 4.32Å; V106-V171 HydrophobicContact CG1-CG1 3.43Å; V106-V171 VanDerWaalsContact CG1-CG1 3.43Å; V106-V171 HydrophobicContact CG2-CG1 4.05Å; V106-I173 HydrophobicContact CG2-CG2 4.3Å; V106-C201 HydrophobicContact CG2-CB 4.2Å; V106-Q202 WeakPolarHBondContact CB-O 3.24Å; V106-G204 PolarHBondContact O-N 3.12Å; V106-D205 PolarHBondContact N-O 3.36Å; V106-F207 HydrophobicContact CG2-CD2 3.96Å; V106-F209 HydrophobicContact CG2-CZ 3.87Å
107	V	83.8	Confident	86.1	Confident	59 Å²	59	42.3 Å²	42.3	36%	0.358	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-48.2	178.4	-174.2	0	0	0	0	110.7	Q105 R172 Q174	Q105-V107 PolarHBondContact O-N 3.34Å; V107-R172 PolarHBondContact N-O 3.33Å; V107-Q174 HydrophobicContact CG2-CB 3.47Å; V107-Q174 VanDerWaalsContact CG2-CB 3.47Å; V107-Q174 HydrophobicContact CG2-CG 4.48Å
108	R	80.6	Confident	86.5	Confident	68 Å²	68	43.8 Å²	43.8	26%	0.257	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	138.7	-177.5	-59.5	-174.3	-176.3	157.8	1.7	110.3	R172 D403 E412	R108-R172 HydrophobicContact CB-CB 4.4Å; R108-R172 PolarHBondContact N-O 3.3Å; R108-R172 PolarHBondContact O-N 3.36Å; R108-D403 IonicContact NH1-OD1 3.23Å; R108-E412 IonicContact CZ-OE1 2.81Å; R108-E412 IonicContact NE-OE1 3.09Å; R108-E412 PolarHBondContact NE-OE1 3.35Å; R108-E412 IonicContact NH2-OE1 3.42Å; R108-E412 PolarHBondContact NH2-OE1 3.13Å
109	T	84.2	Confident	86.8	Confident	48 Å²	48	40.4 Å²	40.4	29%	0.294	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	134.4	170.7	50.3	0	0	0	0	108.4	V106 V171 C201	V106-T109 HydrophobicContact CG1-CG2 3.77Å; T109-V171 HydrophobicContact CG2-CG1 4.22Å; T109-V171 HydrophobicContact CG2-CG2 4.19Å; T109-C201 HydrophobicContact CG2-CB 4.49Å
110	Y	85.5	Confident	87.1	Confident	38 Å²	38	42.1 Å²	42.1	15%	0.149	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-93.1	163.3	173.4	-66.3	-98.8	0	0	0	109.9	Q169 K170	Y110-Q169 PolarHBondContact O-NE2 3.27Å; Y110-Q169 VanDerWaalsContact O-NE2 3.09Å; Y110-K170 WeakPolarHBondContact CB-O 3.48Å; Y110-K170 HydrophobicContact CD2-CB 3.94Å; Y110-K170 HydrophobicContact CD2-CD 4.11Å; Y110-K170 HydrophobicContact CD2-CG 3.92Å; Y110-K170 VanDerWaalsContact CD2-O 3.31Å; Y110-K170 WeakPolarHBondContact CD2-O 3.19Å; Y110-K170 HydrophobicContact CE2-CD 4.06Å; Y110-K170 HydrophobicContact CE2-CG 4.16Å; Y110-K170 HydrophobicContact CG-CB 4.26Å; Y110-K170 PolarHBondContact N-O 2.76Å
111	Q	85.3	Confident	87.2	Confident	133 Å²	133	42 Å²	42	62%	0.621	21%	0.205	S	C	*	.	P	Polyproline II helix	trans	-63.1	148.6	174.1	-64.1	-177	7.1	0	0	111.1	H113	Q111-H113 PolarHBondContact O-ND1 2.91Å
112	V	89.7	Confident	87.3	Confident	47 Å²	47	43.6 Å²	43.6	29%	0.285	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-71.3	131.4	177.9	-176.9	0	0	0	0	109.7	D167 Q169 V198 E199	V112-D167 HydrophobicContact CG1-CB 4.03Å; V112-Q169 HydrophobicContact CG2-CG 4.49Å; V112-V198 HydrophobicContact CB-CG1 4.14Å; V112-V198 HydrophobicContact CG1-CG1 3.68Å; V112-V198 HydrophobicContact CG2-CG1 3.33Å; V112-E199 HydrophobicContact CG2-CG 3.79Å
113	H	88.7	Confident	87.2	Confident	107 Å²	107	43.6 Å²	43.6	50%	0.495	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	139.2	176.6	-73.1	77.3	0	0	0	110.1	Q111 E115 F168	Q111-H113 PolarHBondContact O-ND1 2.91Å; H113-E115 PolarHBondContact O-N 2.92Å; H113-F168 PolarHBondContact N-O 2.96Å; H113-F168 WeakPolarHBondContact O-CA 3.09Å; H113-F168 WeakPolarHBondContact O-CB 3.38Å; H113-F168 PolarHBondContact O-N 2.78Å
114	P	90.4	Very high	87.1	Confident	93 Å²	93	46 Å²	46	60%	0.604	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	121.5	172.7	28.9	-32.3	0	0	0	110.2
115	E	87.9	Confident	86.9	Confident	30 Å²	30	50.8 Å²	50.8	14%	0.14	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	130.3	175.1	-177.5	177.6	-160	0	0	110	H113 Y117 F165 T166 F168 R194	H113-E115 PolarHBondContact O-N 2.92Å; E115-Y117 PolarHBondContact O-N 3.1Å; E115-F165 CarbonylContact O-C 3.52Å; E115-F165 VanDerWaalsContact O-CA 3.23Å; E115-F165 WeakPolarHBondContact O-CA 3.41Å; E115-T166 WeakPolarHBondContact CA-O 3.34Å; E115-T166 WeakPolarHBondContact CB-O 3.37Å; E115-T166 PolarHBondContact N-O 2.85Å; E115-T166 PolarHBondContact O-N 3.12Å; E115-F168 HydrophobicContact CB-CB 3.74Å; E115-R194 VanDerWaalsContact CD-NH2 3.3Å; E115-R194 IonicContact OE1-CZ 3.7Å; E115-R194 IonicContact OE1-NE 3.91Å; E115-R194 IonicContact OE1-NH2 2.76Å; E115-R194 PolarHBondContact OE1-NH2 3.3Å; E115-R194 IonicContact OE2-CZ 3.28Å; E115-R194 VanDerWaalsContact OE2-CZ 3.28Å; E115-R194 IonicContact OE2-NE 2.75Å; E115-R194 PolarHBondContact OE2-NE 2.98Å; E115-R194 IonicContact OE2-NH2 3.11Å; E115-R194 PolarHBondContact OE2-NH2 3.1Å; E115-R194 VanDerWaalsContact OE2-NH2 3.11Å
116	L	88.6	Confident	86.8	Confident	26 Å²	26	50.7 Å²	50.7	14%	0.136	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	110.2	171	178.5	68.9	0	0	0	108.7	Q135 Y139 L158 F165	L116-Q135 HydrophobicContact CD2-CG 3.83Å; L116-Q135 HydrophobicContact CG-CG 3.87Å; L116-Q135 VanDerWaalsContact O-CB 3.23Å; L116-Q135 WeakPolarHBondContact O-CB 3.22Å; L116-Y139 HydrophobicContact CD2-CD2 4.43Å; L116-Y139 HydrophobicContact CD2-CE2 4.3Å; L116-L158 HydrophobicContact CD2-CD1 3.92Å; L116-L158 HydrophobicContact CD2-CD2 3.81Å; L116-F165 HydrophobicContact CB-CD1 4.14Å; L116-F165 HydrophobicContact CB-CE1 3.96Å; L116-F165 HydrophobicContact CD1-CD1 4.07Å; L116-F165 HydrophobicContact CD1-CE1 3.59Å; L116-F165 HydrophobicContact CD1-CE2 4.44Å; L116-F165 HydrophobicContact CD1-CZ 3.79Å; L116-F165 HydrophobicContact CG-CE1 4.36Å
117	Y	82.4	Confident	86.7	Confident	34 Å²	34	56.7 Å²	56.7	13%	0.133	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-50.4	-178.6	-178.3	-101.5	0	0	0	112.2	E45 E115 Q135 I164 T166	E45-Y117 WeakPolarHBondContact OE1-CE2 3.48Å; E115-Y117 PolarHBondContact O-N 3.1Å; Y117-Q135 PolarHBondContact O-N 3.19Å; Y117-I164 PolarHBondContact N-O 2.86Å; Y117-T166 HydrophobicContact CG-CG2 4.42Å
118	R	85.7	Confident	86.8	Confident	67 Å²	67	55.8 Å²	55.8	25%	0.253	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	118.9	173.4	-75.2	-175.6	-169	166.7	7.1	109.3	D49 I164	D49-R118 IonicContact OD1-CZ 3.9Å; D49-R118 IonicContact OD1-NH2 2.91Å; D49-R118 PolarHBondContact OD1-NH2 3.11Å; D49-R118 IonicContact OD2-NH2 3.07Å; D49-R118 PolarHBondContact OD2-NH2 2.76Å; D49-R118 VanDerWaalsContact OD2-NH2 3.07Å; R118-I164 PolarHBondContact N-O 2.84Å; R118-I164 PolarHBondContact O-N 3.03Å
119	G	87.1	Confident	87.1	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	132.3	177	0	0	0	0	0	111.4	F121 V133	G119-F121 WeakPolarHBondContact O-CD2 3.28Å; G119-V133 PolarHBondContact N-O 2.75Å; G119-V133 PolarHBondContact O-N 3.48Å; G119-V133 VanDerWaalsContact O-N 3.17Å
120	Y	90.5	Very high	87.2	Confident	60 Å²	60	53.9 Å²	53.9	24%	0.235	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	124.1	167.2	-74.7	-106.9	0	0	0	108	V129 I130 D131 D159 L162 S163 I164	Y120-V129 HydrophobicContact CD1-CG1 4.09Å; Y120-I130 WeakPolarHBondContact CA-O 3.36Å; Y120-D131 HydrophobicContact CD1-CB 4.02Å; Y120-D131 HydrophobicContact CE1-CB 3.66Å; Y120-D159 PolarHBondContact O-N 3.17Å; Y120-L162 HydrophobicContact CD1-CB 3.97Å; Y120-L162 HydrophobicContact CD1-CD1 4.44Å; Y120-L162 HydrophobicContact CD2-CB 3.98Å; Y120-L162 WeakPolarHBondContact CD2-O 3.34Å; Y120-L162 WeakPolarHBondContact CE2-O 3.24Å; Y120-L162 HydrophobicContact CG-CB 3.62Å; Y120-S163 PolarHBondContact N-OG 3.03Å; Y120-I164 HydrophobicContact CE2-CD1 4.08Å; Y120-I164 HydrophobicContact CE2-CG1 4.18Å
121	F	90.9	Very high	87	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	121.3	-172.9	-72.1	-88.1	0	0	0	110.3	G119 I130 V133 Y139 T140 Q141 P142 F156 L158	G119-F121 WeakPolarHBondContact O-CD2 3.28Å; F121-I130 HydrophobicContact CB-CB 4.32Å; F121-I130 PolarHBondContact N-O 2.89Å; F121-I130 WeakPolarHBondContact O-CB 3.2Å; F121-I130 PolarHBondContact O-N 2.66Å; F121-V133 HydrophobicContact CD2-CB 3.8Å; F121-V133 HydrophobicContact CD2-CG1 4.38Å; F121-V133 HydrophobicContact CD2-CG2 3.72Å; F121-V133 HydrophobicContact CE2-CB 3.69Å; F121-V133 HydrophobicContact CE2-CG1 3.94Å; F121-V133 HydrophobicContact CE2-CG2 4.12Å; F121-Y139 HydrophobicContact CE1-CE2 4.29Å; F121-Y139 AromaticContact CE1-CZ 3.92Å; F121-Y139 WeakPolarHBondContact CE1-OH 3.5Å; F121-Y139 HydrophobicContact CZ-CE2 4.17Å; F121-T140 WeakPolarHBondContact CZ-O 3.34Å; F121-Q141 HydrophobicContact CE1-CG 4.12Å; F121-P142 HydrophobicContact CB-CG 3.9Å; F121-P142 HydrophobicContact CD2-CG 4.23Å; F121-P142 HydrophobicContact CG-CG 3.99Å; F121-F156 HydrophobicContact CB-CB 4.22Å; F121-F156 HydrophobicContact CD1-CB 3.94Å; F121-F156 HydrophobicContact CG-CB 4.45Å; F121-L158 HydrophobicContact CD1-CB 4.35Å; F121-L158 HydrophobicContact CD1-CD1 4.22Å; F121-L158 HydrophobicContact CD2-CD1 4.43Å; F121-L158 HydrophobicContact CE1-CB 4.19Å; F121-L158 HydrophobicContact CE1-CD1 3.85Å; F121-L158 HydrophobicContact CE2-CD1 4.06Å; F121-L158 HydrophobicContact CZ-CD1 3.77Å
122	T	90	Very high	86.6	Confident	32 Å²	32	52.7 Å²	52.7	20%	0.196	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	124.5	171.6	54.9	0	0	0	0	109.6	V124 V129 K157 D159	T122-V124 PolarHBondContact O-N 3.24Å; T122-V129 HydrophobicContact CG2-CG2 4.19Å; T122-K157 PolarHBondContact N-O 3.1Å; T122-K157 PolarHBondContact O-N 3Å; T122-K157 WeakPolarHBondContact OG1-CB 3.41Å; T122-K157 PolarHBondContact OG1-O 2.95Å; T122-D159 HydrophobicContact CG2-CB 4.19Å
123	C	88.7	Confident	86.2	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	127.4	172.7	-176.5	0	0	0	0	109.7	E125 C126 N127 T128 C150 N152 F156	C123-E125 VanDerWaalsContact C-N 3.26Å; C123-E125 PolarHBondContact O-N 3.28Å; C123-C126 WeakPolarHBondContact CB-SG 3.41Å; C123-C126 PolarHBondContact SG-SG 3.05Å; C123-N127 WeakPolarHBondContact O-CA 3.35Å; C123-N127 PolarHBondContact O-N 3.02Å; C123-T128 PolarHBondContact N-O 3.44Å; C123-C150 VanDerWaalsContact SG-SG 3.64Å; C123-N152 PolarHBondContact SG-ND2 3.02Å; C123-F156 HydrophobicContact CB-CD1 4.29Å; C123-F156 HydrophobicContact CB-CE1 4.18Å
124	V	88.2	Confident	85.9	Confident	83 Å²	83	48.9 Å²	48.9	50%	0.503	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-24.9	-178	177.7	0	0	0	0	112.6	T122 K155 K157	T122-V124 PolarHBondContact O-N 3.24Å; V124-K155 HydrophobicContact CB-CB 4.12Å; V124-K155 HydrophobicContact CG2-CB 4.19Å; V124-K155 WeakPolarHBondContact CG2-O 3.46Å; V124-K155 PolarHBondContact N-O 3.38Å; V124-K157 HydrophobicContact CG2-CB 4.31Å
125	E	84.1	Confident	85.4	Confident	99 Å²	99	45.2 Å²	45.2	46%	0.463	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-45.9	-175.5	-67.4	-176.7	-176.8	0	0	113.2	C123 N152	C123-E125 VanDerWaalsContact C-N 3.26Å; C123-E125 PolarHBondContact O-N 3.28Å; E125-N152 HydrophobicContact CB-CB 4.46Å; E125-N152 HydrophobicContact CG-CB 4.25Å; E125-N152 WeakPolarHBondContact OE2-CB 3.08Å
126	C	84.3	Confident	84.7	Confident	39 Å²	39	50.4 Å²	50.4	26%	0.264	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-1.7	-177	59.2	0	0	0	0	113.9	C123 T128 C145 C150	C123-C126 WeakPolarHBondContact CB-SG 3.41Å; C123-C126 PolarHBondContact SG-SG 3.05Å; C126-T128 HydrophobicContact CB-CG2 4.4Å; C126-T128 PolarHBondContact O-N 2.89Å; C126-T128 PolarHBondContact SG-OG1 3.09Å; C126-C145 PolarHBondContact SG-SG 3.07Å; C126-C150 HydrophobicContact CB-CB 4.17Å; C126-C150 VanDerWaalsContact SG-SG 3.62Å
127	N	84.5	Confident	83.8	Confident	128 Å²	128	52 Å²	52	68%	0.684	28%	0.281	S	S	*	.			trans	55.3	14.9	-176.9	-63.6	-35.8	0	0	0	115	C123	C123-N127 WeakPolarHBondContact O-CA 3.35Å; C123-N127 PolarHBondContact O-N 3.02Å
128	T	86.3	Confident	83.5	Confident	39 Å²	39	55.5 Å²	55.5	24%	0.239	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-74	135.6	174.3	58.1	0	0	0	0	110	C123 C126 C145 N147	C123-T128 PolarHBondContact N-O 3.44Å; C126-T128 HydrophobicContact CB-CG2 4.4Å; C126-T128 PolarHBondContact O-N 2.89Å; C126-T128 PolarHBondContact SG-OG1 3.09Å; T128-C145 PolarHBondContact OG1-SG 3.09Å; T128-N147 HydrophobicContact CG2-CB 4.21Å
129	V	86.4	Confident	83.4	Confident	68 Å²	68	57.8 Å²	57.8	41%	0.412	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	121.9	173.3	-170.2	0	0	0	0	107.6	Y120 T122 L162	Y120-V129 HydrophobicContact CD1-CG1 4.09Å; T122-V129 HydrophobicContact CG2-CG2 4.19Å; V129-L162 HydrophobicContact CG1-CD1 4.14Å
130	I	85.8	Confident	83.2	Confident	9 Å²	9	60.6 Å²	60.6	5%	0.046	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	119.1	169.5	-57	170.3	0	0	0	106.2	Y120 F121 V133 P142 T146 F156	Y120-I130 WeakPolarHBondContact CA-O 3.36Å; F121-I130 HydrophobicContact CB-CB 4.32Å; F121-I130 PolarHBondContact N-O 2.89Å; F121-I130 WeakPolarHBondContact O-CB 3.2Å; F121-I130 PolarHBondContact O-N 2.66Å; I130-V133 HydrophobicContact CG2-CG2 3.89Å; I130-P142 HydrophobicContact CD1-CB 4.06Å; I130-P142 HydrophobicContact CD1-CG 3.73Å; I130-P142 HydrophobicContact CG2-CB 4.38Å; I130-T146 HydrophobicContact CG1-CG2 4.21Å; I130-T146 HydrophobicContact CG2-CG2 4.13Å; I130-F156 HydrophobicContact CD1-CD1 3.74Å; I130-F156 HydrophobicContact CD1-CE1 3.42Å; I130-F156 VanDerWaalsContact CD1-CE1 3.42Å; I130-F156 HydrophobicContact CD1-CZ 4.23Å
131	D	82.6	Confident	82.9	Confident	114 Å²	114	61.5 Å²	61.5	61%	0.61	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	144.4	-176.3	55.7	-27.7	0	0	0	112.2	Y120 V133	Y120-D131 HydrophobicContact CD1-CB 4.02Å; Y120-D131 HydrophobicContact CE1-CB 3.66Å; D131-V133 PolarHBondContact O-N 3.22Å
132	G	75.2	Confident	82.6	Confident	31 Å²	31	62.2 Å²	62.2	32%	0.32	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	71.1	25.5	159	0	0	0	0	0	117.5	A134	G132-A134 PolarHBondContact O-N 2.6Å
133	V	82.8	Confident	82.2	Confident	26 Å²	26	68 Å²	68	16%	0.158	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	105.2	175.6	-177.4	0	0	0	0	109.5	G119 F121 I130 D131 Q135 P142	G119-V133 PolarHBondContact N-O 2.75Å; G119-V133 PolarHBondContact O-N 3.48Å; G119-V133 VanDerWaalsContact O-N 3.17Å; F121-V133 HydrophobicContact CD2-CB 3.8Å; F121-V133 HydrophobicContact CD2-CG1 4.38Å; F121-V133 HydrophobicContact CD2-CG2 3.72Å; F121-V133 HydrophobicContact CE2-CB 3.69Å; F121-V133 HydrophobicContact CE2-CG1 3.94Å; F121-V133 HydrophobicContact CE2-CG2 4.12Å; I130-V133 HydrophobicContact CG2-CG2 3.89Å; D131-V133 PolarHBondContact O-N 3.22Å; V133-Q135 PolarHBondContact O-NE2 3.3Å; V133-P142 HydrophobicContact CG2-CB 4.14Å; V133-P142 HydrophobicContact CG2-CG 4.38Å
134	A	82.1	Confident	82	Confident	49 Å²	49	74 Å²	74	41%	0.405	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	137.1	177.5	0	0	0	0	0	111.1	G132	G132-A134 PolarHBondContact O-N 2.6Å
135	Q	79.2	Confident	81.7	Confident	15 Å²	15	70.3 Å²	70.3	7%	0.07	37%	0.37	C	S	.	.			trans	-106.8	101.9	178.4	-56.7	-62.8	-49.6	0	0	108.8	L116 Y117 V133 F137 K138 T140	L116-Q135 HydrophobicContact CD2-CG 3.83Å; L116-Q135 HydrophobicContact CG-CG 3.87Å; L116-Q135 VanDerWaalsContact O-CB 3.23Å; L116-Q135 WeakPolarHBondContact O-CB 3.22Å; Y117-Q135 PolarHBondContact O-N 3.19Å; V133-Q135 PolarHBondContact O-NE2 3.3Å; Q135-F137 PolarHBondContact O-N 3.01Å; Q135-K138 PolarHBondContact OE1-O 3.5Å; Q135-T140 PolarHBondContact NE2-O 2.8Å; Q135-T140 PolarHBondContact OE1-O 3.12Å
136	E	72.7	Confident	81.7	Confident	140 Å²	140	69.9 Å²	69.9	65%	0.654	37%	0.374	S	S	*	.			trans	-93.7	87.5	-180	-66.7	179.4	-178.3	0	0	110	K138	E136-K138 PolarHBondContact O-N 3.43Å
137	F	70.7	Confident	81.7	Confident	60 Å²	60	70.3 Å²	70.3	26%	0.263	37%	0.373	S	S	.	.	S	Bend	trans	53.4	6.2	177.2	-56.1	-71.2	0	0	0	116.4	Q135 I192 I214	Q135-F137 PolarHBondContact O-N 3.01Å; F137-I192 HydrophobicContact CE1-CD1 4.38Å; F137-I214 HydrophobicContact CE1-CD1 3.99Å; F137-I214 HydrophobicContact CE2-CD1 3.86Å; F137-I214 HydrophobicContact CZ-CD1 3.38Å
138	K	76.9	Confident	81.6	Confident	106 Å²	106	69.5 Å²	69.5	46%	0.461	38%	0.378	S	S	.	.	S	Bend	trans	-144.6	139.5	178.3	179.2	-175	173.6	-173.5	0	108.3	Q135 E136 T140	Q135-K138 PolarHBondContact OE1-O 3.5Å; E136-K138 PolarHBondContact O-N 3.43Å; K138-T140 PolarHBondContact O-N 3.31Å; K138-T140 PolarHBondContact O-OG1 3.08Å
139	Y	83.1	Confident	81.5	Confident	115 Å²	115	74.6 Å²	74.6	45%	0.451	40%	0.402	S	S	.	.			trans	-63	108.5	169.1	-173.1	-105.9	0	0	0	110.5	L116 F121 Q141 L158	L116-Y139 HydrophobicContact CD2-CD2 4.43Å; L116-Y139 HydrophobicContact CD2-CE2 4.3Å; F121-Y139 HydrophobicContact CE1-CE2 4.29Å; F121-Y139 AromaticContact CE1-CZ 3.92Å; F121-Y139 WeakPolarHBondContact CE1-OH 3.5Å; F121-Y139 HydrophobicContact CZ-CE2 4.17Å; Y139-Q141 HydrophobicContact CD1-CG 4.28Å; Y139-Q141 HydrophobicContact CE1-CG 3.62Å; Y139-L158 HydrophobicContact CE2-CD2 4.35Å
140	T	83.4	Confident	81.2	Confident	59 Å²	59	72 Å²	72	36%	0.362	39%	0.387	S	S	.	.			trans	-115.9	114.1	-175.4	-54.5	0	0	0	0	108.4	F121 Q135 K138	F121-T140 WeakPolarHBondContact CZ-O 3.34Å; Q135-T140 PolarHBondContact NE2-O 2.8Å; Q135-T140 PolarHBondContact OE1-O 3.12Å; K138-T140 PolarHBondContact O-N 3.31Å; K138-T140 PolarHBondContact O-OG1 3.08Å
141	Q	84.1	Confident	81.1	Confident	80 Å²	80	76.7 Å²	76.7	37%	0.374	42%	0.418	S	S	.	.			trans	-84.1	148.5	171.5	-66.7	179.3	-18.2	0	0	109.7	F121 Y139	F121-Q141 HydrophobicContact CE1-CG 4.12Å; Y139-Q141 HydrophobicContact CD1-CG 4.28Å; Y139-Q141 HydrophobicContact CE1-CG 3.62Å
142	P	83.3	Confident	81	Confident	15 Å²	15	71.5 Å²	71.5	10%	0.097	39%	0.39	C	S	.	.			trans	-62.2	141.5	174.9	24.2	-30.4	0	0	0	110.4	F121 I130 V133 F156	F121-P142 HydrophobicContact CB-CG 3.9Å; F121-P142 HydrophobicContact CD2-CG 4.23Å; F121-P142 HydrophobicContact CG-CG 3.99Å; I130-P142 HydrophobicContact CD1-CB 4.06Å; I130-P142 HydrophobicContact CD1-CG 3.73Å; I130-P142 HydrophobicContact CG2-CB 4.38Å; V133-P142 HydrophobicContact CG2-CB 4.14Å; V133-P142 HydrophobicContact CG2-CG 4.38Å; P142-F156 HydrophobicContact CG-CB 4.2Å; P142-F156 HydrophobicContact CG-CD1 3.84Å; P142-F156 HydrophobicContact CG-CD2 3.74Å; P142-F156 HydrophobicContact CG-CE1 4.14Å; P142-F156 HydrophobicContact CG-CE2 4.03Å; P142-F156 HydrophobicContact CG-CG 3.63Å; P142-F156 HydrophobicContact CG-CZ 4.22Å; P142-F156 VanDerWaalsContact O-CD2 3.28Å; P142-F156 WeakPolarHBondContact O-CD2 3.41Å; P142-F156 WeakPolarHBondContact O-CE2 3.42Å
143	L	81.8	Confident	81.3	Confident	153 Å²	153	78.3 Å²	78.3	80%	0.801	41%	0.406	S	S	*	.	S	Bend	trans	-82.8	-20.9	-178	-65.7	174.3	0	0	0	113.2
144	Q	84.3	Confident	81.2	Confident	127 Å²	127	81.9 Å²	81.9	59%	0.593	43%	0.428	S	S	*	.	S	Bend	trans	-147.7	144.9	-178.6	-175	174.6	-5.5	0	0	109.6
145	C	83.3	Confident	81.3	Confident	5 Å²	5	85.4 Å²	85.4	3%	0.034	43%	0.434	C	S	.	.			trans	-70.6	143.6	172.3	-169.2	0	0	0	0	111.4	C126 T128 N147 C150 F156	C126-C145 PolarHBondContact SG-SG 3.07Å; T128-C145 PolarHBondContact OG1-SG 3.09Å; C145-N147 PolarHBondContact O-N 2.71Å; C145-C150 HydrophobicContact CB-CB 4.01Å; C145-F156 HydrophobicContact CB-CE1 4.27Å; C145-F156 HydrophobicContact CB-CZ 4.47Å
146	T	84	Confident	81.7	Confident	89 Å²	89	85.3 Å²	85.3	55%	0.546	43%	0.434	S	S	.	.	S	Bend	trans	-61.2	-27	173.6	46.8	0	0	0	0	112.8	I130 S148	I130-T146 HydrophobicContact CG1-CG2 4.21Å; I130-T146 HydrophobicContact CG2-CG2 4.13Å; T146-S148 PolarHBondContact O-N 3.14Å
147	N	82.6	Confident	82.5	Confident	48 Å²	48	85.5 Å²	85.5	26%	0.257	43%	0.432	S	S	.	.	S	Bend	trans	-76.4	115.3	175.3	-168.7	-10.7	0	0	0	110.1	T128 C145 I149 C150	T128-N147 HydrophobicContact CG2-CB 4.21Å; C145-N147 PolarHBondContact O-N 2.71Å; N147-I149 PolarHBondContact O-N 3.1Å; N147-I149 VanDerWaalsContact O-N 3.11Å; N147-I149 PolarHBondContact OD1-N 3.16Å; N147-C150 HydrophobicContact CB-CB 4.19Å; N147-C150 PolarHBondContact O-N 3.28Å
148	S	82.2	Confident	83.4	Confident	112 Å²	112	84.4 Å²	84.4	78%	0.783	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-21.9	-179.5	56.5	0	0	0	0	113.9	T146	T146-S148 PolarHBondContact O-N 3.14Å
149	I	84.1	Confident	84	Confident	145 Å²	145	81.5 Å²	81.5	74%	0.744	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-22.8	-179.1	-55.1	167.7	0	0	0	111.1	N147 P151	N147-I149 PolarHBondContact O-N 3.1Å; N147-I149 VanDerWaalsContact O-N 3.11Å; N147-I149 PolarHBondContact OD1-N 3.16Å; I149-P151 WeakPolarHBondContact O-CD 3.2Å
150	C	81.4	Confident	84.2	Confident	14 Å²	14	81.4 Å²	81.4	10%	0.095	43%	0.425	C	S	.	.			trans	-87.7	120.9	-171.9	-173.2	0	0	0	0	111.7	C123 C126 C145 N147 N152	C123-C150 VanDerWaalsContact SG-SG 3.64Å; C126-C150 HydrophobicContact CB-CB 4.17Å; C126-C150 VanDerWaalsContact SG-SG 3.62Å; C145-C150 HydrophobicContact CB-CB 4.01Å; N147-C150 HydrophobicContact CB-CB 4.19Å; N147-C150 PolarHBondContact O-N 3.28Å; C150-N152 VanDerWaalsContact C-N 3.25Å; C150-N152 PolarHBondContact O-N 3.37Å; C150-N152 VanDerWaalsContact SG-CB 3.53Å
151	P	83.1	Confident	84.4	Confident	107 Å²	107	89.6 Å²	89.6	70%	0.695	45%	0.45	S	S	*	.			trans	-80.5	-0	178.8	33.5	-35.5	0	0	0	113.9	I149	I149-P151 WeakPolarHBondContact O-CD 3.2Å
152	N	81	Confident	84.5	Confident	5 Å²	5	89.8 Å²	89.8	3%	0.027	45%	0.453	C	S	.	.			trans	-66.5	132.2	-175.2	-169.3	5.2	0	0	0	112.7	C123 E125 C150 T154 K155	C123-N152 PolarHBondContact SG-ND2 3.02Å; E125-N152 HydrophobicContact CB-CB 4.46Å; E125-N152 HydrophobicContact CG-CB 4.25Å; E125-N152 WeakPolarHBondContact OE2-CB 3.08Å; C150-N152 VanDerWaalsContact C-N 3.25Å; C150-N152 PolarHBondContact O-N 3.37Å; C150-N152 VanDerWaalsContact SG-CB 3.53Å; N152-T154 PolarHBondContact OD1-N 3.29Å; N152-T154 VanDerWaalsContact OD1-N 3.16Å; N152-K155 PolarHBondContact ND2-O 3.34Å; N152-K155 PolarHBondContact OD1-N 3.32Å
153	R	80.5	Confident	84.7	Confident	174 Å²	174	89.5 Å²	89.5	66%	0.657	45%	0.451	S	S	*	.	S	Bend	trans	-128.4	-5.7	178.9	-64.9	-173.8	176.7	-158.4	-3.7	114.8
154	T	80.8	Confident	84.8	Confident	102 Å²	102	84.6 Å²	84.6	63%	0.626	43%	0.425	S	S	*	.	S	Bend	trans	-136.2	-26.7	-170.8	56	0	0	0	0	113.9	N152 F156	N152-T154 PolarHBondContact OD1-N 3.29Å; N152-T154 VanDerWaalsContact OD1-N 3.16Å; T154-F156 PolarHBondContact O-N 3.37Å
155	K	84.8	Confident	84.9	Confident	122 Å²	122	82.7 Å²	82.7	53%	0.53	42%	0.415	S	S	.	.			trans	-96	76.6	-174.2	-62.2	178.5	-177.7	172.1	0	110.9	V124 N152	V124-K155 HydrophobicContact CB-CB 4.12Å; V124-K155 HydrophobicContact CG2-CB 4.19Å; V124-K155 WeakPolarHBondContact CG2-O 3.46Å; V124-K155 PolarHBondContact N-O 3.38Å; N152-K155 PolarHBondContact ND2-O 3.34Å; N152-K155 PolarHBondContact OD1-N 3.32Å
156	F	87.9	Confident	85	Confident	13 Å²	13	83.1 Å²	83.1	6%	0.057	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.9	173.5	-60.9	-71.4	0	0	0	110.2	F121 C123 I130 P142 C145 T154	F121-F156 HydrophobicContact CB-CB 4.22Å; F121-F156 HydrophobicContact CD1-CB 3.94Å; F121-F156 HydrophobicContact CG-CB 4.45Å; C123-F156 HydrophobicContact CB-CD1 4.29Å; C123-F156 HydrophobicContact CB-CE1 4.18Å; I130-F156 HydrophobicContact CD1-CD1 3.74Å; I130-F156 HydrophobicContact CD1-CE1 3.42Å; I130-F156 VanDerWaalsContact CD1-CE1 3.42Å; I130-F156 HydrophobicContact CD1-CZ 4.23Å; P142-F156 HydrophobicContact CG-CB 4.2Å; P142-F156 HydrophobicContact CG-CD1 3.84Å; P142-F156 HydrophobicContact CG-CD2 3.74Å; P142-F156 HydrophobicContact CG-CE1 4.14Å; P142-F156 HydrophobicContact CG-CE2 4.03Å; P142-F156 HydrophobicContact CG-CG 3.63Å; P142-F156 HydrophobicContact CG-CZ 4.22Å; P142-F156 VanDerWaalsContact O-CD2 3.28Å; P142-F156 WeakPolarHBondContact O-CD2 3.41Å; P142-F156 WeakPolarHBondContact O-CE2 3.42Å; C145-F156 HydrophobicContact CB-CE1 4.27Å; C145-F156 HydrophobicContact CB-CZ 4.47Å; T154-F156 PolarHBondContact O-N 3.37Å
157	K	89.5	Confident	85.3	Confident	145 Å²	145	83.1 Å²	83.1	63%	0.63	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103	121.5	176	179.5	-179	-179.6	-177.3	0	109	T122 V124 D159	T122-K157 PolarHBondContact N-O 3.1Å; T122-K157 PolarHBondContact O-N 3Å; T122-K157 WeakPolarHBondContact OG1-CB 3.41Å; T122-K157 PolarHBondContact OG1-O 2.95Å; V124-K157 HydrophobicContact CG2-CB 4.31Å; K157-D159 PolarHBondContact O-N 2.91Å
158	L	89.9	Confident	85.5	Confident	36 Å²	36	83 Å²	83	19%	0.188	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	128.3	175.3	-175.5	77.3	0	0	0	110	L116 F121 Y139 L160 S163	L116-L158 HydrophobicContact CD2-CD1 3.92Å; L116-L158 HydrophobicContact CD2-CD2 3.81Å; F121-L158 HydrophobicContact CD1-CB 4.35Å; F121-L158 HydrophobicContact CD1-CD1 4.22Å; F121-L158 HydrophobicContact CD2-CD1 4.43Å; F121-L158 HydrophobicContact CE1-CB 4.19Å; F121-L158 HydrophobicContact CE1-CD1 3.85Å; F121-L158 HydrophobicContact CE2-CD1 4.06Å; F121-L158 HydrophobicContact CZ-CD1 3.77Å; Y139-L158 HydrophobicContact CE2-CD2 4.35Å; L158-L160 HydrophobicContact CD2-CD2 3.74Å; L158-L160 HydrophobicContact CG-CD2 4.46Å; L158-S163 WeakPolarHBondContact CD1-OG 3.15Å
159	D	88.8	Confident	85.8	Confident	45 Å²	45	78.1 Å²	78.1	24%	0.241	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	106.7	170.3	-171.4	-7.7	0	0	0	109.8	Y120 T122 K157 R161 S163	Y120-D159 PolarHBondContact O-N 3.17Å; T122-D159 HydrophobicContact CG2-CB 4.19Å; K157-D159 PolarHBondContact O-N 2.91Å; D159-R161 PolarHBondContact O-N 2.89Å; D159-R161 PolarHBondContact OD1-N 3.24Å; D159-S163 WeakPolarHBondContact O-CB 3.45Å; D159-S163 PolarHBondContact O-N 3.41Å; D159-S163 PolarHBondContact O-OG 3.09Å
160	L	88.3	Confident	86.1	Confident	113 Å²	113	73.2 Å²	73.2	59%	0.592	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	-22.9	-178.2	-62	172.8	0	0	0	113.1	L158 F165	L158-L160 HydrophobicContact CD2-CD2 3.74Å; L158-L160 HydrophobicContact CG-CD2 4.46Å; L160-F165 HydrophobicContact CD2-CZ 3.84Å; L160-F165 WeakPolarHBondContact O-CE2 3.48Å
161	R	87.8	Confident	86.5	Confident	232 Å²	232	72.6 Å²	72.6	88%	0.875	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	-36.4	-175	-64.8	179.5	-179.3	167.9	-0	112.6	D159	D159-R161 PolarHBondContact O-N 2.89Å; D159-R161 PolarHBondContact OD1-N 3.24Å
162	L	85.9	Confident	86.9	Confident	84 Å²	84	69.2 Å²	69.2	44%	0.44	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-26.2	178.4	-60.3	177.8	0	0	0	111.4	Y120 V129	Y120-L162 HydrophobicContact CD1-CB 3.97Å; Y120-L162 HydrophobicContact CD1-CD1 4.44Å; Y120-L162 HydrophobicContact CD2-CB 3.98Å; Y120-L162 WeakPolarHBondContact CD2-O 3.34Å; Y120-L162 WeakPolarHBondContact CE2-O 3.24Å; Y120-L162 HydrophobicContact CG-CB 3.62Å; V129-L162 HydrophobicContact CG1-CD1 4.14Å
163	S	86.2	Confident	87.4	Confident	9 Å²	9	69 Å²	69	6%	0.063	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	140.5	175.3	-71.4	0	0	0	0	112.3	Y120 L158 D159	Y120-S163 PolarHBondContact N-OG 3.03Å; L158-S163 WeakPolarHBondContact CD1-OG 3.15Å; D159-S163 WeakPolarHBondContact O-CB 3.45Å; D159-S163 PolarHBondContact O-N 3.41Å; D159-S163 PolarHBondContact O-OG 3.09Å
164	I	84.8	Confident	87.9	Confident	49 Å²	49	63.6 Å²	63.6	25%	0.251	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	119.7	-175.4	-50.7	168.9	0	0	0	108.8	Y117 R118 Y120	Y117-I164 PolarHBondContact N-O 2.86Å; R118-I164 PolarHBondContact N-O 2.84Å; R118-I164 PolarHBondContact O-N 3.03Å; Y120-I164 HydrophobicContact CE2-CD1 4.08Å; Y120-I164 HydrophobicContact CE2-CG1 4.18Å
165	F	86.7	Confident	88.4	Confident	88 Å²	88	59 Å²	59	39%	0.386	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	150.7	-179.7	-59.3	-88	0	0	0	110.3	E115 L116 L160	E115-F165 CarbonylContact O-C 3.52Å; E115-F165 VanDerWaalsContact O-CA 3.23Å; E115-F165 WeakPolarHBondContact O-CA 3.41Å; L116-F165 HydrophobicContact CB-CD1 4.14Å; L116-F165 HydrophobicContact CB-CE1 3.96Å; L116-F165 HydrophobicContact CD1-CD1 4.07Å; L116-F165 HydrophobicContact CD1-CE1 3.59Å; L116-F165 HydrophobicContact CD1-CE2 4.44Å; L116-F165 HydrophobicContact CD1-CZ 3.79Å; L116-F165 HydrophobicContact CG-CE1 4.36Å; L160-F165 HydrophobicContact CD2-CZ 3.84Å; L160-F165 WeakPolarHBondContact O-CE2 3.48Å
166	T	85.5	Confident	88.3	Confident	14 Å²	14	53.7 Å²	53.7	9%	0.086	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	141.2	173.2	52.4	0	0	0	0	108.9	E115 Y117 F168	E115-T166 WeakPolarHBondContact CA-O 3.34Å; E115-T166 WeakPolarHBondContact CB-O 3.37Å; E115-T166 PolarHBondContact N-O 2.85Å; E115-T166 PolarHBondContact O-N 3.12Å; Y117-T166 HydrophobicContact CG-CG2 4.42Å; T166-F168 PolarHBondContact O-N 3.26Å
167	D	89.3	Confident	87.9	Confident	88 Å²	88	60 Å²	60	47%	0.471	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	133.2	177.1	-59.1	-37.8	0	0	0	110.5	V112 R194 G195 V198	V112-D167 HydrophobicContact CG1-CB 4.03Å; D167-R194 WeakPolarHBondContact O-CA 3.17Å; D167-G195 PolarHBondContact O-N 3.08Å; D167-G195 VanDerWaalsContact O-N 3.12Å; D167-V198 HydrophobicContact CB-CG2 4.28Å
168	F	88	Confident	87.4	Confident	46 Å²	46	60.4 Å²	60.4	20%	0.202	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	135.1	179.9	164.6	-82.9	0	0	0	109.3	H113 E115 T166 K170 I192	H113-F168 PolarHBondContact N-O 2.96Å; H113-F168 WeakPolarHBondContact O-CA 3.09Å; H113-F168 WeakPolarHBondContact O-CB 3.38Å; H113-F168 PolarHBondContact O-N 2.78Å; E115-F168 HydrophobicContact CB-CB 3.74Å; T166-F168 PolarHBondContact O-N 3.26Å; F168-K170 HydrophobicContact CE1-CB 4.09Å; F168-K170 HydrophobicContact CZ-CB 4.21Å; F168-I192 HydrophobicContact CD2-CG2 3.5Å; F168-I192 VanDerWaalsContact CD2-CG2 3.5Å; F168-I192 HydrophobicContact CE2-CB 3.99Å; F168-I192 HydrophobicContact CE2-CD1 3.87Å; F168-I192 HydrophobicContact CE2-CG1 3.64Å; F168-I192 HydrophobicContact CE2-CG2 3.19Å; F168-I192 HydrophobicContact CZ-CD1 4.27Å; F168-I192 HydrophobicContact CZ-CG1 3.91Å; F168-I192 HydrophobicContact CZ-CG2 4.19Å
169	Q	88.2	Confident	87	Confident	9 Å²	9	61.7 Å²	61.7	4%	0.042	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	129.8	172.1	-169.2	179.2	27.3	0	0	110.4	Y110 V112 V171 I193 V198	Y110-Q169 PolarHBondContact O-NE2 3.27Å; Y110-Q169 VanDerWaalsContact O-NE2 3.09Å; V112-Q169 HydrophobicContact CG2-CG 4.49Å; Q169-V171 HydrophobicContact CG-CG2 4.18Å; Q169-I193 PolarHBondContact N-O 3Å; Q169-I193 PolarHBondContact O-N 2.76Å; Q169-V198 HydrophobicContact CB-CB 4.41Å; Q169-V198 HydrophobicContact CB-CG1 3.92Å; Q169-V198 HydrophobicContact CB-CG2 3.97Å
170	K	89.9	Confident	86.7	Confident	43 Å²	43	62.2 Å²	62.2	19%	0.187	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	135.4	169.6	-173.1	-177.6	179	-176.1	0	108.8	Y110 F168 D190 E405	Y110-K170 WeakPolarHBondContact CB-O 3.48Å; Y110-K170 HydrophobicContact CD2-CB 3.94Å; Y110-K170 HydrophobicContact CD2-CD 4.11Å; Y110-K170 HydrophobicContact CD2-CG 3.92Å; Y110-K170 VanDerWaalsContact CD2-O 3.31Å; Y110-K170 WeakPolarHBondContact CD2-O 3.19Å; Y110-K170 HydrophobicContact CE2-CD 4.06Å; Y110-K170 HydrophobicContact CE2-CG 4.16Å; Y110-K170 HydrophobicContact CG-CB 4.26Å; Y110-K170 PolarHBondContact N-O 2.76Å; F168-K170 HydrophobicContact CE1-CB 4.09Å; F168-K170 HydrophobicContact CZ-CB 4.21Å; K170-D190 WeakPolarHBondContact CE-OD2 3.48Å; K170-D190 IonicContact NZ-OD2 3.94Å; K170-D190 PolarHBondContact NZ-OD2 2.99Å; K170-D190 VanDerWaalsContact NZ-OD2 3.09Å; K170-E405 IonicContact NZ-OE2 2.88Å; K170-E405 PolarHBondContact NZ-OE2 2.96Å
171	V	90.3	Very high	86.7	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	134.1	177.2	178.6	0	0	0	0	108.6	V106 T109 Q169 I173 V191 I193	V106-V171 HydrophobicContact CB-CG1 4.32Å; V106-V171 HydrophobicContact CG1-CG1 3.43Å; V106-V171 VanDerWaalsContact CG1-CG1 3.43Å; V106-V171 HydrophobicContact CG2-CG1 4.05Å; T109-V171 HydrophobicContact CG2-CG1 4.22Å; T109-V171 HydrophobicContact CG2-CG2 4.19Å; Q169-V171 HydrophobicContact CG-CG2 4.18Å; V171-I173 HydrophobicContact CG1-CG2 4.26Å; V171-V191 PolarHBondContact N-O 3.44Å; V171-V191 WeakPolarHBondContact O-CA 3.46Å; V171-V191 PolarHBondContact O-N 3.39Å; V171-I193 HydrophobicContact CB-CD1 4.22Å; V171-I193 HydrophobicContact CG2-CD1 3.57Å
172	R	91.1	Very high	86.6	Confident	36 Å²	36	60.5 Å²	60.5	14%	0.136	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	122.7	175.7	-176.8	165.9	-72.5	170.1	1	109.5	V107 R108 D190 E405	V107-R172 PolarHBondContact N-O 3.33Å; R108-R172 HydrophobicContact CB-CB 4.4Å; R108-R172 PolarHBondContact N-O 3.3Å; R108-R172 PolarHBondContact O-N 3.36Å; R172-D190 IonicContact CZ-OD1 3.64Å; R172-D190 IonicContact NE-OD1 3.51Å; R172-D190 PolarHBondContact NE-OD1 3.3Å; R172-D190 IonicContact NH2-OD1 3.72Å; R172-D190 PolarHBondContact NH2-OD1 2.87Å; R172-D190 IonicContact NH2-OD2 2.92Å; R172-E405 IonicContact CZ-OE1 2.88Å; R172-E405 IonicContact NH2-OE1 3.73Å; R172-E405 PolarHBondContact NH2-OE1 3.44Å; R172-E405 IonicContact NH2-OE2 3.04Å
173	I	92	Very high	86.6	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	156.5	178.3	71.9	168.1	0	0	0	111.1	L88 I102 Q105 V106 V171 S188 I189 V191 F209	L88-I173 HydrophobicContact CD1-CD1 4.48Å; L88-I173 HydrophobicContact CD2-CD1 4.3Å; L88-I173 HydrophobicContact CD2-CG1 4.33Å; I102-I173 HydrophobicContact CD1-CD1 3.63Å; I102-I173 HydrophobicContact CG1-CD1 4.41Å; Q105-I173 CarbonylContact O-C 3.6Å; Q105-I173 VanDerWaalsContact O-CA 3.22Å; Q105-I173 WeakPolarHBondContact O-CA 3.42Å; V106-I173 HydrophobicContact CG2-CG2 4.3Å; V171-I173 HydrophobicContact CG1-CG2 4.26Å; I173-S188 WeakPolarHBondContact O-CA 3.4Å; I173-S188 WeakPolarHBondContact O-CB 3.38Å; I173-I189 HydrophobicContact CD1-CG2 3.59Å; I173-I189 HydrophobicContact CG1-CG2 3.37Å; I173-I189 PolarHBondContact N-O 2.83Å; I173-I189 PolarHBondContact O-N 2.79Å; I173-V191 HydrophobicContact CB-CG2 4.32Å; I173-V191 HydrophobicContact CD1-CG2 3.57Å; I173-V191 HydrophobicContact CG1-CG2 3.69Å; I173-V191 HydrophobicContact CG2-CB 4.4Å; I173-V191 HydrophobicContact CG2-CG2 3.7Å; I173-F209 HydrophobicContact CB-CE2 4.5Å; I173-F209 HydrophobicContact CD1-CD2 4.19Å; I173-F209 HydrophobicContact CD1-CE2 4.22Å; I173-F209 HydrophobicContact CG2-CE1 4.23Å; I173-F209 HydrophobicContact CG2-CE2 3.73Å; I173-F209 HydrophobicContact CG2-CZ 3.54Å
174	Q	90.7	Very high	86.7	Confident	61 Å²	61	62.8 Å²	62.8	29%	0.285	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	152.2	177.6	-172.5	172.2	35.7	0	0	111.3	G104 Q105 V107 P186	G104-Q174 CarbonylContact C-O 3.6Å; G104-Q174 VanDerWaalsContact CA-O 3.28Å; G104-Q174 WeakPolarHBondContact CA-O 3.49Å; Q105-Q174 PolarHBondContact N-O 3.05Å; Q105-Q174 PolarHBondContact O-N 2.9Å; V107-Q174 HydrophobicContact CG2-CB 3.47Å; V107-Q174 VanDerWaalsContact CG2-CB 3.47Å; V107-Q174 HydrophobicContact CG2-CG 4.48Å; Q174-P186 HydrophobicContact CG-CB 3.78Å; Q174-P186 HydrophobicContact CG-CG 4.43Å
175	E	90.1	Very high	86.9	Confident	7 Å²	7	66.1 Å²	66.1	3%	0.033	35%	0.347	C	S	.	.			trans	-55.5	141.2	171.4	-73.8	177.4	-178.4	0	0	112	L88 R89 L180 R187	L88-E175 HydrophobicContact CB-CG 3.67Å; L88-E175 WeakPolarHBondContact CB-OE1 3.24Å; L88-E175 HydrophobicContact CD1-CG 4.44Å; L88-E175 HydrophobicContact CD2-CG 3.83Å; L88-E175 HydrophobicContact CG-CG 4.17Å; R89-E175 WeakPolarHBondContact CG-OE1 3.38Å; R89-E175 IonicContact CZ-OE2 2.85Å; R89-E175 VanDerWaalsContact CZ-OE2 3.23Å; R89-E175 IonicContact NE-OE1 3.65Å; R89-E175 PolarHBondContact NE-OE1 3.47Å; R89-E175 IonicContact NE-OE2 2.68Å; R89-E175 PolarHBondContact NE-OE2 2.92Å; R89-E175 IonicContact NH2-OE2 2.71Å; R89-E175 PolarHBondContact NH2-OE2 2.92Å; E175-L180 HydrophobicContact CB-CD2 4.09Å; E175-R187 HydrophobicContact CG-CB 4.48Å; E175-R187 PolarHBondContact N-O 3.34Å; E175-R187 WeakPolarHBondContact OE1-CB 3.35Å
176	M	83.2	Confident	87	Confident	10 Å²	10	63.9 Å²	63.9	5%	0.049	34%	0.341	C	S	.	.			trans	-67.6	142.1	174.9	-67	-56	-168.3	0	0	111.5	H103 G104 Q105 N178 E179 R206	H103-M176 WeakPolarHBondContact CE1-CE 3Å; H103-M176 WeakPolarHBondContact NE2-CE 3.4Å; G104-M176 WeakPolarHBondContact O-CE 3.42Å; Q105-M176 HydrophobicContact CB-CE 4.33Å; Q105-M176 HydrophobicContact CB-SD 3.89Å; M176-N178 PolarHBondContact O-N 2.84Å; M176-E179 HydrophobicContact CB-CG 4.36Å; M176-E179 PolarHBondContact O-N 2.99Å; M176-R206 HydrophobicContact CE-CB 3.36Å; M176-R206 HydrophobicContact CE-CG 3.36Å; M176-R206 HydrophobicContact SD-CG 4.06Å
177	Q	80.1	Confident	87.2	Confident	146 Å²	146	69.9 Å²	69.9	68%	0.682	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-57	-37.1	-180	-64.3	-173.8	8.3	0	0	112.8	E179 L180	Q177-E179 PolarHBondContact O-N 3.21Å; Q177-L180 HydrophobicContact CB-CD1 4.47Å; Q177-L180 WeakPolarHBondContact O-CB 3.31Å; Q177-L180 PolarHBondContact O-N 3.19Å
178	N	79.7	Confident	87.3	Confident	153 Å²	153	69.2 Å²	69.2	82%	0.818	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-67.2	-21.3	179.9	-63.8	-2.7	0	0	0	113.4	M176	M176-N178 PolarHBondContact O-N 2.84Å
179	E	80	Confident	87.5	Confident	63 Å²	63	68.1 Å²	68.1	29%	0.294	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-96.3	-2.8	179.9	-62.4	-168.8	161.7	0	0	112.9	M176 Q177 P181	M176-E179 HydrophobicContact CB-CG 4.36Å; M176-E179 PolarHBondContact O-N 2.99Å; Q177-E179 PolarHBondContact O-N 3.21Å; E179-P181 WeakPolarHBondContact O-CD 3.46Å
180	L	83.9	Confident	87.7	Confident	55 Å²	55	68.1 Å²	68.1	29%	0.288	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-70.7	124.5	-175.8	-69.6	171.3	0	0	0	111.2	E175 Q177 P186	E175-L180 HydrophobicContact CB-CD2 4.09Å; Q177-L180 HydrophobicContact CB-CD1 4.47Å; Q177-L180 WeakPolarHBondContact O-CB 3.31Å; Q177-L180 PolarHBondContact O-N 3.19Å; L180-P186 HydrophobicContact CD1-CB 4.35Å; L180-P186 HydrophobicContact CD2-CB 3.7Å
181	P	86.6	Confident	87.8	Confident	55 Å²	55	66.1 Å²	66.1	36%	0.357	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-66	139.4	166.7	23.9	-25.6	0	0	0	109.5	E179 G183 S184	E179-P181 WeakPolarHBondContact O-CD 3.46Å; P181-G183 PolarHBondContact O-N 3.12Å; P181-S184 PolarHBondContact O-N 3.4Å; P181-S184 VanDerWaalsContact O-N 3.17Å
182	R	86.6	Confident	87.9	Confident	255 Å²	255	66.4 Å²	66.4	96%	0.962	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	130.6	-179	-64.8	179.7	-179.8	-109.7	-0.1	110.4	S184	R182-S184 VanDerWaalsContact C-N 3.34Å; R182-S184 PolarHBondContact O-N 3.27Å
183	G	86.1	Confident	87.8	Confident	90 Å²	90	64.7 Å²	64.7	93%	0.928	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	7.1	176.9	0	0	0	0	0	116.1	P181	P181-G183 PolarHBondContact O-N 3.12Å
184	S	88.6	Confident	87.5	Confident	51 Å²	51	65.8 Å²	65.8	36%	0.357	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-101	144.4	175.1	-70	0	0	0	0	112.7	P181 R182	P181-S184 PolarHBondContact O-N 3.4Å; P181-S184 VanDerWaalsContact O-N 3.17Å; R182-S184 VanDerWaalsContact C-N 3.34Å; R182-S184 PolarHBondContact O-N 3.27Å
185	V	88	Confident	87.1	Confident	119 Å²	119	63.3 Å²	63.3	72%	0.721	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-70.6	137.1	168.7	-177.2	0	0	0	0	109.3	R89 R187	R89-V185 PolarHBondContact NH2-O 3.01Å; V185-R187 PolarHBondContact O-N 3.13Å
186	P	89	Confident	86.7	Confident	41 Å²	41	66.3 Å²	66.3	27%	0.266	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-62.4	129.8	174.4	25.1	-36.1	0	0	0	111.4	Q174 L180	Q174-P186 HydrophobicContact CG-CB 3.78Å; Q174-P186 HydrophobicContact CG-CG 4.43Å; L180-P186 HydrophobicContact CD1-CB 4.35Å; L180-P186 HydrophobicContact CD2-CB 3.7Å
187	R	90.2	Very high	86.7	Confident	140 Å²	140	66.2 Å²	66.2	53%	0.528	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-82.1	147.5	176.2	-60	-177.3	178.1	-178.9	-1.5	110.5	E175 V185	E175-R187 HydrophobicContact CG-CB 4.48Å; E175-R187 PolarHBondContact N-O 3.34Å; E175-R187 WeakPolarHBondContact OE1-CB 3.35Å; V185-R187 PolarHBondContact O-N 3.13Å
188	S	90.8	Very high	86.9	Confident	73 Å²	73	60.1 Å²	60.1	51%	0.51	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	150.7	172.7	55.8	0	0	0	0	110.7	I173	I173-S188 WeakPolarHBondContact O-CA 3.4Å; I173-S188 WeakPolarHBondContact O-CB 3.38Å
189	I	91.8	Very high	87.1	Confident	24 Å²	24	59 Å²	59	12%	0.123	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	146.5	174.2	-168.6	169.2	0	0	0	109	L88 L91 I173 L213 F264	L88-I189 HydrophobicContact CD2-CG2 3.75Å; L88-I189 HydrophobicContact CG-CG2 4.22Å; L91-I189 HydrophobicContact CD1-CD1 3.93Å; I173-I189 HydrophobicContact CD1-CG2 3.59Å; I173-I189 HydrophobicContact CG1-CG2 3.37Å; I173-I189 PolarHBondContact N-O 2.83Å; I173-I189 PolarHBondContact O-N 2.79Å; I189-L213 HydrophobicContact CD1-CD1 4.04Å; I189-F264 HydrophobicContact CD1-CB 4.26Å
190	D	92.2	Very high	87.2	Confident	9 Å²	9	60.5 Å²	60.5	5%	0.048	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	125.6	174.5	-67.9	-13.6	0	0	0	108.7	K170 R172 R261 A263 F264	K170-D190 WeakPolarHBondContact CE-OD2 3.48Å; K170-D190 IonicContact NZ-OD2 3.94Å; K170-D190 PolarHBondContact NZ-OD2 2.99Å; K170-D190 VanDerWaalsContact NZ-OD2 3.09Å; R172-D190 IonicContact CZ-OD1 3.64Å; R172-D190 IonicContact NE-OD1 3.51Å; R172-D190 PolarHBondContact NE-OD1 3.3Å; R172-D190 IonicContact NH2-OD1 3.72Å; R172-D190 PolarHBondContact NH2-OD1 2.87Å; R172-D190 IonicContact NH2-OD2 2.92Å; D190-R261 IonicContact OD1-NH2 3.6Å; D190-R261 IonicContact OD2-CZ 2.83Å; D190-R261 IonicContact OD2-NE 3.72Å; D190-R261 IonicContact OD2-NH1 3.7Å; D190-R261 IonicContact OD2-NH2 3.13Å; D190-R261 PolarHBondContact OD2-NH2 3.13Å; D190-A263 WeakPolarHBondContact O-CA 3.41Å; D190-F264 PolarHBondContact O-N 2.97Å
191	V	92.4	Very high	87	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	132.8	175.3	-179.6	0	0	0	0	108.9	V171 I173 I193 F209 F264 A266	V171-V191 PolarHBondContact N-O 3.44Å; V171-V191 WeakPolarHBondContact O-CA 3.46Å; V171-V191 PolarHBondContact O-N 3.39Å; I173-V191 HydrophobicContact CB-CG2 4.32Å; I173-V191 HydrophobicContact CD1-CG2 3.57Å; I173-V191 HydrophobicContact CG1-CG2 3.69Å; I173-V191 HydrophobicContact CG2-CB 4.4Å; I173-V191 HydrophobicContact CG2-CG2 3.7Å; V191-I193 HydrophobicContact CG1-CG1 4.18Å; V191-F209 HydrophobicContact CG1-CD1 3.81Å; V191-F209 HydrophobicContact CG1-CE1 4.15Å; V191-F209 HydrophobicContact CG2-CD1 4.49Å; V191-F264 CarbonylContact C-O 3.46Å; V191-F264 WeakPolarHBondContact CA-O 3.45Å; V191-F264 HydrophobicContact CG1-CD1 4.2Å; V191-F264 HydrophobicContact CG2-CB 4.22Å; V191-F264 HydrophobicContact CG2-CD1 4.35Å; V191-A266 HydrophobicContact CG1-CB 3.53Å
192	I	91.8	Very high	86.6	Confident	6 Å²	6	59.6 Å²	59.6	3%	0.031	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	129.2	174.2	-69.9	165.4	0	0	0	108.1	F137 F168 R194 I214 I216 A263 F264 A266	F137-I192 HydrophobicContact CE1-CD1 4.38Å; F168-I192 HydrophobicContact CD2-CG2 3.5Å; F168-I192 VanDerWaalsContact CD2-CG2 3.5Å; F168-I192 HydrophobicContact CE2-CB 3.99Å; F168-I192 HydrophobicContact CE2-CD1 3.87Å; F168-I192 HydrophobicContact CE2-CG1 3.64Å; F168-I192 HydrophobicContact CE2-CG2 3.19Å; F168-I192 HydrophobicContact CZ-CD1 4.27Å; F168-I192 HydrophobicContact CZ-CG1 3.91Å; F168-I192 HydrophobicContact CZ-CG2 4.19Å; I192-R194 HydrophobicContact CG2-CG 4.39Å; I192-I214 HydrophobicContact CD1-CD1 4.24Å; I192-I216 HydrophobicContact CD1-CD1 3.41Å; I192-I216 VanDerWaalsContact CD1-CD1 3.41Å; I192-A263 HydrophobicContact CD1-CB 4.27Å; I192-F264 PolarHBondContact N-O 3.45Å; I192-A266 PolarHBondContact O-N 2.87Å
193	I	89.9	Confident	86.2	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	136.6	178.1	-56.4	166.7	0	0	0	107.5	Q169 V171 V191 C197 V198 C201 A266 L269	Q169-I193 PolarHBondContact N-O 3Å; Q169-I193 PolarHBondContact O-N 2.76Å; V171-I193 HydrophobicContact CB-CD1 4.22Å; V171-I193 HydrophobicContact CG2-CD1 3.57Å; V191-I193 HydrophobicContact CG1-CG1 4.18Å; I193-C197 HydrophobicContact CG2-CB 3.32Å; I193-C197 WeakPolarHBondContact CG2-O 3.32Å; I193-V198 HydrophobicContact CG2-CG2 4.2Å; I193-C201 HydrophobicContact CD1-CB 4.46Å; I193-A266 HydrophobicContact CG1-CB 4.49Å; I193-L269 HydrophobicContact CD1-CD1 3.91Å; I193-L269 HydrophobicContact CD1-CD2 4.08Å; I193-L269 HydrophobicContact CG1-CD1 4.37Å; I193-L269 HydrophobicContact CG1-CD2 4.37Å; I193-L269 HydrophobicContact CG2-CD1 3.96Å
194	R	86.5	Confident	85.5	Confident	24 Å²	24	45.7 Å²	45.7	9%	0.091	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	154.8	177	-68.1	-173.8	176.4	156.7	-6.5	111.4	E45 E115 D167 I192 H265	E45-R194 IonicContact OE1-NH1 3.71Å; E115-R194 VanDerWaalsContact CD-NH2 3.3Å; E115-R194 IonicContact OE1-CZ 3.7Å; E115-R194 IonicContact OE1-NE 3.91Å; E115-R194 IonicContact OE1-NH2 2.76Å; E115-R194 PolarHBondContact OE1-NH2 3.3Å; E115-R194 IonicContact OE2-CZ 3.28Å; E115-R194 VanDerWaalsContact OE2-CZ 3.28Å; E115-R194 IonicContact OE2-NE 2.75Å; E115-R194 PolarHBondContact OE2-NE 2.98Å; E115-R194 IonicContact OE2-NH2 3.11Å; E115-R194 PolarHBondContact OE2-NH2 3.1Å; E115-R194 VanDerWaalsContact OE2-NH2 3.11Å; D167-R194 WeakPolarHBondContact O-CA 3.17Å; I192-R194 HydrophobicContact CG2-CG 4.39Å; R194-H265 WeakPolarHBondContact CD-NE2 3.4Å
195	G	81.6	Confident	85	Confident	9 Å²	9	43.9 Å²	43.9	9%	0.093	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	69.3	-145.3	172.1	0	0	0	0	0	113.3	D167 C197 V198	D167-G195 PolarHBondContact O-N 3.08Å; D167-G195 VanDerWaalsContact O-N 3.12Å; G195-C197 PolarHBondContact O-N 2.97Å; G195-V198 VanDerWaalsContact O-CB 3.28Å; G195-V198 WeakPolarHBondContact O-CB 3.2Å; G195-V198 WeakPolarHBondContact O-CG2 3.49Å; G195-V198 PolarHBondContact O-N 3.03Å; G195-V198 VanDerWaalsContact O-N 3.1Å
196	E	80.9	Confident	84.8	Confident	70 Å²	70	42.9 Å²	42.9	33%	0.327	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-67.6	-8.4	-175	-63.7	177.5	-155.6	0	0	115.3	P15 C16 R200	P15-E196 WeakPolarHBondContact CB-OE1 3.42Å; P15-E196 WeakPolarHBondContact CD-OE1 2.94Å; P15-E196 WeakPolarHBondContact CG-OE1 3.48Å; C16-E196 HydrophobicContact CB-CG 4.39Å; C16-E196 WeakPolarHBondContact CB-OE2 3.16Å; C16-E196 PolarHBondContact N-OE1 3.26Å; C16-E196 WeakPolarHBondContact SG-CB 3.46Å; C16-E196 WeakPolarHBondContact SG-CG 3.31Å; C16-E196 PolarHBondContact SG-OE1 3.08Å; C16-E196 PolarHBondContact SG-OE2 3.48Å; C16-E196 VanDerWaalsContact SG-OE2 3.38Å; E196-R200 PolarHBondContact O-NE 3.13Å; E196-R200 PolarHBondContact O-NH2 3.32Å; E196-R200 IonicContact OE2-NH2 3.77Å
197	C	83	Confident	84.7	Confident	7 Å²	7	41.2 Å²	41.2	5%	0.047	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-75.5	-15.4	174.8	-77.8	0	0	0	0	112.3	I193 G195 R200 N267 L269	I193-C197 HydrophobicContact CG2-CB 3.32Å; I193-C197 WeakPolarHBondContact CG2-O 3.32Å; G195-C197 PolarHBondContact O-N 2.97Å; C197-R200 WeakPolarHBondContact O-CB 3.41Å; C197-R200 PolarHBondContact O-N 3.1Å; C197-N267 PolarHBondContact SG-O 3.35Å; C197-L269 HydrophobicContact CB-CD1 3.58Å; C197-L269 HydrophobicContact CB-CG 4.29Å; C197-L269 WeakPolarHBondContact O-CD1 3.4Å
198	V	85.5	Confident	84.7	Confident	19 Å²	19	38.5 Å²	38.5	12%	0.115	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	146.3	175.4	172.4	0	0	0	0	110.3	V112 D167 Q169 I193 G195 R200	V112-V198 HydrophobicContact CB-CG1 4.14Å; V112-V198 HydrophobicContact CG1-CG1 3.68Å; V112-V198 HydrophobicContact CG2-CG1 3.33Å; D167-V198 HydrophobicContact CB-CG2 4.28Å; Q169-V198 HydrophobicContact CB-CB 4.41Å; Q169-V198 HydrophobicContact CB-CG1 3.92Å; Q169-V198 HydrophobicContact CB-CG2 3.97Å; I193-V198 HydrophobicContact CG2-CG2 4.2Å; G195-V198 VanDerWaalsContact O-CB 3.28Å; G195-V198 WeakPolarHBondContact O-CB 3.2Å; G195-V198 WeakPolarHBondContact O-CG2 3.49Å; G195-V198 PolarHBondContact O-N 3.03Å; G195-V198 VanDerWaalsContact O-N 3.1Å; V198-R200 PolarHBondContact O-N 3.1Å
199	E	84	Confident	84.6	Confident	130 Å²	130	35 Å²	35	61%	0.607	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.2	-6.3	-176.5	-67.9	-178	168.3	0	0	116.8	V112 C201	V112-E199 HydrophobicContact CG2-CG 3.79Å; E199-C201 VanDerWaalsContact C-N 3.29Å; E199-C201 PolarHBondContact O-N 3.24Å
200	R	81.7	Confident	84.5	Confident	93 Å²	93	34 Å²	34	35%	0.351	16%	0.159	S	C	.	.			trans	-69.2	-26.7	176	-62.5	-168.8	-173.7	-169.6	-0.8	113.6	E196 C197 V198 F207 L269 R280	E196-R200 PolarHBondContact O-NE 3.13Å; E196-R200 PolarHBondContact O-NH2 3.32Å; E196-R200 IonicContact OE2-NH2 3.77Å; C197-R200 WeakPolarHBondContact O-CB 3.41Å; C197-R200 PolarHBondContact O-N 3.1Å; V198-R200 PolarHBondContact O-N 3.1Å; R200-F207 WeakPolarHBondContact O-CZ 3.49Å; R200-L269 HydrophobicContact CB-CD1 4.24Å; R200-R280 PolarHBondContact O-NH1 3.13Å
201	C	79.9	Confident	84.3	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.007	16%	0.157	C	C	.	.			trans	-86.3	127.9	179	-66.7	0	0	0	0	110.7	V106 T109 I193 E199 F207	V106-C201 HydrophobicContact CG2-CB 4.2Å; T109-C201 HydrophobicContact CG2-CB 4.49Å; I193-C201 HydrophobicContact CD1-CB 4.46Å; E199-C201 VanDerWaalsContact C-N 3.29Å; E199-C201 PolarHBondContact O-N 3.24Å; C201-F207 HydrophobicContact CB-CE2 4.17Å
202	Q	78	Confident	84	Confident	90 Å²	90	33.8 Å²	33.8	42%	0.421	16%	0.159	S	C	.	.			trans	-111.7	152.7	167.4	-58.8	-68	-24.5	0	0	109.7	V106 G204 D205	V106-Q202 WeakPolarHBondContact CB-O 3.24Å; Q202-G204 PolarHBondContact O-N 3.34Å; Q202-D205 WeakPolarHBondContact CA-OD2 3.49Å; Q202-D205 WeakPolarHBondContact CB-OD2 3.44Å; Q202-D205 PolarHBondContact N-OD2 3.29Å; Q202-D205 WeakPolarHBondContact O-CB 3.32Å; Q202-D205 PolarHBondContact O-N 3.36Å; Q202-D205 VanDerWaalsContact O-OD2 3.1Å
203	P	77.5	Confident	83.9	Confident	37 Å²	37	33.6 Å²	33.6	24%	0.24	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	138.3	173.8	25.7	-34.3	0	0	0	110.8	A413	P203-A413 HydrophobicContact CG-CB 4.27Å
204	G	73.2	Confident	83.9	Confident	16 Å²	16	34.3 Å²	34.3	17%	0.165	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.3	-23	-176.7	0	0	0	0	0	114.8	Q105 V106 Q202	Q105-G204 WeakPolarHBondContact CG-O 3.41Å; Q105-G204 PolarHBondContact NE2-O 3.09Å; V106-G204 PolarHBondContact O-N 3.12Å; Q202-G204 PolarHBondContact O-N 3.34Å
205	D	77.2	Confident	83.8	Confident	13 Å²	13	35.1 Å²	35.1	7%	0.07	17%	0.173	C	C	.	.			trans	-72.5	147.8	-174.4	-66.2	-44.7	0	0	0	113.3	Q105 V106 Q202 F207 R280	Q105-D205 CarbonylContact C-O 3.59Å; Q105-D205 WeakPolarHBondContact CA-O 3.41Å; V106-D205 PolarHBondContact N-O 3.36Å; Q202-D205 WeakPolarHBondContact CA-OD2 3.49Å; Q202-D205 WeakPolarHBondContact CB-OD2 3.44Å; Q202-D205 PolarHBondContact N-OD2 3.29Å; Q202-D205 WeakPolarHBondContact O-CB 3.32Å; Q202-D205 PolarHBondContact O-N 3.36Å; Q202-D205 VanDerWaalsContact O-OD2 3.1Å; D205-F207 HydrophobicContact CB-CD2 3.63Å; D205-F207 HydrophobicContact CB-CE2 3.28Å; D205-F207 HydrophobicContact CB-CZ 4.27Å; D205-R280 IonicContact OD1-NH2 2.9Å; D205-R280 PolarHBondContact OD1-NH2 3.1Å; D205-R280 IonicContact OD2-CZ 3.22Å; D205-R280 IonicContact OD2-NH1 2.72Å; D205-R280 PolarHBondContact OD2-NH1 2.87Å; D205-R280 IonicContact OD2-NH2 3.86Å; D205-R280 PolarHBondContact OD2-NH2 2.98Å
206	R	83.9	Confident	83.9	Confident	98 Å²	98	36.6 Å²	36.6	37%	0.37	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	108.1	175.7	-61.5	-169.7	-179.5	160.8	0.6	110.1	M176 S272 E273	M176-R206 HydrophobicContact CE-CB 3.36Å; M176-R206 HydrophobicContact CE-CG 3.36Å; M176-R206 HydrophobicContact SD-CG 4.06Å; R206-S272 PolarHBondContact O-N 3.43Å; R206-E273 VanDerWaalsContact CD-OE1 3.29Å; R206-E273 WeakPolarHBondContact CD-OE1 3.22Å; R206-E273 WeakPolarHBondContact CG-OE1 3.37Å; R206-E273 IonicContact NE-OE1 3.56Å
207	F	87.2	Confident	83.9	Confident	6 Å²	6	34.7 Å²	34.7	3%	0.026	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	151.6	180	-78.4	-82.6	0	0	0	112	H103 G104 V106 R200 C201 D205 F209 L269 P271	H103-F207 PolarHBondContact ND1-O 3.44Å; G104-F207 PolarHBondContact N-O 2.97Å; G104-F207 VanDerWaalsContact N-O 3.17Å; G104-F207 PolarHBondContact O-N 2.92Å; G104-F207 VanDerWaalsContact O-N 3.09Å; V106-F207 HydrophobicContact CG2-CD2 3.96Å; R200-F207 WeakPolarHBondContact O-CZ 3.49Å; C201-F207 HydrophobicContact CB-CE2 4.17Å; D205-F207 HydrophobicContact CB-CD2 3.63Å; D205-F207 HydrophobicContact CB-CE2 3.28Å; D205-F207 HydrophobicContact CB-CZ 4.27Å; F207-F209 HydrophobicContact CB-CD2 4.06Å; F207-F209 HydrophobicContact CB-CE1 4.17Å; F207-F209 HydrophobicContact CB-CE2 3.46Å; F207-F209 VanDerWaalsContact CB-CE2 3.46Å; F207-F209 HydrophobicContact CB-CZ 3.5Å; F207-F209 VanDerWaalsContact CB-CZ 3.5Å; F207-F209 HydrophobicContact CG-CZ 4.31Å; F207-L269 HydrophobicContact CD1-CB 4.16Å; F207-L269 HydrophobicContact CE1-CB 4.43Å; F207-P271 HydrophobicContact CD1-CB 4.31Å; F207-P271 HydrophobicContact CE1-CB 4.05Å
208	R	88.9	Confident	83.3	Confident	83 Å²	83	37.9 Å²	37.9	31%	0.313	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	111.8	161	-179.5	-178.9	-63.4	163.5	3	107.1	M85 S101 I102 V270	M85-R208 HydrophobicContact CE-CG 4.01Å; M85-R208 HydrophobicContact SD-CG 4.04Å; S101-R208 WeakPolarHBondContact OG-CD 3.37Å; S101-R208 WeakPolarHBondContact OG-CG 3.46Å; I102-R208 CarbonylContact O-C 3.52Å; I102-R208 WeakPolarHBondContact O-CA 3.15Å; R208-V270 PolarHBondContact N-O 3.48Å; R208-V270 PolarHBondContact O-N 2.83Å
209	F	90.1	Very high	82.5	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	121	178.6	-56.8	-97.7	0	0	0	108.5	S101 I102 V106 I173 V191 F207 F264 A266 L269	S101-F209 CarbonylContact C-O 3.46Å; S101-F209 WeakPolarHBondContact CA-O 3.26Å; I102-F209 HydrophobicContact CD1-CB 4.34Å; I102-F209 HydrophobicContact CG1-CB 3.73Å; I102-F209 HydrophobicContact CG1-CD2 4.33Å; I102-F209 HydrophobicContact CG1-CG 4.41Å; I102-F209 PolarHBondContact N-O 2.84Å; I102-F209 PolarHBondContact O-N 2.87Å; V106-F209 HydrophobicContact CG2-CZ 3.87Å; I173-F209 HydrophobicContact CB-CE2 4.5Å; I173-F209 HydrophobicContact CD1-CD2 4.19Å; I173-F209 HydrophobicContact CD1-CE2 4.22Å; I173-F209 HydrophobicContact CG2-CE1 4.23Å; I173-F209 HydrophobicContact CG2-CE2 3.73Å; I173-F209 HydrophobicContact CG2-CZ 3.54Å; V191-F209 HydrophobicContact CG1-CD1 3.81Å; V191-F209 HydrophobicContact CG1-CE1 4.15Å; V191-F209 HydrophobicContact CG2-CD1 4.49Å; F207-F209 HydrophobicContact CB-CD2 4.06Å; F207-F209 HydrophobicContact CB-CE1 4.17Å; F207-F209 HydrophobicContact CB-CE2 3.46Å; F207-F209 VanDerWaalsContact CB-CE2 3.46Å; F207-F209 HydrophobicContact CB-CZ 3.5Å; F207-F209 VanDerWaalsContact CB-CZ 3.5Å; F207-F209 HydrophobicContact CG-CZ 4.31Å; F209-F264 HydrophobicContact CB-CD1 4.3Å; F209-F264 HydrophobicContact CB-CE1 3.75Å; F209-A266 HydrophobicContact CB-CB 4.17Å; F209-A266 HydrophobicContact CD1-CB 3.99Å; F209-L269 HydrophobicContact CD1-CD2 3.09Å; F209-L269 HydrophobicContact CE1-CD2 3.18Å; F209-L269 HydrophobicContact CG-CD2 4.16Å; F209-L269 HydrophobicContact CZ-CD2 4.3Å
210	T	88.6	Confident	81.6	Confident	3 Å²	3	36 Å²	36	2%	0.018	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	126.4	172.7	-57.2	0	0	0	0	108.9	I79 L99 N267 N268	I79-T210 HydrophobicContact CB-CG2 4.38Å; L99-T210 HydrophobicContact CD1-CG2 3.76Å; L99-T210 HydrophobicContact CG-CG2 4.37Å; T210-N267 PolarHBondContact O-N 3.11Å; T210-N268 PolarHBondContact N-O 3.07Å; T210-N268 PolarHBondContact O-N 3.34Å
211	G	87.7	Confident	80.6	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.8	-165.6	-169.9	0	0	0	0	0	114.1	L99 V100 H265	L99-G211 CarbonylContact C-O 3.47Å; L99-G211 WeakPolarHBondContact CA-O 3.3Å; L99-G211 WeakPolarHBondContact CD1-O 3.48Å; V100-G211 PolarHBondContact N-O 3.15Å; V100-G211 PolarHBondContact O-N 2.76Å; G211-H265 CarbonylContact C-O 3.51Å; G211-H265 WeakPolarHBondContact CA-O 3.49Å
212	A	87.4	Confident	79.5	Confident	5 Å²	5	38.3 Å²	38.3	4%	0.041	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	143.9	179.9	0	0	0	0	0	111.1	Q98 H265	Q98-A212 WeakPolarHBondContact O-CA 3.3Å; A212-H265 PolarHBondContact N-O 3.42Å; A212-H265 PolarHBondContact O-N 3.06Å
213	L	89.6	Confident	78.4	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	126.3	170.9	-171.2	71.7	0	0	0	109	L91 N95 I96 G97 I189 L262 F264	L91-L213 HydrophobicContact CB-CD2 4.4Å; L91-L213 HydrophobicContact CD1-CD1 4.49Å; N95-L213 HydrophobicContact CB-CD2 4.45Å; I96-L213 WeakPolarHBondContact CA-O 3.42Å; I96-L213 HydrophobicContact CG1-CD2 4.03Å; I96-L213 HydrophobicContact CG1-CG 4.36Å; G97-L213 PolarHBondContact N-O 2.85Å; I189-L213 HydrophobicContact CD1-CD1 4.04Å; L213-L262 HydrophobicContact CD1-CB 4.5Å; L213-L262 HydrophobicContact CD2-CD2 4.39Å; L213-L262 HydrophobicContact CG-CD2 4.46Å; L213-F264 HydrophobicContact CD1-CD2 4.44Å
214	I	88.9	Confident	77.5	Confident	16 Å²	16	39.6 Å²	39.6	8%	0.082	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	156.2	-178.9	59.7	164.2	0	0	0	110.9	F137 I192 I216 A263 H265	F137-I214 HydrophobicContact CE1-CD1 3.99Å; F137-I214 HydrophobicContact CE2-CD1 3.86Å; F137-I214 HydrophobicContact CZ-CD1 3.38Å; I192-I214 HydrophobicContact CD1-CD1 4.24Å; I214-I216 HydrophobicContact CD1-CD1 4.13Å; I214-I216 HydrophobicContact CD1-CG1 4.03Å; I214-I216 HydrophobicContact CG1-CG1 4.43Å; I214-A263 HydrophobicContact CG1-CB 4.14Å; I214-A263 VanDerWaalsContact CG1-O 3.24Å; I214-A263 WeakPolarHBondContact CG1-O 3.42Å; I214-A263 PolarHBondContact N-O 3.22Å; I214-A263 PolarHBondContact O-N 3.32Å; I214-H265 HydrophobicContact CD1-CB 3.96Å; I214-H265 HydrophobicContact CG1-CB 4.18Å; I214-H265 HydrophobicContact CG2-CB 4.15Å
215	A	86	Confident	76.7	Confident	40 Å²	40	45.1 Å²	45.1	33%	0.331	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	118.5	174.4	0	0	0	0	0	108.8	Y260 L262	A215-Y260 HydrophobicContact CB-CD1 4.21Å; A215-L262 HydrophobicContact CB-CD2 4.48Å
216	I	83.5	Confident	75.7	Confident	40 Å²	40	48 Å²	48	21%	0.205	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	126.8	-179.2	-58.4	177	0	0	0	108.4	I192 I214 Y260 R261 A263	I192-I216 HydrophobicContact CD1-CD1 3.41Å; I192-I216 VanDerWaalsContact CD1-CD1 3.41Å; I214-I216 HydrophobicContact CD1-CD1 4.13Å; I214-I216 HydrophobicContact CD1-CG1 4.03Å; I214-I216 HydrophobicContact CG1-CG1 4.43Å; I216-Y260 WeakPolarHBondContact O-CA 3.16Å; I216-R261 PolarHBondContact N-O 2.75Å; I216-R261 PolarHBondContact O-N 3.19Å; I216-A263 HydrophobicContact CD1-CB 3.45Å; I216-A263 VanDerWaalsContact CD1-CB 3.45Å; I216-A263 HydrophobicContact CG1-CB 4.05Å
217	P	79.4	Confident	74.3	Confident	31 Å²	31	48.8 Å²	48.8	20%	0.201	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	136.7	174.4	28.9	-32.9	0	0	0	110.5	V219 Y260	P217-V219 PolarHBondContact O-N 2.83Å; P217-V219 VanDerWaalsContact O-N 3.1Å; P217-Y260 HydrophobicContact CB-CD1 4.11Å; P217-Y260 HydrophobicContact CB-CE1 3.88Å
218	D	72.1	Confident	72.7	Confident	74 Å²	74	53.6 Å²	53.6	40%	0.396	35%	0.348	S	S	.	.			trans	-75.8	98.1	173.4	-172.8	-0.3	0	0	0	110.3	G220 Q221 N259	D218-G220 VanDerWaalsContact C-N 3.25Å; D218-G220 PolarHBondContact O-N 3.09Å; D218-G220 PolarHBondContact OD1-N 3.36Å; D218-Q221 PolarHBondContact O-N 2.92Å; D218-Q221 PolarHBondContact OD2-NE2 2.87Å; D218-N259 PolarHBondContact N-O 3.01Å
219	V	68.4	Low	70.8	Confident	57 Å²	57	52.5 Å²	52.5	35%	0.345	36%	0.357	S	S	.	.	H	α-helix	trans	-70.1	-22.4	-175	-167.8	0	0	0	0	112.4	P217 Q221 L222	P217-V219 PolarHBondContact O-N 2.83Å; P217-V219 VanDerWaalsContact O-N 3.1Å; V219-Q221 VanDerWaalsContact C-N 3.26Å; V219-Q221 PolarHBondContact O-N 2.81Å; V219-L222 HydrophobicContact CB-CD1 4.45Å; V219-L222 HydrophobicContact CG1-CD1 4.16Å; V219-L222 WeakPolarHBondContact O-CB 3.42Å; V219-L222 PolarHBondContact O-N 3.42Å; V219-L222 VanDerWaalsContact O-N 3.13Å
220	G	64.3	Low	69.1	Low	51 Å²	51	56.1 Å²	56.1	53%	0.526	38%	0.379	S	S	.	.	H	α-helix	trans	-60.9	-38.7	176.5	0	0	0	0	0	111.8	D218 L222 S223 A224	D218-G220 VanDerWaalsContact C-N 3.25Å; D218-G220 PolarHBondContact O-N 3.09Å; D218-G220 PolarHBondContact OD1-N 3.36Å; G220-L222 VanDerWaalsContact C-N 3.35Å; G220-S223 PolarHBondContact O-N 2.8Å; G220-A224 PolarHBondContact O-N 2.97Å
221	Q	60.4	Low	67.1	Low	93 Å²	93	62 Å²	62	44%	0.435	41%	0.41	S	S	.	.	H	α-helix	trans	-77.3	-20.3	178.4	-59.5	-175.5	28.1	0	0	113.1	D218 V219 S223 N259	D218-Q221 PolarHBondContact O-N 2.92Å; D218-Q221 PolarHBondContact OD2-NE2 2.87Å; V219-Q221 VanDerWaalsContact C-N 3.26Å; V219-Q221 PolarHBondContact O-N 2.81Å; Q221-S223 PolarHBondContact O-N 2.92Å; Q221-N259 PolarHBondContact OE1-ND2 2.74Å
222	L	57.3	Low	65.3	Low	50 Å²	50	69.2 Å²	69.2	26%	0.262	45%	0.447	S	S	.	.	H	α-helix	trans	-66.4	-24	171.5	-74.3	170	0	0	0	112.4	V219 G220 L258	V219-L222 HydrophobicContact CB-CD1 4.45Å; V219-L222 HydrophobicContact CG1-CD1 4.16Å; V219-L222 WeakPolarHBondContact O-CB 3.42Å; V219-L222 PolarHBondContact O-N 3.42Å; V219-L222 VanDerWaalsContact O-N 3.13Å; G220-L222 VanDerWaalsContact C-N 3.35Å; L222-L258 HydrophobicContact CD2-CD2 3.71Å
223	S	55.8	Low	63.3	Low	96 Å²	96	76.9 Å²	76.9	67%	0.671	48%	0.48	S	S	*	.	H	α-helix	trans	-104	-14	-175.5	-53	0	0	0	0	113.6	G220 Q221 P225	G220-S223 PolarHBondContact O-N 2.8Å; Q221-S223 PolarHBondContact O-N 2.92Å; S223-P225 WeakPolarHBondContact O-CD 3.47Å
224	A	58.6	Low	61.2	Low	58 Å²	58	82.3 Å²	82.3	48%	0.479	52%	0.518	S	S	.	.			trans	-73.5	118	179.2	0	0	0	0	0	111.1	G220 G226	G220-A224 PolarHBondContact O-N 2.97Å; A224-G226 PolarHBondContact O-N 2.97Å
225	P	54.4	Low	58.7	Low	133 Å²	133	89.8 Å²	89.8	86%	0.864	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	112.2	175.3	29.3	-29.9	0	0	0	109	S223	S223-P225 WeakPolarHBondContact O-CD 3.47Å
226	G	57.2	Low	56.6	Low	72 Å²	72	99.3 Å²	99.3	74%	0.742	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	158	-11.1	172.5	0	0	0	0	0	118.9	A224 P228	A224-G226 PolarHBondContact O-N 2.97Å; G226-P228 WeakPolarHBondContact O-CD 3.35Å
227	V	55	Low	54.4	Low	116 Å²	116	109.8 Å²	109.8	70%	0.703	62%	0.616	S	S	*	*			trans	-95.1	112.4	178.3	-173.4	0	0	0	0	110.1
228	P	52.4	Low	52.3	Low	107 Å²	107	111.7 Å²	111.7	70%	0.695	64%	0.641	S	S	*	*			trans	-70.8	135.6	-178.5	28	-33	0	0	0	111.3	G226 T230	G226-P228 WeakPolarHBondContact O-CD 3.35Å; P228-T230 PolarHBondContact O-N 2.83Å
229	A	50.5	Low	50.8	Low	59 Å²	59	119.4 Å²	119.4	49%	0.488	67%	0.665	S	S	.	*			trans	-66	120.4	174.3	0	0	0	0	0	110.7	N231	A229-N231 PolarHBondContact O-N 2.91Å
230	T	53.7	Low	49.2	Very low	76 Å²	76	125.9 Å²	125.9	47%	0.466	69%	0.692	S	S	.	*			trans	-84	102.4	175.4	49.2	0	0	0	0	109.4	P228 I232	P228-T230 PolarHBondContact O-N 2.83Å; T230-I232 PolarHBondContact O-N 2.91Å; T230-I232 VanDerWaalsContact O-N 3.17Å
231	N	46.8	Very low	47.9	Very low	127 Å²	127	126.8 Å²	126.8	68%	0.679	70%	0.701	S	S	*	*			trans	-71.7	106.5	168.7	-93.3	-34.4	0	0	0	109.3	A229 K233	A229-N231 PolarHBondContact O-N 2.91Å; N231-K233 VanDerWaalsContact C-N 3.29Å; N231-K233 PolarHBondContact O-N 3.31Å
232	I	50.8	Low	46.8	Very low	151 Å²	151	133.3 Å²	133.3	77%	0.774	72%	0.723	S	S	*	*			trans	-69.3	92.1	164.2	-58.3	172.8	0	0	0	107.4	T230 S234	T230-I232 PolarHBondContact O-N 2.91Å; T230-I232 VanDerWaalsContact O-N 3.17Å; I232-S234 PolarHBondContact O-N 3.2Å
233	K	44.1	Very low	45.6	Very low	166 Å²	166	139.5 Å²	139.5	72%	0.722	75%	0.751	S	S	*	*			trans	-73.8	104.8	165.6	-74.1	-179.5	178.7	177.6	0	107.7	N231 H235	N231-K233 VanDerWaalsContact C-N 3.29Å; N231-K233 PolarHBondContact O-N 3.31Å; K233-H235 VanDerWaalsContact C-N 3.3Å; K233-H235 PolarHBondContact O-N 3.14Å
234	S	45.3	Very low	44.8	Very low	115 Å²	115	142.9 Å²	142.9	80%	0.804	76%	0.761	S	S	*	*			trans	-66.3	90.1	166.6	47.7	0	0	0	0	109.7	I232 R236	I232-S234 PolarHBondContact O-N 3.2Å; S234-R236 PolarHBondContact O-N 3.14Å; S234-R236 VanDerWaalsContact O-N 3.08Å
235	H	37.8	Very low	44	Very low	173 Å²	173	149.2 Å²	149.2	80%	0.801	78%	0.78	S	S	*	*			trans	-73.8	87.9	166.2	-95.3	-67.9	0	0	0	109.6	K233	K233-H235 VanDerWaalsContact C-N 3.3Å; K233-H235 PolarHBondContact O-N 3.14Å
236	R	41.8	Very low	43.7	Very low	240 Å²	240	145.4 Å²	145.4	91%	0.906	77%	0.765	S	S	*	*			trans	-141	111.1	152.8	-92.8	-169.1	178	-177.3	-1	111	S234	S234-R236 PolarHBondContact O-N 3.14Å; S234-R236 VanDerWaalsContact O-N 3.08Å
237	R	36.1	Very low	43.3	Very low	260 Å²	260	148.6 Å²	148.6	98%	0.981	77%	0.77	S	S	*	*			trans	-58.6	132.3	165.2	-72.6	174.2	169.8	171.3	-4	109
238	G	36.4	Very low	42.8	Very low	71 Å²	71	153.8 Å²	153.8	73%	0.732	78%	0.777	S	S	*	*			trans	153.7	94.3	162.6	0	0	0	0	0	115.3
239	R	40.4	Very low	42.8	Very low	236 Å²	236	151.7 Å²	151.7	89%	0.891	77%	0.774	S	S	*	*			trans	72.4	112.5	130.9	-154.5	172.6	-174.3	174.4	-0	118.8
240	E	33.7	Very low	42.9	Very low	194 Å²	194	154.4 Å²	154.4	91%	0.907	78%	0.78	S	S	*	*			trans	-2.5	112.9	146.9	-65.2	170.6	161.3	0	0	116.1
241	G	37	Very low	42.6	Very low	70 Å²	70	159.7 Å²	159.7	72%	0.722	80%	0.797	S	S	*	*			trans	-176.6	124.3	169.6	0	0	0	0	0	108.1
242	Y	36.9	Very low	42.8	Very low	230 Å²	230	161.5 Å²	161.5	90%	0.902	81%	0.806	S	S	*	*			trans	-52.9	156.6	173.7	-88.9	-111.4	0	0	0	111.3
243	E	32.1	Very low	42.7	Very low	180 Å²	180	159.7 Å²	159.7	84%	0.841	80%	0.798	S	S	*	*			trans	113.5	132.9	161.9	-58.8	176.5	178.3	0	0	117.2
244	L	39.9	Very low	42.9	Very low	167 Å²	167	153.4 Å²	153.4	87%	0.874	78%	0.78	S	S	*	*			trans	75.7	77.4	-177.1	-67.7	112.5	0	0	0	116.8	G246	L244-G246 PolarHBondContact O-N 3.45Å
245	E	42.6	Very low	43.3	Very low	191 Å²	191	153 Å²	153	89%	0.893	77%	0.772	S	S	*	*			trans	-56.4	87.9	154.3	-164.7	174.3	-156.8	0	0	109.7
246	G	47.3	Very low	44.1	Very low	53 Å²	53	151.3 Å²	151.3	55%	0.546	76%	0.759	S	S	.	*			trans	-62.8	134.8	169.7	0	0	0	0	0	110.2	L244 R248	L244-G246 PolarHBondContact O-N 3.45Å; G246-R248 WeakPolarHBondContact O-CG 3.49Å; G246-R248 PolarHBondContact O-N 3.25Å
247	V	48.5	Very low	44.8	Very low	138 Å²	138	145.3 Å²	145.3	84%	0.836	75%	0.745	S	S	*	*			trans	-54.8	102.4	-176.5	-172.4	0	0	0	0	110.9	G249	V247-G249 PolarHBondContact O-N 2.99Å
248	R	45.2	Very low	46.1	Very low	225 Å²	225	136.6 Å²	136.6	85%	0.849	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	21.7	-174.5	-78	-176.4	169.5	-154.5	-0.4	115.2	G246	G246-R248 WeakPolarHBondContact O-CG 3.49Å; G246-R248 PolarHBondContact O-N 3.25Å
249	G	51.1	Low	48	Very low	63 Å²	63	137.6 Å²	137.6	65%	0.649	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	-10.9	-167.2	0	0	0	0	0	118.1	V247	V247-G249 PolarHBondContact O-N 2.99Å
250	L	52.8	Low	49.9	Very low	117 Å²	117	132.9 Å²	132.9	61%	0.613	69%	0.69	S	S	*	*			trans	-109.5	28.4	-168.6	-89.4	88.7	0	0	0	115.5	N252 L253	L250-N252 PolarHBondContact O-N 2.93Å; L250-N252 VanDerWaalsContact O-N 3.11Å; L250-L253 HydrophobicContact CD2-CB 4.47Å; L250-L253 HydrophobicContact CD2-CD1 4.41Å; L250-L253 CarbonylContact O-C 3.57Å; L250-L253 PolarHBondContact O-N 2.85Å; L250-L253 VanDerWaalsContact O-N 3.11Å
251	K	47.8	Very low	52.2	Low	186 Å²	186	129.4 Å²	129.4	81%	0.809	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	-17.3	-178	-84.6	-176.6	175.7	180	0	116
252	N	52	Low	54.6	Low	165 Å²	165	129.7 Å²	129.7	88%	0.882	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-2.5	177.3	-73.4	-2.2	0	0	0	113.7	L250	L250-N252 PolarHBondContact O-N 2.93Å; L250-N252 VanDerWaalsContact O-N 3.11Å
253	L	48.7	Very low	57.1	Low	113 Å²	113	118.9 Å²	118.9	59%	0.592	61%	0.611	S	S	*	*	S	Bend	trans	-119.2	82.9	170.7	-75.4	160	0	0	0	106.6	L250	L250-L253 HydrophobicContact CD2-CB 4.47Å; L250-L253 HydrophobicContact CD2-CD1 4.41Å; L250-L253 CarbonylContact O-C 3.57Å; L250-L253 PolarHBondContact O-N 2.85Å; L250-L253 VanDerWaalsContact O-N 3.11Å
254	G	47	Very low	59.9	Low	35 Å²	35	110.3 Å²	110.3	36%	0.361	57%	0.571	S	S	.	*			trans	-50.7	149.8	166.6	0	0	0	0	0	109.9	R256	G254-R256 VanDerWaalsContact C-N 3.31Å; G254-R256 PolarHBondContact O-N 2.82Å
255	V	54.3	Low	62.3	Low	105 Å²	105	103 Å²	103	64%	0.636	53%	0.532	S	S	*	.			trans	-59.5	97.6	174.3	-172.4	0	0	0	0	107.1
256	R	54.5	Low	64.5	Low	138 Å²	138	93.9 Å²	93.9	52%	0.521	49%	0.49	S	S	.	.			trans	-84.5	139.6	172.9	-68.3	-178.7	-179.1	-175.1	-1	106.7	G254 L258	G254-R256 VanDerWaalsContact C-N 3.31Å; G254-R256 PolarHBondContact O-N 2.82Å; R256-L258 PolarHBondContact O-N 2.82Å
257	D	56.1	Low	66.2	Low	115 Å²	115	92.9 Å²	92.9	62%	0.615	47%	0.472	S	S	*	.			trans	-64.9	103.4	167.5	-76.6	-27.5	0	0	0	107.5
258	L	64.3	Low	67.9	Low	77 Å²	77	86.5 Å²	86.5	40%	0.403	43%	0.433	S	S	.	.			trans	-89.3	115.2	177.7	-68.7	168.5	0	0	0	107.7	L222 R256 Y260	L222-L258 HydrophobicContact CD2-CD2 3.71Å; R256-L258 PolarHBondContact O-N 2.82Å; L258-Y260 HydrophobicContact CB-CD2 4.15Å; L258-Y260 HydrophobicContact CB-CE2 3.49Å; L258-Y260 VanDerWaalsContact CB-CE2 3.49Å; L258-Y260 HydrophobicContact CD1-CE2 4.3Å; L258-Y260 WeakPolarHBondContact CD1-OH 3.25Å; L258-Y260 WeakPolarHBondContact O-CD2 3.39Å
259	N	75.7	Confident	69.8	Low	92 Å²	92	76.3 Å²	76.3	49%	0.492	40%	0.395	S	S	.	.			trans	-80.2	121	169.8	-75.3	-27.2	0	0	0	109.1	D218 Q221	D218-N259 PolarHBondContact N-O 3.01Å; Q221-N259 PolarHBondContact OE1-ND2 2.74Å
260	Y	79.7	Confident	71.3	Confident	137 Å²	137	75 Å²	75	54%	0.537	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	138.2	175.6	-68.5	-87.5	0	0	0	110.1	A215 I216 P217 L258	A215-Y260 HydrophobicContact CB-CD1 4.21Å; I216-Y260 WeakPolarHBondContact O-CA 3.16Å; P217-Y260 HydrophobicContact CB-CD1 4.11Å; P217-Y260 HydrophobicContact CB-CE1 3.88Å; L258-Y260 HydrophobicContact CB-CD2 4.15Å; L258-Y260 HydrophobicContact CB-CE2 3.49Å; L258-Y260 VanDerWaalsContact CB-CE2 3.49Å; L258-Y260 HydrophobicContact CD1-CE2 4.3Å; L258-Y260 WeakPolarHBondContact CD1-OH 3.25Å; L258-Y260 WeakPolarHBondContact O-CD2 3.39Å
261	R	82.2	Confident	72.4	Confident	121 Å²	121	70.6 Å²	70.6	46%	0.457	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	136	169.7	-173.1	176.4	178.3	168.6	2	109.2	D190 I216 E405	D190-R261 IonicContact OD1-NH2 3.6Å; D190-R261 IonicContact OD2-CZ 2.83Å; D190-R261 IonicContact OD2-NE 3.72Å; D190-R261 IonicContact OD2-NH1 3.7Å; D190-R261 IonicContact OD2-NH2 3.13Å; D190-R261 PolarHBondContact OD2-NH2 3.13Å; I216-R261 PolarHBondContact N-O 2.75Å; I216-R261 PolarHBondContact O-N 3.19Å; R261-E405 IonicContact NH1-OE1 3.34Å; R261-E405 PolarHBondContact NH1-OE1 3.18Å; R261-E405 IonicContact NH2-OE1 2.71Å
262	L	87.8	Confident	73.3	Confident	75 Å²	75	64.2 Å²	64.2	39%	0.393	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	131.1	171.6	-66.5	175.4	0	0	0	109.7	I96 L213 A215	I96-L262 HydrophobicContact CD1-CD2 4.02Å; I96-L262 HydrophobicContact CG1-CD2 4.32Å; L213-L262 HydrophobicContact CD1-CB 4.5Å; L213-L262 HydrophobicContact CD2-CD2 4.39Å; L213-L262 HydrophobicContact CG-CD2 4.46Å; A215-L262 HydrophobicContact CB-CD2 4.48Å
263	A	89.6	Confident	73.7	Confident	4 Å²	4	58.3 Å²	58.3	3%	0.033	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	155.1	172.1	0	0	0	0	0	109.3	D190 I192 I214 I216	D190-A263 WeakPolarHBondContact O-CA 3.41Å; I192-A263 HydrophobicContact CD1-CB 4.27Å; I214-A263 HydrophobicContact CG1-CB 4.14Å; I214-A263 VanDerWaalsContact CG1-O 3.24Å; I214-A263 WeakPolarHBondContact CG1-O 3.42Å; I214-A263 PolarHBondContact N-O 3.22Å; I214-A263 PolarHBondContact O-N 3.32Å; I216-A263 HydrophobicContact CD1-CB 3.45Å; I216-A263 VanDerWaalsContact CD1-CB 3.45Å; I216-A263 HydrophobicContact CG1-CB 4.05Å
264	F	91.5	Very high	73.8	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	120.9	177.3	-171.2	-96.4	0	0	0	109.7	V100 I102 I189 D190 V191 I192 F209 L213 A266	V100-F264 WeakPolarHBondContact O-CZ 3.21Å; I102-F264 HydrophobicContact CD1-CB 4.21Å; I102-F264 HydrophobicContact CD1-CD1 3.54Å; I102-F264 HydrophobicContact CD1-CD2 3.82Å; I102-F264 HydrophobicContact CD1-CE1 3.74Å; I102-F264 HydrophobicContact CD1-CE2 4Å; I102-F264 HydrophobicContact CD1-CG 3.57Å; I102-F264 HydrophobicContact CD1-CZ 3.95Å; I102-F264 HydrophobicContact CG1-CD1 4.18Å; I102-F264 HydrophobicContact CG1-CE1 3.85Å; I102-F264 HydrophobicContact CG1-CE2 4.25Å; I102-F264 HydrophobicContact CG1-CZ 3.87Å; I102-F264 HydrophobicContact CG2-CE2 4.03Å; I102-F264 HydrophobicContact CG2-CZ 4.27Å; I189-F264 HydrophobicContact CD1-CB 4.26Å; D190-F264 PolarHBondContact O-N 2.97Å; V191-F264 CarbonylContact C-O 3.46Å; V191-F264 WeakPolarHBondContact CA-O 3.45Å; V191-F264 HydrophobicContact CG1-CD1 4.2Å; V191-F264 HydrophobicContact CG2-CB 4.22Å; V191-F264 HydrophobicContact CG2-CD1 4.35Å; I192-F264 PolarHBondContact N-O 3.45Å; F209-F264 HydrophobicContact CB-CD1 4.3Å; F209-F264 HydrophobicContact CB-CE1 3.75Å; L213-F264 HydrophobicContact CD1-CD2 4.44Å; F264-A266 HydrophobicContact CD1-CB 4.15Å; F264-A266 HydrophobicContact CE1-CB 4.08Å
265	H	90.1	Very high	74	Confident	13 Å²	13	61.4 Å²	61.4	6%	0.06	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	110.7	175.5	-176.5	-97.3	0	0	0	109	R194 G211 A212 I214 N267	R194-H265 WeakPolarHBondContact CD-NE2 3.4Å; G211-H265 CarbonylContact C-O 3.51Å; G211-H265 WeakPolarHBondContact CA-O 3.49Å; A212-H265 PolarHBondContact N-O 3.42Å; A212-H265 PolarHBondContact O-N 3.06Å; I214-H265 HydrophobicContact CD1-CB 3.96Å; I214-H265 HydrophobicContact CG1-CB 4.18Å; I214-H265 HydrophobicContact CG2-CB 4.15Å; H265-N267 PolarHBondContact CE1-OD1 3.37Å; H265-N267 PolarHBondContact ND1-OD1 3.46Å
266	A	89	Confident	73.3	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	124.6	-177.3	0	0	0	0	0	111	V191 I192 I193 F209 F264 L269	V191-A266 HydrophobicContact CG1-CB 3.53Å; I192-A266 PolarHBondContact O-N 2.87Å; I193-A266 HydrophobicContact CG1-CB 4.49Å; F209-A266 HydrophobicContact CB-CB 4.17Å; F209-A266 HydrophobicContact CD1-CB 3.99Å; F264-A266 HydrophobicContact CD1-CB 4.15Å; F264-A266 HydrophobicContact CE1-CB 4.08Å; A266-L269 HydrophobicContact CB-CD2 4.44Å
267	N	81.8	Confident	72.4	Confident	31 Å²	31	53.8 Å²	53.8	17%	0.166	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-23.8	176.9	-68.7	-24.7	0	0	0	112.5	H44 C197 T210 H265	H44-N267 PolarHBondContact ND1-ND2 2.95Å; C197-N267 PolarHBondContact SG-O 3.35Å; T210-N267 PolarHBondContact O-N 3.11Å; H265-N267 PolarHBondContact CE1-OD1 3.37Å; H265-N267 PolarHBondContact ND1-OD1 3.46Å
268	N	85	Confident	71.7	Confident	5 Å²	5	50.2 Å²	50.2	3%	0.027	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	143.6	178.9	-171.6	24.9	0	0	0	111	I79 E80 T210	I79-N268 WeakPolarHBondContact O-CB 3.49Å; I79-N268 PolarHBondContact O-ND2 2.86Å; E80-N268 WeakPolarHBondContact CG-ND2 3.28Å; T210-N268 PolarHBondContact N-O 3.07Å; T210-N268 PolarHBondContact O-N 3.34Å
269	L	85	Confident	70.5	Confident	10 Å²	10	51.4 Å²	51.4	5%	0.052	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	112.5	-176.3	-59.2	162.4	0	0	0	107.2	I193 C197 R200 F207 F209 A266	I193-L269 HydrophobicContact CD1-CD1 3.91Å; I193-L269 HydrophobicContact CD1-CD2 4.08Å; I193-L269 HydrophobicContact CG1-CD1 4.37Å; I193-L269 HydrophobicContact CG1-CD2 4.37Å; I193-L269 HydrophobicContact CG2-CD1 3.96Å; C197-L269 HydrophobicContact CB-CD1 3.58Å; C197-L269 HydrophobicContact CB-CG 4.29Å; C197-L269 WeakPolarHBondContact O-CD1 3.4Å; R200-L269 HydrophobicContact CB-CD1 4.24Å; F207-L269 HydrophobicContact CD1-CB 4.16Å; F207-L269 HydrophobicContact CE1-CB 4.43Å; F209-L269 HydrophobicContact CD1-CD2 3.09Å; F209-L269 HydrophobicContact CE1-CD2 3.18Å; F209-L269 HydrophobicContact CG-CD2 4.16Å; F209-L269 HydrophobicContact CZ-CD2 4.3Å; A266-L269 HydrophobicContact CB-CD2 4.44Å
270	V	82.3	Confident	69.2	Low	36 Å²	36	50.4 Å²	50.4	22%	0.218	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123	175.4	-177.3	0	0	0	0	108.1	R208 S272	R208-V270 PolarHBondContact N-O 3.48Å; R208-V270 PolarHBondContact O-N 2.83Å; V270-S272 PolarHBondContact O-N 3.15Å
271	P	76.3	Confident	67.5	Low	25 Å²	25	45.8 Å²	45.8	16%	0.162	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	136	175	26.3	-32.6	0	0	0	109.4	F207 C275	F207-P271 HydrophobicContact CD1-CB 4.31Å; F207-P271 HydrophobicContact CE1-CB 4.05Å; P271-C275 HydrophobicContact CG-CB 4.4Å
272	S	66.7	Low	65.6	Low	51 Å²	51	45.9 Å²	45.9	36%	0.357	25%	0.249	S	C	.	.	S	Bend	trans	-84	-20.2	-177.5	-170.6	0	0	0	0	113.4	H103 R206 V270	H103-S272 WeakPolarHBondContact CE1-CB 3.44Å; H103-S272 PolarHBondContact CE1-OG 3.29Å; H103-S272 VanDerWaalsContact CE1-OG 3.27Å; R206-S272 PolarHBondContact O-N 3.43Å; V270-S272 PolarHBondContact O-N 3.15Å
273	E	59.9	Low	63.4	Low	42 Å²	42	49.6 Å²	49.6	20%	0.196	26%	0.264	C	S	.	.	S	Bend	trans	-80.1	143.1	176.6	-72.1	165.9	-157.5	0	0	109.8	R206 C275 P381	R206-E273 VanDerWaalsContact CD-OE1 3.29Å; R206-E273 WeakPolarHBondContact CD-OE1 3.22Å; R206-E273 WeakPolarHBondContact CG-OE1 3.37Å; R206-E273 IonicContact NE-OE1 3.56Å; E273-C275 VanDerWaalsContact C-N 3.32Å; E273-C275 PolarHBondContact O-N 3.28Å; E273-C275 PolarHBondContact O-SG 2.72Å; E273-C275 VanDerWaalsContact O-SG 3.33Å; E273-P381 HydrophobicContact CB-CB 4.05Å; E273-P381 HydrophobicContact CG-CB 3.97Å
274	Y	51.6	Low	60.8	Low	169 Å²	169	59 Å²	59	66%	0.663	30%	0.299	S	S	*	.			trans	-55.3	92.7	-176.5	-116.9	-91.8	0	0	0	110.6
275	C	50.9	Low	58.5	Low	43 Å²	43	64.9 Å²	64.9	29%	0.291	33%	0.327	S	S	.	.			trans	-101.1	122.1	167.9	-62.3	0	0	0	0	106.1	P271 E273 G277 G278	P271-C275 HydrophobicContact CG-CB 4.4Å; E273-C275 VanDerWaalsContact C-N 3.32Å; E273-C275 PolarHBondContact O-N 3.28Å; E273-C275 PolarHBondContact O-SG 2.72Å; E273-C275 VanDerWaalsContact O-SG 3.33Å; C275-G277 PolarHBondContact O-N 3Å; C275-G278 PolarHBondContact O-N 2.84Å; C275-G278 VanDerWaalsContact O-N 3.11Å
276	F	38.6	Very low	56.3	Low	27 Å²	27	72.7 Å²	72.7	12%	0.118	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-46.8	112.6	173.5	-111.8	-79.4	0	0	0	110.6	G278 W281 M296 P297 D300 C541	F276-G278 PolarHBondContact O-N 2.88Å; F276-W281 PolarHBondContact O-NE1 2.77Å; F276-M296 HydrophobicContact CD1-CB 3.97Å; F276-M296 HydrophobicContact CD1-CE 4Å; F276-M296 HydrophobicContact CD1-CG 3.49Å; F276-M296 VanDerWaalsContact CD1-CG 3.49Å; F276-M296 HydrophobicContact CD1-SD 4.16Å; F276-M296 HydrophobicContact CD2-CE 3.59Å; F276-M296 HydrophobicContact CE1-CB 3.43Å; F276-M296 VanDerWaalsContact CE1-CB 3.43Å; F276-M296 HydrophobicContact CE1-CE 3.75Å; F276-M296 HydrophobicContact CE1-CG 3.17Å; F276-M296 HydrophobicContact CE1-SD 3.47Å; F276-M296 WeakPolarHBondContact CE1-SD 3.43Å; F276-M296 HydrophobicContact CE2-CE 3.3Å; F276-M296 HydrophobicContact CE2-CG 4.49Å; F276-M296 HydrophobicContact CE2-SD 3.92Å; F276-M296 HydrophobicContact CG-CE 3.92Å; F276-M296 HydrophobicContact CG-CG 4.28Å; F276-M296 HydrophobicContact CZ-CB 4.23Å; F276-M296 HydrophobicContact CZ-CE 3.38Å; F276-M296 HydrophobicContact CZ-CG 3.73Å; F276-M296 HydrophobicContact CZ-SD 3.3Å; F276-M296 WeakPolarHBondContact CZ-SD 3.49Å; F276-P297 HydrophobicContact CE1-CG 4.1Å; F276-D300 HydrophobicContact CE1-CB 4.08Å; F276-D300 HydrophobicContact CZ-CB 3.84Å; F276-C541 HydrophobicContact CE2-CB 4.38Å; F276-C541 VanDerWaalsContact CE2-SG 3.51Å; F276-C541 WeakPolarHBondContact CZ-SG 3.31Å
277	G	37.3	Very low	54.6	Low	57 Å²	57	74.6 Å²	74.6	59%	0.588	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	69.7	21.6	175.3	0	0	0	0	0	116.6	C275 N279	C275-G277 PolarHBondContact O-N 3Å; G277-N279 PolarHBondContact O-N 2.79Å
278	G	40.3	Very low	53.4	Low	39 Å²	39	75.5 Å²	75.5	40%	0.402	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	72.8	-1.8	173	0	0	0	0	0	115.8	C275 F276	C275-G278 PolarHBondContact O-N 2.84Å; C275-G278 VanDerWaalsContact O-N 3.11Å; F276-G278 PolarHBondContact O-N 2.88Å
279	N	39.5	Very low	52.2	Low	103 Å²	103	77.6 Å²	77.6	55%	0.551	40%	0.401	S	S	*	.	S	Bend	trans	-107.8	142.8	174.5	-81.2	-17.5	0	0	0	110.9	G277 W281	G277-N279 PolarHBondContact O-N 2.79Å; N279-W281 PolarHBondContact O-N 2.98Å
280	R	47.4	Very low	51.3	Low	71 Å²	71	83 Å²	83	27%	0.268	43%	0.426	S	S	.	.			trans	-70.8	111.2	165.4	-75.6	-179.4	175.1	-179.4	-5.1	109	R200 D205 F282	R200-R280 PolarHBondContact O-NH1 3.13Å; D205-R280 IonicContact OD1-NH2 2.9Å; D205-R280 PolarHBondContact OD1-NH2 3.1Å; D205-R280 IonicContact OD2-CZ 3.22Å; D205-R280 IonicContact OD2-NH1 2.72Å; D205-R280 PolarHBondContact OD2-NH1 2.87Å; D205-R280 IonicContact OD2-NH2 3.86Å; D205-R280 PolarHBondContact OD2-NH2 2.98Å; R280-F282 PolarHBondContact O-N 2.64Å
281	W	45.8	Very low	50.5	Low	40 Å²	40	84.5 Å²	84.5	15%	0.152	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-75.5	-4.3	170.7	-69.1	70.4	0	0	0	113.2	F276 N279 E283 V287 I292 L295 F548	F276-W281 PolarHBondContact O-NE1 2.77Å; N279-W281 PolarHBondContact O-N 2.98Å; W281-E283 VanDerWaalsContact C-N 3.26Å; W281-E283 PolarHBondContact O-N 2.83Å; W281-V287 HydrophobicContact CE3-CB 4.39Å; W281-V287 HydrophobicContact CE3-CG1 4.13Å; W281-V287 HydrophobicContact CE3-CG2 4.27Å; W281-V287 HydrophobicContact CZ3-CB 4.45Å; W281-V287 HydrophobicContact CZ3-CG1 3.72Å; W281-I292 HydrophobicContact CE3-CG1 3.71Å; W281-I292 VanDerWaalsContact CH2-CA 3.5Å; W281-I292 HydrophobicContact CH2-CB 4.18Å; W281-I292 HydrophobicContact CH2-CG1 4Å; W281-I292 HydrophobicContact CH2-CG2 4.41Å; W281-I292 HydrophobicContact CZ3-CB 3.95Å; W281-I292 HydrophobicContact CZ3-CG1 3.27Å; W281-I292 HydrophobicContact CZ3-CG2 4.43Å; W281-L295 HydrophobicContact CH2-CB 3.24Å; W281-L295 HydrophobicContact CH2-CD2 3.59Å; W281-L295 HydrophobicContact CH2-CG 3.9Å; W281-L295 HydrophobicContact CZ2-CB 3.32Å; W281-L295 HydrophobicContact CZ2-CD2 3.03Å; W281-L295 HydrophobicContact CZ2-CG 3.7Å; W281-F548 HydrophobicContact CB-CE1 4.49Å; W281-F548 HydrophobicContact CB-CZ 4.22Å
282	F	42.3	Very low	49.9	Very low	123 Å²	123	83.4 Å²	83.4	54%	0.539	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-73.3	-13.3	-175.7	-86.8	-82.2	0	0	0	114.1	R280 N421	R280-F282 PolarHBondContact O-N 2.64Å; F282-N421 HydrophobicContact CE1-CB 3.78Å; F282-N421 HydrophobicContact CZ-CB 4.11Å
283	E	40.1	Very low	50.1	Low	152 Å²	152	85.1 Å²	85.1	71%	0.71	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-96.2	-6.4	-178.6	-88.1	171.5	-174.7	0	0	115.4	W281	W281-E283 VanDerWaalsContact C-N 3.26Å; W281-E283 PolarHBondContact O-N 2.83Å
284	R	35.9	Very low	50.5	Low	201 Å²	201	90.5 Å²	90.5	76%	0.758	45%	0.449	S	S	*	.			trans	-101	87.5	168.6	-82.1	-175.7	174.9	176.1	-1.2	110	M286 V287	R284-M286 PolarHBondContact O-N 2.87Å; R284-V287 HydrophobicContact CB-CG2 3.38Å; R284-V287 HydrophobicContact CG-CG2 4.44Å
285	E	43.2	Very low	51.2	Low	124 Å²	124	86.9 Å²	86.9	58%	0.579	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	114.3	152.9	-68.2	-169.6	166.2	0	0	106.4	R346	E285-R346 IonicContact OE1-CZ 3.42Å; E285-R346 IonicContact OE1-NH1 3.27Å; E285-R346 PolarHBondContact OE1-NH1 2.76Å; E285-R346 IonicContact OE1-NH2 2.76Å; E285-R346 PolarHBondContact OE1-NH2 3.1Å; E285-R346 IonicContact OE2-CZ 3.9Å; E285-R346 IonicContact OE2-NH1 3Å; E285-R346 PolarHBondContact OE2-NH1 2.77Å; E285-R346 IonicContact OE2-NH2 3.91Å
286	M	42.7	Very low	51.9	Low	177 Å²	177	85.1 Å²	85.1	87%	0.872	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.9	39.1	-179.3	-47.1	-166.3	-177.1	0	0	118.9	R284	R284-M286 PolarHBondContact O-N 2.87Å
287	V	54.2	Low	53.5	Low	40 Å²	40	86.5 Å²	86.5	24%	0.242	44%	0.44	C	S	.	.			trans	-83.7	119.6	161	-161.4	0	0	0	0	110.5	W281 R284 D291 I292	W281-V287 HydrophobicContact CE3-CB 4.39Å; W281-V287 HydrophobicContact CE3-CG1 4.13Å; W281-V287 HydrophobicContact CE3-CG2 4.27Å; W281-V287 HydrophobicContact CZ3-CB 4.45Å; W281-V287 HydrophobicContact CZ3-CG1 3.72Å; R284-V287 HydrophobicContact CB-CG2 3.38Å; R284-V287 HydrophobicContact CG-CG2 4.44Å; V287-D291 HydrophobicContact CG1-CB 3.48Å; V287-D291 VanDerWaalsContact CG1-CB 3.48Å; V287-I292 HydrophobicContact CB-CD1 4.45Å; V287-I292 HydrophobicContact CB-CG1 4.37Å; V287-I292 HydrophobicContact CG1-CD1 4.46Å; V287-I292 HydrophobicContact CG1-CG1 3.95Å
288	S	56.4	Low	55.4	Low	51 Å²	51	91.9 Å²	91.9	36%	0.357	45%	0.45	S	S	.	.			trans	-62.8	151.9	175.7	77	0	0	0	0	110.3	E290 D291 I292	S288-E290 PolarHBondContact O-N 3.22Å; S288-D291 PolarHBondContact O-N 2.79Å; S288-D291 VanDerWaalsContact O-N 3.13Å; S288-D291 PolarHBondContact OG-N 2.87Å; S288-D291 PolarHBondContact OG-OD2 3.48Å; S288-I292 PolarHBondContact O-N 2.88Å
289	S	60.2	Low	57.2	Low	49 Å²	49	93.5 Å²	93.5	34%	0.343	46%	0.455	S	S	.	.	H	α-helix	trans	-58	-19.6	176	72.6	0	0	0	0	113.4	K293	S289-K293 WeakPolarHBondContact O-CD 3.39Å; S289-K293 VanDerWaalsContact O-CG 3.26Å; S289-K293 WeakPolarHBondContact O-CG 3.32Å; S289-K293 PolarHBondContact O-N 3.28Å
290	E	65.2	Low	59	Low	123 Å²	123	90.6 Å²	90.6	58%	0.575	44%	0.439	S	S	*	.	H	α-helix	trans	-80.3	-39.3	179.2	-61.4	-172.6	172.8	0	0	112.1	S288 I292 K293 K294	S288-E290 PolarHBondContact O-N 3.22Å; E290-I292 VanDerWaalsContact C-N 3.27Å; E290-I292 PolarHBondContact O-N 2.88Å; E290-K293 PolarHBondContact O-N 3.16Å; E290-K294 WeakPolarHBondContact O-CG 3.38Å; E290-K294 PolarHBondContact O-N 3.38Å; E290-K294 VanDerWaalsContact O-N 3.1Å
291	D	65.8	Low	60.5	Low	68 Å²	68	88 Å²	88	36%	0.364	43%	0.431	S	S	.	.	H	α-helix	trans	-68.9	-31.9	177.5	-61.1	-39.2	0	0	0	111.4	V287 S288 K294 L295	V287-D291 HydrophobicContact CG1-CB 3.48Å; V287-D291 VanDerWaalsContact CG1-CB 3.48Å; S288-D291 PolarHBondContact O-N 2.79Å; S288-D291 VanDerWaalsContact O-N 3.13Å; S288-D291 PolarHBondContact OG-N 2.87Å; S288-D291 PolarHBondContact OG-OD2 3.48Å; D291-K294 PolarHBondContact O-N 3.4Å; D291-K294 IonicContact OD1-NZ 3.43Å; D291-K294 PolarHBondContact OD1-NZ 3.37Å; D291-L295 PolarHBondContact O-N 3.42Å
292	I	64.4	Low	62.3	Low	2 Å²	2	88.8 Å²	88.8	1%	0.01	45%	0.446	C	S	.	.	H	α-helix	trans	-63.4	-50	171	-64.7	153.1	0	0	0	110.8	W281 V287 S288 E290 K294 L295 M296 F548	W281-I292 HydrophobicContact CE3-CG1 3.71Å; W281-I292 VanDerWaalsContact CH2-CA 3.5Å; W281-I292 HydrophobicContact CH2-CB 4.18Å; W281-I292 HydrophobicContact CH2-CG1 4Å; W281-I292 HydrophobicContact CH2-CG2 4.41Å; W281-I292 HydrophobicContact CZ3-CB 3.95Å; W281-I292 HydrophobicContact CZ3-CG1 3.27Å; W281-I292 HydrophobicContact CZ3-CG2 4.43Å; V287-I292 HydrophobicContact CB-CD1 4.45Å; V287-I292 HydrophobicContact CB-CG1 4.37Å; V287-I292 HydrophobicContact CG1-CD1 4.46Å; V287-I292 HydrophobicContact CG1-CG1 3.95Å; S288-I292 PolarHBondContact O-N 2.88Å; E290-I292 VanDerWaalsContact C-N 3.27Å; E290-I292 PolarHBondContact O-N 2.88Å; I292-K294 PolarHBondContact O-N 3.4Å; I292-K294 VanDerWaalsContact O-N 3.13Å; I292-L295 PolarHBondContact O-N 2.8Å; I292-L295 VanDerWaalsContact O-N 3.08Å; I292-M296 HydrophobicContact CG2-CE 3.61Å; I292-M296 HydrophobicContact CG2-CG 4.1Å; I292-M296 HydrophobicContact CG2-SD 4.24Å; I292-M296 VanDerWaalsContact O-CG 3.3Å; I292-M296 WeakPolarHBondContact O-CG 3.45Å; I292-M296 PolarHBondContact O-N 3.36Å; I292-F548 HydrophobicContact CD1-CB 3.74Å; I292-F548 HydrophobicContact CD1-CD1 3.27Å; I292-F548 HydrophobicContact CD1-CD2 3.91Å; I292-F548 HydrophobicContact CD1-CE1 3.72Å; I292-F548 HydrophobicContact CD1-CE2 4.31Å; I292-F548 HydrophobicContact CD1-CG 3.38Å; I292-F548 HydrophobicContact CD1-CZ 4.22Å; I292-F548 HydrophobicContact CG1-CD1 4.36Å; I292-F548 HydrophobicContact CG1-CE1 4.39Å; I292-F548 HydrophobicContact CG1-CG 4.47Å; I292-F548 HydrophobicContact CG2-CD2 4.15Å; I292-F548 HydrophobicContact CG2-CE2 4.17Å
293	K	69.3	Low	64.2	Low	87 Å²	87	85 Å²	85	38%	0.378	43%	0.433	S	S	.	.	H	α-helix	trans	-57.2	-29.8	176.7	-71.4	166.9	-170.4	167.8	0	112.9	S289 E290 L301 F545	S289-K293 WeakPolarHBondContact O-CD 3.39Å; S289-K293 VanDerWaalsContact O-CG 3.26Å; S289-K293 WeakPolarHBondContact O-CG 3.32Å; S289-K293 PolarHBondContact O-N 3.28Å; E290-K293 PolarHBondContact O-N 3.16Å; K293-L301 VanDerWaalsContact O-CD1 3.3Å; K293-L301 WeakPolarHBondContact O-CD1 3.42Å; K293-F545 HydrophobicContact CG-CE2 4.2Å
294	K	69.4	Low	66.3	Low	154 Å²	154	78 Å²	78	67%	0.67	40%	0.4	S	S	*	.	H	α-helix	trans	-74.9	-30.4	178.9	-71.4	171.3	-169.1	161.7	0	113.4	E290 D291 I292	E290-K294 WeakPolarHBondContact O-CG 3.38Å; E290-K294 PolarHBondContact O-N 3.38Å; E290-K294 VanDerWaalsContact O-N 3.1Å; D291-K294 PolarHBondContact O-N 3.4Å; D291-K294 IonicContact OD1-NZ 3.43Å; D291-K294 PolarHBondContact OD1-NZ 3.37Å; I292-K294 PolarHBondContact O-N 3.4Å; I292-K294 VanDerWaalsContact O-N 3.13Å
295	L	66.1	Low	68.7	Low	93 Å²	93	75.9 Å²	75.9	49%	0.487	39%	0.392	S	S	.	.	H	α-helix	trans	-97.2	-14.3	-174.6	-142.8	101.1	0	0	0	112.2	W281 D291 I292	W281-L295 HydrophobicContact CH2-CB 3.24Å; W281-L295 HydrophobicContact CH2-CD2 3.59Å; W281-L295 HydrophobicContact CH2-CG 3.9Å; W281-L295 HydrophobicContact CZ2-CB 3.32Å; W281-L295 HydrophobicContact CZ2-CD2 3.03Å; W281-L295 HydrophobicContact CZ2-CG 3.7Å; D291-L295 PolarHBondContact O-N 3.42Å; I292-L295 PolarHBondContact O-N 2.8Å; I292-L295 VanDerWaalsContact O-N 3.08Å
296	M	66.4	Low	70.8	Confident	7 Å²	7	72.6 Å²	72.6	3%	0.034	39%	0.386	C	S	.	.	S	Bend	trans	-70.7	131.8	172.7	-70.6	-157.8	162.5	0	0	110.6	F276 I292 E298 L301 F545	F276-M296 HydrophobicContact CD1-CB 3.97Å; F276-M296 HydrophobicContact CD1-CE 4Å; F276-M296 HydrophobicContact CD1-CG 3.49Å; F276-M296 VanDerWaalsContact CD1-CG 3.49Å; F276-M296 HydrophobicContact CD1-SD 4.16Å; F276-M296 HydrophobicContact CD2-CE 3.59Å; F276-M296 HydrophobicContact CE1-CB 3.43Å; F276-M296 VanDerWaalsContact CE1-CB 3.43Å; F276-M296 HydrophobicContact CE1-CE 3.75Å; F276-M296 HydrophobicContact CE1-CG 3.17Å; F276-M296 HydrophobicContact CE1-SD 3.47Å; F276-M296 WeakPolarHBondContact CE1-SD 3.43Å; F276-M296 HydrophobicContact CE2-CE 3.3Å; F276-M296 HydrophobicContact CE2-CG 4.49Å; F276-M296 HydrophobicContact CE2-SD 3.92Å; F276-M296 HydrophobicContact CG-CE 3.92Å; F276-M296 HydrophobicContact CG-CG 4.28Å; F276-M296 HydrophobicContact CZ-CB 4.23Å; F276-M296 HydrophobicContact CZ-CE 3.38Å; F276-M296 HydrophobicContact CZ-CG 3.73Å; F276-M296 HydrophobicContact CZ-SD 3.3Å; F276-M296 WeakPolarHBondContact CZ-SD 3.49Å; I292-M296 HydrophobicContact CG2-CE 3.61Å; I292-M296 HydrophobicContact CG2-CG 4.1Å; I292-M296 HydrophobicContact CG2-SD 4.24Å; I292-M296 VanDerWaalsContact O-CG 3.3Å; I292-M296 WeakPolarHBondContact O-CG 3.45Å; I292-M296 PolarHBondContact O-N 3.36Å; M296-E298 PolarHBondContact O-N 3.16Å; M296-L301 HydrophobicContact CB-CD1 3.98Å; M296-L301 HydrophobicContact CB-CD2 3.86Å; M296-L301 HydrophobicContact CB-CG 3.73Å; M296-L301 HydrophobicContact CG-CD2 4.29Å; M296-L301 HydrophobicContact SD-CD2 3.74Å; M296-L301 HydrophobicContact SD-CG 4.49Å; M296-F545 HydrophobicContact CE-CB 4.02Å; M296-F545 HydrophobicContact CE-CD2 3.65Å; M296-F545 HydrophobicContact CE-CG 4.32Å; M296-F545 HydrophobicContact SD-CD2 3.6Å; M296-F545 HydrophobicContact SD-CE2 4.23Å; M296-F545 HydrophobicContact SD-CG 4.45Å
297	P	71.9	Confident	72.8	Confident	56 Å²	56	64.4 Å²	64.4	36%	0.364	35%	0.346	S	S	.	.			trans	-52.2	139.8	167.1	21.1	-36.2	0	0	0	111.8	F276 S299 D300 L301	F276-P297 HydrophobicContact CE1-CG 4.1Å; P297-S299 PolarHBondContact O-N 3.15Å; P297-D300 HydrophobicContact CG-CB 4.1Å; P297-D300 VanDerWaalsContact CG-OD2 3.27Å; P297-D300 WeakPolarHBondContact CG-OD2 3.17Å; P297-D300 PolarHBondContact O-N 3.1Å; P297-D300 VanDerWaalsContact O-N 3.12Å; P297-L301 PolarHBondContact O-N 3.38Å
298	E	76.8	Confident	74.4	Confident	170 Å²	170	69.6 Å²	69.6	79%	0.794	36%	0.361	S	S	*	.	H	α-helix	trans	-62.2	-27.5	-176.7	-64.2	-174	160.5	0	0	113	M296 D300 A302	M296-E298 PolarHBondContact O-N 3.16Å; E298-D300 VanDerWaalsContact C-N 3.34Å; E298-D300 PolarHBondContact O-N 2.62Å; E298-A302 WeakPolarHBondContact O-CB 3.33Å; E298-A302 PolarHBondContact O-N 3.31Å
299	S	77.4	Confident	75.8	Confident	72 Å²	72	77.1 Å²	77.1	50%	0.503	38%	0.382	S	S	.	.	H	α-helix	trans	-57.7	-47.2	174	53.5	0	0	0	0	111.9	P297 A302 T303	P297-S299 PolarHBondContact O-N 3.15Å; S299-A302 WeakPolarHBondContact O-CB 3.18Å; S299-A302 PolarHBondContact O-N 3.49Å; S299-T303 PolarHBondContact O-N 2.89Å; S299-T303 VanDerWaalsContact O-N 3.11Å
300	D	78.1	Confident	77.1	Confident	42 Å²	42	78.2 Å²	78.2	23%	0.225	38%	0.383	C	S	.	.	H	α-helix	trans	-76.8	-34.2	-172.8	-62.4	6.6	0	0	0	109.8	F276 P297 E298 A302 T303 V304	F276-D300 HydrophobicContact CE1-CB 4.08Å; F276-D300 HydrophobicContact CZ-CB 3.84Å; P297-D300 HydrophobicContact CG-CB 4.1Å; P297-D300 VanDerWaalsContact CG-OD2 3.27Å; P297-D300 WeakPolarHBondContact CG-OD2 3.17Å; P297-D300 PolarHBondContact O-N 3.1Å; P297-D300 VanDerWaalsContact O-N 3.12Å; E298-D300 VanDerWaalsContact C-N 3.34Å; E298-D300 PolarHBondContact O-N 2.62Å; D300-A302 VanDerWaalsContact C-N 3.3Å; D300-A302 PolarHBondContact O-N 2.8Å; D300-T303 WeakPolarHBondContact CA-OG1 3.26Å; D300-T303 PolarHBondContact O-N 3.05Å; D300-T303 PolarHBondContact O-OG1 2.82Å; D300-V304 WeakPolarHBondContact O-CB 3.34Å; D300-V304 WeakPolarHBondContact O-CG2 3.5Å; D300-V304 PolarHBondContact O-N 2.7Å
301	L	79	Confident	77.9	Confident	17 Å²	17	81.6 Å²	81.6	9%	0.089	40%	0.396	C	S	.	.	H	α-helix	trans	-64.4	-36.3	170.3	-69.2	172.8	0	0	0	112.1	K293 M296 P297 R305 F545	K293-L301 VanDerWaalsContact O-CD1 3.3Å; K293-L301 WeakPolarHBondContact O-CD1 3.42Å; M296-L301 HydrophobicContact CB-CD1 3.98Å; M296-L301 HydrophobicContact CB-CD2 3.86Å; M296-L301 HydrophobicContact CB-CG 3.73Å; M296-L301 HydrophobicContact CG-CD2 4.29Å; M296-L301 HydrophobicContact SD-CD2 3.74Å; M296-L301 HydrophobicContact SD-CG 4.49Å; P297-L301 PolarHBondContact O-N 3.38Å; L301-R305 VanDerWaalsContact O-CB 3.32Å; L301-R305 WeakPolarHBondContact O-CB 3.12Å; L301-R305 WeakPolarHBondContact O-CD 3.46Å; L301-R305 WeakPolarHBondContact O-CG 3Å; L301-R305 PolarHBondContact O-N 3.02Å; L301-F545 HydrophobicContact CD2-CE2 4.39Å
302	A	84.1	Confident	78.9	Confident	56 Å²	56	83.7 Å²	83.7	46%	0.463	41%	0.408	S	S	.	.	H	α-helix	trans	-66.7	-44	177.4	0	0	0	0	0	111.6	E298 S299 D300 R305 A306	E298-A302 WeakPolarHBondContact O-CB 3.33Å; E298-A302 PolarHBondContact O-N 3.31Å; S299-A302 WeakPolarHBondContact O-CB 3.18Å; S299-A302 PolarHBondContact O-N 3.49Å; D300-A302 VanDerWaalsContact C-N 3.3Å; D300-A302 PolarHBondContact O-N 2.8Å; A302-R305 PolarHBondContact O-N 3.17Å; A302-A306 PolarHBondContact O-N 2.93Å
303	T	81.4	Confident	80	Confident	44 Å²	44	83.7 Å²	83.7	27%	0.27	41%	0.408	S	S	.	.	H	α-helix	trans	-64.3	-45.2	176.1	57.4	0	0	0	0	111.4	S299 D300 R305 A306 M307	S299-T303 PolarHBondContact O-N 2.89Å; S299-T303 VanDerWaalsContact O-N 3.11Å; D300-T303 WeakPolarHBondContact CA-OG1 3.26Å; D300-T303 PolarHBondContact O-N 3.05Å; D300-T303 PolarHBondContact O-OG1 2.82Å; T303-R305 VanDerWaalsContact C-N 3.31Å; T303-R305 PolarHBondContact O-N 3.09Å; T303-A306 WeakPolarHBondContact O-CB 3.39Å; T303-A306 PolarHBondContact O-N 3.12Å; T303-A306 VanDerWaalsContact O-N 3.11Å; T303-M307 WeakPolarHBondContact O-CG 3.45Å; T303-M307 PolarHBondContact O-N 2.99Å
304	V	83.2	Confident	81	Confident	4 Å²	4	81 Å²	81	2%	0.024	40%	0.395	C	S	.	.	H	α-helix	trans	-59.8	-41	175.9	168.9	0	0	0	0	111.7	D300 M307 R308 Y542 F545	D300-V304 WeakPolarHBondContact O-CB 3.34Å; D300-V304 WeakPolarHBondContact O-CG2 3.5Å; D300-V304 PolarHBondContact O-N 2.7Å; V304-M307 PolarHBondContact O-N 2.88Å; V304-R308 WeakPolarHBondContact O-CB 3.44Å; V304-R308 PolarHBondContact O-N 2.91Å; V304-Y542 HydrophobicContact CB-CD2 4.37Å; V304-Y542 HydrophobicContact CG1-CD2 3.98Å; V304-Y542 HydrophobicContact CG1-CE2 4.13Å; V304-Y542 HydrophobicContact CG2-CD2 4.24Å; V304-F545 HydrophobicContact CG1-CD1 3.4Å; V304-F545 VanDerWaalsContact CG1-CD1 3.4Å; V304-F545 HydrophobicContact CG1-CE1 3.67Å; V304-F545 HydrophobicContact CG1-CG 4.03Å
305	R	86.4	Confident	82	Confident	158 Å²	158	76.5 Å²	76.5	60%	0.596	38%	0.38	S	S	*	.	H	α-helix	trans	-65	-38.3	175.6	-76.9	170	-176.1	172.7	3.4	112.2	L301 A302 T303 R309	L301-R305 VanDerWaalsContact O-CB 3.32Å; L301-R305 WeakPolarHBondContact O-CB 3.12Å; L301-R305 WeakPolarHBondContact O-CD 3.46Å; L301-R305 WeakPolarHBondContact O-CG 3Å; L301-R305 PolarHBondContact O-N 3.02Å; A302-R305 PolarHBondContact O-N 3.17Å; T303-R305 VanDerWaalsContact C-N 3.31Å; T303-R305 PolarHBondContact O-N 3.09Å; R305-R309 WeakPolarHBondContact O-CG 3.19Å; R305-R309 PolarHBondContact O-N 2.89Å
306	A	87.3	Confident	83.1	Confident	54 Å²	54	74 Å²	74	45%	0.446	37%	0.367	S	S	.	.	H	α-helix	trans	-63.9	-47.7	175.9	0	0	0	0	0	110.9	A302 T303 R308 R309	A302-A306 PolarHBondContact O-N 2.93Å; T303-A306 WeakPolarHBondContact O-CB 3.39Å; T303-A306 PolarHBondContact O-N 3.12Å; T303-A306 VanDerWaalsContact O-N 3.11Å; A306-R308 VanDerWaalsContact C-N 3.33Å; A306-R308 PolarHBondContact O-N 3.07Å; A306-R309 PolarHBondContact O-N 3.49Å
307	M	85.8	Confident	84.2	Confident	5 Å²	5	73.6 Å²	73.6	3%	0.025	37%	0.366	C	S	.	.	H	α-helix	trans	-59.8	-42.2	177.5	-69.2	-175.2	-175.7	0	0	112.6	T303 V304 R309 N310 L313 Y534 E538 Y542	T303-M307 WeakPolarHBondContact O-CG 3.45Å; T303-M307 PolarHBondContact O-N 2.99Å; V304-M307 PolarHBondContact O-N 2.88Å; M307-R309 PolarHBondContact O-N 3Å; M307-N310 PolarHBondContact O-N 2.88Å; M307-N310 VanDerWaalsContact O-N 3.13Å; M307-L313 HydrophobicContact CB-CD1 4.05Å; M307-Y534 HydrophobicContact CE-CD1 3.23Å; M307-Y534 HydrophobicContact CE-CE1 3.78Å; M307-Y534 HydrophobicContact CE-CG 3.77Å; M307-Y534 HydrophobicContact CG-CD1 4.19Å; M307-Y534 HydrophobicContact CG-CE1 3.79Å; M307-Y534 HydrophobicContact SD-CD1 4.21Å; M307-Y534 HydrophobicContact SD-CE1 4.36Å; M307-E538 HydrophobicContact CE-CB 3.46Å; M307-E538 VanDerWaalsContact CE-CB 3.46Å; M307-E538 HydrophobicContact CE-CG 3.95Å; M307-Y542 HydrophobicContact CB-CD2 3.98Å; M307-Y542 HydrophobicContact CB-CE2 3.97Å; M307-Y542 HydrophobicContact SD-CD2 4.11Å; M307-Y542 HydrophobicContact SD-CG 4.27Å
308	R	87	Confident	85.1	Confident	149 Å²	149	71 Å²	71	56%	0.562	35%	0.349	S	S	*	.	H	α-helix	trans	-61.4	-28.1	179.6	-175.3	178.4	176.8	-154.3	-2.8	113.6	V304 A306 N310	V304-R308 WeakPolarHBondContact O-CB 3.44Å; V304-R308 PolarHBondContact O-N 2.91Å; A306-R308 VanDerWaalsContact C-N 3.33Å; A306-R308 PolarHBondContact O-N 3.07Å; R308-N310 VanDerWaalsContact C-N 3.3Å
309	R	87.3	Confident	85.6	Confident	210 Å²	210	66.8 Å²	66.8	79%	0.792	33%	0.332	S	S	*	.	H	α-helix	trans	-76	-20.8	179.8	-71.5	175.5	-178.1	175.8	0.2	112.7	R305 A306 M307 K311	R305-R309 WeakPolarHBondContact O-CG 3.19Å; R305-R309 PolarHBondContact O-N 2.89Å; A306-R309 PolarHBondContact O-N 3.49Å; M307-R309 PolarHBondContact O-N 3Å; R309-K311 PolarHBondContact O-N 3.38Å
310	N	87.6	Confident	86.1	Confident	71 Å²	71	63.5 Å²	63.5	38%	0.38	31%	0.309	S	S	.	.			trans	-74.7	120.5	-175.8	-67.3	-15.3	0	0	0	110.1	M307 R308 N312 L313 Y534	M307-N310 PolarHBondContact O-N 2.88Å; M307-N310 VanDerWaalsContact O-N 3.13Å; R308-N310 VanDerWaalsContact C-N 3.3Å; N310-N312 VanDerWaalsContact C-N 3.3Å; N310-N312 PolarHBondContact O-N 2.87Å; N310-L313 WeakPolarHBondContact O-CB 3.3Å; N310-L313 PolarHBondContact O-N 3.33Å; N310-Y534 PolarHBondContact ND2-OH 3.16Å
311	K	82.1	Confident	86.4	Confident	195 Å²	195	62.5 Å²	62.5	85%	0.848	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-34.2	179.9	-67.1	-178.1	179.2	179.9	0	112.1	R309 L313	R309-K311 PolarHBondContact O-N 3.38Å; K311-L313 VanDerWaalsContact C-N 3.29Å; K311-L313 PolarHBondContact O-N 3.2Å
312	N	85.8	Confident	86.8	Confident	112 Å²	112	62 Å²	62	60%	0.599	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	19.1	-178.6	-62.9	-10	0	0	0	113.4	N310 Y314 T315 D316	N310-N312 VanDerWaalsContact C-N 3.3Å; N310-N312 PolarHBondContact O-N 2.87Å; N312-Y314 PolarHBondContact O-N 2.75Å; N312-T315 PolarHBondContact O-N 2.87Å; N312-T315 VanDerWaalsContact O-N 3.08Å; N312-D316 PolarHBondContact O-N 3.34Å
313	L	88.4	Confident	86.8	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-48.7	-39.1	-178.5	180	67.3	0	0	0	112.4	M307 N310 K311 T315 D316 L317 Y534 Y542 L601	M307-L313 HydrophobicContact CB-CD1 4.05Å; N310-L313 WeakPolarHBondContact O-CB 3.3Å; N310-L313 PolarHBondContact O-N 3.33Å; K311-L313 VanDerWaalsContact C-N 3.29Å; K311-L313 PolarHBondContact O-N 3.2Å; L313-T315 PolarHBondContact O-N 2.73Å; L313-D316 PolarHBondContact O-N 2.73Å; L313-L317 HydrophobicContact CD1-CD1 3.86Å; L313-L317 HydrophobicContact CD1-CD2 4.23Å; L313-L317 HydrophobicContact CD1-CG 3.77Å; L313-L317 HydrophobicContact CD2-CD1 4.35Å; L313-L317 HydrophobicContact CG-CD1 3.75Å; L313-L317 HydrophobicContact CG-CG 4.07Å; L313-L317 VanDerWaalsContact O-CB 3.28Å; L313-L317 WeakPolarHBondContact O-CB 3.32Å; L313-L317 WeakPolarHBondContact O-CG 3.44Å; L313-L317 PolarHBondContact O-N 3.44Å; L313-Y534 HydrophobicContact CD1-CE2 4.34Å; L313-Y542 HydrophobicContact CD2-CE1 4.01Å; L313-Y542 VanDerWaalsContact CD2-OH 3.29Å; L313-Y542 WeakPolarHBondContact CD2-OH 3.5Å; L313-L601 HydrophobicContact CD2-CD2 4.36Å
314	Y	89.5	Confident	86.9	Confident	31 Å²	31	59 Å²	59	12%	0.122	28%	0.277	C	S	.	.	H	α-helix	trans	-60.2	-49	-178.4	-169.5	-141.8	0	0	0	112.8	N312 V318 R333 L336 L601	N312-Y314 PolarHBondContact O-N 2.75Å; Y314-V318 VanDerWaalsContact O-CG2 3.3Å; Y314-V318 WeakPolarHBondContact O-CG2 3.47Å; Y314-V318 PolarHBondContact O-N 2.97Å; Y314-R333 HydrophobicContact CD1-CG 4.47Å; Y314-R333 HydrophobicContact CE1-CB 4.38Å; Y314-R333 HydrophobicContact CE1-CG 3.67Å; Y314-R333 HydrophobicContact CE2-CB 4.42Å; Y314-R333 HydrophobicContact CE2-CG 4.13Å; Y314-R333 VanDerWaalsContact CZ-CG 3.49Å; Y314-R333 WeakPolarHBondContact OH-CB 3.42Å; Y314-R333 WeakPolarHBondContact OH-CG 3.27Å; Y314-L336 HydrophobicContact CD2-CD2 3.79Å; Y314-L336 HydrophobicContact CE2-CD2 3.92Å; Y314-L601 HydrophobicContact CD2-CD1 3.47Å; Y314-L601 VanDerWaalsContact CD2-CD1 3.47Å; Y314-L601 HydrophobicContact CD2-CD2 4.31Å; Y314-L601 HydrophobicContact CE2-CD1 3.75Å
315	T	89.6	Confident	87	Confident	58 Å²	58	59.6 Å²	59.6	36%	0.356	28%	0.279	S	S	.	.	H	α-helix	trans	-72.1	-40.2	179.5	-52.1	0	0	0	0	111.5	N312 L313 L317 V318 N319	N312-T315 PolarHBondContact O-N 2.87Å; N312-T315 VanDerWaalsContact O-N 3.08Å; L313-T315 PolarHBondContact O-N 2.73Å; T315-L317 VanDerWaalsContact C-N 3.35Å; T315-L317 PolarHBondContact O-N 2.98Å; T315-V318 PolarHBondContact O-N 3.06Å; T315-N319 WeakPolarHBondContact O-CB 3.46Å; T315-N319 PolarHBondContact O-N 2.98Å; T315-N319 PolarHBondContact O-ND2 3.24Å
316	D	89.7	Confident	86.9	Confident	40 Å²	40	58 Å²	58	21%	0.214	27%	0.274	C	S	.	.	H	α-helix	trans	-66.6	-37.6	-179.2	-64	-24.3	0	0	0	111.9	N312 L313 S320 Y534	N312-D316 PolarHBondContact O-N 3.34Å; L313-D316 PolarHBondContact O-N 2.73Å; D316-S320 VanDerWaalsContact O-CB 3.23Å; D316-S320 WeakPolarHBondContact O-CB 3.14Å; D316-S320 PolarHBondContact O-N 2.94Å; D316-S320 PolarHBondContact O-OG 3.49Å; D316-Y534 HydrophobicContact CB-CD2 4.45Å; D316-Y534 HydrophobicContact CB-CE2 3.64Å
317	L	90.2	Very high	86.6	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.7	-45.4	173.3	-74.4	178.6	0	0	0	111.2	L313 T315 N319 S320 L321 L336 F340 Y534 I539	L313-L317 HydrophobicContact CD1-CD1 3.86Å; L313-L317 HydrophobicContact CD1-CD2 4.23Å; L313-L317 HydrophobicContact CD1-CG 3.77Å; L313-L317 HydrophobicContact CD2-CD1 4.35Å; L313-L317 HydrophobicContact CG-CD1 3.75Å; L313-L317 HydrophobicContact CG-CG 4.07Å; L313-L317 VanDerWaalsContact O-CB 3.28Å; L313-L317 WeakPolarHBondContact O-CB 3.32Å; L313-L317 WeakPolarHBondContact O-CG 3.44Å; L313-L317 PolarHBondContact O-N 3.44Å; T315-L317 VanDerWaalsContact C-N 3.35Å; T315-L317 PolarHBondContact O-N 2.98Å; L317-N319 PolarHBondContact O-N 3.3Å; L317-S320 PolarHBondContact O-N 2.95Å; L317-L321 WeakPolarHBondContact O-CB 3.49Å; L317-L321 WeakPolarHBondContact O-CG 3.18Å; L317-L321 PolarHBondContact O-N 3.44Å; L317-L336 HydrophobicContact CB-CD1 4.44Å; L317-L336 HydrophobicContact CB-CD2 3.91Å; L317-L336 HydrophobicContact CD1-CD2 4.41Å; L317-F340 HydrophobicContact CD1-CZ 4.3Å; L317-Y534 HydrophobicContact CD2-CD2 4.11Å; L317-Y534 HydrophobicContact CD2-CE2 4.44Å; L317-I539 HydrophobicContact CD2-CD1 4.47Å; L317-I539 HydrophobicContact CD2-CG1 3.97Å; L317-I539 HydrophobicContact CD2-CG2 4.02Å
318	V	90.6	Very high	86.4	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.012	28%	0.282	C	S	.	.	H	α-helix	trans	-58.2	-47.7	176.9	162.6	0	0	0	0	111.4	Y314 T315 S320 L321 F322 K332 R333 L336	Y314-V318 VanDerWaalsContact O-CG2 3.3Å; Y314-V318 WeakPolarHBondContact O-CG2 3.47Å; Y314-V318 PolarHBondContact O-N 2.97Å; T315-V318 PolarHBondContact O-N 3.06Å; V318-S320 VanDerWaalsContact C-N 3.32Å; V318-S320 PolarHBondContact O-N 3.24Å; V318-L321 PolarHBondContact O-N 3.46Å; V318-F322 PolarHBondContact O-N 3.22Å; V318-F322 VanDerWaalsContact O-N 3.15Å; V318-K332 HydrophobicContact CG1-CB 3.52Å; V318-K332 HydrophobicContact CG1-CD 3.72Å; V318-K332 HydrophobicContact CG1-CG 4.26Å; V318-K332 HydrophobicContact CG2-CB 4.43Å; V318-R333 HydrophobicContact CG2-CG 3.98Å; V318-L336 HydrophobicContact CG2-CD2 3.85Å
319	N	87.7	Confident	86.5	Confident	81 Å²	81	56 Å²	56	43%	0.433	27%	0.273	S	S	.	.	H	α-helix	trans	-68.7	-31.3	180	-70.9	-19.8	0	0	0	112.8	T315 L317	T315-N319 WeakPolarHBondContact O-CB 3.46Å; T315-N319 PolarHBondContact O-N 2.98Å; T315-N319 PolarHBondContact O-ND2 3.24Å; L317-N319 PolarHBondContact O-N 3.3Å
320	S	86.6	Confident	86.5	Confident	3 Å²	3	47.9 Å²	47.9	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-77.7	-32.2	178.3	-58.7	0	0	0	0	112.7	D316 L317 V318	D316-S320 VanDerWaalsContact O-CB 3.23Å; D316-S320 WeakPolarHBondContact O-CB 3.14Å; D316-S320 PolarHBondContact O-N 2.94Å; D316-S320 PolarHBondContact O-OG 3.49Å; L317-S320 PolarHBondContact O-N 2.95Å; V318-S320 VanDerWaalsContact C-N 3.32Å; V318-S320 PolarHBondContact O-N 3.24Å
321	L	85.8	Confident	86.7	Confident	20 Å²	20	44.8 Å²	44.8	11%	0.105	23%	0.228	C	C	.	.	H	α-helix	trans	-73.4	-45.1	177.2	-78.3	179.3	0	0	0	112.6	L317 V318 P323 L336 L339 F379 I539	L317-L321 WeakPolarHBondContact O-CB 3.49Å; L317-L321 WeakPolarHBondContact O-CG 3.18Å; L317-L321 PolarHBondContact O-N 3.44Å; V318-L321 PolarHBondContact O-N 3.46Å; L321-P323 WeakPolarHBondContact O-CD 3.47Å; L321-L336 HydrophobicContact CD1-CD1 3.61Å; L321-L339 HydrophobicContact CD1-CD1 4.21Å; L321-F379 HydrophobicContact CD2-CD1 4.11Å; L321-F379 HydrophobicContact CD2-CD2 3.47Å; L321-F379 VanDerWaalsContact CD2-CD2 3.47Å; L321-F379 HydrophobicContact CD2-CE1 4.05Å; L321-F379 HydrophobicContact CD2-CE2 3.4Å; L321-F379 HydrophobicContact CD2-CG 3.86Å; L321-F379 HydrophobicContact CD2-CZ 3.73Å; L321-I539 HydrophobicContact CD2-CD1 4.24Å; L321-I539 HydrophobicContact CD2-CG2 4.14Å
322	F	86.9	Confident	87.2	Confident	8 Å²	8	35.8 Å²	35.8	4%	0.035	19%	0.189	C	C	.	.			trans	-115.2	65.5	-175.4	-57.5	-74.9	0	0	0	112	V318 T324 I325 K332 I335 F372 Q375 V376	V318-F322 PolarHBondContact O-N 3.22Å; V318-F322 VanDerWaalsContact O-N 3.15Å; F322-T324 VanDerWaalsContact C-N 3.32Å; F322-T324 PolarHBondContact O-N 3.2Å; F322-I325 HydrophobicContact CB-CB 4.48Å; F322-I325 HydrophobicContact CD1-CD1 4.09Å; F322-K332 HydrophobicContact CB-CD 4.04Å; F322-K332 HydrophobicContact CB-CG 4.29Å; F322-K332 HydrophobicContact CD2-CB 3.75Å; F322-K332 HydrophobicContact CD2-CD 4.09Å; F322-K332 HydrophobicContact CD2-CG 3.61Å; F322-K332 HydrophobicContact CE2-CB 4.02Å; F322-K332 HydrophobicContact CE2-CG 4.18Å; F322-K332 HydrophobicContact CG-CD 4.34Å; F322-K332 HydrophobicContact CG-CG 4.06Å; F322-I335 HydrophobicContact CE2-CB 4.48Å; F322-I335 HydrophobicContact CE2-CG2 4.42Å; F322-I335 HydrophobicContact CZ-CB 4.22Å; F322-I335 HydrophobicContact CZ-CD1 4.1Å; F322-I335 HydrophobicContact CZ-CG2 3.81Å; F322-F372 AromaticContact CD1-CD1 3.88Å; F322-F372 HydrophobicContact CD1-CD1 3.88Å; F322-F372 HydrophobicContact CD1-CE1 4.14Å; F322-F372 AromaticContact CE1-CD1 3.74Å; F322-F372 HydrophobicContact CE1-CD1 3.74Å; F322-F372 HydrophobicContact CE1-CE1 4.35Å; F322-F372 HydrophobicContact CG-CE1 4.42Å; F322-F372 HydrophobicContact CZ-CD1 4.3Å; F322-Q375 HydrophobicContact CD1-CB 4.28Å; F322-Q375 VanDerWaalsContact CD1-OE1 3.26Å; F322-Q375 HydrophobicContact CE1-CB 4.12Å; F322-V376 HydrophobicContact CE1-CG2 4.44Å; F322-V376 HydrophobicContact CZ-CG2 4.35Å
323	P	83.9	Confident	87.5	Confident	7 Å²	7	32.9 Å²	32.9	5%	0.045	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-38.5	177.7	24.9	-30.8	0	0	0	110.8	L321 I325 R518 V530	L321-P323 WeakPolarHBondContact O-CD 3.47Å; P323-I325 VanDerWaalsContact C-N 3.28Å; P323-I325 PolarHBondContact O-N 2.57Å; P323-R518 PolarHBondContact O-NE 3.12Å; P323-R518 PolarHBondContact O-NH2 3.33Å; P323-V530 HydrophobicContact CB-CB 4.39Å; P323-V530 HydrophobicContact CB-CG1 3.68Å
324	T	83.4	Confident	87.7	Confident	30 Å²	30	32.8 Å²	32.8	18%	0.184	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-11	-170.3	76.1	0	0	0	0	113.8	F322 Q375 L522 L527	F322-T324 VanDerWaalsContact C-N 3.32Å; F322-T324 PolarHBondContact O-N 3.2Å; T324-Q375 PolarHBondContact OG1-NE2 3.39Å; T324-L522 HydrophobicContact CG2-CD1 4.23Å; T324-L522 HydrophobicContact CG2-CD2 4.01Å; T324-L527 HydrophobicContact CG2-CD2 3.81Å
325	I	85.3	Confident	87.9	Confident	16 Å²	16	31.3 Å²	31.3	8%	0.082	16%	0.163	C	C	.	.			trans	-108.1	120.5	-172.8	-56	176.5	0	0	0	109.3	F322 P323 K332 Q371 F372	F322-I325 HydrophobicContact CB-CB 4.48Å; F322-I325 HydrophobicContact CD1-CD1 4.09Å; P323-I325 VanDerWaalsContact C-N 3.28Å; P323-I325 PolarHBondContact O-N 2.57Å; I325-K332 WeakPolarHBondContact O-CE 3.11Å; I325-K332 PolarHBondContact O-NZ 2.66Å; I325-Q371 HydrophobicContact CD1-CB 4.49Å; I325-Q371 HydrophobicContact CD1-CG 4.2Å; I325-Q371 HydrophobicContact CG1-CG 4.27Å; I325-F372 HydrophobicContact CB-CE1 4.48Å; I325-F372 HydrophobicContact CD1-CD1 3.43Å; I325-F372 VanDerWaalsContact CD1-CD1 3.43Å; I325-F372 HydrophobicContact CD1-CD2 4.16Å; I325-F372 HydrophobicContact CD1-CE1 3.45Å; I325-F372 VanDerWaalsContact CD1-CE1 3.45Å; I325-F372 HydrophobicContact CD1-CE2 4.18Å; I325-F372 HydrophobicContact CD1-CG 3.81Å; I325-F372 HydrophobicContact CD1-CZ 3.86Å; I325-F372 HydrophobicContact CG2-CE1 4.09Å; I325-F372 HydrophobicContact CG2-CE2 4.24Å; I325-F372 HydrophobicContact CG2-CZ 3.65Å
326	Y	84.1	Confident	88	Confident	125 Å²	125	28.5 Å²	28.5	49%	0.49	15%	0.146	S	C	.	.			trans	-86	144.9	171.8	-177.7	-100.5	0	0	0	110.7	A514 I515	Y326-A514 HydrophobicContact CD1-CB 3.95Å; Y326-A514 HydrophobicContact CD2-CB 4.32Å; Y326-A514 HydrophobicContact CE1-CB 3.57Å; Y326-A514 HydrophobicContact CE2-CB 3.97Å; Y326-A514 HydrophobicContact CG-CB 4.3Å; Y326-I515 HydrophobicContact CD1-CG1 4.1Å
327	G	82.3	Confident	88.2	Confident	26 Å²	26	26.7 Å²	26.7	27%	0.268	14%	0.136	S	C	.	.	S	Bend	trans	76.7	-170.8	176.4	0	0	0	0	0	116	D329 K332	G327-D329 PolarHBondContact O-N 3.2Å; G327-K332 WeakPolarHBondContact O-CE 3.18Å; G327-K332 PolarHBondContact O-NZ 2.99Å
328	N	81.5	Confident	88.3	Confident	67 Å²	67	26.8 Å²	26.8	36%	0.358	14%	0.137	S	C	.	.			trans	49.6	50.7	175.2	-68	-27.1	0	0	0	115.2	E330 I331 K332	N328-E330 PolarHBondContact O-N 3.24Å; N328-I331 HydrophobicContact CB-CB 4.39Å; N328-I331 HydrophobicContact CB-CD1 3.96Å; N328-I331 HydrophobicContact CB-CG1 4.07Å; N328-I331 PolarHBondContact O-N 3.41Å; N328-I331 VanDerWaalsContact O-N 3.1Å; N328-K332 PolarHBondContact O-N 2.91Å
329	D	87.3	Confident	88.3	Confident	72 Å²	72	27.4 Å²	27.4	39%	0.385	14%	0.14	S	C	.	.	H	α-helix	trans	-62	-29.9	-177.1	-67.3	-17.2	0	0	0	113.4	G327 I331 K332 R333	G327-D329 PolarHBondContact O-N 3.2Å; D329-I331 VanDerWaalsContact C-N 3.33Å; D329-I331 PolarHBondContact O-N 3.23Å; D329-K332 PolarHBondContact O-N 2.74Å; D329-K332 IonicContact OD1-NZ 3.14Å; D329-R333 VanDerWaalsContact O-CB 3.27Å; D329-R333 WeakPolarHBondContact O-CB 3.4Å; D329-R333 WeakPolarHBondContact O-CG 3.24Å; D329-R333 PolarHBondContact O-N 3.34Å
330	E	88.8	Confident	88.4	Confident	39 Å²	39	23.6 Å²	23.6	18%	0.182	12%	0.119	C	C	.	.	H	α-helix	trans	-65.7	-36.2	177.1	-55.6	-63.6	179.3	0	0	112	N328 R333 G334 F501 R617 L618 K621	N328-E330 PolarHBondContact O-N 3.24Å; E330-R333 WeakPolarHBondContact O-CB 3.45Å; E330-R333 PolarHBondContact O-N 3.17Å; E330-R333 IonicContact OE1-NH1 2.99Å; E330-R333 IonicContact OE2-NH1 2.66Å; E330-G334 PolarHBondContact O-N 3.37Å; E330-F501 HydrophobicContact CB-CE1 4.43Å; E330-F501 WeakPolarHBondContact O-CZ 3.46Å; E330-R617 IonicContact OE1-CZ 3.42Å; E330-R617 IonicContact OE1-NH1 3.38Å; E330-R617 PolarHBondContact OE1-NH1 3.1Å; E330-R617 IonicContact OE1-NH2 2.74Å; E330-R617 IonicContact OE2-CZ 2.62Å; E330-R617 IonicContact OE2-NH1 3.02Å; E330-R617 PolarHBondContact OE2-NH1 2.8Å; E330-R617 IonicContact OE2-NH2 3.79Å; E330-R617 PolarHBondContact OE2-NH2 2.91Å; E330-L618 HydrophobicContact CB-CD1 4.49Å; E330-K621 HydrophobicContact CG-CD 3.97Å; E330-K621 VanDerWaalsContact OE1-CD 3.27Å; E330-K621 WeakPolarHBondContact OE1-CD 3.35Å; E330-K621 WeakPolarHBondContact OE1-CE 3.24Å; E330-K621 IonicContact OE1-NZ 3.48Å; E330-K621 PolarHBondContact OE1-NZ 2.82Å
331	I	91.4	Very high	88.4	Confident	6 Å²	6	23.7 Å²	23.7	3%	0.031	12%	0.121	C	C	.	.	H	α-helix	trans	-68.5	-46.5	176.6	-53.5	-170.3	0	0	0	109.6	N328 D329 R333 G334 I335 I361 F372 F501 I503	N328-I331 HydrophobicContact CB-CB 4.39Å; N328-I331 HydrophobicContact CB-CD1 3.96Å; N328-I331 HydrophobicContact CB-CG1 4.07Å; N328-I331 PolarHBondContact O-N 3.41Å; N328-I331 VanDerWaalsContact O-N 3.1Å; D329-I331 VanDerWaalsContact C-N 3.33Å; D329-I331 PolarHBondContact O-N 3.23Å; I331-R333 VanDerWaalsContact C-N 3.27Å; I331-R333 PolarHBondContact O-N 2.66Å; I331-G334 PolarHBondContact O-N 2.83Å; I331-G334 VanDerWaalsContact O-N 3.1Å; I331-I335 HydrophobicContact CG2-CD1 3.97Å; I331-I335 HydrophobicContact CG2-CG1 4.42Å; I331-I335 WeakPolarHBondContact O-CG1 3.16Å; I331-I335 PolarHBondContact O-N 3.37Å; I331-I361 HydrophobicContact CG2-CD1 3.88Å; I331-I361 HydrophobicContact CG2-CG1 4.24Å; I331-F372 HydrophobicContact CG2-CZ 4.47Å; I331-F501 HydrophobicContact CB-CD2 4.29Å; I331-F501 HydrophobicContact CB-CG 4.29Å; I331-F501 HydrophobicContact CD1-CB 3.75Å; I331-F501 HydrophobicContact CD1-CG 4.3Å; I331-F501 HydrophobicContact CG1-CB 3.71Å; I331-F501 HydrophobicContact CG1-CD1 3.95Å; I331-F501 HydrophobicContact CG1-CD2 4.2Å; I331-F501 HydrophobicContact CG1-CG 3.7Å; I331-F501 HydrophobicContact CG2-CD2 4Å; I331-F501 HydrophobicContact CG2-CG 4.34Å; I331-I503 HydrophobicContact CD1-CD1 3.56Å; I331-I503 HydrophobicContact CD1-CG1 3.42Å; I331-I503 VanDerWaalsContact CD1-CG1 3.42Å
332	K	92.2	Very high	88.5	Confident	7 Å²	7	22.8 Å²	22.8	3%	0.03	12%	0.117	C	C	.	.	H	α-helix	trans	-59.6	-41	177.9	-63.3	172.7	177.9	161.5	0	111.5	V318 F322 I325 G327 N328 D329 I335 L336 F372	V318-K332 HydrophobicContact CG1-CB 3.52Å; V318-K332 HydrophobicContact CG1-CD 3.72Å; V318-K332 HydrophobicContact CG1-CG 4.26Å; V318-K332 HydrophobicContact CG2-CB 4.43Å; F322-K332 HydrophobicContact CB-CD 4.04Å; F322-K332 HydrophobicContact CB-CG 4.29Å; F322-K332 HydrophobicContact CD2-CB 3.75Å; F322-K332 HydrophobicContact CD2-CD 4.09Å; F322-K332 HydrophobicContact CD2-CG 3.61Å; F322-K332 HydrophobicContact CE2-CB 4.02Å; F322-K332 HydrophobicContact CE2-CG 4.18Å; F322-K332 HydrophobicContact CG-CD 4.34Å; F322-K332 HydrophobicContact CG-CG 4.06Å; I325-K332 WeakPolarHBondContact O-CE 3.11Å; I325-K332 PolarHBondContact O-NZ 2.66Å; G327-K332 WeakPolarHBondContact O-CE 3.18Å; G327-K332 PolarHBondContact O-NZ 2.99Å; N328-K332 PolarHBondContact O-N 2.91Å; D329-K332 PolarHBondContact O-N 2.74Å; D329-K332 IonicContact OD1-NZ 3.14Å; K332-I335 PolarHBondContact O-N 2.94Å; K332-L336 WeakPolarHBondContact O-CB 3.4Å; K332-L336 PolarHBondContact O-N 3.43Å; K332-F372 HydrophobicContact CG-CE1 3.9Å; K332-F372 HydrophobicContact CG-CZ 4.47Å
333	R	92.4	Very high	88.5	Confident	50 Å²	50	23.1 Å²	23.1	19%	0.189	12%	0.119	C	C	.	.	H	α-helix	trans	-61.1	-45.1	173	-80.8	177.3	-169.4	178.4	8.6	112.1	Y314 V318 D329 E330 I331 L336 L337 L618	Y314-R333 HydrophobicContact CD1-CG 4.47Å; Y314-R333 HydrophobicContact CE1-CB 4.38Å; Y314-R333 HydrophobicContact CE1-CG 3.67Å; Y314-R333 HydrophobicContact CE2-CB 4.42Å; Y314-R333 HydrophobicContact CE2-CG 4.13Å; Y314-R333 VanDerWaalsContact CZ-CG 3.49Å; Y314-R333 WeakPolarHBondContact OH-CB 3.42Å; Y314-R333 WeakPolarHBondContact OH-CG 3.27Å; V318-R333 HydrophobicContact CG2-CG 3.98Å; D329-R333 VanDerWaalsContact O-CB 3.27Å; D329-R333 WeakPolarHBondContact O-CB 3.4Å; D329-R333 WeakPolarHBondContact O-CG 3.24Å; D329-R333 PolarHBondContact O-N 3.34Å; E330-R333 WeakPolarHBondContact O-CB 3.45Å; E330-R333 PolarHBondContact O-N 3.17Å; E330-R333 IonicContact OE1-NH1 2.99Å; E330-R333 IonicContact OE2-NH1 2.66Å; I331-R333 VanDerWaalsContact C-N 3.27Å; I331-R333 PolarHBondContact O-N 2.66Å; R333-L336 PolarHBondContact O-N 3.43Å; R333-L337 WeakPolarHBondContact O-CG 3.11Å; R333-L337 PolarHBondContact O-N 2.96Å; R333-L337 VanDerWaalsContact O-N 3.09Å; R333-L618 HydrophobicContact CB-CD1 4.26Å
334	G	92.1	Very high	88.6	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.1	-45.7	175.4	0	0	0	0	0	113.2	E330 I331 L336 L337 M338	E330-G334 PolarHBondContact O-N 3.37Å; I331-G334 PolarHBondContact O-N 2.83Å; I331-G334 VanDerWaalsContact O-N 3.1Å; G334-L336 VanDerWaalsContact C-N 3.31Å; G334-L336 PolarHBondContact O-N 3.19Å; G334-L337 PolarHBondContact O-N 2.81Å; G334-M338 PolarHBondContact O-N 3.45Å
335	I	93.4	Very high	88.6	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63.2	-39	176.6	-64	168.8	0	0	0	110.8	F322 I331 K332 L337 M338 L339 I361 F372 V376 L467	F322-I335 HydrophobicContact CE2-CB 4.48Å; F322-I335 HydrophobicContact CE2-CG2 4.42Å; F322-I335 HydrophobicContact CZ-CB 4.22Å; F322-I335 HydrophobicContact CZ-CD1 4.1Å; F322-I335 HydrophobicContact CZ-CG2 3.81Å; I331-I335 HydrophobicContact CG2-CD1 3.97Å; I331-I335 HydrophobicContact CG2-CG1 4.42Å; I331-I335 WeakPolarHBondContact O-CG1 3.16Å; I331-I335 PolarHBondContact O-N 3.37Å; K332-I335 PolarHBondContact O-N 2.94Å; I335-L337 VanDerWaalsContact C-N 3.35Å; I335-L337 PolarHBondContact O-N 3.14Å; I335-M338 HydrophobicContact CG2-CE 4.04Å; I335-M338 WeakPolarHBondContact O-CB 3.04Å; I335-M338 PolarHBondContact O-N 3.03Å; I335-L339 PolarHBondContact O-N 3.21Å; I335-L339 VanDerWaalsContact O-N 3.12Å; I335-I361 HydrophobicContact CD1-CD1 4.3Å; I335-F372 HydrophobicContact CD1-CB 4.16Å; I335-F372 HydrophobicContact CD1-CD1 3.76Å; I335-F372 HydrophobicContact CD1-CE1 4.43Å; I335-F372 HydrophobicContact CD1-CG 4.14Å; I335-V376 HydrophobicContact CG2-CG2 3.62Å; I335-L467 HydrophobicContact CG1-CD1 4.23Å
336	L	92.9	Very high	88.6	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.8	-43.9	175.2	180	62.4	0	0	0	111.5	Y314 L317 V318 L321 K332 R333 G334 M338 L339 F340 L601	Y314-L336 HydrophobicContact CD2-CD2 3.79Å; Y314-L336 HydrophobicContact CE2-CD2 3.92Å; L317-L336 HydrophobicContact CB-CD1 4.44Å; L317-L336 HydrophobicContact CB-CD2 3.91Å; L317-L336 HydrophobicContact CD1-CD2 4.41Å; V318-L336 HydrophobicContact CG2-CD2 3.85Å; L321-L336 HydrophobicContact CD1-CD1 3.61Å; K332-L336 WeakPolarHBondContact O-CB 3.4Å; K332-L336 PolarHBondContact O-N 3.43Å; R333-L336 PolarHBondContact O-N 3.43Å; G334-L336 VanDerWaalsContact C-N 3.31Å; G334-L336 PolarHBondContact O-N 3.19Å; L336-M338 VanDerWaalsContact C-N 3.31Å; L336-M338 PolarHBondContact O-N 3.47Å; L336-L339 PolarHBondContact O-N 3.12Å; L336-F340 HydrophobicContact CD1-CD2 4.22Å; L336-F340 HydrophobicContact CD1-CE2 3.59Å; L336-F340 HydrophobicContact CD1-CZ 4.48Å; L336-F340 HydrophobicContact CG-CD2 4.24Å; L336-F340 HydrophobicContact CG-CE2 3.84Å; L336-F340 VanDerWaalsContact O-CD2 3.23Å; L336-F340 WeakPolarHBondContact O-CD2 3.35Å; L336-F340 PolarHBondContact O-N 3.19Å; L336-L601 HydrophobicContact CD2-CD1 3.81Å; L336-L601 HydrophobicContact CG-CD1 4.13Å
337	L	93.3	Very high	88.5	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-64.6	-35.6	176.5	-66.1	178.9	0	0	0	112.4	R333 G334 I335 L339 F340 G341 L594 A597 V598 L601 L618	R333-L337 WeakPolarHBondContact O-CG 3.11Å; R333-L337 PolarHBondContact O-N 2.96Å; R333-L337 VanDerWaalsContact O-N 3.09Å; G334-L337 PolarHBondContact O-N 2.81Å; I335-L337 VanDerWaalsContact C-N 3.35Å; I335-L337 PolarHBondContact O-N 3.14Å; L337-L339 VanDerWaalsContact C-N 3.31Å; L337-L339 PolarHBondContact O-N 2.96Å; L337-F340 PolarHBondContact O-N 2.75Å; L337-G341 PolarHBondContact O-N 2.95Å; L337-L594 HydrophobicContact CB-CD2 4.4Å; L337-L594 HydrophobicContact CD1-CD2 3.95Å; L337-A597 HydrophobicContact CB-CB 4.41Å; L337-A597 HydrophobicContact CD2-CB 4.26Å; L337-V598 HydrophobicContact CD1-CG2 3.96Å; L337-V598 HydrophobicContact CD2-CB 4.43Å; L337-V598 HydrophobicContact CD2-CG2 3.6Å; L337-V598 HydrophobicContact CG-CG2 4.46Å; L337-L601 HydrophobicContact CD2-CD1 4.35Å; L337-L618 HydrophobicContact CD1-CD2 3.65Å
338	M	92.9	Very high	88.7	Confident	3 Å²	3	41.3 Å²	41.3	2%	0.015	20%	0.202	C	C	.	.	H	α-helix	trans	-58.5	-41.8	172.3	177.5	-171.8	79.2	0	0	111.8	G334 I335 L336 F340 G341 I357 V359 V376 V423 L467	G334-M338 PolarHBondContact O-N 3.45Å; I335-M338 HydrophobicContact CG2-CE 4.04Å; I335-M338 WeakPolarHBondContact O-CB 3.04Å; I335-M338 PolarHBondContact O-N 3.03Å; L336-M338 VanDerWaalsContact C-N 3.31Å; L336-M338 PolarHBondContact O-N 3.47Å; M338-F340 VanDerWaalsContact C-N 3.33Å; M338-F340 PolarHBondContact O-N 3Å; M338-G341 PolarHBondContact O-N 3.24Å; M338-I357 WeakPolarHBondContact CG-O 3.31Å; M338-V359 HydrophobicContact CB-CG2 3.94Å; M338-V359 HydrophobicContact CG-CG2 4.33Å; M338-V359 HydrophobicContact SD-CB 4.24Å; M338-V359 HydrophobicContact SD-CG2 4.04Å; M338-V376 HydrophobicContact CE-CG1 4.3Å; M338-V423 HydrophobicContact CE-CG1 3.69Å; M338-V423 HydrophobicContact CE-CG2 4.11Å; M338-V423 HydrophobicContact SD-CG1 4.34Å; M338-L467 HydrophobicContact CE-CB 4.04Å; M338-L467 HydrophobicContact CE-CD1 4.44Å; M338-L467 HydrophobicContact CE-CD2 4.22Å; M338-L467 HydrophobicContact CE-CG 4.46Å; M338-L467 HydrophobicContact SD-CB 3.95Å; M338-L467 HydrophobicContact SD-CD1 4.28Å
339	L	90.6	Very high	88.7	Confident	14 Å²	14	45.9 Å²	45.9	7%	0.073	22%	0.221	C	C	.	.	H	α-helix	trans	-66.4	-30.1	179.1	-66.9	174.3	0	0	0	113.8	L321 I335 L336 L337 V376 F379 V423 I543	L321-L339 HydrophobicContact CD1-CD1 4.21Å; I335-L339 PolarHBondContact O-N 3.21Å; I335-L339 VanDerWaalsContact O-N 3.12Å; L336-L339 PolarHBondContact O-N 3.12Å; L337-L339 VanDerWaalsContact C-N 3.31Å; L337-L339 PolarHBondContact O-N 2.96Å; L339-V376 HydrophobicContact CD2-CG1 4.45Å; L339-F379 HydrophobicContact CD1-CD1 3.96Å; L339-F379 HydrophobicContact CD1-CE1 3.97Å; L339-V423 HydrophobicContact CD2-CG2 3.98Å; L339-I543 HydrophobicContact CB-CD1 4.26Å; L339-I543 HydrophobicContact CD1-CD1 4.31Å
340	F	90	Very high	88.3	Confident	1 Å²	1	45 Å²	45	0%	0.004	23%	0.229	C	C	.	.	H	α-helix	trans	-79.2	-36.9	175.3	-74.9	-74.6	0	0	0	112.6	L317 L336 L337 M338 Y542 I543 A546 R547 L601	L317-F340 HydrophobicContact CD1-CZ 4.3Å; L336-F340 HydrophobicContact CD1-CD2 4.22Å; L336-F340 HydrophobicContact CD1-CE2 3.59Å; L336-F340 HydrophobicContact CD1-CZ 4.48Å; L336-F340 HydrophobicContact CG-CD2 4.24Å; L336-F340 HydrophobicContact CG-CE2 3.84Å; L336-F340 VanDerWaalsContact O-CD2 3.23Å; L336-F340 WeakPolarHBondContact O-CD2 3.35Å; L336-F340 PolarHBondContact O-N 3.19Å; L337-F340 PolarHBondContact O-N 2.75Å; M338-F340 VanDerWaalsContact C-N 3.33Å; M338-F340 PolarHBondContact O-N 3Å; F340-Y542 HydrophobicContact CE1-CD1 4.05Å; F340-Y542 HydrophobicContact CE1-CE1 4.03Å; F340-Y542 AromaticContact CZ-CD1 3.99Å; F340-Y542 HydrophobicContact CZ-CD1 3.99Å; F340-Y542 AromaticContact CZ-CE1 3.95Å; F340-Y542 HydrophobicContact CZ-CE1 3.95Å; F340-I543 HydrophobicContact CD1-CG1 4.42Å; F340-I543 HydrophobicContact CE1-CB 4.4Å; F340-I543 HydrophobicContact CE1-CG1 3.88Å; F340-I543 HydrophobicContact CZ-CG1 3.93Å; F340-A546 HydrophobicContact CD1-CB 3.56Å; F340-A546 HydrophobicContact CE1-CB 3.4Å; F340-R547 WeakPolarHBondContact O-CG 3.42Å; F340-L601 HydrophobicContact CD2-CB 4.15Å; F340-L601 HydrophobicContact CD2-CD1 4.04Å; F340-L601 HydrophobicContact CD2-CG 4.29Å; F340-L601 HydrophobicContact CE2-CB 3.98Å; F340-L601 HydrophobicContact CE2-CD1 3.56Å; F340-L601 HydrophobicContact CE2-CG 3.68Å; F340-L601 HydrophobicContact CZ-CB 4.25Å; F340-L601 HydrophobicContact CZ-CD1 4.34Å; F340-L601 HydrophobicContact CZ-CG 3.98Å
341	G	86.1	Confident	87.9	Confident	5 Å²	5	49.1 Å²	49.1	5%	0.052	25%	0.25	C	C	.	.			trans	64.8	160.2	-178.5	0	0	0	0	0	114.4	L337 M338 K600	L337-G341 PolarHBondContact O-N 2.95Å; M338-G341 PolarHBondContact O-N 3.24Å; G341-K600 VanDerWaalsContact O-CD 3.23Å; G341-K600 WeakPolarHBondContact O-CD 3.35Å; G341-K600 WeakPolarHBondContact O-CE 3.17Å; G341-K600 PolarHBondContact O-NZ 2.89Å
342	G	86.6	Confident	87.5	Confident	2 Å²	2	52.4 Å²	52.4	2%	0.021	27%	0.27	C	S	.	.			trans	-82.1	-173.1	174.2	0	0	0	0	0	113.4	P344 G355 K600	G342-P344 WeakPolarHBondContact O-CD 3.33Å; G342-G355 CarbonylContact C-O 3.57Å; G342-G355 WeakPolarHBondContact CA-O 3.14Å; G342-G355 PolarHBondContact N-O 2.92Å; G342-K600 VanDerWaalsContact C-NZ 3.27Å; G342-K600 PolarHBondContact O-NZ 2.78Å
343	V	87.9	Confident	87.1	Confident	14 Å²	14	56 Å²	56	9%	0.085	29%	0.289	C	S	.	.			trans	-88.1	119.6	179.6	-178	0	0	0	0	110	K345 R550 P551 E596	V343-K345 HydrophobicContact CG1-CG 4.17Å; V343-K345 PolarHBondContact O-N 3.47Å; V343-R550 HydrophobicContact CG1-CB 4.38Å; V343-R550 HydrophobicContact CG1-CG 4.27Å; V343-P551 HydrophobicContact CG2-CG 3.98Å; V343-E596 WeakPolarHBondContact CB-OE2 3.41Å; V343-E596 HydrophobicContact CG2-CB 4.36Å; V343-E596 HydrophobicContact CG2-CG 4.4Å; V343-E596 PolarHBondContact N-OE2 3.24Å
344	P	85.5	Confident	86.9	Confident	84 Å²	84	54.6 Å²	54.6	55%	0.545	28%	0.284	S	S	.	.			trans	-70.3	126.1	169.3	29.2	-32.6	0	0	0	109	G342	G342-P344 WeakPolarHBondContact O-CD 3.33Å
345	K	85	Confident	86.5	Confident	83 Å²	83	54.6 Å²	54.6	36%	0.361	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	149.3	-179	-62.3	171.8	-170.9	170.1	0	109.3	V343 L353 E596	V343-K345 HydrophobicContact CG1-CG 4.17Å; V343-K345 PolarHBondContact O-N 3.47Å; K345-L353 HydrophobicContact CB-CB 4.11Å; K345-L353 HydrophobicContact CB-CD1 4Å; K345-L353 PolarHBondContact N-O 2.96Å; K345-L353 PolarHBondContact O-N 3.36Å; K345-E596 VanDerWaalsContact CE-OE1 3.31Å; K345-E596 WeakPolarHBondContact CE-OE1 3.41Å; K345-E596 IonicContact NZ-OE1 3.73Å; K345-E596 PolarHBondContact NZ-OE1 2.76Å
346	R	83.4	Confident	86.4	Confident	155 Å²	155	55.6 Å²	55.6	59%	0.585	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.7	130.1	168.9	-68.9	-172.2	176.9	151.2	2.4	107.8	E285 M351 T352	E285-R346 IonicContact OE1-CZ 3.42Å; E285-R346 IonicContact OE1-NH1 3.27Å; E285-R346 PolarHBondContact OE1-NH1 2.76Å; E285-R346 IonicContact OE1-NH2 2.76Å; E285-R346 PolarHBondContact OE1-NH2 3.1Å; E285-R346 IonicContact OE2-CZ 3.9Å; E285-R346 IonicContact OE2-NH1 3Å; E285-R346 PolarHBondContact OE2-NH1 2.77Å; E285-R346 IonicContact OE2-NH2 3.91Å; R346-M351 WeakPolarHBondContact CA-O 3.06Å; R346-T352 HydrophobicContact CG-CG2 4.07Å
347	T	83	Confident	86.3	Confident	53 Å²	53	55.6 Å²	55.6	33%	0.325	29%	0.289	S	S	.	.			trans	-75.2	166.9	174.3	64	0	0	0	0	110.3	E349 G350 M351 L353	T347-E349 PolarHBondContact O-N 2.83Å; T347-G350 PolarHBondContact O-N 3.44Å; T347-M351 PolarHBondContact N-O 3.17Å; T347-M351 WeakPolarHBondContact OG1-CB 3.4Å; T347-M351 PolarHBondContact OG1-N 2.99Å; T347-M351 PolarHBondContact OG1-O 2.93Å; T347-L353 HydrophobicContact CG2-CD1 4.04Å; T347-L353 HydrophobicContact CG2-CG 4.15Å
348	Q	85.5	Confident	86.4	Confident	211 Å²	211	55.6 Å²	55.6	99%	0.986	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-25.9	175.4	-64.2	-179.4	3.9	0	0	112.4	G350	Q348-G350 PolarHBondContact O-N 3.38Å
349	E	82.7	Confident	86.4	Confident	164 Å²	164	55.5 Å²	55.5	77%	0.766	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-0.9	176.7	-59.5	-177.3	165.3	0	0	113.3	T347 M351	T347-E349 PolarHBondContact O-N 2.83Å; E349-M351 VanDerWaalsContact C-N 3.33Å
350	G	78.5	Confident	86.4	Confident	54 Å²	54	54.8 Å²	54.8	56%	0.557	29%	0.285	S	S	*	.	S	Bend	trans	83.8	1.9	-179.7	0	0	0	0	0	114.8	T347 Q348	T347-G350 PolarHBondContact O-N 3.44Å; Q348-G350 PolarHBondContact O-N 3.38Å
351	M	81.1	Confident	86.5	Confident	125 Å²	125	54.8 Å²	54.8	62%	0.616	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-70.4	132.5	173.9	-60.3	-170.1	-179.4	0	0	110.5	R346 T347 E349	R346-M351 WeakPolarHBondContact CA-O 3.06Å; T347-M351 PolarHBondContact N-O 3.17Å; T347-M351 WeakPolarHBondContact OG1-CB 3.4Å; T347-M351 PolarHBondContact OG1-N 2.99Å; T347-M351 PolarHBondContact OG1-O 2.93Å; E349-M351 VanDerWaalsContact C-N 3.33Å
352	T	82.3	Confident	86.7	Confident	75 Å²	75	54.6 Å²	54.6	46%	0.46	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	118.8	175.6	49.1	0	0	0	0	109.9	R346	R346-T352 HydrophobicContact CG-CG2 4.07Å
353	L	83.8	Confident	86.8	Confident	81 Å²	81	54.5 Å²	54.5	42%	0.424	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	126.4	169.4	-67.3	170	0	0	0	109.2	K345 T347 G355	K345-L353 HydrophobicContact CB-CB 4.11Å; K345-L353 HydrophobicContact CB-CD1 4Å; K345-L353 PolarHBondContact N-O 2.96Å; K345-L353 PolarHBondContact O-N 3.36Å; T347-L353 HydrophobicContact CG2-CD1 4.04Å; T347-L353 HydrophobicContact CG2-CG 4.15Å; L353-G355 PolarHBondContact O-N 3.23Å
354	R	87.7	Confident	86.9	Confident	22 Å²	22	54.4 Å²	54.4	8%	0.083	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-59.6	127.6	177.5	172.6	171.5	163.7	-136.8	-26.3	111.1	D356 N358 M444 Q447 R496 D498 R593	R354-D356 VanDerWaalsContact CZ-O 3.31Å; R354-D356 PolarHBondContact NE-O 3.49Å; R354-D356 PolarHBondContact NH2-O 3.01Å; R354-N358 PolarHBondContact NH1-ND2 3.44Å; R354-N358 VanDerWaalsContact NH1-ND2 3.12Å; R354-N358 PolarHBondContact NH2-ND2 2.93Å; R354-N358 PolarHBondContact NH2-OD1 2.95Å; R354-M444 WeakPolarHBondContact CD-O 3.39Å; R354-M444 PolarHBondContact NH1-O 3.45Å; R354-Q447 HydrophobicContact CB-CG 4.26Å; R354-Q447 HydrophobicContact CG-CG 4.27Å; R354-R496 PolarHBondContact NH1-O 3.19Å; R354-D498 IonicContact CZ-OD2 3.74Å; R354-D498 IonicContact NH2-OD2 3.54Å; R354-D498 PolarHBondContact NH2-OD2 3.26Å; R354-R593 PolarHBondContact O-NE 3.17Å; R354-R593 PolarHBondContact O-NH2 3.27Å
355	G	84.4	Confident	86.9	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.277	C	S	.	.			trans	-99.4	-21.1	173.5	0	0	0	0	0	113.8	G342 L353	G342-G355 CarbonylContact C-O 3.57Å; G342-G355 WeakPolarHBondContact CA-O 3.14Å; G342-G355 PolarHBondContact N-O 2.92Å; L353-G355 PolarHBondContact O-N 3.23Å
356	D	90.5	Very high	86.9	Confident	20 Å²	20	56 Å²	56	11%	0.107	30%	0.302	C	S	.	.			trans	-79.6	144.6	-171.7	-59.6	-47.4	0	0	0	112.5	R354 Q447	R354-D356 VanDerWaalsContact CZ-O 3.31Å; R354-D356 PolarHBondContact NE-O 3.49Å; R354-D356 PolarHBondContact NH2-O 3.01Å; D356-Q447 PolarHBondContact OD2-NE2 3.4Å
357	I	92.3	Very high	86.9	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.281	C	S	.	.			trans	-101.2	130.6	-177.1	-63.2	161.3	0	0	0	108.3	M338 V359 D498 R593 L594 A597	M338-I357 WeakPolarHBondContact CG-O 3.31Å; I357-V359 HydrophobicContact CG2-CG2 4.32Å; I357-D498 WeakPolarHBondContact CA-OD2 3.14Å; I357-D498 HydrophobicContact CG2-CB 4.02Å; I357-R593 HydrophobicContact CG1-CB 4.06Å; I357-L594 HydrophobicContact CD1-CD2 3.93Å; I357-L594 HydrophobicContact CG2-CD2 4.17Å; I357-A597 HydrophobicContact CD1-CB 3.67Å
358	N	93.7	Very high	87	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.011	28%	0.283	C	S	.	.			trans	-106.1	134.4	177.3	-69.9	-17	0	0	0	110.2	R354 M444 I466 F497 D498 L499	R354-N358 PolarHBondContact NH1-ND2 3.44Å; R354-N358 VanDerWaalsContact NH1-ND2 3.12Å; R354-N358 PolarHBondContact NH2-ND2 2.93Å; R354-N358 PolarHBondContact NH2-OD1 2.95Å; N358-M444 HydrophobicContact CB-CE 4.25Å; N358-M444 WeakPolarHBondContact ND2-CE 3.36Å; N358-I466 PolarHBondContact OD1-N 3.45Å; N358-F497 HydrophobicContact CB-CD1 3.64Å; N358-F497 HydrophobicContact CB-CE1 4.09Å; N358-F497 HydrophobicContact CB-CG 4.49Å; N358-D498 PolarHBondContact N-OD2 3.43Å; N358-D498 PolarHBondContact O-N 2.99Å; N358-L499 PolarHBondContact O-N 2.9Å
359	V	93.3	Very high	87.1	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	132.3	-176	-178.7	0	0	0	0	109.7	M338 I357 I466 L467 A468 L499 F501	M338-V359 HydrophobicContact CB-CG2 3.94Å; M338-V359 HydrophobicContact CG-CG2 4.33Å; M338-V359 HydrophobicContact SD-CB 4.24Å; M338-V359 HydrophobicContact SD-CG2 4.04Å; I357-V359 HydrophobicContact CG2-CG2 4.32Å; V359-I466 PolarHBondContact N-O 3.38Å; V359-L467 HydrophobicContact CB-CD1 3.89Å; V359-L467 HydrophobicContact CG1-CD1 3.96Å; V359-L467 WeakPolarHBondContact O-CA 3.48Å; V359-A468 PolarHBondContact O-N 2.73Å; V359-L499 HydrophobicContact CG1-CB 4.46Å; V359-L499 HydrophobicContact CG2-CB 4.31Å; V359-L499 HydrophobicContact CG2-CD1 4.27Å; V359-F501 HydrophobicContact CG1-CD2 3.71Å; V359-F501 HydrophobicContact CG1-CE2 3.7Å
360	C	92.2	Very high	87.4	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	131	174.1	-175	0	0	0	0	110.7	A468 F497 L499 F500 F501	C360-A468 CarbonylContact C-O 3.56Å; C360-A468 WeakPolarHBondContact CA-O 3.44Å; C360-F497 HydrophobicContact CB-CB 4.41Å; C360-F497 HydrophobicContact CB-CD1 3.79Å; C360-F497 HydrophobicContact CB-CD2 4.22Å; C360-F497 HydrophobicContact CB-CE1 4.07Å; C360-F497 HydrophobicContact CB-CE2 4.43Å; C360-F497 HydrophobicContact CB-CG 3.9Å; C360-F497 HydrophobicContact CB-CZ 4.39Å; C360-L499 PolarHBondContact N-O 3.41Å; C360-F500 HydrophobicContact CB-CD1 3.73Å; C360-F500 HydrophobicContact CB-CE1 3.67Å; C360-F500 WeakPolarHBondContact O-CA 3.41Å; C360-F501 PolarHBondContact O-N 3.35Å
361	I	92.1	Very high	87.9	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122.9	176.1	-52.5	174.6	0	0	0	108.3	I331 I335 K369 F372 L467 A468 A469 A470 F501 I503	I331-I361 HydrophobicContact CG2-CD1 3.88Å; I331-I361 HydrophobicContact CG2-CG1 4.24Å; I335-I361 HydrophobicContact CD1-CD1 4.3Å; I361-K369 HydrophobicContact CG2-CD 3.99Å; I361-K369 HydrophobicContact CG2-CG 3.94Å; I361-F372 HydrophobicContact CD1-CB 4.33Å; I361-F372 HydrophobicContact CD1-CD2 4.38Å; I361-F372 HydrophobicContact CD1-CG 4.49Å; I361-L467 HydrophobicContact CD1-CD1 4.23Å; I361-L467 HydrophobicContact CG1-CD1 4.49Å; I361-A468 PolarHBondContact N-O 3.29Å; I361-A469 CarbonylContact O-C 3.57Å; I361-A469 WeakPolarHBondContact O-CA 3.35Å; I361-A470 PolarHBondContact O-N 3.39Å; I361-F501 WeakPolarHBondContact CA-O 3.45Å; I361-I503 HydrophobicContact CG2-CD1 3.53Å; I361-I503 HydrophobicContact CG2-CG1 4.21Å
362	V	90	Very high	88.5	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	143.8	177.7	-175.1	0	0	0	0	107.6	A470 Y477 I487 F501 I502 I503	V362-A470 WeakPolarHBondContact CA-O 3.32Å; V362-A470 HydrophobicContact CG2-CB 4.39Å; V362-Y477 HydrophobicContact CG1-CD2 4.45Å; V362-Y477 HydrophobicContact CG1-CE2 4.49Å; V362-I487 HydrophobicContact CB-CD1 4.24Å; V362-I487 HydrophobicContact CG1-CD1 3.76Å; V362-I487 HydrophobicContact CG1-CG1 4.08Å; V362-I487 HydrophobicContact CG2-CD1 3.51Å; V362-F501 PolarHBondContact N-O 3.21Å; V362-I502 CarbonylContact O-C 3.56Å; V362-I502 WeakPolarHBondContact O-CA 3.28Å; V362-I503 PolarHBondContact O-N 3.41Å
363	G	88.7	Confident	89	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.9	-171.5	172.1	0	0	0	0	0	114.2	K369 A470 P472 I503	G363-K369 VanDerWaalsContact CA-CE 3.4Å; G363-K369 VanDerWaalsContact N-CE 3.26Å; G363-K369 VanDerWaalsContact N-NZ 3.12Å; G363-K369 WeakPolarHBondContact O-CE 3.49Å; G363-K369 PolarHBondContact O-NZ 3.23Å; G363-A470 PolarHBondContact N-O 3.33Å; G363-P472 WeakPolarHBondContact O-CD 3.46Å; G363-I503 WeakPolarHBondContact CA-O 3.48Å
364	D	88.4	Confident	89.4	Confident	13 Å²	13	27 Å²	27	7%	0.07	15%	0.154	C	C	.	.			trans	-73.5	158	-179.2	-58	-39.4	0	0	0	111.1	T367 K369 Q476 Y477 I503 D505	D364-T367 HydrophobicContact CB-CG2 4.11Å; D364-T367 WeakPolarHBondContact O-CG2 3.49Å; D364-T367 PolarHBondContact O-OG1 2.87Å; D364-K369 WeakPolarHBondContact O-CE 3.24Å; D364-Q476 VanDerWaalsContact OD1-CA 3.28Å; D364-Q476 WeakPolarHBondContact OD1-CA 3.39Å; D364-Y477 PolarHBondContact OD1-N 3.11Å; D364-I503 PolarHBondContact N-O 2.67Å; D364-D505 HydrophobicContact CB-CB 3.97Å; D364-D505 PolarHBondContact OD2-N 3.04Å
365	P	86.9	Confident	89.4	Confident	70 Å²	70	27.1 Å²	27.1	46%	0.455	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	156.4	171.5	25.8	-33.7	0	0	0	110.4	T367 G475	P365-T367 PolarHBondContact O-N 3.36Å; P365-G475 WeakPolarHBondContact CD-O 3.47Å
366	S	83.8	Confident	89.7	Confident	129 Å²	129	27.2 Å²	27.2	90%	0.902	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	69	1.3	-179.3	-51.4	0	0	0	0	117	A368	S366-A368 PolarHBondContact O-N 2.91Å
367	T	84	Confident	89.7	Confident	21 Å²	21	29.7 Å²	29.7	13%	0.129	17%	0.167	C	C	.	.	S	Bend	trans	-79	30.7	177.9	56.7	0	0	0	0	115.2	D364 P365 K369 I503 D505	D364-T367 HydrophobicContact CB-CG2 4.11Å; D364-T367 WeakPolarHBondContact O-CG2 3.49Å; D364-T367 PolarHBondContact O-OG1 2.87Å; P365-T367 PolarHBondContact O-N 3.36Å; T367-K369 PolarHBondContact O-N 3.17Å; T367-K369 WeakPolarHBondContact OG1-CE 3.49Å; T367-I503 HydrophobicContact CG2-CG2 3.95Å; T367-D505 HydrophobicContact CG2-CB 4.04Å
368	A	85	Confident	89.3	Confident	44 Å²	44	36.1 Å²	36.1	36%	0.364	20%	0.202	S	C	.	.	S	Bend	trans	55.8	17.8	178.7	0	0	0	0	0	116.9	S366 S370 Q371 F372	S366-A368 PolarHBondContact O-N 2.91Å; A368-S370 PolarHBondContact O-N 3Å; A368-Q371 HydrophobicContact CB-CB 4.21Å; A368-Q371 WeakPolarHBondContact O-CA 2.97Å; A368-Q371 VanDerWaalsContact O-CB 3.23Å; A368-Q371 WeakPolarHBondContact O-CB 3.43Å; A368-Q371 PolarHBondContact O-N 2.93Å; A368-F372 PolarHBondContact O-N 2.95Å
369	K	88.4	Confident	88.9	Confident	10 Å²	10	37.1 Å²	37.1	4%	0.043	21%	0.206	C	C	.	.	H	α-helix	trans	-58	-48.8	179.6	-56.3	-175.2	-142.1	152.3	0	113.8	I361 G363 D364 T367 Q371 F372 L373 A469 A470 N471 I503	I361-K369 HydrophobicContact CG2-CD 3.99Å; I361-K369 HydrophobicContact CG2-CG 3.94Å; G363-K369 VanDerWaalsContact CA-CE 3.4Å; G363-K369 VanDerWaalsContact N-CE 3.26Å; G363-K369 VanDerWaalsContact N-NZ 3.12Å; G363-K369 WeakPolarHBondContact O-CE 3.49Å; G363-K369 PolarHBondContact O-NZ 3.23Å; D364-K369 WeakPolarHBondContact O-CE 3.24Å; T367-K369 PolarHBondContact O-N 3.17Å; T367-K369 WeakPolarHBondContact OG1-CE 3.49Å; K369-Q371 PolarHBondContact O-N 3.32Å; K369-F372 WeakPolarHBondContact O-CB 3.38Å; K369-F372 PolarHBondContact O-N 3.37Å; K369-L373 PolarHBondContact O-N 2.99Å; K369-A469 HydrophobicContact CB-CB 4.21Å; K369-A470 PolarHBondContact NZ-O 2.81Å; K369-N471 PolarHBondContact NZ-OD1 3.34Å; K369-I503 HydrophobicContact CG-CD1 4.16Å
370	S	89.2	Confident	88.4	Confident	39 Å²	39	38.1 Å²	38.1	27%	0.273	21%	0.213	S	C	.	.	H	α-helix	trans	-62.7	-23.9	176.9	-47.4	0	0	0	0	112	A368 L373 R374 D427	A368-S370 PolarHBondContact O-N 3Å; S370-L373 PolarHBondContact O-N 2.9Å; S370-R374 WeakPolarHBondContact O-CG 3.35Å; S370-R374 PolarHBondContact O-N 3.27Å; S370-R374 VanDerWaalsContact O-N 3.09Å; S370-D427 WeakPolarHBondContact CB-OD2 3.43Å; S370-D427 PolarHBondContact OG-OD2 2.81Å
371	Q	89.3	Confident	87.5	Confident	70 Å²	70	41 Å²	41	33%	0.327	23%	0.232	S	C	.	.	H	α-helix	trans	-73.5	-31.5	176.1	-169.7	59.5	18.4	0	0	112.2	I325 A368 K369 Q375	I325-Q371 HydrophobicContact CD1-CB 4.49Å; I325-Q371 HydrophobicContact CD1-CG 4.2Å; I325-Q371 HydrophobicContact CG1-CG 4.27Å; A368-Q371 HydrophobicContact CB-CB 4.21Å; A368-Q371 WeakPolarHBondContact O-CA 2.97Å; A368-Q371 VanDerWaalsContact O-CB 3.23Å; A368-Q371 WeakPolarHBondContact O-CB 3.43Å; A368-Q371 PolarHBondContact O-N 2.93Å; K369-Q371 PolarHBondContact O-N 3.32Å; Q371-Q375 WeakPolarHBondContact O-CB 3.47Å; Q371-Q375 WeakPolarHBondContact O-CG 3.23Å; Q371-Q375 PolarHBondContact O-N 3.21Å; Q371-Q375 VanDerWaalsContact O-N 3.16Å
372	F	92.5	Very high	86.9	Confident	1 Å²	1	44.2 Å²	44.2	0%	0.004	24%	0.244	C	C	.	.	H	α-helix	trans	-64.6	-47	169.4	-74.8	-71.3	0	0	0	111.4	F322 I325 I331 K332 I335 I361 A368 K369 R374 Q375 V376	F322-F372 AromaticContact CD1-CD1 3.88Å; F322-F372 HydrophobicContact CD1-CD1 3.88Å; F322-F372 HydrophobicContact CD1-CE1 4.14Å; F322-F372 AromaticContact CE1-CD1 3.74Å; F322-F372 HydrophobicContact CE1-CD1 3.74Å; F322-F372 HydrophobicContact CE1-CE1 4.35Å; F322-F372 HydrophobicContact CG-CE1 4.42Å; F322-F372 HydrophobicContact CZ-CD1 4.3Å; I325-F372 HydrophobicContact CB-CE1 4.48Å; I325-F372 HydrophobicContact CD1-CD1 3.43Å; I325-F372 VanDerWaalsContact CD1-CD1 3.43Å; I325-F372 HydrophobicContact CD1-CD2 4.16Å; I325-F372 HydrophobicContact CD1-CE1 3.45Å; I325-F372 VanDerWaalsContact CD1-CE1 3.45Å; I325-F372 HydrophobicContact CD1-CE2 4.18Å; I325-F372 HydrophobicContact CD1-CG 3.81Å; I325-F372 HydrophobicContact CD1-CZ 3.86Å; I325-F372 HydrophobicContact CG2-CE1 4.09Å; I325-F372 HydrophobicContact CG2-CE2 4.24Å; I325-F372 HydrophobicContact CG2-CZ 3.65Å; I331-F372 HydrophobicContact CG2-CZ 4.47Å; K332-F372 HydrophobicContact CG-CE1 3.9Å; K332-F372 HydrophobicContact CG-CZ 4.47Å; I335-F372 HydrophobicContact CD1-CB 4.16Å; I335-F372 HydrophobicContact CD1-CD1 3.76Å; I335-F372 HydrophobicContact CD1-CE1 4.43Å; I335-F372 HydrophobicContact CD1-CG 4.14Å; I361-F372 HydrophobicContact CD1-CB 4.33Å; I361-F372 HydrophobicContact CD1-CD2 4.38Å; I361-F372 HydrophobicContact CD1-CG 4.49Å; A368-F372 PolarHBondContact O-N 2.95Å; K369-F372 WeakPolarHBondContact O-CB 3.38Å; K369-F372 PolarHBondContact O-N 3.37Å; F372-R374 PolarHBondContact O-N 3.43Å; F372-Q375 PolarHBondContact O-N 3.21Å; F372-V376 WeakPolarHBondContact O-CG2 3.29Å; F372-V376 PolarHBondContact O-N 3.27Å
373	L	93	Very high	86.7	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-58.1	-47.4	179.7	-71.9	161.9	0	0	0	111.7	K369 S370 V376 E377 Y385 C425 D427 L467 A469	K369-L373 PolarHBondContact O-N 2.99Å; S370-L373 PolarHBondContact O-N 2.9Å; L373-V376 PolarHBondContact O-N 3.36Å; L373-E377 PolarHBondContact O-N 3.32Å; L373-Y385 HydrophobicContact CB-CD2 4.16Å; L373-Y385 HydrophobicContact CB-CE2 4Å; L373-Y385 HydrophobicContact CD1-CE2 4.35Å; L373-C425 HydrophobicContact CB-CB 4.33Å; L373-C425 HydrophobicContact CD2-CB 3.53Å; L373-D427 HydrophobicContact CD1-CB 3.9Å; L373-L467 HydrophobicContact CD2-CB 4.15Å; L373-L467 HydrophobicContact CD2-CD2 3.77Å; L373-L467 HydrophobicContact CD2-CG 3.67Å; L373-L467 WeakPolarHBondContact CD2-O 3.46Å; L373-L467 HydrophobicContact CG-CD2 4.45Å; L373-A469 HydrophobicContact CD1-CB 3.56Å
374	R	91.2	Very high	86.6	Confident	125 Å²	125	46.7 Å²	46.7	47%	0.472	26%	0.261	S	S	.	.	H	α-helix	trans	-63.6	-40.3	178.3	-70.9	175.6	-169	171.6	3.9	112.8	S370 F372 V376 E377 D378	S370-R374 WeakPolarHBondContact O-CG 3.35Å; S370-R374 PolarHBondContact O-N 3.27Å; S370-R374 VanDerWaalsContact O-N 3.09Å; F372-R374 PolarHBondContact O-N 3.43Å; R374-V376 VanDerWaalsContact C-N 3.32Å; R374-V376 PolarHBondContact O-N 3.38Å; R374-E377 WeakPolarHBondContact O-CB 3.46Å; R374-E377 PolarHBondContact O-N 2.86Å; R374-D378 PolarHBondContact O-N 3.3Å
375	Q	88.7	Confident	86.8	Confident	24 Å²	24	49.2 Å²	49.2	11%	0.112	27%	0.27	C	S	.	.	H	α-helix	trans	-66.3	-36	177.4	-79.4	178.2	53.5	0	0	112.7	F322 T324 Q371 F372 F379	F322-Q375 HydrophobicContact CD1-CB 4.28Å; F322-Q375 VanDerWaalsContact CD1-OE1 3.26Å; F322-Q375 HydrophobicContact CE1-CB 4.12Å; T324-Q375 PolarHBondContact OG1-NE2 3.39Å; Q371-Q375 WeakPolarHBondContact O-CB 3.47Å; Q371-Q375 WeakPolarHBondContact O-CG 3.23Å; Q371-Q375 PolarHBondContact O-N 3.21Å; Q371-Q375 VanDerWaalsContact O-N 3.16Å; F372-Q375 PolarHBondContact O-N 3.21Å; Q375-F379 VanDerWaalsContact O-CB 3.24Å; Q375-F379 WeakPolarHBondContact O-CB 3.11Å; Q375-F379 PolarHBondContact O-N 3.26Å
376	V	91.2	Very high	87	Confident	3 Å²	3	46.6 Å²	46.6	2%	0.018	25%	0.252	C	S	.	.	H	α-helix	trans	-69.1	-37.8	175.5	173.8	0	0	0	0	111.1	F322 I335 M338 L339 F372 L373 R374 F379 C380 V423 L467	F322-V376 HydrophobicContact CE1-CG2 4.44Å; F322-V376 HydrophobicContact CZ-CG2 4.35Å; I335-V376 HydrophobicContact CG2-CG2 3.62Å; M338-V376 HydrophobicContact CE-CG1 4.3Å; L339-V376 HydrophobicContact CD2-CG1 4.45Å; F372-V376 WeakPolarHBondContact O-CG2 3.29Å; F372-V376 PolarHBondContact O-N 3.27Å; L373-V376 PolarHBondContact O-N 3.36Å; R374-V376 VanDerWaalsContact C-N 3.32Å; R374-V376 PolarHBondContact O-N 3.38Å; V376-F379 PolarHBondContact O-N 3.01Å; V376-C380 WeakPolarHBondContact O-CB 3.12Å; V376-C380 PolarHBondContact O-N 3.27Å; V376-V423 HydrophobicContact CG1-CB 4.38Å; V376-V423 HydrophobicContact CG1-CG1 4.01Å; V376-L467 HydrophobicContact CB-CD2 4.22Å; V376-L467 HydrophobicContact CG1-CD2 4.38Å; V376-L467 HydrophobicContact CG2-CD2 3.93Å
377	E	89	Confident	87.3	Confident	71 Å²	71	42.2 Å²	42.2	33%	0.332	22%	0.219	S	C	.	.	H	α-helix	trans	-60.5	-48.3	173.4	-175.5	-176.4	-163.6	0	0	112	L373 R374 F379 Y385	L373-E377 PolarHBondContact O-N 3.32Å; R374-E377 WeakPolarHBondContact O-CB 3.46Å; R374-E377 PolarHBondContact O-N 2.86Å; E377-F379 VanDerWaalsContact C-N 3.28Å; E377-F379 PolarHBondContact O-N 3.34Å; E377-Y385 WeakPolarHBondContact OE1-CB 3.17Å; E377-Y385 WeakPolarHBondContact OE2-CB 3.45Å
378	D	85.8	Confident	87.2	Confident	135 Å²	135	41.3 Å²	41.3	72%	0.722	21%	0.213	S	C	*	.	H	α-helix	trans	-66.2	-31.8	179.1	-73	-24.1	0	0	0	112.5	R374	R374-D378 PolarHBondContact O-N 3.3Å
379	F	85.3	Confident	87.3	Confident	23 Å²	23	48.6 Å²	48.6	10%	0.101	23%	0.232	C	C	.	.	H	α-helix	trans	-80.1	-39.1	-177.7	179.7	-95.2	0	0	0	112.9	L321 L339 Q375 V376 E377 V536 I539 Q540 I543	L321-F379 HydrophobicContact CD2-CD1 4.11Å; L321-F379 HydrophobicContact CD2-CD2 3.47Å; L321-F379 VanDerWaalsContact CD2-CD2 3.47Å; L321-F379 HydrophobicContact CD2-CE1 4.05Å; L321-F379 HydrophobicContact CD2-CE2 3.4Å; L321-F379 HydrophobicContact CD2-CG 3.86Å; L321-F379 HydrophobicContact CD2-CZ 3.73Å; L339-F379 HydrophobicContact CD1-CD1 3.96Å; L339-F379 HydrophobicContact CD1-CE1 3.97Å; Q375-F379 VanDerWaalsContact O-CB 3.24Å; Q375-F379 WeakPolarHBondContact O-CB 3.11Å; Q375-F379 PolarHBondContact O-N 3.26Å; V376-F379 PolarHBondContact O-N 3.01Å; E377-F379 VanDerWaalsContact C-N 3.28Å; E377-F379 PolarHBondContact O-N 3.34Å; F379-V536 HydrophobicContact CD2-CG1 3.72Å; F379-V536 HydrophobicContact CE2-CG1 3.83Å; F379-I539 HydrophobicContact CE2-CB 3.94Å; F379-I539 HydrophobicContact CE2-CG2 3.9Å; F379-I539 HydrophobicContact CZ-CB 3.93Å; F379-I539 HydrophobicContact CZ-CG2 3.52Å; F379-Q540 HydrophobicContact CE1-CG 4.3Å; F379-Q540 HydrophobicContact CE2-CG 3.91Å; F379-Q540 HydrophobicContact CZ-CG 3.71Å; F379-Q540 PolarHBondContact O-NE2 3.46Å; F379-I543 HydrophobicContact CE1-CD1 3.56Å; F379-I543 HydrophobicContact CZ-CD1 3.71Å
380	C	82.2	Confident	87.1	Confident	22 Å²	22	53.6 Å²	53.6	15%	0.149	26%	0.263	C	S	.	.			trans	-96.1	123.1	-174.6	-169.6	0	0	0	0	110.8	V376 R382 A383	V376-C380 WeakPolarHBondContact O-CB 3.12Å; V376-C380 PolarHBondContact O-N 3.27Å; C380-R382 PolarHBondContact O-N 2.84Å; C380-R382 VanDerWaalsContact O-N 3.17Å; C380-A383 HydrophobicContact CB-CB 3.72Å; C380-A383 PolarHBondContact O-N 2.91Å
381	P	73.6	Confident	86.6	Confident	61 Å²	61	52.6 Å²	52.6	40%	0.396	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-29.4	-178.4	24.1	-33.6	0	0	0	113.2	E273	E273-P381 HydrophobicContact CB-CB 4.05Å; E273-P381 HydrophobicContact CG-CB 3.97Å
382	R	78.3	Confident	86.2	Confident	68 Å²	68	52.4 Å²	52.4	26%	0.257	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	40.1	178.5	-65.4	-171.2	69	163.4	3.4	112.8	C380 D420 G422 V423	C380-R382 PolarHBondContact O-N 2.84Å; C380-R382 VanDerWaalsContact O-N 3.17Å; R382-D420 PolarHBondContact NE-O 3.18Å; R382-D420 VanDerWaalsContact NE-O 3.15Å; R382-D420 PolarHBondContact NH2-O 3.29Å; R382-D420 VanDerWaalsContact NH2-O 3.1Å; R382-G422 WeakPolarHBondContact O-CA 3.24Å; R382-V423 PolarHBondContact O-N 3.42Å
383	A	86.1	Confident	85.5	Confident	16 Å²	16	53.7 Å²	53.7	13%	0.132	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	142.7	170.4	0	0	0	0	0	112	C380 V423	C380-A383 HydrophobicContact CB-CB 3.72Å; C380-A383 PolarHBondContact O-N 2.91Å; A383-V423 WeakPolarHBondContact CA-O 3.5Å; A383-V423 HydrophobicContact CB-CB 4.39Å
384	V	87.9	Confident	84.8	Confident	36 Å²	36	56 Å²	56	22%	0.218	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	124.7	176.6	-178.9	0	0	0	0	108.6	T386 A415 L418 A419 V423 C425	V384-T386 HydrophobicContact CG1-CG2 4.09Å; V384-A415 HydrophobicContact CG1-CB 3.96Å; V384-L418 HydrophobicContact CG2-CB 4.24Å; V384-A419 HydrophobicContact CB-CB 4.29Å; V384-A419 HydrophobicContact CG2-CB 3.92Å; V384-V423 PolarHBondContact N-O 2.55Å; V384-V423 VanDerWaalsContact N-O 3.12Å; V384-C425 PolarHBondContact O-N 3.07Å
385	Y	91.7	Very high	84.3	Confident	66 Å²	66	51.9 Å²	51.9	26%	0.259	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	131.6	172	178.9	-91.2	0	0	0	111.4	L373 E377 C425 D427	L373-Y385 HydrophobicContact CB-CD2 4.16Å; L373-Y385 HydrophobicContact CB-CE2 4Å; L373-Y385 HydrophobicContact CD1-CE2 4.35Å; E377-Y385 WeakPolarHBondContact OE1-CB 3.17Å; E377-Y385 WeakPolarHBondContact OE2-CB 3.45Å; Y385-C425 HydrophobicContact CD2-CB 4.1Å; Y385-D427 HydrophobicContact CE2-CB 4.12Å; Y385-D427 WeakPolarHBondContact OH-CB 3.43Å; Y385-D427 PolarHBondContact OH-OD2 2.85Å
386	T	90.1	Very high	84.1	Confident	14 Å²	14	50.8 Å²	50.8	9%	0.086	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	149.8	177.6	57.1	0	0	0	0	110.4	V384 A415 C425 I426 D427	V384-T386 HydrophobicContact CG1-CG2 4.09Å; T386-A415 HydrophobicContact CG2-CB 3.49Å; T386-A415 VanDerWaalsContact CG2-CB 3.49Å; T386-C425 PolarHBondContact N-O 3.02Å; T386-C425 PolarHBondContact OG1-O 3.12Å; T386-C425 VanDerWaalsContact OG1-O 3.11Å; T386-I426 WeakPolarHBondContact O-CA 3.45Å; T386-D427 PolarHBondContact O-N 3.4Å
387	N	90.9	Very high	83.7	Confident	37 Å²	37	51.2 Å²	51.2	20%	0.198	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	129.8	168.8	178.9	-23.6	0	0	0	108.4	R389 T390 S391 E428	N387-R389 PolarHBondContact O-N 3.4Å; N387-R389 PolarHBondContact OD1-N 2.89Å; N387-T390 PolarHBondContact O-N 3.48Å; N387-T390 PolarHBondContact O-OG1 3.19Å; N387-S391 VanDerWaalsContact O-CB 3.26Å; N387-S391 WeakPolarHBondContact O-CB 3.38Å; N387-S391 PolarHBondContact O-N 3.35Å; N387-S391 VanDerWaalsContact O-N 3.07Å; N387-S391 PolarHBondContact O-OG 3.44Å; N387-E428 PolarHBondContact ND2-OE2 2.87Å; N387-E428 PolarHBondContact OD1-OE2 3.46Å
388	G	82.4	Confident	83.3	Confident	2 Å²	2	48 Å²	48	2%	0.021	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-26.3	179.1	0	0	0	0	0	114.9	D427 M432	G388-D427 PolarHBondContact N-O 2.78Å; G388-M432 VanDerWaalsContact CA-CG 3.41Å; G388-M432 WeakPolarHBondContact O-CG 3.45Å
389	R	85.7	Confident	83.2	Confident	198 Å²	198	42.6 Å²	42.6	75%	0.747	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-35.6	178	-173	177.6	179.8	-179.1	0.8	113.4	N387 K431	N387-R389 PolarHBondContact O-N 3.4Å; N387-R389 PolarHBondContact OD1-N 2.89Å; R389-K431 HydrophobicContact CB-CB 4.39Å
390	T	84.1	Confident	83.1	Confident	115 Å²	115	43 Å²	43	71%	0.706	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-16.2	-176.9	56.3	0	0	0	0	112.7	N387	N387-T390 PolarHBondContact O-N 3.48Å; N387-T390 PolarHBondContact O-OG1 3.19Å
391	S	79.8	Confident	83.3	Confident	18 Å²	18	44.2 Å²	44.2	13%	0.126	26%	0.257	C	S	.	.			trans	-93.6	117.9	-176.2	-51	0	0	0	0	109.4	N387	N387-S391 VanDerWaalsContact O-CB 3.26Å; N387-S391 WeakPolarHBondContact O-CB 3.38Å; N387-S391 PolarHBondContact O-N 3.35Å; N387-S391 VanDerWaalsContact O-N 3.07Å; N387-S391 PolarHBondContact O-OG 3.44Å
392	S	80.5	Confident	83.8	Confident	66 Å²	66	48.2 Å²	48.2	46%	0.462	26%	0.264	S	S	.	.			trans	-83.2	163.8	169.9	59.2	0	0	0	0	110.9	A394 G395 L396 D436	S392-A394 PolarHBondContact O-N 3Å; S392-A394 VanDerWaalsContact O-N 3.09Å; S392-G395 WeakPolarHBondContact O-CA 3.27Å; S392-G395 PolarHBondContact O-N 3.11Å; S392-G395 PolarHBondContact OG-N 2.97Å; S392-L396 PolarHBondContact O-N 2.99Å; S392-D436 WeakPolarHBondContact CA-OD2 3.41Å
393	A	78	Confident	83.8	Confident	28 Å²	28	45.5 Å²	45.5	23%	0.231	25%	0.254	C	S	.	.	H	α-helix	trans	-48	-39.9	171.7	0	0	0	0	0	112.6	L396 T397 D436	A393-L396 PolarHBondContact O-N 3.35Å; A393-T397 PolarHBondContact O-N 3.44Å; A393-T397 PolarHBondContact O-OG1 3.11Å; A393-D436 VanDerWaalsContact CA-OD1 3.28Å; A393-D436 WeakPolarHBondContact CA-OD1 3.29Å; A393-D436 HydrophobicContact CB-CB 4.42Å; A393-D436 WeakPolarHBondContact CB-OD1 3.1Å; A393-D436 PolarHBondContact N-OD1 2.91Å; A393-D436 PolarHBondContact N-OD2 3.36Å
394	A	77.9	Confident	83.5	Confident	48 Å²	48	53 Å²	53	40%	0.397	29%	0.287	S	S	.	.	H	α-helix	trans	-64.1	-40.1	178.2	0	0	0	0	0	112.2	S392 A399	S392-A394 PolarHBondContact O-N 3Å; S392-A394 VanDerWaalsContact O-N 3.09Å; A394-A399 HydrophobicContact CB-CB 4.07Å
395	G	81.6	Confident	82.7	Confident	38 Å²	38	55.6 Å²	55.6	39%	0.392	30%	0.297	S	S	.	.	H	α-helix	trans	-74.8	-26.1	177.4	0	0	0	0	0	113.9	S392 G414 A415	S392-G395 WeakPolarHBondContact O-CA 3.27Å; S392-G395 PolarHBondContact O-N 3.11Å; S392-G395 PolarHBondContact OG-N 2.97Å; G395-G414 CarbonylContact O-C 3.57Å; G395-G414 WeakPolarHBondContact O-CA 3.33Å; G395-A415 PolarHBondContact O-N 2.89Å
396	L	83.3	Confident	81.7	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-85.1	-43.5	178.2	-72.7	161.6	0	0	0	112.9	S392 A393 G414 A415 L416 M432 D436 I440	S392-L396 PolarHBondContact O-N 2.99Å; A393-L396 PolarHBondContact O-N 3.35Å; L396-G414 CarbonylContact O-C 3.57Å; L396-A415 PolarHBondContact O-N 2.97Å; L396-L416 VanDerWaalsContact O-CB 3.24Å; L396-L416 WeakPolarHBondContact O-CB 3.47Å; L396-L416 WeakPolarHBondContact O-CG 3.46Å; L396-L416 PolarHBondContact O-N 3.45Å; L396-M432 HydrophobicContact CD1-CE 3.34Å; L396-D436 HydrophobicContact CD1-CB 4.28Å; L396-I440 HydrophobicContact CD1-CD1 4.1Å
397	T	82.8	Confident	81	Confident	13 Å²	13	60.7 Å²	60.7	8%	0.08	33%	0.325	C	S	.	.	S	Bend	trans	-96.2	-95.1	-173.1	58.8	0	0	0	0	112.2	A393 G414 L416 A439 I449	A393-T397 PolarHBondContact O-N 3.44Å; A393-T397 PolarHBondContact O-OG1 3.11Å; T397-G414 WeakPolarHBondContact O-CA 3.29Å; T397-G414 PolarHBondContact O-N 2.98Å; T397-L416 HydrophobicContact CG2-CD1 4.49Å; T397-A439 HydrophobicContact CG2-CB 3.66Å; T397-I449 HydrophobicContact CG2-CD1 3.9Å; T397-I449 HydrophobicContact CG2-CG2 4.45Å
398	A	81.5	Confident	80.5	Confident	3 Å²	3	64 Å²	64	3%	0.025	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	152.7	167.2	0	0	0	0	0	109.6	I411 E412 M417 I451 L460	A398-I411 HydrophobicContact CB-CG2 3.93Å; A398-E412 CarbonylContact C-O 3.41Å; A398-E412 WeakPolarHBondContact CA-O 3.46Å; A398-E412 WeakPolarHBondContact CB-O 3.45Å; A398-M417 HydrophobicContact CB-SD 3.45Å; A398-M417 WeakPolarHBondContact CB-SD 3.48Å; A398-I451 HydrophobicContact CB-CD1 3.29Å; A398-L460 HydrophobicContact CB-CD1 3.71Å
399	A	83.2	Confident	80.4	Confident	21 Å²	21	68.4 Å²	68.4	17%	0.174	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	146.5	177.8	0	0	0	0	0	110.1	A394 V401 I411 E412	A394-A399 HydrophobicContact CB-CB 4.07Å; A399-V401 HydrophobicContact CB-CG2 4.24Å; A399-I411 CarbonylContact O-C 3.55Å; A399-I411 WeakPolarHBondContact O-CA 3.43Å; A399-E412 PolarHBondContact N-O 2.85Å; A399-E412 PolarHBondContact O-N 3.41Å
400	V	83.9	Confident	80	Confident	31 Å²	31	60.7 Å²	60.7	19%	0.188	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	109.7	168.2	-179.9	0	0	0	0	107	F409 V410 I451 K453 A454 V456	V400-F409 HydrophobicContact CG1-CB 3.72Å; V400-F409 HydrophobicContact CG1-CD1 4.03Å; V400-F409 HydrophobicContact CG1-CG 4.21Å; V400-V410 WeakPolarHBondContact CA-O 3.33Å; V400-I451 HydrophobicContact CG2-CG2 3.8Å; V400-K453 HydrophobicContact CB-CB 4.38Å; V400-K453 HydrophobicContact CG2-CB 4.09Å; V400-A454 HydrophobicContact CG1-CB 4.18Å; V400-V456 HydrophobicContact CG1-CG2 4.27Å
401	V	85.1	Confident	79.7	Confident	49 Å²	49	58.1 Å²	58.1	30%	0.297	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	138.1	-179.1	179.5	0	0	0	0	108.3	A399 V410 E412	A399-V401 HydrophobicContact CB-CG2 4.24Å; V401-V410 PolarHBondContact N-O 3.21Å; V401-V410 WeakPolarHBondContact O-CG2 3.18Å; V401-V410 PolarHBondContact O-N 2.94Å; V401-V410 VanDerWaalsContact O-O 3.14Å; V401-E412 HydrophobicContact CB-CG 4.25Å; V401-E412 HydrophobicContact CG2-CG 3.94Å; V401-E412 WeakPolarHBondContact CG2-OE2 3.29Å
402	R	84.3	Confident	79.6	Confident	145 Å²	145	60.2 Å²	60.2	55%	0.547	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	119.3	171.1	-169	178.1	-175.7	-170.1	-1.9	108.3	F407 F409	R402-F407 PolarHBondContact NE-O 3.43Å; R402-F409 HydrophobicContact CB-CD1 3.96Å; R402-F409 HydrophobicContact CB-CE1 3.84Å; R402-F409 HydrophobicContact CG-CD1 4.33Å; R402-F409 HydrophobicContact CG-CE1 4.13Å
403	D	78.5	Confident	79.6	Confident	10 Å²	10	58.4 Å²	58.4	5%	0.053	31%	0.311	C	S	.	.			trans	-76.1	135.7	176	-178.9	48.4	0	0	0	110.2	R108 S406 F407 E408 V410	R108-D403 IonicContact NH1-OD1 3.23Å; D403-S406 WeakPolarHBondContact CB-OG 3.48Å; D403-S406 PolarHBondContact OD2-N 3.49Å; D403-S406 VanDerWaalsContact OD2-N 3.15Å; D403-S406 PolarHBondContact OD2-OG 3.47Å; D403-F407 WeakPolarHBondContact O-CA 3.49Å; D403-F407 PolarHBondContact O-N 3.05Å; D403-E408 PolarHBondContact N-O 3.09Å; D403-V410 HydrophobicContact CB-CG1 4.26Å; D403-V410 HydrophobicContact CB-CG2 4.09Å
404	E	79.8	Confident	79.9	Confident	173 Å²	173	57.2 Å²	57.2	81%	0.808	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-26.9	-178	-66	-177.9	172	0	0	112
405	E	72.6	Confident	80.3	Confident	92 Å²	92	55.3 Å²	55.3	43%	0.43	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-45.7	-179.8	-65.3	-175.9	-172.9	0	0	111.2	K170 R172 R261	K170-E405 IonicContact NZ-OE2 2.88Å; K170-E405 PolarHBondContact NZ-OE2 2.96Å; R172-E405 IonicContact CZ-OE1 2.88Å; R172-E405 IonicContact NH2-OE1 3.73Å; R172-E405 PolarHBondContact NH2-OE1 3.44Å; R172-E405 IonicContact NH2-OE2 3.04Å; R261-E405 IonicContact NH1-OE1 3.34Å; R261-E405 PolarHBondContact NH1-OE1 3.18Å; R261-E405 IonicContact NH2-OE1 2.71Å
406	S	70.1	Confident	80.5	Confident	49 Å²	49	53.6 Å²	53.6	34%	0.343	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-16.1	-176	55.8	0	0	0	0	114.5	D403 E408	D403-S406 WeakPolarHBondContact CB-OG 3.48Å; D403-S406 PolarHBondContact OD2-N 3.49Å; D403-S406 VanDerWaalsContact OD2-N 3.15Å; D403-S406 PolarHBondContact OD2-OG 3.47Å; S406-E408 PolarHBondContact O-N 3.43Å; S406-E408 VanDerWaalsContact O-N 3.1Å; S406-E408 PolarHBondContact OG-N 3.26Å
407	F	75.9	Confident	80.6	Confident	138 Å²	138	55.1 Å²	55.1	61%	0.605	28%	0.276	S	S	*	.			trans	58.4	5.4	-165.5	-66.1	-76.4	0	0	0	115.2	R402 D403	R402-F407 PolarHBondContact NE-O 3.43Å; D403-F407 WeakPolarHBondContact O-CA 3.49Å; D403-F407 PolarHBondContact O-N 3.05Å
408	E	80.1	Confident	80.5	Confident	105 Å²	105	57 Å²	57	49%	0.491	29%	0.285	S	S	.	.	S	Bend	trans	-85.8	154.5	178.1	-64.8	-166.4	164.8	0	0	111.7	D403 S406 V410	D403-E408 PolarHBondContact N-O 3.09Å; S406-E408 PolarHBondContact O-N 3.43Å; S406-E408 VanDerWaalsContact O-N 3.1Å; S406-E408 PolarHBondContact OG-N 3.26Å; E408-V410 PolarHBondContact O-N 3.38Å
409	F	79.4	Confident	80.7	Confident	96 Å²	96	56.9 Å²	56.9	42%	0.421	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	110	174.2	-69.1	-71.5	0	0	0	109.2	V400 R402 A454 V456	V400-F409 HydrophobicContact CG1-CB 3.72Å; V400-F409 HydrophobicContact CG1-CD1 4.03Å; V400-F409 HydrophobicContact CG1-CG 4.21Å; R402-F409 HydrophobicContact CB-CD1 3.96Å; R402-F409 HydrophobicContact CB-CE1 3.84Å; R402-F409 HydrophobicContact CG-CD1 4.33Å; R402-F409 HydrophobicContact CG-CE1 4.13Å; F409-A454 HydrophobicContact CD1-CB 3.68Å; F409-A454 HydrophobicContact CD2-CB 4Å; F409-A454 WeakPolarHBondContact CD2-O 3.34Å; F409-A454 HydrophobicContact CE1-CB 3.69Å; F409-A454 HydrophobicContact CE2-CB 4.02Å; F409-A454 HydrophobicContact CG-CB 3.84Å; F409-A454 HydrophobicContact CZ-CB 3.87Å; F409-V456 HydrophobicContact CB-CG2 3.78Å
410	V	77.8	Confident	80.7	Confident	36 Å²	36	57 Å²	57	22%	0.218	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	147.3	176.3	-63.7	0	0	0	0	110.3	V400 V401 D403 E408	V400-V410 WeakPolarHBondContact CA-O 3.33Å; V401-V410 PolarHBondContact N-O 3.21Å; V401-V410 WeakPolarHBondContact O-CG2 3.18Å; V401-V410 PolarHBondContact O-N 2.94Å; V401-V410 VanDerWaalsContact O-O 3.14Å; D403-V410 HydrophobicContact CB-CG1 4.26Å; D403-V410 HydrophobicContact CB-CG2 4.09Å; E408-V410 PolarHBondContact O-N 3.38Å
411	I	77.7	Confident	80.6	Confident	60 Å²	60	56.7 Å²	56.7	31%	0.308	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	122.9	174.6	-55.2	176	0	0	0	108.1	A398 A399 V456 A458 L460	A398-I411 HydrophobicContact CB-CG2 3.93Å; A399-I411 CarbonylContact O-C 3.55Å; A399-I411 WeakPolarHBondContact O-CA 3.43Å; I411-V456 HydrophobicContact CD1-CG1 3.7Å; I411-V456 HydrophobicContact CG1-CG1 3.93Å; I411-A458 HydrophobicContact CD1-CB 3.51Å; I411-L460 HydrophobicContact CG2-CD1 3.85Å
412	E	76.9	Confident	80.7	Confident	62 Å²	62	54.6 Å²	54.6	29%	0.29	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	123.9	167.3	-63.6	-163	144.9	0	0	109.5	R108 A398 A399 V401	R108-E412 IonicContact CZ-OE1 2.81Å; R108-E412 IonicContact NE-OE1 3.09Å; R108-E412 PolarHBondContact NE-OE1 3.35Å; R108-E412 IonicContact NH2-OE1 3.42Å; R108-E412 PolarHBondContact NH2-OE1 3.13Å; A398-E412 CarbonylContact C-O 3.41Å; A398-E412 WeakPolarHBondContact CA-O 3.46Å; A398-E412 WeakPolarHBondContact CB-O 3.45Å; A399-E412 PolarHBondContact N-O 2.85Å; A399-E412 PolarHBondContact O-N 3.41Å; V401-E412 HydrophobicContact CB-CG 4.25Å; V401-E412 HydrophobicContact CG2-CG 3.94Å; V401-E412 WeakPolarHBondContact CG2-OE2 3.29Å
413	A	80.7	Confident	81.1	Confident	28 Å²	28	47.9 Å²	47.9	23%	0.231	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	131.2	178.3	0	0	0	0	0	111	P203 M417 L418	P203-A413 HydrophobicContact CG-CB 4.27Å; A413-M417 HydrophobicContact CB-CB 3.95Å; A413-M417 HydrophobicContact CB-CE 3.93Å; A413-M417 HydrophobicContact CB-SD 4.2Å; A413-L418 HydrophobicContact CB-CD2 4.12Å; A413-L418 HydrophobicContact CB-CG 4.47Å
414	G	84.9	Confident	81.7	Confident	4 Å²	4	47.4 Å²	47.4	4%	0.041	24%	0.24	C	C	.	.			trans	-86	177.6	171.8	0	0	0	0	0	112.8	G395 L396 T397 L416 M417 L418	G395-G414 CarbonylContact O-C 3.57Å; G395-G414 WeakPolarHBondContact O-CA 3.33Å; L396-G414 CarbonylContact O-C 3.57Å; T397-G414 WeakPolarHBondContact O-CA 3.29Å; T397-G414 PolarHBondContact O-N 2.98Å; G414-L416 VanDerWaalsContact C-N 3.3Å; G414-L416 PolarHBondContact O-N 2.85Å; G414-M417 WeakPolarHBondContact O-CB 3.35Å; G414-M417 PolarHBondContact O-N 3.28Å; G414-L418 WeakPolarHBondContact O-CG 3.39Å; G414-L418 PolarHBondContact O-N 2.79Å
415	A	86	Confident	82.4	Confident	8 Å²	8	39.2 Å²	39.2	7%	0.066	20%	0.201	C	C	.	.	H	α-helix	trans	-54.2	-39.7	-174.3	0	0	0	0	0	114.1	V384 T386 G395 L396 M417 L418 A419	V384-A415 HydrophobicContact CG1-CB 3.96Å; T386-A415 HydrophobicContact CG2-CB 3.49Å; T386-A415 VanDerWaalsContact CG2-CB 3.49Å; G395-A415 PolarHBondContact O-N 2.89Å; L396-A415 PolarHBondContact O-N 2.97Å; A415-M417 VanDerWaalsContact C-N 3.33Å; A415-M417 PolarHBondContact O-N 2.74Å; A415-L418 PolarHBondContact O-N 2.97Å; A415-A419 WeakPolarHBondContact O-CB 3.15Å; A415-A419 PolarHBondContact O-N 3.43Å; A415-A419 VanDerWaalsContact O-N 3.12Å
416	L	86.9	Confident	83.4	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-66.5	-35.5	178.4	-70.1	168.3	0	0	0	112.1	L396 T397 G414 C424 I440 A443 T464 I466	L396-L416 VanDerWaalsContact O-CB 3.24Å; L396-L416 WeakPolarHBondContact O-CB 3.47Å; L396-L416 WeakPolarHBondContact O-CG 3.46Å; L396-L416 PolarHBondContact O-N 3.45Å; T397-L416 HydrophobicContact CG2-CD1 4.49Å; G414-L416 VanDerWaalsContact C-N 3.3Å; G414-L416 PolarHBondContact O-N 2.85Å; L416-C424 HydrophobicContact CD2-CB 3.81Å; L416-I440 HydrophobicContact CD1-CG1 4.23Å; L416-A443 HydrophobicContact CD1-CB 4.24Å; L416-T464 WeakPolarHBondContact O-CG2 3.44Å; L416-I466 HydrophobicContact CD2-CD1 4.33Å
417	M	83.8	Confident	84.5	Confident	34 Å²	34	33.2 Å²	33.2	17%	0.167	17%	0.168	C	C	.	.	H	α-helix	trans	-74.8	-39.5	178	-69.9	-177.2	57.1	0	0	112	A398 A413 G414 A415 A419 D420 L460	A398-M417 HydrophobicContact CB-SD 3.45Å; A398-M417 WeakPolarHBondContact CB-SD 3.48Å; A413-M417 HydrophobicContact CB-CB 3.95Å; A413-M417 HydrophobicContact CB-CE 3.93Å; A413-M417 HydrophobicContact CB-SD 4.2Å; G414-M417 WeakPolarHBondContact O-CB 3.35Å; G414-M417 PolarHBondContact O-N 3.28Å; A415-M417 VanDerWaalsContact C-N 3.33Å; A415-M417 PolarHBondContact O-N 2.74Å; M417-A419 PolarHBondContact O-N 3.29Å; M417-D420 PolarHBondContact O-N 2.95Å; M417-D420 VanDerWaalsContact O-N 3.16Å; M417-L460 HydrophobicContact CE-CB 3.69Å; M417-L460 HydrophobicContact CE-CD1 3.57Å; M417-L460 HydrophobicContact CE-CD2 3.76Å; M417-L460 HydrophobicContact CE-CG 3.82Å; M417-L460 HydrophobicContact SD-CB 3.81Å; M417-L460 HydrophobicContact SD-CD1 3.39Å; M417-L460 WeakPolarHBondContact SD-CD1 3.32Å; M417-L460 HydrophobicContact SD-CG 4.08Å
418	L	82.2	Confident	85.2	Confident	53 Å²	53	29.5 Å²	29.5	28%	0.277	15%	0.153	S	C	.	.	H	α-helix	trans	-60	-33.5	175.6	-61.4	171.2	0	0	0	110.9	V384 A413 G414 A415 D420	V384-L418 HydrophobicContact CG2-CB 4.24Å; A413-L418 HydrophobicContact CB-CD2 4.12Å; A413-L418 HydrophobicContact CB-CG 4.47Å; G414-L418 WeakPolarHBondContact O-CG 3.39Å; G414-L418 PolarHBondContact O-N 2.79Å; A415-L418 PolarHBondContact O-N 2.97Å; L418-D420 PolarHBondContact O-N 3.19Å
419	A	84.8	Confident	85.7	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	13	178.5	0	0	0	0	0	115.2	V384 A415 M417 N421 G422 C424 T464	V384-A419 HydrophobicContact CB-CB 4.29Å; V384-A419 HydrophobicContact CG2-CB 3.92Å; A415-A419 WeakPolarHBondContact O-CB 3.15Å; A415-A419 PolarHBondContact O-N 3.43Å; A415-A419 VanDerWaalsContact O-N 3.12Å; M417-A419 PolarHBondContact O-N 3.29Å; A419-N421 PolarHBondContact O-N 2.95Å; A419-G422 CarbonylContact O-C 3.6Å; A419-G422 VanDerWaalsContact O-CA 3.31Å; A419-G422 WeakPolarHBondContact O-CA 3.44Å; A419-G422 PolarHBondContact O-N 2.91Å; A419-C424 HydrophobicContact CB-CB 4.42Å; A419-T464 HydrophobicContact CB-CG2 3.99Å; A419-T464 WeakPolarHBondContact O-CG2 3.41Å
420	D	83.5	Confident	86.1	Confident	22 Å²	22	20.3 Å²	20.3	12%	0.118	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	132.6	-177.9	-168	39.4	0	0	0	112.4	R382 M417 L418 G422 R463	R382-D420 PolarHBondContact NE-O 3.18Å; R382-D420 VanDerWaalsContact NE-O 3.15Å; R382-D420 PolarHBondContact NH2-O 3.29Å; R382-D420 VanDerWaalsContact NH2-O 3.1Å; M417-D420 PolarHBondContact O-N 2.95Å; M417-D420 VanDerWaalsContact O-N 3.16Å; L418-D420 PolarHBondContact O-N 3.19Å; D420-G422 PolarHBondContact O-N 3.43Å; D420-G422 VanDerWaalsContact O-N 3.16Å; D420-R463 WeakPolarHBondContact OD1-CA 3.34Å; D420-R463 VanDerWaalsContact OD1-CB 3.28Å; D420-R463 WeakPolarHBondContact OD1-CB 3.4Å; D420-R463 PolarHBondContact OD1-N 3.01Å; D420-R463 IonicContact OD1-NE 2.86Å; D420-R463 PolarHBondContact OD1-NE 2.93Å; D420-R463 IonicContact OD2-CZ 3.87Å; D420-R463 IonicContact OD2-NE 2.97Å; D420-R463 IonicContact OD2-NH2 3.87Å; D420-R463 PolarHBondContact OD2-NH2 3.45Å
421	N	82.2	Confident	86.5	Confident	25 Å²	25	24.4 Å²	24.4	13%	0.134	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	8.9	-171.6	-59.8	-57.8	0	0	0	116.7	F282 A419 R463 R547	F282-N421 HydrophobicContact CE1-CB 3.78Å; F282-N421 HydrophobicContact CZ-CB 4.11Å; A419-N421 PolarHBondContact O-N 2.95Å; N421-R463 WeakPolarHBondContact CA-O 3.31Å; N421-R463 PolarHBondContact N-O 3.18Å; N421-R547 PolarHBondContact O-NH1 3.16Å; N421-R547 PolarHBondContact O-NH2 2.92Å
422	G	86.7	Confident	86.9	Confident	5 Å²	5	22 Å²	22	5%	0.052	11%	0.114	C	C	.	.	S	Bend	trans	-113.8	-147.5	176.6	0	0	0	0	0	112.8	R382 A419 D420 S465	R382-G422 WeakPolarHBondContact O-CA 3.24Å; A419-G422 CarbonylContact O-C 3.6Å; A419-G422 VanDerWaalsContact O-CA 3.31Å; A419-G422 WeakPolarHBondContact O-CA 3.44Å; A419-G422 PolarHBondContact O-N 2.91Å; D420-G422 PolarHBondContact O-N 3.43Å; D420-G422 VanDerWaalsContact O-N 3.16Å; G422-S465 PolarHBondContact O-N 2.99Å; G422-S465 VanDerWaalsContact O-N 3.1Å
423	V	91.6	Very high	87.4	Confident	5 Å²	5	25 Å²	25	3%	0.03	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	129.4	-176.5	-177.6	0	0	0	0	110.1	M338 L339 V376 R382 A383 V384 S465 L467	M338-V423 HydrophobicContact CE-CG1 3.69Å; M338-V423 HydrophobicContact CE-CG2 4.11Å; M338-V423 HydrophobicContact SD-CG1 4.34Å; L339-V423 HydrophobicContact CD2-CG2 3.98Å; V376-V423 HydrophobicContact CG1-CB 4.38Å; V376-V423 HydrophobicContact CG1-CG1 4.01Å; R382-V423 PolarHBondContact O-N 3.42Å; A383-V423 WeakPolarHBondContact CA-O 3.5Å; A383-V423 HydrophobicContact CB-CB 4.39Å; V384-V423 PolarHBondContact N-O 2.55Å; V384-V423 VanDerWaalsContact N-O 3.12Å; V423-S465 CarbonylContact C-O 3.48Å; V423-S465 WeakPolarHBondContact CA-O 3.5Å; V423-L467 HydrophobicContact CG1-CB 4.15Å
424	C	92.9	Very high	87.6	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	115.9	169.3	-173.7	0	0	0	0	109.2	L416 A419 S465 L467	L416-C424 HydrophobicContact CD2-CB 3.81Å; A419-C424 HydrophobicContact CB-CB 4.42Å; C424-S465 PolarHBondContact N-O 3.46Å; C424-L467 PolarHBondContact O-N 2.91Å
425	C	94.4	Very high	87.6	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	119.2	176.6	-70.8	0	0	0	0	108.6	L373 V384 Y385 T386 L467	L373-C425 HydrophobicContact CB-CB 4.33Å; L373-C425 HydrophobicContact CD2-CB 3.53Å; V384-C425 PolarHBondContact O-N 3.07Å; Y385-C425 HydrophobicContact CD2-CB 4.1Å; T386-C425 PolarHBondContact N-O 3.02Å; T386-C425 PolarHBondContact OG1-O 3.12Å; T386-C425 VanDerWaalsContact OG1-O 3.11Å; C425-L467 WeakPolarHBondContact CA-O 3.23Å
426	I	93.2	Very high	87.5	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	113.5	178.2	-49.5	176.2	0	0	0	109	T386 F429 M432 I440 I466 L467 A468 A469	T386-I426 WeakPolarHBondContact O-CA 3.45Å; I426-F429 HydrophobicContact CB-CD2 4.42Å; I426-F429 HydrophobicContact CD1-CD2 4.38Å; I426-F429 HydrophobicContact CD1-CE2 4.38Å; I426-F429 HydrophobicContact CG2-CD2 3.92Å; I426-M432 HydrophobicContact CG2-SD 4.18Å; I426-I440 HydrophobicContact CD1-CD1 4Å; I426-I466 HydrophobicContact CD1-CG2 4Å; I426-I466 HydrophobicContact CG1-CG2 4.45Å; I426-L467 PolarHBondContact N-O 3.37Å; I426-A468 CarbonylContact O-C 3.52Å; I426-A468 WeakPolarHBondContact O-CA 3.4Å; I426-A469 PolarHBondContact O-N 3.36Å
427	D	92.9	Very high	87.4	Confident	15 Å²	15	38.3 Å²	38.3	8%	0.08	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	156	170.4	-153.4	-6	0	0	0	110.9	S370 L373 Y385 T386 G388 F429	S370-D427 WeakPolarHBondContact CB-OD2 3.43Å; S370-D427 PolarHBondContact OG-OD2 2.81Å; L373-D427 HydrophobicContact CD1-CB 3.9Å; Y385-D427 HydrophobicContact CE2-CB 4.12Å; Y385-D427 WeakPolarHBondContact OH-CB 3.43Å; Y385-D427 PolarHBondContact OH-OD2 2.85Å; T386-D427 PolarHBondContact O-N 3.4Å; G388-D427 PolarHBondContact N-O 2.78Å; D427-F429 VanDerWaalsContact C-N 3.29Å; D427-F429 PolarHBondContact O-N 3.45Å
428	E	90.5	Very high	87.5	Confident	60 Å²	60	41.2 Å²	41.2	28%	0.28	20%	0.203	S	C	.	.	S	Bend	trans	51.2	44.9	-179.8	-55.4	-173.4	141.7	0	0	113.3	N387 D430 K431 A469	N387-E428 PolarHBondContact ND2-OE2 2.87Å; N387-E428 PolarHBondContact OD1-OE2 3.46Å; E428-D430 PolarHBondContact O-N 3.48Å; E428-D430 VanDerWaalsContact O-N 3.12Å; E428-K431 HydrophobicContact CB-CB 4.35Å; E428-K431 HydrophobicContact CB-CG 4.13Å; E428-K431 WeakPolarHBondContact O-CB 3.5Å; E428-K431 PolarHBondContact O-N 2.91Å; E428-A469 PolarHBondContact N-O 3.37Å
429	F	90	Very high	87.6	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-59.6	-26.8	-175.8	-172	-115	0	0	0	113.1	I426 D427 K431 M432 I440 A468 A469 L489 I493 F497	I426-F429 HydrophobicContact CB-CD2 4.42Å; I426-F429 HydrophobicContact CD1-CD2 4.38Å; I426-F429 HydrophobicContact CD1-CE2 4.38Å; I426-F429 HydrophobicContact CG2-CD2 3.92Å; D427-F429 VanDerWaalsContact C-N 3.29Å; D427-F429 PolarHBondContact O-N 3.45Å; F429-K431 VanDerWaalsContact C-N 3.26Å; F429-K431 PolarHBondContact O-N 2.91Å; F429-M432 HydrophobicContact CD2-CG 4.44Å; F429-M432 HydrophobicContact CD2-SD 3.45Å; F429-M432 WeakPolarHBondContact CD2-SD 3.5Å; F429-M432 HydrophobicContact CE2-SD 3.62Å; F429-I440 HydrophobicContact CE2-CD1 4.12Å; F429-A468 HydrophobicContact CB-CB 4.21Å; F429-A468 HydrophobicContact CD1-CB 4.28Å; F429-A468 HydrophobicContact CD2-CB 4.46Å; F429-A468 HydrophobicContact CG-CB 4.08Å; F429-A469 WeakPolarHBondContact CB-O 3.41Å; F429-A469 PolarHBondContact N-O 2.95Å; F429-L489 HydrophobicContact CD1-CD1 3.84Å; F429-L489 HydrophobicContact CD1-CD2 3.47Å; F429-L489 VanDerWaalsContact CD1-CD2 3.47Å; F429-L489 HydrophobicContact CD1-CG 4.3Å; F429-L489 HydrophobicContact CE1-CD1 3.92Å; F429-L489 HydrophobicContact CE1-CD2 3.43Å; F429-L489 VanDerWaalsContact CE1-CD2 3.43Å; F429-L489 HydrophobicContact CE1-CG 4.32Å; F429-L489 HydrophobicContact CZ-CD2 4.45Å; F429-I493 HydrophobicContact CE1-CG2 3.71Å; F429-I493 HydrophobicContact CZ-CD1 4.39Å; F429-I493 HydrophobicContact CZ-CG2 3.85Å; F429-F497 AromaticContact CE1-CE2 3.95Å; F429-F497 HydrophobicContact CE1-CE2 3.95Å; F429-F497 HydrophobicContact CE1-CZ 4.21Å; F429-F497 HydrophobicContact CZ-CE2 4.36Å; F429-F497 HydrophobicContact CZ-CZ 4.38Å
430	D	88.2	Confident	87.7	Confident	9 Å²	9	39.6 Å²	39.6	5%	0.048	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-70.7	-16.8	175.8	65.9	-70.5	0	0	0	114.2	E428 N471	E428-D430 PolarHBondContact O-N 3.48Å; E428-D430 VanDerWaalsContact O-N 3.12Å; D430-N471 PolarHBondContact OD1-N 2.91Å
431	K	86.7	Confident	87.9	Confident	121 Å²	121	41.2 Å²	41.2	53%	0.526	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-92.9	0.5	-179.5	-58.1	-54.2	-176	-134.4	0	113.9	R389 E428 F429	R389-K431 HydrophobicContact CB-CB 4.39Å; E428-K431 HydrophobicContact CB-CB 4.35Å; E428-K431 HydrophobicContact CB-CG 4.13Å; E428-K431 WeakPolarHBondContact O-CB 3.5Å; E428-K431 PolarHBondContact O-N 2.91Å; F429-K431 VanDerWaalsContact C-N 3.26Å; F429-K431 PolarHBondContact O-N 2.91Å
432	M	86.2	Confident	88.1	Confident	9 Å²	9	42.7 Å²	42.7	4%	0.044	21%	0.21	C	C	.	.	S	Bend	trans	-69.7	145.2	179.1	-70.3	-167.1	60.6	0	0	112.9	G388 L396 I426 F429 D436 Q437 I440	G388-M432 VanDerWaalsContact CA-CG 3.41Å; G388-M432 WeakPolarHBondContact O-CG 3.45Å; L396-M432 HydrophobicContact CD1-CE 3.34Å; I426-M432 HydrophobicContact CG2-SD 4.18Å; F429-M432 HydrophobicContact CD2-CG 4.44Å; F429-M432 HydrophobicContact CD2-SD 3.45Å; F429-M432 WeakPolarHBondContact CD2-SD 3.5Å; F429-M432 HydrophobicContact CE2-SD 3.62Å; M432-D436 HydrophobicContact CE-CB 3.59Å; M432-Q437 HydrophobicContact CB-CG 4.13Å; M432-Q437 PolarHBondContact O-NE2 2.89Å; M432-I440 HydrophobicContact CE-CD1 3.5Å; M432-I440 VanDerWaalsContact CE-CD1 3.5Å; M432-I440 HydrophobicContact SD-CD1 3.94Å
433	E	87.2	Confident	88.1	Confident	126 Å²	126	42.8 Å²	42.8	59%	0.589	21%	0.211	S	C	*	.			trans	-67.5	149.2	171.7	-66.3	-169	-174.6	0	0	111.8	K435 D436 Q437	E433-K435 PolarHBondContact O-N 2.93Å; E433-D436 PolarHBondContact O-N 3.29Å; E433-D436 VanDerWaalsContact O-N 3.09Å; E433-Q437 PolarHBondContact O-N 2.9Å; E433-Q437 VanDerWaalsContact O-N 3.09Å
434	I	85.7	Confident	88	Confident	134 Å²	134	42.8 Å²	42.8	69%	0.687	21%	0.211	S	C	*	.	H	α-helix	trans	-60.3	-33.4	-179.6	-60.1	169.8	0	0	0	111.5	D436 Q437 V438	I434-D436 VanDerWaalsContact C-N 3.31Å; I434-D436 PolarHBondContact O-N 3.29Å; I434-Q437 PolarHBondContact O-N 3.15Å; I434-V438 WeakPolarHBondContact O-CG2 3.15Å; I434-V438 PolarHBondContact O-N 3.05Å; I434-V438 VanDerWaalsContact O-N 3.13Å
435	K	83.6	Confident	87.5	Confident	164 Å²	164	46.8 Å²	46.8	71%	0.713	23%	0.229	S	C	*	.	H	α-helix	trans	-61.8	-40.7	177.3	-66.9	178.5	-177.6	171.4	0	111.8	E433 V438 A439	E433-K435 PolarHBondContact O-N 2.93Å; K435-V438 PolarHBondContact O-N 2.98Å; K435-A439 PolarHBondContact O-N 3.43Å
436	D	85	Confident	87.1	Confident	10 Å²	10	51.6 Å²	51.6	5%	0.053	25%	0.252	C	S	.	.	H	α-helix	trans	-75	-36	-177.5	-58.2	-7.9	0	0	0	110.3	S392 A393 L396 M432 E433 I434 V438 A439 I440	S392-D436 WeakPolarHBondContact CA-OD2 3.41Å; A393-D436 VanDerWaalsContact CA-OD1 3.28Å; A393-D436 WeakPolarHBondContact CA-OD1 3.29Å; A393-D436 HydrophobicContact CB-CB 4.42Å; A393-D436 WeakPolarHBondContact CB-OD1 3.1Å; A393-D436 PolarHBondContact N-OD1 2.91Å; A393-D436 PolarHBondContact N-OD2 3.36Å; L396-D436 HydrophobicContact CD1-CB 4.28Å; M432-D436 HydrophobicContact CE-CB 3.59Å; E433-D436 PolarHBondContact O-N 3.29Å; E433-D436 VanDerWaalsContact O-N 3.09Å; I434-D436 VanDerWaalsContact C-N 3.31Å; I434-D436 PolarHBondContact O-N 3.29Å; D436-V438 VanDerWaalsContact C-N 3.33Å; D436-V438 PolarHBondContact O-N 2.87Å; D436-A439 PolarHBondContact O-N 3.12Å; D436-I440 WeakPolarHBondContact O-CG1 3.46Å; D436-I440 PolarHBondContact O-N 2.88Å
437	Q	84.1	Confident	86.7	Confident	13 Å²	13	52.4 Å²	52.4	6%	0.061	26%	0.255	C	S	.	.	H	α-helix	trans	-60.4	-38.1	172.5	-71.9	-174.5	12.9	0	0	112.9	M432 E433 I434 I440 H441 I493	M432-Q437 HydrophobicContact CB-CG 4.13Å; M432-Q437 PolarHBondContact O-NE2 2.89Å; E433-Q437 PolarHBondContact O-N 2.9Å; E433-Q437 VanDerWaalsContact O-N 3.09Å; I434-Q437 PolarHBondContact O-N 3.15Å; Q437-I440 PolarHBondContact O-N 3.47Å; Q437-H441 WeakPolarHBondContact O-CB 3.3Å; Q437-H441 PolarHBondContact O-N 3.37Å; Q437-I493 HydrophobicContact CB-CD1 3.8Å; Q437-I493 HydrophobicContact CG-CD1 4.13Å
438	V	85.2	Confident	86.5	Confident	94 Å²	94	53.5 Å²	53.5	57%	0.57	26%	0.263	S	S	*	.	H	α-helix	trans	-64.5	-43	176.3	173.3	0	0	0	0	111	I434 K435 D436 I440 H441 E442	I434-V438 WeakPolarHBondContact O-CG2 3.15Å; I434-V438 PolarHBondContact O-N 3.05Å; I434-V438 VanDerWaalsContact O-N 3.13Å; K435-V438 PolarHBondContact O-N 2.98Å; D436-V438 VanDerWaalsContact C-N 3.33Å; D436-V438 PolarHBondContact O-N 2.87Å; V438-I440 VanDerWaalsContact C-N 3.35Å; V438-I440 PolarHBondContact O-N 2.85Å; V438-H441 WeakPolarHBondContact O-CB 3.45Å; V438-H441 PolarHBondContact O-N 2.96Å; V438-E442 PolarHBondContact O-N 2.68Å; V438-E442 VanDerWaalsContact O-N 3.17Å
439	A	84.8	Confident	86.3	Confident	20 Å²	20	51 Å²	51	17%	0.165	25%	0.251	C	S	.	.	H	α-helix	trans	-65.2	-38.9	179.5	0	0	0	0	0	112	T397 K435 D436 A443	T397-A439 HydrophobicContact CG2-CB 3.66Å; K435-A439 PolarHBondContact O-N 3.43Å; D436-A439 PolarHBondContact O-N 3.12Å; A439-A443 PolarHBondContact O-N 2.75Å
440	I	87.8	Confident	86.1	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.5	-39.6	172.5	-70.3	-177.9	0	0	0	111.4	L396 L416 I426 F429 M432 D436 Q437 V438 E442 A443 M444 I466	L396-I440 HydrophobicContact CD1-CD1 4.1Å; L416-I440 HydrophobicContact CD1-CG1 4.23Å; I426-I440 HydrophobicContact CD1-CD1 4Å; F429-I440 HydrophobicContact CE2-CD1 4.12Å; M432-I440 HydrophobicContact CE-CD1 3.5Å; M432-I440 VanDerWaalsContact CE-CD1 3.5Å; M432-I440 HydrophobicContact SD-CD1 3.94Å; D436-I440 WeakPolarHBondContact O-CG1 3.46Å; D436-I440 PolarHBondContact O-N 2.88Å; Q437-I440 PolarHBondContact O-N 3.47Å; V438-I440 VanDerWaalsContact C-N 3.35Å; V438-I440 PolarHBondContact O-N 2.85Å; I440-E442 VanDerWaalsContact C-N 3.32Å; I440-E442 PolarHBondContact O-N 2.95Å; I440-A443 PolarHBondContact O-N 3.21Å; I440-M444 HydrophobicContact CG2-CG 3.87Å; I440-M444 HydrophobicContact CG2-SD 3.5Å; I440-M444 VanDerWaalsContact CG2-SD 3.5Å; I440-M444 WeakPolarHBondContact O-CB 3.26Å; I440-M444 VanDerWaalsContact O-CG 3.3Å; I440-M444 WeakPolarHBondContact O-CG 3.25Å; I440-M444 PolarHBondContact O-N 2.88Å; I440-I466 HydrophobicContact CG2-CD1 4.08Å
441	H	87.4	Confident	85.9	Confident	56 Å²	56	54.2 Å²	54.2	26%	0.259	27%	0.273	S	S	.	.	H	α-helix	trans	-62.3	-38.2	179.6	174.8	-110	0	0	0	112.5	Q437 V438 E445 I493 R496	Q437-H441 WeakPolarHBondContact O-CB 3.3Å; Q437-H441 PolarHBondContact O-N 3.37Å; V438-H441 WeakPolarHBondContact O-CB 3.45Å; V438-H441 PolarHBondContact O-N 2.96Å; H441-E445 PolarHBondContact O-N 2.96Å; H441-I493 HydrophobicContact CB-CG1 4.44Å; H441-R496 PolarHBondContact NE2-NE 3.26Å; H441-R496 PolarHBondContact NE2-NH2 3.07Å; H441-R496 VanDerWaalsContact NE2-NH2 3.2Å
442	E	86.9	Confident	85.9	Confident	55 Å²	55	53.4 Å²	53.4	26%	0.257	28%	0.279	S	S	.	.	H	α-helix	trans	-61.2	-50.4	171.3	-174.7	-177.3	158.1	0	0	110.7	V438 I440 M444 E445 Q446 S450	V438-E442 PolarHBondContact O-N 2.68Å; V438-E442 VanDerWaalsContact O-N 3.17Å; I440-E442 VanDerWaalsContact C-N 3.32Å; I440-E442 PolarHBondContact O-N 2.95Å; E442-M444 PolarHBondContact O-N 3.01Å; E442-E445 PolarHBondContact O-N 3.24Å; E442-Q446 PolarHBondContact O-N 3.28Å; E442-S450 PolarHBondContact OE1-N 2.9Å; E442-S450 PolarHBondContact OE1-OG 3Å
443	A	87	Confident	85.8	Confident	7 Å²	7	59.5 Å²	59.5	6%	0.058	31%	0.305	C	S	.	.	H	α-helix	trans	-60.1	-40.6	179.8	0	0	0	0	0	113	L416 A439 I440 Q447 I449	L416-A443 HydrophobicContact CD1-CB 4.24Å; A439-A443 PolarHBondContact O-N 2.75Å; I440-A443 PolarHBondContact O-N 3.21Å; A443-Q447 WeakPolarHBondContact O-CA 3.28Å; A443-Q447 PolarHBondContact O-N 3.12Å; A443-I449 HydrophobicContact CB-CD1 4.01Å; A443-I449 HydrophobicContact CB-CG1 3.79Å
444	M	88.2	Confident	85.6	Confident	6 Å²	6	56.2 Å²	56.2	3%	0.03	30%	0.299	C	S	.	.	H	α-helix	trans	-73.5	-28	-178.4	-72.9	176.4	84.2	0	0	114.3	R354 N358 I440 E442 I466 R496 F497	R354-M444 WeakPolarHBondContact CD-O 3.39Å; R354-M444 PolarHBondContact NH1-O 3.45Å; N358-M444 HydrophobicContact CB-CE 4.25Å; N358-M444 WeakPolarHBondContact ND2-CE 3.36Å; I440-M444 HydrophobicContact CG2-CG 3.87Å; I440-M444 HydrophobicContact CG2-SD 3.5Å; I440-M444 VanDerWaalsContact CG2-SD 3.5Å; I440-M444 WeakPolarHBondContact O-CB 3.26Å; I440-M444 VanDerWaalsContact O-CG 3.3Å; I440-M444 WeakPolarHBondContact O-CG 3.25Å; I440-M444 PolarHBondContact O-N 2.88Å; E442-M444 PolarHBondContact O-N 3.01Å; M444-I466 HydrophobicContact CE-CD1 4.25Å; M444-I466 HydrophobicContact CG-CD1 3.42Å; M444-I466 VanDerWaalsContact CG-CD1 3.42Å; M444-I466 HydrophobicContact SD-CD1 3.81Å; M444-R496 HydrophobicContact CE-CB 3.66Å; M444-R496 HydrophobicContact SD-CB 4.41Å; M444-F497 HydrophobicContact CE-CD1 4.21Å; M444-F497 HydrophobicContact CE-CD2 4.25Å; M444-F497 HydrophobicContact CE-CE1 3.93Å; M444-F497 HydrophobicContact CE-CE2 4Å; M444-F497 HydrophobicContact CE-CG 4.35Å; M444-F497 HydrophobicContact CE-CZ 3.81Å
445	E	83.6	Confident	85.4	Confident	84 Å²	84	54 Å²	54	39%	0.393	31%	0.309	S	S	.	.	H	α-helix	trans	-82.5	-57.3	177.2	169.7	70.1	-61.4	0	0	110.5	H441 E442 R496 R586	H441-E445 PolarHBondContact O-N 2.96Å; E442-E445 PolarHBondContact O-N 3.24Å; E445-R496 IonicContact OE1-CZ 3.98Å; E445-R496 IonicContact OE1-NH1 2.64Å; E445-R496 PolarHBondContact OE1-NH1 3.47Å; E445-R496 IonicContact OE1-NH2 3.26Å; E445-R496 IonicContact OE2-CZ 3.83Å; E445-R496 IonicContact OE2-NH1 3.07Å; E445-R496 PolarHBondContact OE2-NH1 2.64Å; E445-R496 IonicContact OE2-NH2 2.83Å; E445-R496 PolarHBondContact OE2-NH2 3.23Å; E445-R586 IonicContact OE2-NH2 2.87Å
446	Q	84.6	Confident	85.2	Confident	101 Å²	101	47.8 Å²	47.8	47%	0.472	29%	0.285	S	S	.	.	H	α-helix	trans	-90.2	-14.3	-167.6	-61.7	-179.2	-13	0	0	112.4	E442 T448	E442-Q446 PolarHBondContact O-N 3.28Å; Q446-T448 WeakPolarHBondContact CB-OG1 3.31Å; Q446-T448 PolarHBondContact O-N 3.44Å; Q446-T448 VanDerWaalsContact O-N 3.13Å
447	Q	86.4	Confident	85.2	Confident	16 Å²	16	56 Å²	56	8%	0.075	32%	0.32	C	S	.	.	S	Bend	trans	55.2	21.2	-168.6	-51.1	-163.2	-76.3	0	0	113.1	R354 D356 A443 A462 R463	R354-Q447 HydrophobicContact CB-CG 4.26Å; R354-Q447 HydrophobicContact CG-CG 4.27Å; D356-Q447 PolarHBondContact OD2-NE2 3.4Å; A443-Q447 WeakPolarHBondContact O-CA 3.28Å; A443-Q447 PolarHBondContact O-N 3.12Å; Q447-A462 CarbonylContact O-C 3.56Å; Q447-A462 PolarHBondContact O-N 3.19Å; Q447-R463 HydrophobicContact CB-CG 4.27Å
448	T	87.5	Confident	85.1	Confident	39 Å²	39	56.4 Å²	56.4	24%	0.239	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	147	177.7	60.1	0	0	0	0	109.3	Q446 L460	Q446-T448 WeakPolarHBondContact CB-OG1 3.31Å; Q446-T448 PolarHBondContact O-N 3.44Å; Q446-T448 VanDerWaalsContact O-N 3.13Å; T448-L460 CarbonylContact C-O 3.59Å; T448-L460 VanDerWaalsContact CA-O 3.25Å; T448-L460 WeakPolarHBondContact CA-O 3.47Å
449	I	86.6	Confident	85.1	Confident	6 Å²	6	57 Å²	57	3%	0.031	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	120.3	176.2	-61.1	171.8	0	0	0	107	T397 A443 I451 L460 A462	T397-I449 HydrophobicContact CG2-CD1 3.9Å; T397-I449 HydrophobicContact CG2-CG2 4.45Å; A443-I449 HydrophobicContact CB-CD1 4.01Å; A443-I449 HydrophobicContact CB-CG1 3.79Å; I449-I451 HydrophobicContact CG2-CD1 4.46Å; I449-I451 HydrophobicContact CG2-CG1 4.13Å; I449-L460 PolarHBondContact N-O 3.22Å; I449-L460 PolarHBondContact O-N 3.22Å; I449-A462 HydrophobicContact CD1-CB 3.89Å; I449-A462 HydrophobicContact CG1-CB 4.1Å
450	S	86	Confident	85	Confident	63 Å²	63	57.4 Å²	57.4	44%	0.441	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	127.3	176.1	65.4	0	0	0	0	110.8	E442	E442-S450 PolarHBondContact OE1-N 2.9Å; E442-S450 PolarHBondContact OE1-OG 3Å
451	I	84.6	Confident	84.8	Confident	14 Å²	14	61.3 Å²	61.3	7%	0.072	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	119.8	177.1	-58.4	-177.3	0	0	0	109.1	A398 V400 I449 K453 K457 A458 L460	A398-I451 HydrophobicContact CB-CD1 3.29Å; V400-I451 HydrophobicContact CG2-CG2 3.8Å; I449-I451 HydrophobicContact CG2-CD1 4.46Å; I449-I451 HydrophobicContact CG2-CG1 4.13Å; I451-K453 HydrophobicContact CG2-CB 4.3Å; I451-K453 HydrophobicContact CG2-CD 4.46Å; I451-K453 HydrophobicContact CG2-CG 4.26Å; I451-K457 WeakPolarHBondContact O-CA 3.19Å; I451-A458 PolarHBondContact N-O 3.36Å; I451-A458 PolarHBondContact O-N 3.26Å; I451-L460 HydrophobicContact CD1-CD1 3.8Å; I451-L460 HydrophobicContact CG1-CD1 4.46Å
452	T	86.2	Confident	84.7	Confident	105 Å²	105	58.7 Å²	58.7	64%	0.644	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.3	89.3	170.1	48.2	0	0	0	0	109.2	V456 K457	T452-V456 WeakPolarHBondContact CA-O 3.32Å; T452-K457 HydrophobicContact CG2-CB 4.22Å; T452-K457 HydrophobicContact CG2-CD 4.29Å; T452-K457 HydrophobicContact CG2-CG 3.84Å
453	K	84.7	Confident	84.7	Confident	136 Å²	136	60 Å²	60	59%	0.591	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143	143.4	179.4	-69.2	-176.2	-178.9	172.9	0	110.5	V400 I451 G455 V456	V400-K453 HydrophobicContact CB-CB 4.38Å; V400-K453 HydrophobicContact CG2-CB 4.09Å; I451-K453 HydrophobicContact CG2-CB 4.3Å; I451-K453 HydrophobicContact CG2-CD 4.46Å; I451-K453 HydrophobicContact CG2-CG 4.26Å; K453-G455 PolarHBondContact O-N 3.16Å; K453-G455 VanDerWaalsContact O-N 3.09Å; K453-V456 PolarHBondContact N-O 2.9Å; K453-V456 VanDerWaalsContact N-O 3.1Å; K453-V456 WeakPolarHBondContact O-CB 3.42Å; K453-V456 PolarHBondContact O-N 3.32Å
454	A	83	Confident	84.8	Confident	57 Å²	57	60.1 Å²	60.1	47%	0.471	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	35.2	173.7	0	0	0	0	0	115.1	V400 F409 V456	V400-A454 HydrophobicContact CG1-CB 4.18Å; F409-A454 HydrophobicContact CD1-CB 3.68Å; F409-A454 HydrophobicContact CD2-CB 4Å; F409-A454 WeakPolarHBondContact CD2-O 3.34Å; F409-A454 HydrophobicContact CE1-CB 3.69Å; F409-A454 HydrophobicContact CE2-CB 4.02Å; F409-A454 HydrophobicContact CG-CB 3.84Å; F409-A454 HydrophobicContact CZ-CB 3.87Å; A454-V456 PolarHBondContact O-N 3.2Å
455	G	80.3	Confident	85	Confident	87 Å²	87	60 Å²	60	90%	0.897	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	-5.8	-177.8	0	0	0	0	0	115	K453	K453-G455 PolarHBondContact O-N 3.16Å; K453-G455 VanDerWaalsContact O-N 3.09Å
456	V	78.9	Confident	85.5	Confident	35 Å²	35	56.2 Å²	56.2	21%	0.212	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	115.3	174.4	-174.7	0	0	0	0	108.9	V400 F409 I411 T452 K453 A454 A458	V400-V456 HydrophobicContact CG1-CG2 4.27Å; F409-V456 HydrophobicContact CB-CG2 3.78Å; I411-V456 HydrophobicContact CD1-CG1 3.7Å; I411-V456 HydrophobicContact CG1-CG1 3.93Å; T452-V456 WeakPolarHBondContact CA-O 3.32Å; K453-V456 PolarHBondContact N-O 2.9Å; K453-V456 VanDerWaalsContact N-O 3.1Å; K453-V456 WeakPolarHBondContact O-CB 3.42Å; K453-V456 PolarHBondContact O-N 3.32Å; A454-V456 PolarHBondContact O-N 3.2Å; V456-A458 HydrophobicContact CG1-CB 4.36Å
457	K	86.2	Confident	86	Confident	181 Å²	181	51.4 Å²	51.4	79%	0.787	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.6	104.1	169.9	179.6	173.7	-177.3	-176	0	108.3	I451 T452	I451-K457 WeakPolarHBondContact O-CA 3.19Å; T452-K457 HydrophobicContact CG2-CB 4.22Å; T452-K457 HydrophobicContact CG2-CD 4.29Å; T452-K457 HydrophobicContact CG2-CG 3.84Å
458	A	81.4	Confident	86.3	Confident	22 Å²	22	50.6 Å²	50.6	18%	0.182	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	144.1	179.8	0	0	0	0	0	110.9	I411 I451 V456 L460	I411-A458 HydrophobicContact CD1-CB 3.51Å; I451-A458 PolarHBondContact N-O 3.36Å; I451-A458 PolarHBondContact O-N 3.26Å; V456-A458 HydrophobicContact CG1-CB 4.36Å; A458-L460 HydrophobicContact CB-CD2 4.46Å
459	T	84.9	Confident	86.6	Confident	106 Å²	106	48.8 Å²	48.8	65%	0.65	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.7	116.4	171.6	51.3	0	0	0	0	108.1
460	L	83.9	Confident	86.8	Confident	29 Å²	29	48.5 Å²	48.5	15%	0.152	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	133	-172	-59	168	0	0	0	108.8	A398 I411 M417 T448 I449 I451 A458	A398-L460 HydrophobicContact CB-CD1 3.71Å; I411-L460 HydrophobicContact CG2-CD1 3.85Å; M417-L460 HydrophobicContact CE-CB 3.69Å; M417-L460 HydrophobicContact CE-CD1 3.57Å; M417-L460 HydrophobicContact CE-CD2 3.76Å; M417-L460 HydrophobicContact CE-CG 3.82Å; M417-L460 HydrophobicContact SD-CB 3.81Å; M417-L460 HydrophobicContact SD-CD1 3.39Å; M417-L460 WeakPolarHBondContact SD-CD1 3.32Å; M417-L460 HydrophobicContact SD-CG 4.08Å; T448-L460 CarbonylContact C-O 3.59Å; T448-L460 VanDerWaalsContact CA-O 3.25Å; T448-L460 WeakPolarHBondContact CA-O 3.47Å; I449-L460 PolarHBondContact N-O 3.22Å; I449-L460 PolarHBondContact O-N 3.22Å; I451-L460 HydrophobicContact CD1-CD1 3.8Å; I451-L460 HydrophobicContact CG1-CD1 4.46Å; A458-L460 HydrophobicContact CB-CD2 4.46Å
461	N	83.6	Confident	87.1	Confident	82 Å²	82	47.5 Å²	47.5	44%	0.439	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	135.6	179.4	-63.8	-24.9	0	0	0	110.1
462	A	85.1	Confident	87.3	Confident	2 Å²	2	47.1 Å²	47.1	2%	0.017	27%	0.273	C	S	.	.			trans	-133.3	63.8	178.5	0	0	0	0	0	109.5	Q447 I449 T464	Q447-A462 CarbonylContact O-C 3.56Å; Q447-A462 PolarHBondContact O-N 3.19Å; I449-A462 HydrophobicContact CD1-CB 3.89Å; I449-A462 HydrophobicContact CG1-CB 4.1Å; A462-T464 PolarHBondContact O-N 3.06Å
463	R	86.4	Confident	87.4	Confident	81 Å²	81	46.6 Å²	46.6	31%	0.306	27%	0.265	S	S	.	.			trans	-82.6	67.7	-178.2	-62.2	167	-75.1	-167.8	-4.9	109.7	D420 N421 Q447	D420-R463 WeakPolarHBondContact OD1-CA 3.34Å; D420-R463 VanDerWaalsContact OD1-CB 3.28Å; D420-R463 WeakPolarHBondContact OD1-CB 3.4Å; D420-R463 PolarHBondContact OD1-N 3.01Å; D420-R463 IonicContact OD1-NE 2.86Å; D420-R463 PolarHBondContact OD1-NE 2.93Å; D420-R463 IonicContact OD2-CZ 3.87Å; D420-R463 IonicContact OD2-NE 2.97Å; D420-R463 IonicContact OD2-NH2 3.87Å; D420-R463 PolarHBondContact OD2-NH2 3.45Å; N421-R463 WeakPolarHBondContact CA-O 3.31Å; N421-R463 PolarHBondContact N-O 3.18Å; Q447-R463 HydrophobicContact CB-CG 4.27Å
464	T	89.3	Confident	87.4	Confident	10 Å²	10	44 Å²	44	6%	0.061	28%	0.277	C	S	.	.			trans	-117	144.4	-174.3	64	0	0	0	0	111.3	L416 A419 A462	L416-T464 WeakPolarHBondContact O-CG2 3.44Å; A419-T464 HydrophobicContact CB-CG2 3.99Å; A419-T464 WeakPolarHBondContact O-CG2 3.41Å; A462-T464 PolarHBondContact O-N 3.06Å
465	S	91.6	Very high	87.4	Confident	5 Å²	5	42.6 Å²	42.6	4%	0.035	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	132.8	166.4	-60.2	0	0	0	0	108.7	G422 V423 C424	G422-S465 PolarHBondContact O-N 2.99Å; G422-S465 VanDerWaalsContact O-N 3.1Å; V423-S465 CarbonylContact C-O 3.48Å; V423-S465 WeakPolarHBondContact CA-O 3.5Å; C424-S465 PolarHBondContact N-O 3.46Å
466	I	93.8	Very high	87.7	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.015	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	125.1	178.8	-58.3	-176.1	0	0	0	109.6	N358 V359 L416 I426 I440 M444 A468 F497	N358-I466 PolarHBondContact OD1-N 3.45Å; V359-I466 PolarHBondContact N-O 3.38Å; L416-I466 HydrophobicContact CD2-CD1 4.33Å; I426-I466 HydrophobicContact CD1-CG2 4Å; I426-I466 HydrophobicContact CG1-CG2 4.45Å; I440-I466 HydrophobicContact CG2-CD1 4.08Å; M444-I466 HydrophobicContact CE-CD1 4.25Å; M444-I466 HydrophobicContact CG-CD1 3.42Å; M444-I466 VanDerWaalsContact CG-CD1 3.42Å; M444-I466 HydrophobicContact SD-CD1 3.81Å; I466-A468 HydrophobicContact CG2-CB 4.34Å; I466-F497 HydrophobicContact CB-CE1 4.44Å; I466-F497 HydrophobicContact CG2-CE1 4.14Å; I466-F497 HydrophobicContact CG2-CZ 4.34Å
467	L	94.7	Very high	87.9	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	107.7	165.8	-176.6	62.9	0	0	0	108.2	I335 M338 V359 I361 L373 V376 V423 C424 C425 I426	I335-L467 HydrophobicContact CG1-CD1 4.23Å; M338-L467 HydrophobicContact CE-CB 4.04Å; M338-L467 HydrophobicContact CE-CD1 4.44Å; M338-L467 HydrophobicContact CE-CD2 4.22Å; M338-L467 HydrophobicContact CE-CG 4.46Å; M338-L467 HydrophobicContact SD-CB 3.95Å; M338-L467 HydrophobicContact SD-CD1 4.28Å; V359-L467 HydrophobicContact CB-CD1 3.89Å; V359-L467 HydrophobicContact CG1-CD1 3.96Å; V359-L467 WeakPolarHBondContact O-CA 3.48Å; I361-L467 HydrophobicContact CD1-CD1 4.23Å; I361-L467 HydrophobicContact CG1-CD1 4.49Å; L373-L467 HydrophobicContact CD2-CB 4.15Å; L373-L467 HydrophobicContact CD2-CD2 3.77Å; L373-L467 HydrophobicContact CD2-CG 3.67Å; L373-L467 WeakPolarHBondContact CD2-O 3.46Å; L373-L467 HydrophobicContact CG-CD2 4.45Å; V376-L467 HydrophobicContact CB-CD2 4.22Å; V376-L467 HydrophobicContact CG1-CD2 4.38Å; V376-L467 HydrophobicContact CG2-CD2 3.93Å; V423-L467 HydrophobicContact CG1-CB 4.15Å; C424-L467 PolarHBondContact O-N 2.91Å; C425-L467 WeakPolarHBondContact CA-O 3.23Å; I426-L467 PolarHBondContact N-O 3.37Å
468	A	93.5	Very high	87.7	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	136.7	-178	0	0	0	0	0	111.2	V359 C360 I361 I426 F429 I466 F497	V359-A468 PolarHBondContact O-N 2.73Å; C360-A468 CarbonylContact C-O 3.56Å; C360-A468 WeakPolarHBondContact CA-O 3.44Å; I361-A468 PolarHBondContact N-O 3.29Å; I426-A468 CarbonylContact O-C 3.52Å; I426-A468 WeakPolarHBondContact O-CA 3.4Å; F429-A468 HydrophobicContact CB-CB 4.21Å; F429-A468 HydrophobicContact CD1-CB 4.28Å; F429-A468 HydrophobicContact CD2-CB 4.46Å; F429-A468 HydrophobicContact CG-CB 4.08Å; I466-A468 HydrophobicContact CG2-CB 4.34Å; A468-F497 HydrophobicContact CB-CE1 3.98Å; A468-F497 HydrophobicContact CB-CZ 3.76Å
469	A	93.7	Very high	87.6	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.008	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	133.2	165.4	0	0	0	0	0	110.3	I361 K369 L373 I426 E428 F429	I361-A469 CarbonylContact O-C 3.57Å; I361-A469 WeakPolarHBondContact O-CA 3.35Å; K369-A469 HydrophobicContact CB-CB 4.21Å; L373-A469 HydrophobicContact CD1-CB 3.56Å; I426-A469 PolarHBondContact O-N 3.36Å; E428-A469 PolarHBondContact N-O 3.37Å; F429-A469 WeakPolarHBondContact CB-O 3.41Å; F429-A469 PolarHBondContact N-O 2.95Å
470	A	91.8	Very high	87.3	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	150.9	178.5	0	0	0	0	0	111.2	I361 V362 G363 K369 I487	I361-A470 PolarHBondContact O-N 3.39Å; V362-A470 WeakPolarHBondContact CA-O 3.32Å; V362-A470 HydrophobicContact CG2-CB 4.39Å; G363-A470 PolarHBondContact N-O 3.33Å; K369-A470 PolarHBondContact NZ-O 2.81Å; A470-I487 HydrophobicContact CB-CG2 4.44Å
471	N	90.5	Very high	86.9	Confident	42 Å²	42	45.2 Å²	45.2	23%	0.225	26%	0.257	C	S	.	.			trans	-107.1	144.5	174.3	-62.3	-38.4	0	0	0	110.3	K369 D430	K369-N471 PolarHBondContact NZ-OD1 3.34Å; D430-N471 PolarHBondContact OD1-N 2.91Å
472	P	90.6	Very high	86.6	Confident	6 Å²	6	43.2 Å²	43.2	4%	0.039	25%	0.249	C	C	.	.			trans	-68	153.8	175.8	29.4	-35.4	0	0	0	110.8	G363 G474 G475 Y477 N486	G363-P472 WeakPolarHBondContact O-CD 3.46Å; P472-G474 PolarHBondContact O-N 3.28Å; P472-G475 PolarHBondContact O-N 3.41Å; P472-G475 VanDerWaalsContact O-N 3.16Å; P472-Y477 HydrophobicContact CB-CD2 4.23Å; P472-N486 WeakPolarHBondContact CA-O 3.45Å
473	I	87.7	Confident	86.2	Confident	93 Å²	93	43.5 Å²	43.5	48%	0.477	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	125	173.6	-63.7	164.3	0	0	0	108.3	Q485 N486 N488	I473-Q485 WeakPolarHBondContact CD1-O 3.34Å; I473-N486 WeakPolarHBondContact CG1-O 3.2Å; I473-N486 PolarHBondContact N-O 3.38Å; I473-N488 HydrophobicContact CD1-CB 4.2Å; I473-N488 HydrophobicContact CG1-CB 4.44Å
474	G	84.4	Confident	85.9	Confident	82 Å²	82	47.6 Å²	47.6	85%	0.845	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.2	-4.4	-177	0	0	0	0	0	114.8	P472 Q476	P472-G474 PolarHBondContact O-N 3.28Å; G474-Q476 VanDerWaalsContact C-N 3.25Å; G474-Q476 PolarHBondContact O-N 3.5Å
475	G	83.9	Confident	85.5	Confident	28 Å²	28	53 Å²	53	29%	0.289	29%	0.29	S	S	.	.	S	Bend	trans	82.8	-9.9	175.4	0	0	0	0	0	115.1	P365 P472	P365-G475 WeakPolarHBondContact CD-O 3.47Å; P472-G475 PolarHBondContact O-N 3.41Å; P472-G475 VanDerWaalsContact O-N 3.16Å
476	Q	84.8	Confident	85.1	Confident	144 Å²	144	52.9 Å²	52.9	67%	0.673	29%	0.289	S	S	*	.	S	Bend	trans	-124.2	145.4	171.1	-71.5	-179.1	-8.1	0	0	110.2	D364 G474 D478	D364-Q476 VanDerWaalsContact OD1-CA 3.28Å; D364-Q476 WeakPolarHBondContact OD1-CA 3.39Å; G474-Q476 VanDerWaalsContact C-N 3.25Å; G474-Q476 PolarHBondContact O-N 3.5Å; Q476-D478 PolarHBondContact O-N 3.3Å
477	Y	84	Confident	84.7	Confident	13 Å²	13	52.8 Å²	52.8	5%	0.051	29%	0.289	C	S	.	.			trans	-81.1	104.7	178.2	-167.8	-90.4	0	0	0	112.2	V362 D364 P472 R479 L483 N486 I502 I504 V626	V362-Y477 HydrophobicContact CG1-CD2 4.45Å; V362-Y477 HydrophobicContact CG1-CE2 4.49Å; D364-Y477 PolarHBondContact OD1-N 3.11Å; P472-Y477 HydrophobicContact CB-CD2 4.23Å; Y477-R479 PolarHBondContact O-N 3.38Å; Y477-L483 HydrophobicContact CE2-CD1 4.03Å; Y477-L483 WeakPolarHBondContact OH-CD1 3.45Å; Y477-N486 HydrophobicContact CD2-CB 4.45Å; Y477-N486 HydrophobicContact CE2-CB 4.01Å; Y477-I502 HydrophobicContact CD1-CG2 4.12Å; Y477-I502 HydrophobicContact CD2-CG2 3.95Å; Y477-I502 HydrophobicContact CE1-CG2 3.98Å; Y477-I502 HydrophobicContact CE2-CD1 4.48Å; Y477-I502 HydrophobicContact CE2-CG2 3.8Å; Y477-I502 HydrophobicContact CG-CG2 4.11Å; Y477-I504 HydrophobicContact CD1-CD1 4.28Å; Y477-I504 HydrophobicContact CD1-CG1 4.27Å; Y477-V626 HydrophobicContact CE1-CG2 3.9Å; Y477-V626 WeakPolarHBondContact OH-CG2 3.07Å
478	D	82	Confident	84.2	Confident	63 Å²	63	58 Å²	58	34%	0.337	32%	0.317	S	S	.	.			trans	-75.4	110.5	176.8	-73.8	-20.6	0	0	0	111.8	Q476 A480 K481 N486	Q476-D478 PolarHBondContact O-N 3.3Å; D478-A480 PolarHBondContact O-N 3.36Å; D478-K481 HydrophobicContact CB-CB 4.35Å; D478-K481 HydrophobicContact CB-CD 4.08Å; D478-K481 HydrophobicContact CB-CG 4.34Å; D478-K481 PolarHBondContact O-N 3.35Å; D478-K481 WeakPolarHBondContact OD2-CE 3.35Å; D478-K481 IonicContact OD2-NZ 3.36Å; D478-K481 PolarHBondContact OD2-NZ 3.45Å; D478-N486 PolarHBondContact O-ND2 3.43Å
479	R	79.4	Confident	83.6	Confident	107 Å²	107	58.6 Å²	58.6	40%	0.404	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-21.9	177.8	-59.4	-177	-169.1	-167.6	1.3	114.2	Y477 K481 E506 V626	Y477-R479 PolarHBondContact O-N 3.38Å; R479-K481 VanDerWaalsContact C-N 3.32Å; R479-E506 IonicContact CZ-OE1 3Å; R479-E506 IonicContact NH1-OE1 3.61Å; R479-E506 PolarHBondContact NH1-OE1 2.99Å; R479-E506 IonicContact NH2-OE1 3.97Å; R479-E506 PolarHBondContact NH2-OE1 2.89Å; R479-V626 HydrophobicContact CB-CG1 4.25Å; R479-V626 WeakPolarHBondContact O-CG1 2.98Å
480	A	78	Confident	83.1	Confident	91 Å²	91	60.8 Å²	60.8	75%	0.752	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-22.3	-179.6	0	0	0	0	0	113	D478	D478-A480 PolarHBondContact O-N 3.36Å
481	K	77.2	Confident	82.6	Confident	97 Å²	97	62.9 Å²	62.9	42%	0.422	35%	0.353	S	S	.	.	S	Bend	trans	-97.7	152.2	-176.7	-70.9	173.6	-172.6	155.4	0	110.6	D478 R479 Q485 N486	D478-K481 HydrophobicContact CB-CB 4.35Å; D478-K481 HydrophobicContact CB-CD 4.08Å; D478-K481 HydrophobicContact CB-CG 4.34Å; D478-K481 PolarHBondContact O-N 3.35Å; D478-K481 WeakPolarHBondContact OD2-CE 3.35Å; D478-K481 IonicContact OD2-NZ 3.36Å; D478-K481 PolarHBondContact OD2-NZ 3.45Å; R479-K481 VanDerWaalsContact C-N 3.32Å; K481-Q485 HydrophobicContact CB-CB 4.29Å; K481-N486 VanDerWaalsContact CB-OD1 3.25Å; K481-N486 WeakPolarHBondContact CB-OD1 3.28Å; K481-N486 PolarHBondContact O-ND2 3.09Å
482	S	75.9	Confident	82.3	Confident	39 Å²	39	64 Å²	64	27%	0.273	36%	0.362	S	S	.	.			trans	-66.5	152.1	173.2	62.2	0	0	0	0	111.2	R484 Q485 N486	S482-R484 PolarHBondContact O-N 3.22Å; S482-R484 VanDerWaalsContact O-N 3.16Å; S482-Q485 CarbonylContact O-C 3.53Å; S482-Q485 WeakPolarHBondContact O-CA 3.14Å; S482-Q485 WeakPolarHBondContact O-CB 3.27Å; S482-Q485 PolarHBondContact O-N 3.18Å; S482-Q485 VanDerWaalsContact OG-CG 3.31Å; S482-Q485 WeakPolarHBondContact OG-CG 3.42Å; S482-Q485 PolarHBondContact OG-OE1 3.13Å; S482-N486 PolarHBondContact O-N 3.35Å
483	L	77	Confident	82.1	Confident	9 Å²	9	63.7 Å²	63.7	5%	0.047	36%	0.36	C	S	.	.	H	α-helix	trans	-52.9	-39.4	177.3	-175	70	0	0	0	112.1	Y477 Q485 N486 I487 I502	Y477-L483 HydrophobicContact CE2-CD1 4.03Å; Y477-L483 WeakPolarHBondContact OH-CD1 3.45Å; L483-Q485 VanDerWaalsContact C-N 3.28Å; L483-Q485 PolarHBondContact O-N 3.38Å; L483-N486 PolarHBondContact O-N 3.13Å; L483-I487 HydrophobicContact CD1-CD1 3.49Å; L483-I487 VanDerWaalsContact CD1-CD1 3.49Å; L483-I487 HydrophobicContact CD1-CG1 4.2Å; L483-I487 HydrophobicContact CG-CD1 3.85Å; L483-I487 WeakPolarHBondContact O-CG1 3.33Å; L483-I487 PolarHBondContact O-N 3.22Å; L483-I487 VanDerWaalsContact O-N 3.09Å; L483-I502 HydrophobicContact CD1-CD1 3.85Å; L483-I502 HydrophobicContact CD1-CG1 4.17Å
484	R	79.3	Confident	82	Confident	166 Å²	166	59.8 Å²	59.8	63%	0.626	34%	0.34	S	S	*	.	H	α-helix	trans	-63.1	-32.1	176.3	-177.5	178.6	173.2	-176.4	-2.5	113.1	S482 I487	S482-R484 PolarHBondContact O-N 3.22Å; S482-R484 VanDerWaalsContact O-N 3.16Å; R484-I487 VanDerWaalsContact O-O 3.06Å
485	Q	81.7	Confident	81.9	Confident	124 Å²	124	56.6 Å²	56.6	58%	0.579	31%	0.305	S	S	*	.	H	α-helix	trans	-84.6	-24.5	176.3	-71.7	165.4	-21	0	0	112.1	I473 K481 S482 L483	I473-Q485 WeakPolarHBondContact CD1-O 3.34Å; K481-Q485 HydrophobicContact CB-CB 4.29Å; S482-Q485 CarbonylContact O-C 3.53Å; S482-Q485 WeakPolarHBondContact O-CA 3.14Å; S482-Q485 WeakPolarHBondContact O-CB 3.27Å; S482-Q485 PolarHBondContact O-N 3.18Å; S482-Q485 VanDerWaalsContact OG-CG 3.31Å; S482-Q485 WeakPolarHBondContact OG-CG 3.42Å; S482-Q485 PolarHBondContact OG-OE1 3.13Å; L483-Q485 VanDerWaalsContact C-N 3.28Å; L483-Q485 PolarHBondContact O-N 3.38Å
486	N	84	Confident	82.1	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.011	29%	0.294	C	S	.	.	H	α-helix	trans	-78.9	-20.8	176.7	-77.3	-20.2	0	0	0	113.4	P472 I473 Y477 D478 K481 S482 L483	P472-N486 WeakPolarHBondContact CA-O 3.45Å; I473-N486 WeakPolarHBondContact CG1-O 3.2Å; I473-N486 PolarHBondContact N-O 3.38Å; Y477-N486 HydrophobicContact CD2-CB 4.45Å; Y477-N486 HydrophobicContact CE2-CB 4.01Å; D478-N486 PolarHBondContact O-ND2 3.43Å; K481-N486 VanDerWaalsContact CB-OD1 3.25Å; K481-N486 WeakPolarHBondContact CB-OD1 3.28Å; K481-N486 PolarHBondContact O-ND2 3.09Å; S482-N486 PolarHBondContact O-N 3.35Å; L483-N486 PolarHBondContact O-N 3.13Å
487	I	83.8	Confident	82.3	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.01	26%	0.262	C	S	.	.	S	Bend	trans	-127.4	133.5	-175.9	-43.9	171.7	0	0	0	110.6	V362 A470 L483 R484 L489	V362-I487 HydrophobicContact CB-CD1 4.24Å; V362-I487 HydrophobicContact CG1-CD1 3.76Å; V362-I487 HydrophobicContact CG1-CG1 4.08Å; V362-I487 HydrophobicContact CG2-CD1 3.51Å; A470-I487 HydrophobicContact CB-CG2 4.44Å; L483-I487 HydrophobicContact CD1-CD1 3.49Å; L483-I487 VanDerWaalsContact CD1-CD1 3.49Å; L483-I487 HydrophobicContact CD1-CG1 4.2Å; L483-I487 HydrophobicContact CG-CD1 3.85Å; L483-I487 WeakPolarHBondContact O-CG1 3.33Å; L483-I487 PolarHBondContact O-N 3.22Å; L483-I487 VanDerWaalsContact O-N 3.09Å; R484-I487 VanDerWaalsContact O-O 3.06Å; I487-L489 HydrophobicContact CG2-CB 4.32Å; I487-L489 HydrophobicContact CG2-CD1 3.75Å; I487-L489 HydrophobicContact CG2-CG 3.64Å; I487-L489 PolarHBondContact O-N 3.09Å
488	N	84.4	Confident	82.5	Confident	109 Å²	109	48.7 Å²	48.7	58%	0.583	26%	0.26	S	S	*	.			trans	-79.1	56.9	176.1	-170.3	33.9	0	0	0	112.6	I473	I473-N488 HydrophobicContact CD1-CB 4.2Å; I473-N488 HydrophobicContact CG1-CB 4.44Å
489	L	82.7	Confident	82.8	Confident	13 Å²	13	45.7 Å²	45.7	7%	0.068	24%	0.244	C	C	.	.			trans	-119.1	147.9	178	-67.2	177.5	0	0	0	112.1	F429 I487 L494	F429-L489 HydrophobicContact CD1-CD1 3.84Å; F429-L489 HydrophobicContact CD1-CD2 3.47Å; F429-L489 VanDerWaalsContact CD1-CD2 3.47Å; F429-L489 HydrophobicContact CD1-CG 4.3Å; F429-L489 HydrophobicContact CE1-CD1 3.92Å; F429-L489 HydrophobicContact CE1-CD2 3.43Å; F429-L489 VanDerWaalsContact CE1-CD2 3.43Å; F429-L489 HydrophobicContact CE1-CG 4.32Å; F429-L489 HydrophobicContact CZ-CD2 4.45Å; I487-L489 HydrophobicContact CG2-CB 4.32Å; I487-L489 HydrophobicContact CG2-CD1 3.75Å; I487-L489 HydrophobicContact CG2-CG 3.64Å; I487-L489 PolarHBondContact O-N 3.09Å; L489-L494 HydrophobicContact CB-CD2 4.18Å; L489-L494 HydrophobicContact CB-CG 4.19Å; L489-L494 HydrophobicContact CD1-CD2 4.09Å
490	S	83.1	Confident	83.3	Confident	46 Å²	46	41 Å²	41	32%	0.322	23%	0.226	S	C	.	.			trans	-70.2	143	175.1	70.2	0	0	0	0	111.5	I493 L494	S490-I493 PolarHBondContact O-N 3.08Å; S490-I493 VanDerWaalsContact O-N 3.08Å; S490-I493 WeakPolarHBondContact OG-CD1 3.26Å; S490-I493 WeakPolarHBondContact OG-CG1 3.42Å; S490-L494 PolarHBondContact O-N 2.84Å; S490-L494 VanDerWaalsContact O-N 3.14Å
491	A	80.7	Confident	83.8	Confident	45 Å²	45	37.1 Å²	37.1	37%	0.372	19%	0.193	S	C	.	.	H	α-helix	trans	-56.8	-35	175.7	0	0	0	0	0	112.2	I493 L494 S495	A491-I493 PolarHBondContact O-N 3.19Å; A491-L494 PolarHBondContact O-N 3.4Å; A491-S495 PolarHBondContact O-N 3.36Å
492	P	84.1	Confident	84.3	Confident	64 Å²	64	33.6 Å²	33.6	42%	0.416	18%	0.178	S	C	.	.	H	α-helix	trans	-17	-75.9	153.7	45.4	-30.6	0	0	0	116.4	R496	P492-R496 WeakPolarHBondContact O-CG 3.31Å
493	I	86.6	Confident	84.8	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-76.6	-39.9	-168.5	-67.9	171.4	0	0	0	110.2	F429 Q437 H441 S490 A491 S495 R496 F497	F429-I493 HydrophobicContact CE1-CG2 3.71Å; F429-I493 HydrophobicContact CZ-CD1 4.39Å; F429-I493 HydrophobicContact CZ-CG2 3.85Å; Q437-I493 HydrophobicContact CB-CD1 3.8Å; Q437-I493 HydrophobicContact CG-CD1 4.13Å; H441-I493 HydrophobicContact CB-CG1 4.44Å; S490-I493 PolarHBondContact O-N 3.08Å; S490-I493 VanDerWaalsContact O-N 3.08Å; S490-I493 WeakPolarHBondContact OG-CD1 3.26Å; S490-I493 WeakPolarHBondContact OG-CG1 3.42Å; A491-I493 PolarHBondContact O-N 3.19Å; I493-S495 PolarHBondContact O-N 2.86Å; I493-R496 WeakPolarHBondContact O-CB 3.42Å; I493-R496 PolarHBondContact O-N 3.35Å; I493-F497 HydrophobicContact CG2-CD2 3.94Å; I493-F497 HydrophobicContact CG2-CE2 3.42Å; I493-F497 VanDerWaalsContact CG2-CE2 3.42Å; I493-F497 HydrophobicContact CG2-CZ 4.48Å; I493-F497 WeakPolarHBondContact O-CD2 3.33Å; I493-F497 PolarHBondContact O-N 3.14Å
494	L	84.2	Confident	85.2	Confident	11 Å²	11	34.1 Å²	34.1	6%	0.058	18%	0.178	C	C	.	.	H	α-helix	trans	-55.7	-38.1	177	-72	175.1	0	0	0	111.6	L489 S490 A491 R496 F500	L489-L494 HydrophobicContact CB-CD2 4.18Å; L489-L494 HydrophobicContact CB-CG 4.19Å; L489-L494 HydrophobicContact CD1-CD2 4.09Å; S490-L494 PolarHBondContact O-N 2.84Å; S490-L494 VanDerWaalsContact O-N 3.14Å; A491-L494 PolarHBondContact O-N 3.4Å; L494-R496 VanDerWaalsContact C-N 3.28Å; L494-R496 PolarHBondContact O-N 2.9Å; L494-F500 HydrophobicContact CB-CZ 4.39Å; L494-F500 HydrophobicContact CD2-CE1 3.77Å; L494-F500 HydrophobicContact CD2-CZ 3.75Å; L494-F500 WeakPolarHBondContact O-CE2 3.41Å; L494-F500 VanDerWaalsContact O-CZ 3.27Å; L494-F500 WeakPolarHBondContact O-CZ 3.29Å
495	S	82.9	Confident	85.6	Confident	15 Å²	15	30.9 Å²	30.9	11%	0.105	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-12.9	177.6	-177.2	0	0	0	0	115.1	A491 I493 R586	A491-S495 PolarHBondContact O-N 3.36Å; I493-S495 PolarHBondContact O-N 2.86Å; S495-R586 WeakPolarHBondContact OG-CD 3.46Å; S495-R586 PolarHBondContact OG-NH1 3.48Å
496	R	87.7	Confident	85.7	Confident	17 Å²	17	30.5 Å²	30.5	6%	0.064	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-21.8	-175.4	-62.8	-62	-177.2	-179.3	1.2	114.7	R354 H441 M444 E445 P492 I493 L494 R586	R354-R496 PolarHBondContact NH1-O 3.19Å; H441-R496 PolarHBondContact NE2-NE 3.26Å; H441-R496 PolarHBondContact NE2-NH2 3.07Å; H441-R496 VanDerWaalsContact NE2-NH2 3.2Å; M444-R496 HydrophobicContact CE-CB 3.66Å; M444-R496 HydrophobicContact SD-CB 4.41Å; E445-R496 IonicContact OE1-CZ 3.98Å; E445-R496 IonicContact OE1-NH1 2.64Å; E445-R496 PolarHBondContact OE1-NH1 3.47Å; E445-R496 IonicContact OE1-NH2 3.26Å; E445-R496 IonicContact OE2-CZ 3.83Å; E445-R496 IonicContact OE2-NH1 3.07Å; E445-R496 PolarHBondContact OE2-NH1 2.64Å; E445-R496 IonicContact OE2-NH2 2.83Å; E445-R496 PolarHBondContact OE2-NH2 3.23Å; P492-R496 WeakPolarHBondContact O-CG 3.31Å; I493-R496 WeakPolarHBondContact O-CB 3.42Å; I493-R496 PolarHBondContact O-N 3.35Å; L494-R496 VanDerWaalsContact C-N 3.28Å; L494-R496 PolarHBondContact O-N 2.9Å; R496-R586 VanDerWaalsContact NH2-NH2 3.12Å
497	F	88.9	Confident	85.5	Confident	0 Å²	0	34 Å²	34	0%	0	21%	0.207	C	C	.	.			trans	-77.4	130.6	171.4	-73.9	-73.7	0	0	0	108.2	N358 C360 F429 M444 I466 A468 I493 F500	N358-F497 HydrophobicContact CB-CD1 3.64Å; N358-F497 HydrophobicContact CB-CE1 4.09Å; N358-F497 HydrophobicContact CB-CG 4.49Å; C360-F497 HydrophobicContact CB-CB 4.41Å; C360-F497 HydrophobicContact CB-CD1 3.79Å; C360-F497 HydrophobicContact CB-CD2 4.22Å; C360-F497 HydrophobicContact CB-CE1 4.07Å; C360-F497 HydrophobicContact CB-CE2 4.43Å; C360-F497 HydrophobicContact CB-CG 3.9Å; C360-F497 HydrophobicContact CB-CZ 4.39Å; F429-F497 AromaticContact CE1-CE2 3.95Å; F429-F497 HydrophobicContact CE1-CE2 3.95Å; F429-F497 HydrophobicContact CE1-CZ 4.21Å; F429-F497 HydrophobicContact CZ-CE2 4.36Å; F429-F497 HydrophobicContact CZ-CZ 4.38Å; M444-F497 HydrophobicContact CE-CD1 4.21Å; M444-F497 HydrophobicContact CE-CD2 4.25Å; M444-F497 HydrophobicContact CE-CE1 3.93Å; M444-F497 HydrophobicContact CE-CE2 4Å; M444-F497 HydrophobicContact CE-CG 4.35Å; M444-F497 HydrophobicContact CE-CZ 3.81Å; I466-F497 HydrophobicContact CB-CE1 4.44Å; I466-F497 HydrophobicContact CG2-CE1 4.14Å; I466-F497 HydrophobicContact CG2-CZ 4.34Å; A468-F497 HydrophobicContact CB-CE1 3.98Å; A468-F497 HydrophobicContact CB-CZ 3.76Å; I493-F497 HydrophobicContact CG2-CD2 3.94Å; I493-F497 HydrophobicContact CG2-CE2 3.42Å; I493-F497 VanDerWaalsContact CG2-CE2 3.42Å; I493-F497 HydrophobicContact CG2-CZ 4.48Å; I493-F497 WeakPolarHBondContact O-CD2 3.33Å; I493-F497 PolarHBondContact O-N 3.14Å; F497-F500 HydrophobicContact CB-CD2 4.31Å; F497-F500 HydrophobicContact CB-CE1 4.08Å; F497-F500 HydrophobicContact CB-CE2 3.5Å; F497-F500 HydrophobicContact CB-CZ 3.37Å; F497-F500 HydrophobicContact CD2-CE1 4.24Å; F497-F500 AromaticContact CD2-CZ 3.89Å; F497-F500 HydrophobicContact CD2-CZ 3.89Å; F497-F500 HydrophobicContact CG-CE1 4.37Å; F497-F500 AromaticContact CG-CZ 3.97Å; F497-F500 HydrophobicContact CG-CZ 3.97Å
498	D	88.7	Confident	85.6	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.011	23%	0.225	C	C	.	.	S	Bend	trans	-85	-30.3	-177.5	-57.2	-69.3	0	0	0	110.5	R354 I357 N358 S590 R593	R354-D498 IonicContact CZ-OD2 3.74Å; R354-D498 IonicContact NH2-OD2 3.54Å; R354-D498 PolarHBondContact NH2-OD2 3.26Å; I357-D498 WeakPolarHBondContact CA-OD2 3.14Å; I357-D498 HydrophobicContact CG2-CB 4.02Å; N358-D498 PolarHBondContact N-OD2 3.43Å; N358-D498 PolarHBondContact O-N 2.99Å; D498-S590 VanDerWaalsContact OD1-CB 3.26Å; D498-S590 WeakPolarHBondContact OD1-CB 3.43Å; D498-S590 PolarHBondContact OD1-OG 2.82Å; D498-R593 IonicContact OD1-NH1 2.83Å; D498-R593 PolarHBondContact OD1-NH1 3.03Å
499	L	89.6	Confident	85.8	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	131.3	178.5	-66.6	174.2	0	0	0	111.1	N358 V359 C360 F501 L594 L618 L619	N358-L499 PolarHBondContact O-N 2.9Å; V359-L499 HydrophobicContact CG1-CB 4.46Å; V359-L499 HydrophobicContact CG2-CB 4.31Å; V359-L499 HydrophobicContact CG2-CD1 4.27Å; C360-L499 PolarHBondContact N-O 3.41Å; L499-F501 HydrophobicContact CB-CE2 4.02Å; L499-F501 HydrophobicContact CB-CZ 4.21Å; L499-F501 HydrophobicContact CD1-CE2 4.17Å; L499-F501 HydrophobicContact CD1-CZ 4.01Å; L499-L594 HydrophobicContact CD1-CD2 3.85Å; L499-L594 HydrophobicContact CD2-CD1 3.89Å; L499-L594 HydrophobicContact CG-CD1 4.31Å; L499-L594 HydrophobicContact CG-CD2 4.27Å; L499-L618 HydrophobicContact CD1-CD2 3.77Å; L499-L618 HydrophobicContact CD2-CD2 4.09Å; L499-L618 HydrophobicContact CD2-CG 4.36Å; L499-L619 HydrophobicContact CD2-CD1 4.32Å
500	F	88.4	Confident	86.2	Confident	7 Å²	7	44.6 Å²	44.6	3%	0.031	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126.6	169.5	-75.5	-84.6	0	0	0	110.2	C360 L494 F497 W581 S622	C360-F500 HydrophobicContact CB-CD1 3.73Å; C360-F500 HydrophobicContact CB-CE1 3.67Å; C360-F500 WeakPolarHBondContact O-CA 3.41Å; L494-F500 HydrophobicContact CB-CZ 4.39Å; L494-F500 HydrophobicContact CD2-CE1 3.77Å; L494-F500 HydrophobicContact CD2-CZ 3.75Å; L494-F500 WeakPolarHBondContact O-CE2 3.41Å; L494-F500 VanDerWaalsContact O-CZ 3.27Å; L494-F500 WeakPolarHBondContact O-CZ 3.29Å; F497-F500 HydrophobicContact CB-CD2 4.31Å; F497-F500 HydrophobicContact CB-CE1 4.08Å; F497-F500 HydrophobicContact CB-CE2 3.5Å; F497-F500 HydrophobicContact CB-CZ 3.37Å; F497-F500 HydrophobicContact CD2-CE1 4.24Å; F497-F500 AromaticContact CD2-CZ 3.89Å; F497-F500 HydrophobicContact CD2-CZ 3.89Å; F497-F500 HydrophobicContact CG-CE1 4.37Å; F497-F500 AromaticContact CG-CZ 3.97Å; F497-F500 HydrophobicContact CG-CZ 3.97Å; F500-W581 HydrophobicContact CD2-CH2 4.23Å; F500-W581 HydrophobicContact CD2-CZ3 4.41Å; F500-W581 HydrophobicContact CE2-CH2 4.14Å; F500-W581 HydrophobicContact CE2-CZ2 4.27Å; F500-S622 CarbonylContact O-C 3.53Å; F500-S622 VanDerWaalsContact O-CA 3.28Å; F500-S622 WeakPolarHBondContact O-CA 3.38Å; F500-S622 WeakPolarHBondContact O-CB 3.38Å; F500-S622 VanDerWaalsContact O-O 3.08Å
501	F	89.3	Confident	86.3	Confident	10 Å²	10	44.6 Å²	44.6	4%	0.044	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	115.8	174.6	-64.5	-62.7	0	0	0	109.6	E330 I331 V359 C360 I361 V362 L499	E330-F501 HydrophobicContact CB-CE1 4.43Å; E330-F501 WeakPolarHBondContact O-CZ 3.46Å; I331-F501 HydrophobicContact CB-CD2 4.29Å; I331-F501 HydrophobicContact CB-CG 4.29Å; I331-F501 HydrophobicContact CD1-CB 3.75Å; I331-F501 HydrophobicContact CD1-CG 4.3Å; I331-F501 HydrophobicContact CG1-CB 3.71Å; I331-F501 HydrophobicContact CG1-CD1 3.95Å; I331-F501 HydrophobicContact CG1-CD2 4.2Å; I331-F501 HydrophobicContact CG1-CG 3.7Å; I331-F501 HydrophobicContact CG2-CD2 4Å; I331-F501 HydrophobicContact CG2-CG 4.34Å; V359-F501 HydrophobicContact CG1-CD2 3.71Å; V359-F501 HydrophobicContact CG1-CE2 3.7Å; C360-F501 PolarHBondContact O-N 3.35Å; I361-F501 WeakPolarHBondContact CA-O 3.45Å; V362-F501 PolarHBondContact N-O 3.21Å; L499-F501 HydrophobicContact CB-CE2 4.02Å; L499-F501 HydrophobicContact CB-CZ 4.21Å; L499-F501 HydrophobicContact CD1-CE2 4.17Å; L499-F501 HydrophobicContact CD1-CZ 4.01Å
502	I	87.3	Confident	86.7	Confident	23 Å²	23	46 Å²	46	12%	0.118	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	119.5	174.9	-54.7	162.6	0	0	0	107.5	V362 Y477 L483 I504 V626	V362-I502 CarbonylContact O-C 3.56Å; V362-I502 WeakPolarHBondContact O-CA 3.28Å; Y477-I502 HydrophobicContact CD1-CG2 4.12Å; Y477-I502 HydrophobicContact CD2-CG2 3.95Å; Y477-I502 HydrophobicContact CE1-CG2 3.98Å; Y477-I502 HydrophobicContact CE2-CD1 4.48Å; Y477-I502 HydrophobicContact CE2-CG2 3.8Å; Y477-I502 HydrophobicContact CG-CG2 4.11Å; L483-I502 HydrophobicContact CD1-CD1 3.85Å; L483-I502 HydrophobicContact CD1-CG1 4.17Å; I502-I504 HydrophobicContact CG2-CG1 4.05Å; I502-V626 HydrophobicContact CD1-CG2 4.15Å
503	I	87.1	Confident	87.1	Confident	11 Å²	11	50.9 Å²	50.9	6%	0.056	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	120.9	172.9	-54.5	168.3	0	0	0	106.9	I331 I361 V362 G363 D364 T367 K369	I331-I503 HydrophobicContact CD1-CD1 3.56Å; I331-I503 HydrophobicContact CD1-CG1 3.42Å; I331-I503 VanDerWaalsContact CD1-CG1 3.42Å; I361-I503 HydrophobicContact CG2-CD1 3.53Å; I361-I503 HydrophobicContact CG2-CG1 4.21Å; V362-I503 PolarHBondContact O-N 3.41Å; G363-I503 WeakPolarHBondContact CA-O 3.48Å; D364-I503 PolarHBondContact N-O 2.67Å; T367-I503 HydrophobicContact CG2-CG2 3.95Å; K369-I503 HydrophobicContact CG-CD1 4.16Å
504	I	85.8	Confident	87.1	Confident	49 Å²	49	51.7 Å²	51.7	25%	0.251	28%	0.279	S	S	.	.			trans	-107.8	131.5	174.7	-53.1	172.9	0	0	0	106.5	Y477 I502 E506	Y477-I504 HydrophobicContact CD1-CD1 4.28Å; Y477-I504 HydrophobicContact CD1-CG1 4.27Å; I502-I504 HydrophobicContact CG2-CG1 4.05Å; I504-E506 HydrophobicContact CG2-CG 4.34Å; I504-E506 PolarHBondContact O-N 2.97Å
505	D	86	Confident	87.3	Confident	98 Å²	98	54.6 Å²	54.6	52%	0.524	29%	0.294	S	S	.	.			trans	-82.8	94.6	174.2	-166.6	20.4	0	0	0	109.2	D364 T367	D364-D505 HydrophobicContact CB-CB 3.97Å; D364-D505 PolarHBondContact OD2-N 3.04Å; T367-D505 HydrophobicContact CG2-CB 4.04Å
506	E	83.8	Confident	87.6	Confident	116 Å²	116	56.2 Å²	56.2	54%	0.542	31%	0.308	S	S	.	.			trans	-94	117.6	168.7	-66.3	-177.2	167.9	0	0	107.7	R479 I504 N508	R479-E506 IonicContact CZ-OE1 3Å; R479-E506 IonicContact NH1-OE1 3.61Å; R479-E506 PolarHBondContact NH1-OE1 2.99Å; R479-E506 IonicContact NH2-OE1 3.97Å; R479-E506 PolarHBondContact NH2-OE1 2.89Å; I504-E506 HydrophobicContact CG2-CG 4.34Å; I504-E506 PolarHBondContact O-N 2.97Å; E506-N508 VanDerWaalsContact C-N 3.27Å; E506-N508 PolarHBondContact O-N 3.11Å
507	G	80.9	Confident	87.6	Confident	74 Å²	74	60.1 Å²	60.1	76%	0.763	33%	0.328	S	S	*	.			trans	-67.2	81.6	-179.9	0	0	0	0	0	112.2
508	N	85.4	Confident	87.3	Confident	74 Å²	74	63.2 Å²	63.2	40%	0.396	34%	0.339	S	S	.	.			trans	-104.9	120.5	179.7	-178.5	-8.2	0	0	0	109.9	E506 V510 T511 D512	E506-N508 VanDerWaalsContact C-N 3.27Å; E506-N508 PolarHBondContact O-N 3.11Å; N508-V510 PolarHBondContact O-N 2.92Å; N508-V510 PolarHBondContact OD1-N 2.83Å; N508-V510 VanDerWaalsContact OD1-N 3.13Å; N508-T511 WeakPolarHBondContact CB-OG1 3.3Å; N508-T511 PolarHBondContact O-N 3.4Å; N508-T511 PolarHBondContact O-OG1 2.95Å; N508-D512 WeakPolarHBondContact O-CB 3.47Å; N508-D512 VanDerWaalsContact O-CG 3.22Å; N508-D512 PolarHBondContact O-N 3.22Å
509	E	89.3	Confident	87.1	Confident	170 Å²	170	67.2 Å²	67.2	79%	0.794	36%	0.359	S	S	*	.	H	α-helix	trans	-59.2	-34	-176.3	-61.4	-173.6	170.7	0	0	112.8	Y513	E509-Y513 VanDerWaalsContact O-CB 3.29Å; E509-Y513 WeakPolarHBondContact O-CB 3.36Å; E509-Y513 PolarHBondContact O-N 3.34Å
510	V	90.3	Very high	87	Confident	103 Å²	103	70.6 Å²	70.6	62%	0.624	38%	0.38	S	S	*	.	H	α-helix	trans	-69.3	-45.5	-178.3	-179.1	0	0	0	0	111	N508 D512 Y513 A514	N508-V510 PolarHBondContact O-N 2.92Å; N508-V510 PolarHBondContact OD1-N 2.83Å; N508-V510 VanDerWaalsContact OD1-N 3.13Å; V510-D512 VanDerWaalsContact C-N 3.35Å; V510-Y513 PolarHBondContact O-N 3.29Å; V510-A514 PolarHBondContact O-N 3Å; V510-A514 VanDerWaalsContact O-N 3.09Å
511	T	85.9	Confident	86.9	Confident	46 Å²	46	72.2 Å²	72.2	28%	0.282	39%	0.389	S	S	.	.	H	α-helix	trans	-68.5	-39.2	178.2	51.7	0	0	0	0	110.9	N508 A514 I515	N508-T511 WeakPolarHBondContact CB-OG1 3.3Å; N508-T511 PolarHBondContact O-N 3.4Å; N508-T511 PolarHBondContact O-OG1 2.95Å; T511-A514 PolarHBondContact O-N 2.88Å; T511-I515 WeakPolarHBondContact O-CB 3.35Å; T511-I515 WeakPolarHBondContact O-CD1 3.46Å; T511-I515 WeakPolarHBondContact O-CG1 3.35Å; T511-I515 PolarHBondContact O-N 3.49Å
512	D	88.2	Confident	86.5	Confident	76 Å²	76	73.4 Å²	73.4	41%	0.406	40%	0.396	S	S	.	.	H	α-helix	trans	-65.4	-40.4	178.5	-70.4	-6.9	0	0	0	111.4	N508 V510 I515 A516	N508-D512 WeakPolarHBondContact O-CB 3.47Å; N508-D512 VanDerWaalsContact O-CG 3.22Å; N508-D512 PolarHBondContact O-N 3.22Å; V510-D512 VanDerWaalsContact C-N 3.35Å; D512-I515 PolarHBondContact O-N 2.92Å; D512-A516 VanDerWaalsContact O-CB 3.25Å; D512-A516 WeakPolarHBondContact O-CB 3.22Å; D512-A516 PolarHBondContact O-N 2.71Å
513	Y	92.1	Very high	86.4	Confident	166 Å²	166	79.7 Å²	79.7	65%	0.651	43%	0.425	S	S	*	.	H	α-helix	trans	-61	-46.2	172.9	-175.6	-93.8	0	0	0	111.7	E509 V510 I515 A516 Q517	E509-Y513 VanDerWaalsContact O-CB 3.29Å; E509-Y513 WeakPolarHBondContact O-CB 3.36Å; E509-Y513 PolarHBondContact O-N 3.34Å; V510-Y513 PolarHBondContact O-N 3.29Å; Y513-I515 PolarHBondContact O-N 2.87Å; Y513-A516 PolarHBondContact O-N 2.88Å; Y513-Q517 WeakPolarHBondContact O-CB 3.24Å; Y513-Q517 PolarHBondContact O-N 3.32Å
514	A	88.1	Confident	86.1	Confident	18 Å²	18	86.7 Å²	86.7	15%	0.149	46%	0.459	C	S	.	.	H	α-helix	trans	-64.2	-39.6	178.3	0	0	0	0	0	112.3	Y326 V510 T511 R518	Y326-A514 HydrophobicContact CD1-CB 3.95Å; Y326-A514 HydrophobicContact CD2-CB 4.32Å; Y326-A514 HydrophobicContact CE1-CB 3.57Å; Y326-A514 HydrophobicContact CE2-CB 3.97Å; Y326-A514 HydrophobicContact CG-CB 4.3Å; V510-A514 PolarHBondContact O-N 3Å; V510-A514 VanDerWaalsContact O-N 3.09Å; T511-A514 PolarHBondContact O-N 2.88Å; A514-R518 WeakPolarHBondContact O-CB 3.36Å; A514-R518 PolarHBondContact O-N 3.44Å
515	I	87.6	Confident	85.3	Confident	71 Å²	71	89.6 Å²	89.6	36%	0.364	47%	0.47	S	S	.	.	H	α-helix	trans	-64.2	-47.5	174.3	-68.9	163.1	0	0	0	110	Y326 T511 D512 Y513 Q517 R518 I519	Y326-I515 HydrophobicContact CD1-CG1 4.1Å; T511-I515 WeakPolarHBondContact O-CB 3.35Å; T511-I515 WeakPolarHBondContact O-CD1 3.46Å; T511-I515 WeakPolarHBondContact O-CG1 3.35Å; T511-I515 PolarHBondContact O-N 3.49Å; D512-I515 PolarHBondContact O-N 2.92Å; Y513-I515 PolarHBondContact O-N 2.87Å; I515-Q517 PolarHBondContact O-N 3.17Å; I515-R518 WeakPolarHBondContact O-CB 3.37Å; I515-R518 PolarHBondContact O-N 3.46Å; I515-R518 VanDerWaalsContact O-N 3.13Å; I515-I519 HydrophobicContact CG2-CD1 3.7Å; I515-I519 HydrophobicContact CG2-CG1 4.42Å; I515-I519 VanDerWaalsContact O-CG1 3.31Å; I515-I519 WeakPolarHBondContact O-CG1 3.44Å; I515-I519 PolarHBondContact O-N 3.32Å
516	A	88.9	Confident	84.4	Confident	49 Å²	49	91.5 Å²	91.5	41%	0.405	48%	0.48	S	S	.	.	H	α-helix	trans	-60.5	-44.9	178.5	0	0	0	0	0	111.5	D512 Y513 R518 I519 T520	D512-A516 VanDerWaalsContact O-CB 3.25Å; D512-A516 WeakPolarHBondContact O-CB 3.22Å; D512-A516 PolarHBondContact O-N 2.71Å; Y513-A516 PolarHBondContact O-N 2.88Å; A516-R518 VanDerWaalsContact C-N 3.3Å; A516-R518 PolarHBondContact O-N 2.84Å; A516-I519 PolarHBondContact O-N 3.42Å; A516-T520 WeakPolarHBondContact O-CG2 3.42Å; A516-T520 PolarHBondContact O-N 2.95Å; A516-T520 PolarHBondContact O-OG1 3.48Å
517	Q	88.4	Confident	83.3	Confident	100 Å²	100	90.8 Å²	90.8	47%	0.467	48%	0.479	S	S	.	.	H	α-helix	trans	-60.6	-40.8	174.5	-172.9	179.3	10	0	0	111.6	Y513 I515 T520 D521	Y513-Q517 WeakPolarHBondContact O-CB 3.24Å; Y513-Q517 PolarHBondContact O-N 3.32Å; I515-Q517 PolarHBondContact O-N 3.17Å; Q517-T520 WeakPolarHBondContact CA-OG1 3.42Å; Q517-T520 PolarHBondContact O-N 3.38Å; Q517-T520 PolarHBondContact O-OG1 3.21Å; Q517-D521 WeakPolarHBondContact O-CB 3.3Å; Q517-D521 PolarHBondContact O-N 3.44Å
518	R	82.5	Confident	82.3	Confident	65 Å²	65	92.2 Å²	92.2	25%	0.245	48%	0.484	C	S	.	.	H	α-helix	trans	-66	-41.4	178.4	-171.3	51.5	158.3	177.6	-15.8	112	P323 A514 I515 A516 L522	P323-R518 PolarHBondContact O-NE 3.12Å; P323-R518 PolarHBondContact O-NH2 3.33Å; A514-R518 WeakPolarHBondContact O-CB 3.36Å; A514-R518 PolarHBondContact O-N 3.44Å; I515-R518 WeakPolarHBondContact O-CB 3.37Å; I515-R518 PolarHBondContact O-N 3.46Å; I515-R518 VanDerWaalsContact O-N 3.13Å; A516-R518 VanDerWaalsContact C-N 3.3Å; A516-R518 PolarHBondContact O-N 2.84Å; R518-L522 HydrophobicContact CG-CD1 4.49Å; R518-L522 VanDerWaalsContact O-CG 3.24Å; R518-L522 WeakPolarHBondContact O-CG 3.28Å; R518-L522 PolarHBondContact O-N 3.46Å; R518-L522 VanDerWaalsContact O-N 3.1Å
519	I	84.7	Confident	80.9	Confident	85 Å²	85	91.4 Å²	91.4	44%	0.436	49%	0.488	S	S	.	.	H	α-helix	trans	-66.6	-44.9	177.3	-67.7	167.6	0	0	0	110.5	I515 A516 D521 L522 H523	I515-I519 HydrophobicContact CG2-CD1 3.7Å; I515-I519 HydrophobicContact CG2-CG1 4.42Å; I515-I519 VanDerWaalsContact O-CG1 3.31Å; I515-I519 WeakPolarHBondContact O-CG1 3.44Å; I515-I519 PolarHBondContact O-N 3.32Å; A516-I519 PolarHBondContact O-N 3.42Å; I519-D521 VanDerWaalsContact C-N 3.35Å; I519-D521 PolarHBondContact O-N 3.46Å; I519-L522 PolarHBondContact O-N 3.31Å; I519-H523 PolarHBondContact O-CD2 3.01Å; I519-H523 VanDerWaalsContact O-CD2 3.26Å; I519-H523 PolarHBondContact O-N 3.37Å
520	T	87.4	Confident	79.9	Confident	71 Å²	71	84.5 Å²	84.5	44%	0.436	46%	0.457	S	S	.	.	H	α-helix	trans	-63.6	-41.8	177.8	60.3	0	0	0	0	111.4	A516 Q517 L522 H523 M524	A516-T520 WeakPolarHBondContact O-CG2 3.42Å; A516-T520 PolarHBondContact O-N 2.95Å; A516-T520 PolarHBondContact O-OG1 3.48Å; Q517-T520 WeakPolarHBondContact CA-OG1 3.42Å; Q517-T520 PolarHBondContact O-N 3.38Å; Q517-T520 PolarHBondContact O-OG1 3.21Å; T520-L522 VanDerWaalsContact C-N 3.31Å; T520-L522 PolarHBondContact O-N 2.98Å; T520-H523 PolarHBondContact O-N 3.29Å; T520-M524 WeakPolarHBondContact O-CB 3.17Å; T520-M524 VanDerWaalsContact O-CG 3.29Å; T520-M524 WeakPolarHBondContact O-CG 3.44Å; T520-M524 PolarHBondContact O-N 2.88Å
521	D	85.4	Confident	78.7	Confident	42 Å²	42	91.4 Å²	91.4	23%	0.225	47%	0.472	C	S	.	.	H	α-helix	trans	-57.9	-42	174	-93.1	-27.5	0	0	0	112.3	Q517 I519 K525	Q517-D521 WeakPolarHBondContact O-CB 3.3Å; Q517-D521 PolarHBondContact O-N 3.44Å; I519-D521 VanDerWaalsContact C-N 3.35Å; I519-D521 PolarHBondContact O-N 3.46Å; D521-K525 WeakPolarHBondContact O-CA 3.35Å; D521-K525 WeakPolarHBondContact O-CB 3.38Å; D521-K525 PolarHBondContact O-N 3.38Å; D521-K525 IonicContact OD1-NZ 2.71Å; D521-K525 PolarHBondContact OD1-NZ 3.05Å
522	L	82.5	Confident	78.3	Confident	35 Å²	35	94.3 Å²	94.3	18%	0.183	48%	0.477	C	S	.	.	H	α-helix	trans	-66.3	-36	177.9	-73.1	166.6	0	0	0	112.6	T324 R518 I519 T520 L527 V530	T324-L522 HydrophobicContact CG2-CD1 4.23Å; T324-L522 HydrophobicContact CG2-CD2 4.01Å; R518-L522 HydrophobicContact CG-CD1 4.49Å; R518-L522 VanDerWaalsContact O-CG 3.24Å; R518-L522 WeakPolarHBondContact O-CG 3.28Å; R518-L522 PolarHBondContact O-N 3.46Å; R518-L522 VanDerWaalsContact O-N 3.1Å; I519-L522 PolarHBondContact O-N 3.31Å; T520-L522 VanDerWaalsContact C-N 3.31Å; T520-L522 PolarHBondContact O-N 2.98Å; L522-L527 HydrophobicContact CD2-CD2 3.66Å; L522-L527 HydrophobicContact CD2-CG 4.43Å; L522-V530 HydrophobicContact CD2-CG2 4.13Å
523	H	83.9	Confident	77.9	Confident	155 Å²	155	95.1 Å²	95.1	72%	0.718	49%	0.485	S	S	*	.	H	α-helix	trans	-76.3	-37.2	177	-82.2	-72.3	0	0	0	112.9	I519 T520	I519-H523 PolarHBondContact O-CD2 3.01Å; I519-H523 VanDerWaalsContact O-CD2 3.26Å; I519-H523 PolarHBondContact O-N 3.37Å; T520-H523 PolarHBondContact O-N 3.29Å
524	M	82.1	Confident	77.6	Confident	158 Å²	158	88 Å²	88	78%	0.778	46%	0.457	S	S	*	.	H	α-helix	trans	-76.7	-48.2	179.8	-70	-175.5	81.2	0	0	111.9	T520	T520-M524 WeakPolarHBondContact O-CB 3.17Å; T520-M524 VanDerWaalsContact O-CG 3.29Å; T520-M524 WeakPolarHBondContact O-CG 3.44Å; T520-M524 PolarHBondContact O-N 2.88Å
525	K	68.5	Low	77.5	Confident	110 Å²	110	90.5 Å²	90.5	48%	0.478	47%	0.47	S	S	.	.	S	Bend	trans	-108.3	100.9	-177.8	-51.5	168.1	-175.1	138.4	0	105.8	D521 L527 A529	D521-K525 WeakPolarHBondContact O-CA 3.35Å; D521-K525 WeakPolarHBondContact O-CB 3.38Å; D521-K525 PolarHBondContact O-N 3.38Å; D521-K525 IonicContact OD1-NZ 2.71Å; D521-K525 PolarHBondContact OD1-NZ 3.05Å; K525-L527 PolarHBondContact O-N 2.97Å; K525-A529 HydrophobicContact CB-CB 3.55Å; K525-A529 HydrophobicContact CD-CB 4.28Å; K525-A529 HydrophobicContact CG-CB 4.4Å
526	N	66.1	Low	77.3	Confident	138 Å²	138	89.5 Å²	89.5	74%	0.738	47%	0.467	S	S	*	.			trans	-37.1	138.8	171.5	-89.3	-28.4	0	0	0	110.1	A528 A529	N526-A528 WeakPolarHBondContact O-CA 3.49Å; N526-A528 PolarHBondContact O-N 3.09Å; N526-A529 PolarHBondContact O-N 3.09Å
527	L	61.7	Low	76.9	Confident	101 Å²	101	92.8 Å²	92.8	53%	0.529	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-34.3	-29.4	-173.3	-76.7	152.3	0	0	0	116.5	T324 L522 K525 A529 V530	T324-L527 HydrophobicContact CG2-CD2 3.81Å; L522-L527 HydrophobicContact CD2-CD2 3.66Å; L522-L527 HydrophobicContact CD2-CG 4.43Å; K525-L527 PolarHBondContact O-N 2.97Å; L527-A529 PolarHBondContact O-N 3.22Å; L527-V530 PolarHBondContact O-N 3.36Å
528	A	60.1	Low	76.8	Confident	103 Å²	103	90.7 Å²	90.7	85%	0.851	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-54	-25.3	173.1	0	0	0	0	0	115.3	N526	N526-A528 WeakPolarHBondContact O-CA 3.49Å; N526-A528 PolarHBondContact O-N 3.09Å
529	A	56	Low	77	Confident	58 Å²	58	87.7 Å²	87.7	48%	0.479	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-84.9	-11.1	-176.3	0	0	0	0	0	114.6	K525 N526 L527 R531	K525-A529 HydrophobicContact CB-CB 3.55Å; K525-A529 HydrophobicContact CD-CB 4.28Å; K525-A529 HydrophobicContact CG-CB 4.4Å; N526-A529 PolarHBondContact O-N 3.09Å; L527-A529 PolarHBondContact O-N 3.22Å; A529-R531 PolarHBondContact O-N 2.95Å; A529-R531 VanDerWaalsContact O-N 3.14Å
530	V	67.1	Low	77	Confident	24 Å²	24	85.9 Å²	85.9	15%	0.145	44%	0.443	C	S	.	.	S	Bend	trans	-73.3	112.1	177	-176.3	0	0	0	0	108.4	P323 L522 L527 R532	P323-V530 HydrophobicContact CB-CB 4.39Å; P323-V530 HydrophobicContact CB-CG1 3.68Å; L522-V530 HydrophobicContact CD2-CG2 4.13Å; L527-V530 PolarHBondContact O-N 3.36Å; V530-R532 PolarHBondContact O-N 3.04Å
531	R	66.5	Low	76.7	Confident	248 Å²	248	83.2 Å²	83.2	94%	0.936	43%	0.427	S	S	*	.			trans	-56.9	110.8	176.7	-68.3	-178	177.5	177.6	-0.6	109.4	A529	A529-R531 PolarHBondContact O-N 2.95Å; A529-R531 VanDerWaalsContact O-N 3.14Å
532	R	76.4	Confident	76.8	Confident	108 Å²	108	81.2 Å²	81.2	41%	0.408	42%	0.417	S	S	.	.			trans	-102.6	140.7	168.2	-60.5	179.9	-171.1	-171.3	-3	107.8	V530	V530-R532 PolarHBondContact O-N 3.04Å
533	V	81	Confident	77	Confident	92 Å²	92	80.2 Å²	80.2	56%	0.558	41%	0.411	S	S	*	.	S	Bend	trans	-74.4	-39	176	-177.1	0	0	0	0	109.8
534	Y	84.1	Confident	76.8	Confident	18 Å²	18	74.6 Å²	74.6	7%	0.071	39%	0.391	C	S	.	.	S	Bend	trans	-122	150.7	-178.4	-54.5	-61.7	0	0	0	112.1	M307 N310 L313 D316 L317	M307-Y534 HydrophobicContact CE-CD1 3.23Å; M307-Y534 HydrophobicContact CE-CE1 3.78Å; M307-Y534 HydrophobicContact CE-CG 3.77Å; M307-Y534 HydrophobicContact CG-CD1 4.19Å; M307-Y534 HydrophobicContact CG-CE1 3.79Å; M307-Y534 HydrophobicContact SD-CD1 4.21Å; M307-Y534 HydrophobicContact SD-CE1 4.36Å; N310-Y534 PolarHBondContact ND2-OH 3.16Å; L313-Y534 HydrophobicContact CD1-CE2 4.34Å; D316-Y534 HydrophobicContact CB-CD2 4.45Å; D316-Y534 HydrophobicContact CB-CE2 3.64Å; L317-Y534 HydrophobicContact CD2-CD2 4.11Å; L317-Y534 HydrophobicContact CD2-CE2 4.44Å
535	T	86.1	Confident	76.9	Confident	70 Å²	70	67.9 Å²	67.9	43%	0.429	36%	0.358	S	S	.	.			trans	-80.4	156.2	173.2	69.8	0	0	0	0	111	Q537 E538 I539	T535-Q537 VanDerWaalsContact C-N 3.28Å; T535-Q537 PolarHBondContact O-N 3.26Å; T535-E538 PolarHBondContact N-OE2 3.22Å; T535-E538 WeakPolarHBondContact O-CB 3.16Å; T535-E538 PolarHBondContact O-N 3.03Å; T535-E538 WeakPolarHBondContact OG1-CB 3.46Å; T535-E538 WeakPolarHBondContact OG1-CG 3.4Å; T535-E538 PolarHBondContact OG1-N 3.46Å; T535-E538 PolarHBondContact OG1-OE2 3.47Å; T535-I539 WeakPolarHBondContact O-CG1 3.39Å; T535-I539 PolarHBondContact O-N 2.92Å; T535-I539 VanDerWaalsContact O-N 3.11Å
536	V	83.7	Confident	77.7	Confident	49 Å²	49	62.7 Å²	62.7	30%	0.297	34%	0.335	S	S	.	.	H	α-helix	trans	-60.3	-40.5	179.7	173.2	0	0	0	0	111.4	F379 E538 I539 Q540	F379-V536 HydrophobicContact CD2-CG1 3.72Å; F379-V536 HydrophobicContact CE2-CG1 3.83Å; V536-E538 PolarHBondContact O-N 2.91Å; V536-I539 PolarHBondContact O-N 3.43Å; V536-Q540 HydrophobicContact CG1-CG 4.34Å; V536-Q540 VanDerWaalsContact O-CG 3.32Å; V536-Q540 WeakPolarHBondContact O-CG 3.47Å; V536-Q540 PolarHBondContact O-N 3.38Å
537	Q	81.6	Confident	78.6	Confident	118 Å²	118	60.2 Å²	60.2	55%	0.551	32%	0.316	S	S	*	.	H	α-helix	trans	-63.8	-42.1	179.8	-68.3	177.7	-8.2	0	0	111.8	T535 Q540 C541	T535-Q537 VanDerWaalsContact C-N 3.28Å; T535-Q537 PolarHBondContact O-N 3.26Å; Q537-Q540 PolarHBondContact O-N 3.04Å; Q537-C541 VanDerWaalsContact O-CB 3.24Å; Q537-C541 WeakPolarHBondContact O-CB 3.4Å; Q537-C541 PolarHBondContact O-N 3Å
538	E	86.1	Confident	79.5	Confident	56 Å²	56	59.1 Å²	59.1	26%	0.262	31%	0.307	S	S	.	.	H	α-helix	trans	-61.6	-44	174.9	-81.9	165.7	-168	0	0	112.3	M307 T535 V536 C541 Y542	M307-E538 HydrophobicContact CE-CB 3.46Å; M307-E538 VanDerWaalsContact CE-CB 3.46Å; M307-E538 HydrophobicContact CE-CG 3.95Å; T535-E538 PolarHBondContact N-OE2 3.22Å; T535-E538 WeakPolarHBondContact O-CB 3.16Å; T535-E538 PolarHBondContact O-N 3.03Å; T535-E538 WeakPolarHBondContact OG1-CB 3.46Å; T535-E538 WeakPolarHBondContact OG1-CG 3.4Å; T535-E538 PolarHBondContact OG1-N 3.46Å; T535-E538 PolarHBondContact OG1-OE2 3.47Å; V536-E538 PolarHBondContact O-N 2.91Å; E538-C541 WeakPolarHBondContact O-CB 3.37Å; E538-C541 PolarHBondContact O-N 2.81Å; E538-Y542 WeakPolarHBondContact O-CB 3.41Å; E538-Y542 PolarHBondContact O-N 3.45Å
539	I	86.9	Confident	80.6	Confident	2 Å²	2	55.5 Å²	55.5	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-66.4	-43.2	178	-57.8	167.4	0	0	0	110.4	L317 L321 F379 T535 V536 C541 Y542 I543	L317-I539 HydrophobicContact CD2-CD1 4.47Å; L317-I539 HydrophobicContact CD2-CG1 3.97Å; L317-I539 HydrophobicContact CD2-CG2 4.02Å; L321-I539 HydrophobicContact CD2-CD1 4.24Å; L321-I539 HydrophobicContact CD2-CG2 4.14Å; F379-I539 HydrophobicContact CE2-CB 3.94Å; F379-I539 HydrophobicContact CE2-CG2 3.9Å; F379-I539 HydrophobicContact CZ-CB 3.93Å; F379-I539 HydrophobicContact CZ-CG2 3.52Å; T535-I539 WeakPolarHBondContact O-CG1 3.39Å; T535-I539 PolarHBondContact O-N 2.92Å; T535-I539 VanDerWaalsContact O-N 3.11Å; V536-I539 PolarHBondContact O-N 3.43Å; I539-C541 VanDerWaalsContact C-N 3.33Å; I539-C541 PolarHBondContact O-N 2.93Å; I539-Y542 WeakPolarHBondContact O-CB 3.38Å; I539-Y542 PolarHBondContact O-N 3.38Å; I539-I543 HydrophobicContact CG2-CD1 3.81Å; I539-I543 HydrophobicContact CG2-CG1 4.32Å; I539-I543 WeakPolarHBondContact O-CG1 3.27Å; I539-I543 PolarHBondContact O-N 3.2Å
540	Q	84.3	Confident	82	Confident	47 Å²	47	60.9 Å²	60.9	22%	0.22	28%	0.28	C	S	.	.	H	α-helix	trans	-59.1	-45.5	175.7	-74.8	173.7	-13.2	0	0	111.4	F379 V536 Q537 Y542 I543 A544	F379-Q540 HydrophobicContact CE1-CG 4.3Å; F379-Q540 HydrophobicContact CE2-CG 3.91Å; F379-Q540 HydrophobicContact CZ-CG 3.71Å; F379-Q540 PolarHBondContact O-NE2 3.46Å; V536-Q540 HydrophobicContact CG1-CG 4.34Å; V536-Q540 VanDerWaalsContact O-CG 3.32Å; V536-Q540 WeakPolarHBondContact O-CG 3.47Å; V536-Q540 PolarHBondContact O-N 3.38Å; Q537-Q540 PolarHBondContact O-N 3.04Å; Q540-Y542 VanDerWaalsContact C-N 3.33Å; Q540-Y542 PolarHBondContact O-N 2.95Å; Q540-I543 PolarHBondContact O-N 3.05Å; Q540-A544 WeakPolarHBondContact O-CB 3.43Å; Q540-A544 PolarHBondContact O-N 3.18Å
541	C	80.7	Confident	83.1	Confident	16 Å²	16	60.1 Å²	60.1	11%	0.108	28%	0.275	C	S	.	.	H	α-helix	trans	-59.2	-44.8	174.6	173.8	0	0	0	0	111.4	F276 Q537 E538 I539 A544 F545	F276-C541 HydrophobicContact CE2-CB 4.38Å; F276-C541 VanDerWaalsContact CE2-SG 3.51Å; F276-C541 WeakPolarHBondContact CZ-SG 3.31Å; Q537-C541 VanDerWaalsContact O-CB 3.24Å; Q537-C541 WeakPolarHBondContact O-CB 3.4Å; Q537-C541 PolarHBondContact O-N 3Å; E538-C541 WeakPolarHBondContact O-CB 3.37Å; E538-C541 PolarHBondContact O-N 2.81Å; I539-C541 VanDerWaalsContact C-N 3.33Å; I539-C541 PolarHBondContact O-N 2.93Å; C541-A544 PolarHBondContact O-N 3.12Å; C541-F545 WeakPolarHBondContact O-CB 3.18Å; C541-F545 PolarHBondContact O-N 3.3Å
542	Y	87.2	Confident	84.3	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.2	-47	177.6	-171.3	-96.1	0	0	0	112.4	V304 M307 L313 F340 E538 I539 Q540 F545 A546 L601 C603	V304-Y542 HydrophobicContact CB-CD2 4.37Å; V304-Y542 HydrophobicContact CG1-CD2 3.98Å; V304-Y542 HydrophobicContact CG1-CE2 4.13Å; V304-Y542 HydrophobicContact CG2-CD2 4.24Å; M307-Y542 HydrophobicContact CB-CD2 3.98Å; M307-Y542 HydrophobicContact CB-CE2 3.97Å; M307-Y542 HydrophobicContact SD-CD2 4.11Å; M307-Y542 HydrophobicContact SD-CG 4.27Å; L313-Y542 HydrophobicContact CD2-CE1 4.01Å; L313-Y542 VanDerWaalsContact CD2-OH 3.29Å; L313-Y542 WeakPolarHBondContact CD2-OH 3.5Å; F340-Y542 HydrophobicContact CE1-CD1 4.05Å; F340-Y542 HydrophobicContact CE1-CE1 4.03Å; F340-Y542 AromaticContact CZ-CD1 3.99Å; F340-Y542 HydrophobicContact CZ-CD1 3.99Å; F340-Y542 AromaticContact CZ-CE1 3.95Å; F340-Y542 HydrophobicContact CZ-CE1 3.95Å; E538-Y542 WeakPolarHBondContact O-CB 3.41Å; E538-Y542 PolarHBondContact O-N 3.45Å; I539-Y542 WeakPolarHBondContact O-CB 3.38Å; I539-Y542 PolarHBondContact O-N 3.38Å; Q540-Y542 VanDerWaalsContact C-N 3.33Å; Q540-Y542 PolarHBondContact O-N 2.95Å; Y542-F545 PolarHBondContact O-N 2.93Å; Y542-A546 VanDerWaalsContact O-CB 3.29Å; Y542-A546 WeakPolarHBondContact O-CB 3.28Å; Y542-A546 PolarHBondContact O-N 2.84Å; Y542-L601 PolarHBondContact OH-O 3.21Å; Y542-C603 PolarHBondContact OH-SG 2.94Å; Y542-C603 VanDerWaalsContact OH-SG 3.35Å
543	I	86.9	Confident	84.9	Confident	13 Å²	13	50.2 Å²	50.2	7%	0.067	25%	0.252	C	S	.	.	H	α-helix	trans	-63	-44.8	177.9	-68.9	168.4	0	0	0	110.3	L339 F340 F379 I539 Q540 F545 A546 R547	L339-I543 HydrophobicContact CB-CD1 4.26Å; L339-I543 HydrophobicContact CD1-CD1 4.31Å; F340-I543 HydrophobicContact CD1-CG1 4.42Å; F340-I543 HydrophobicContact CE1-CB 4.4Å; F340-I543 HydrophobicContact CE1-CG1 3.88Å; F340-I543 HydrophobicContact CZ-CG1 3.93Å; F379-I543 HydrophobicContact CE1-CD1 3.56Å; F379-I543 HydrophobicContact CZ-CD1 3.71Å; I539-I543 HydrophobicContact CG2-CD1 3.81Å; I539-I543 HydrophobicContact CG2-CG1 4.32Å; I539-I543 WeakPolarHBondContact O-CG1 3.27Å; I539-I543 PolarHBondContact O-N 3.2Å; Q540-I543 PolarHBondContact O-N 3.05Å; I543-F545 VanDerWaalsContact C-N 3.31Å; I543-F545 PolarHBondContact O-N 3.16Å; I543-A546 PolarHBondContact O-N 3.41Å; I543-R547 HydrophobicContact CG2-CG 4.35Å; I543-R547 WeakPolarHBondContact O-CG 3.47Å; I543-R547 PolarHBondContact O-N 2.86Å
544	A	80.8	Confident	85.5	Confident	37 Å²	37	48 Å²	48	31%	0.306	24%	0.239	S	C	.	.	H	α-helix	trans	-58.1	-44.7	176.6	0	0	0	0	0	111.3	Q540 C541 F548	Q540-A544 WeakPolarHBondContact O-CB 3.43Å; Q540-A544 PolarHBondContact O-N 3.18Å; C541-A544 PolarHBondContact O-N 3.12Å; A544-F548 WeakPolarHBondContact O-CD2 3.33Å; A544-F548 WeakPolarHBondContact O-CE2 3.32Å
545	F	83.3	Confident	85.9	Confident	18 Å²	18	53.5 Å²	53.5	8%	0.079	27%	0.269	C	S	.	.	H	α-helix	trans	-63.9	-44.9	175.2	-178.1	-107.7	0	0	0	112.6	K293 M296 L301 V304 C541 Y542 I543 R547 F548 F549	K293-F545 HydrophobicContact CG-CE2 4.2Å; M296-F545 HydrophobicContact CE-CB 4.02Å; M296-F545 HydrophobicContact CE-CD2 3.65Å; M296-F545 HydrophobicContact CE-CG 4.32Å; M296-F545 HydrophobicContact SD-CD2 3.6Å; M296-F545 HydrophobicContact SD-CE2 4.23Å; M296-F545 HydrophobicContact SD-CG 4.45Å; L301-F545 HydrophobicContact CD2-CE2 4.39Å; V304-F545 HydrophobicContact CG1-CD1 3.4Å; V304-F545 VanDerWaalsContact CG1-CD1 3.4Å; V304-F545 HydrophobicContact CG1-CE1 3.67Å; V304-F545 HydrophobicContact CG1-CG 4.03Å; C541-F545 WeakPolarHBondContact O-CB 3.18Å; C541-F545 PolarHBondContact O-N 3.3Å; Y542-F545 PolarHBondContact O-N 2.93Å; I543-F545 VanDerWaalsContact C-N 3.31Å; I543-F545 PolarHBondContact O-N 3.16Å; F545-R547 VanDerWaalsContact C-N 3.34Å; F545-R547 PolarHBondContact O-N 3.24Å; F545-F548 PolarHBondContact O-N 3.27Å; F545-F549 AromaticContact CD1-CE2 3.74Å; F545-F549 HydrophobicContact CD1-CE2 3.74Å; F545-F549 HydrophobicContact CD1-CZ 4.43Å; F545-F549 AromaticContact CE1-CE2 3.36Å; F545-F549 HydrophobicContact CE1-CE2 3.36Å; F545-F549 AromaticContact CE1-CZ 3.61Å; F545-F549 HydrophobicContact CE1-CZ 3.61Å; F545-F549 HydrophobicContact CE2-CE2 4.49Å; F545-F549 HydrophobicContact CG-CE2 4.48Å; F545-F549 AromaticContact CZ-CE2 3.78Å; F545-F549 HydrophobicContact CZ-CE2 3.78Å; F545-F549 AromaticContact CZ-CZ 3.67Å; F545-F549 HydrophobicContact CZ-CZ 3.67Å
546	A	85.9	Confident	86.2	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-65.5	-34.4	-177.4	0	0	0	0	0	113.1	F340 Y542 I543 F548 F549	F340-A546 HydrophobicContact CD1-CB 3.56Å; F340-A546 HydrophobicContact CE1-CB 3.4Å; Y542-A546 VanDerWaalsContact O-CB 3.29Å; Y542-A546 WeakPolarHBondContact O-CB 3.28Å; Y542-A546 PolarHBondContact O-N 2.84Å; I543-A546 PolarHBondContact O-N 3.41Å; A546-F548 PolarHBondContact O-N 3.28Å; A546-F549 PolarHBondContact O-N 3.23Å; A546-F549 VanDerWaalsContact O-N 3.16Å
547	R	83.4	Confident	86.7	Confident	86 Å²	86	50.4 Å²	50.4	33%	0.325	26%	0.256	S	S	.	.	H	α-helix	trans	-60.8	-25.1	178.6	-77.8	-179.2	75.7	174.8	5.7	113.4	F340 N421 I543 F545 F549	F340-R547 WeakPolarHBondContact O-CG 3.42Å; N421-R547 PolarHBondContact O-NH1 3.16Å; N421-R547 PolarHBondContact O-NH2 2.92Å; I543-R547 HydrophobicContact CG2-CG 4.35Å; I543-R547 WeakPolarHBondContact O-CG 3.47Å; I543-R547 PolarHBondContact O-N 2.86Å; F545-R547 VanDerWaalsContact C-N 3.34Å; F545-R547 PolarHBondContact O-N 3.24Å; R547-F549 VanDerWaalsContact C-N 3.35Å
548	F	80.8	Confident	87.2	Confident	78 Å²	78	46.7 Å²	46.7	34%	0.342	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-21	178.7	-68.2	-71.4	0	0	0	114	W281 I292 A544 F545 A546 R550	W281-F548 HydrophobicContact CB-CE1 4.49Å; W281-F548 HydrophobicContact CB-CZ 4.22Å; I292-F548 HydrophobicContact CD1-CB 3.74Å; I292-F548 HydrophobicContact CD1-CD1 3.27Å; I292-F548 HydrophobicContact CD1-CD2 3.91Å; I292-F548 HydrophobicContact CD1-CE1 3.72Å; I292-F548 HydrophobicContact CD1-CE2 4.31Å; I292-F548 HydrophobicContact CD1-CG 3.38Å; I292-F548 HydrophobicContact CD1-CZ 4.22Å; I292-F548 HydrophobicContact CG1-CD1 4.36Å; I292-F548 HydrophobicContact CG1-CE1 4.39Å; I292-F548 HydrophobicContact CG1-CG 4.47Å; I292-F548 HydrophobicContact CG2-CD2 4.15Å; I292-F548 HydrophobicContact CG2-CE2 4.17Å; A544-F548 WeakPolarHBondContact O-CD2 3.33Å; A544-F548 WeakPolarHBondContact O-CE2 3.32Å; F545-F548 PolarHBondContact O-N 3.27Å; A546-F548 PolarHBondContact O-N 3.28Å; F548-R550 PolarHBondContact O-N 3.39Å
549	F	83.5	Confident	87.6	Confident	27 Å²	27	50.8 Å²	50.8	12%	0.118	27%	0.265	C	S	.	.			trans	-71.6	131.7	177.5	-69.2	-82.5	0	0	0	110.6	F545 A546 R547 P551 K600 C603	F545-F549 AromaticContact CD1-CE2 3.74Å; F545-F549 HydrophobicContact CD1-CE2 3.74Å; F545-F549 HydrophobicContact CD1-CZ 4.43Å; F545-F549 AromaticContact CE1-CE2 3.36Å; F545-F549 HydrophobicContact CE1-CE2 3.36Å; F545-F549 AromaticContact CE1-CZ 3.61Å; F545-F549 HydrophobicContact CE1-CZ 3.61Å; F545-F549 HydrophobicContact CE2-CE2 4.49Å; F545-F549 HydrophobicContact CG-CE2 4.48Å; F545-F549 AromaticContact CZ-CE2 3.78Å; F545-F549 HydrophobicContact CZ-CE2 3.78Å; F545-F549 AromaticContact CZ-CZ 3.67Å; F545-F549 HydrophobicContact CZ-CZ 3.67Å; A546-F549 PolarHBondContact O-N 3.23Å; A546-F549 VanDerWaalsContact O-N 3.16Å; R547-F549 VanDerWaalsContact C-N 3.35Å; F549-P551 WeakPolarHBondContact O-CD 3.38Å; F549-K600 WeakPolarHBondContact O-CE 3.43Å; F549-C603 HydrophobicContact CD2-CB 4.31Å; F549-C603 HydrophobicContact CE2-CB 3.91Å; F549-C603 HydrophobicContact CZ-CB 4.25Å
550	R	86.6	Confident	87.8	Confident	172 Å²	172	51.2 Å²	51.2	65%	0.649	27%	0.268	S	S	*	.			trans	-107.9	86.9	172.2	-64.3	-176.8	179.8	-177.9	-2.1	108.4	V343 F548	V343-R550 HydrophobicContact CG1-CB 4.38Å; V343-R550 HydrophobicContact CG1-CG 4.27Å; F548-R550 PolarHBondContact O-N 3.39Å
551	P	90.3	Very high	88.2	Confident	7 Å²	7	49.2 Å²	49.2	5%	0.045	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-63.8	138.6	178.3	26.3	-35.8	0	0	0	111.2	V343 F549 E596 A599 K600 S605 V607	V343-P551 HydrophobicContact CG2-CG 3.98Å; F549-P551 WeakPolarHBondContact O-CD 3.38Å; P551-E596 HydrophobicContact CG-CB 4.06Å; P551-E596 HydrophobicContact CG-CG 4.32Å; P551-A599 HydrophobicContact CB-CB 3.84Å; P551-A599 HydrophobicContact CG-CB 4.11Å; P551-K600 HydrophobicContact CG-CG 4.07Å; P551-S605 CarbonylContact C-O 3.55Å; P551-S605 VanDerWaalsContact CA-O 3.26Å; P551-S605 WeakPolarHBondContact CA-O 3.41Å; P551-V607 HydrophobicContact CB-CG2 3.97Å
552	V	89.9	Confident	88.8	Confident	97 Å²	97	52 Å²	52	59%	0.588	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	139.1	174.7	-176.5	0	0	0	0	109.1	S605 K606 V607	V552-S605 PolarHBondContact N-O 3.27Å; V552-K606 CarbonylContact O-C 3.57Å; V552-K606 WeakPolarHBondContact O-CA 3.45Å; V552-V607 PolarHBondContact O-N 3.08Å
553	L	89.5	Confident	89	Confident	52 Å²	52	55.8 Å²	55.8	27%	0.272	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	133.3	174.3	-69.3	163.6	0	0	0	109.6	L561 I592 V607	L553-L561 HydrophobicContact CD2-CD1 3.95Å; L553-I592 HydrophobicContact CD1-CG2 4.16Å; L553-V607 HydrophobicContact CD2-CB 3.99Å; L553-V607 HydrophobicContact CD2-CG1 4.12Å; L553-V607 HydrophobicContact CD2-CG2 3.91Å
554	T	93.2	Very high	89.1	Confident	44 Å²	44	56.6 Å²	56.6	27%	0.27	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-86.9	154.9	168.8	58.9	0	0	0	0	110	A556 A557 A558 K606 V607	T554-A556 VanDerWaalsContact C-N 3.32Å; T554-A556 PolarHBondContact O-N 3.33Å; T554-A557 WeakPolarHBondContact O-CA 3.5Å; T554-A557 WeakPolarHBondContact O-CB 3.38Å; T554-A557 PolarHBondContact O-N 2.81Å; T554-A557 VanDerWaalsContact OG1-CB 3.27Å; T554-A557 WeakPolarHBondContact OG1-CB 3.27Å; T554-A557 PolarHBondContact OG1-N 2.89Å; T554-A558 PolarHBondContact O-N 3.12Å; T554-K606 HydrophobicContact CG2-CB 4.05Å; T554-K606 HydrophobicContact CG2-CD 4.29Å; T554-V607 WeakPolarHBondContact CG2-O 3.38Å; T554-V607 PolarHBondContact OG1-O 2.81Å
555	D	92.8	Very high	89.5	Confident	134 Å²	134	55.9 Å²	55.9	72%	0.717	29%	0.287	S	S	*	.	H	α-helix	trans	-59.6	-43.8	-179.1	-55.4	-30.3	0	0	0	111.5	A557 A558 E559	D555-A557 VanDerWaalsContact C-N 3.27Å; D555-A557 PolarHBondContact O-N 3.31Å; D555-A558 WeakPolarHBondContact O-CA 3.23Å; D555-A558 WeakPolarHBondContact O-CB 3.44Å; D555-A558 PolarHBondContact O-N 3.14Å; D555-E559 PolarHBondContact O-N 3.46Å
556	A	93.7	Very high	89.7	Confident	55 Å²	55	61.4 Å²	61.4	46%	0.455	31%	0.311	S	S	.	.	H	α-helix	trans	-60.1	-33.4	174	0	0	0	0	0	113.5	T554 C560 V609	T554-A556 VanDerWaalsContact C-N 3.32Å; T554-A556 PolarHBondContact O-N 3.33Å; A556-C560 WeakPolarHBondContact O-CB 3.18Å; A556-C560 PolarHBondContact O-N 2.87Å; A556-V609 HydrophobicContact CB-CG2 4.21Å
557	A	92.8	Very high	89.8	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-73.6	-35.2	174.5	0	0	0	0	0	111.3	T554 D555 C560 L561 V607 V612	T554-A557 WeakPolarHBondContact O-CA 3.5Å; T554-A557 WeakPolarHBondContact O-CB 3.38Å; T554-A557 PolarHBondContact O-N 2.81Å; T554-A557 VanDerWaalsContact OG1-CB 3.27Å; T554-A557 WeakPolarHBondContact OG1-CB 3.27Å; T554-A557 PolarHBondContact OG1-N 2.89Å; D555-A557 VanDerWaalsContact C-N 3.27Å; D555-A557 PolarHBondContact O-N 3.31Å; A557-C560 PolarHBondContact O-N 3.16Å; A557-L561 WeakPolarHBondContact O-CB 3.05Å; A557-L561 VanDerWaalsContact O-CG 3.24Å; A557-L561 WeakPolarHBondContact O-CG 3.47Å; A557-L561 PolarHBondContact O-N 2.88Å; A557-V607 HydrophobicContact CB-CG1 4.34Å; A557-V612 HydrophobicContact CB-CG2 4Å
558	A	92.5	Very high	89.7	Confident	40 Å²	40	63.2 Å²	63.2	33%	0.331	32%	0.318	S	S	.	.	H	α-helix	trans	-65.5	-43.7	176.6	0	0	0	0	0	111.9	T554 D555 C560 L561 V562	T554-A558 PolarHBondContact O-N 3.12Å; D555-A558 WeakPolarHBondContact O-CA 3.23Å; D555-A558 WeakPolarHBondContact O-CB 3.44Å; D555-A558 PolarHBondContact O-N 3.14Å; A558-C560 PolarHBondContact O-N 3.18Å; A558-L561 WeakPolarHBondContact O-CB 3.31Å; A558-L561 PolarHBondContact O-N 3.49Å; A558-V562 WeakPolarHBondContact O-CG2 3.21Å; A558-V562 PolarHBondContact O-N 2.99Å
559	E	93.8	Very high	89.8	Confident	141 Å²	141	64.6 Å²	64.6	66%	0.659	32%	0.321	S	S	*	.	H	α-helix	trans	-59.9	-46.6	174.1	-71	174.3	-179.7	0	0	111.2	D555 L561 V562 E563	D555-E559 PolarHBondContact O-N 3.46Å; E559-L561 VanDerWaalsContact C-N 3.31Å; E559-L561 PolarHBondContact O-N 3.13Å; E559-V562 PolarHBondContact O-N 2.88Å; E559-V562 VanDerWaalsContact O-N 3.15Å; E559-E563 PolarHBondContact O-N 3.46Å
560	C	92.2	Very high	89.8	Confident	11 Å²	11	68 Å²	68	7%	0.074	34%	0.34	C	S	.	.	H	α-helix	trans	-63.6	-34.5	177.2	-170.7	0	0	0	0	112.7	A556 A557 A558 N564 V609 V612	A556-C560 WeakPolarHBondContact O-CB 3.18Å; A556-C560 PolarHBondContact O-N 2.87Å; A557-C560 PolarHBondContact O-N 3.16Å; A558-C560 PolarHBondContact O-N 3.18Å; C560-N564 VanDerWaalsContact O-CB 3.32Å; C560-N564 WeakPolarHBondContact O-CB 3.5Å; C560-N564 VanDerWaalsContact O-CG 3.26Å; C560-N564 PolarHBondContact O-N 3.47Å; C560-N564 PolarHBondContact O-ND2 2.63Å; C560-N564 PolarHBondContact SG-ND2 3.3Å; C560-V609 HydrophobicContact CB-CG1 4.23Å; C560-V612 HydrophobicContact CB-CG1 4.41Å
561	L	93.3	Very high	89.3	Confident	6 Å²	6	63.1 Å²	63.1	3%	0.031	32%	0.322	C	S	.	.	H	α-helix	trans	-63.7	-43.9	173.4	-77.3	166.3	0	0	0	111.4	L553 A557 A558 E559 Y565 L591 I592 V612	L553-L561 HydrophobicContact CD2-CD1 3.95Å; A557-L561 WeakPolarHBondContact O-CB 3.05Å; A557-L561 VanDerWaalsContact O-CG 3.24Å; A557-L561 WeakPolarHBondContact O-CG 3.47Å; A557-L561 PolarHBondContact O-N 2.88Å; A558-L561 WeakPolarHBondContact O-CB 3.31Å; A558-L561 PolarHBondContact O-N 3.49Å; E559-L561 VanDerWaalsContact C-N 3.31Å; E559-L561 PolarHBondContact O-N 3.13Å; L561-Y565 VanDerWaalsContact O-CB 3.25Å; L561-Y565 WeakPolarHBondContact O-CB 3.44Å; L561-Y565 PolarHBondContact O-N 3.3Å; L561-L591 HydrophobicContact CD2-CB 4.41Å; L561-L591 HydrophobicContact CD2-CD2 3.54Å; L561-L591 HydrophobicContact CD2-CG 3.54Å; L561-I592 HydrophobicContact CD1-CG1 3.98Å; L561-V612 HydrophobicContact CD1-CG2 4.45Å; L561-V612 HydrophobicContact CD2-CB 4.45Å; L561-V612 HydrophobicContact CD2-CG1 3.58Å; L561-V612 HydrophobicContact CD2-CG2 4.12Å; L561-V612 HydrophobicContact CG-CG1 3.8Å; L561-V612 HydrophobicContact CG-CG2 3.98Å
562	V	92.5	Very high	88.5	Confident	75 Å²	75	63.9 Å²	63.9	46%	0.455	33%	0.325	S	S	.	.	H	α-helix	trans	-66	-43.8	178.4	174	0	0	0	0	110.9	A558 E559 Y565 K566	A558-V562 WeakPolarHBondContact O-CG2 3.21Å; A558-V562 PolarHBondContact O-N 2.99Å; E559-V562 PolarHBondContact O-N 2.88Å; E559-V562 VanDerWaalsContact O-N 3.15Å; V562-Y565 PolarHBondContact O-N 2.95Å; V562-K566 HydrophobicContact CG1-CD 4.48Å; V562-K566 WeakPolarHBondContact O-CG 3.43Å; V562-K566 PolarHBondContact O-N 3.09Å
563	E	91.7	Very high	87.7	Confident	78 Å²	78	65 Å²	65	36%	0.364	33%	0.328	S	S	.	.	H	α-helix	trans	-61.2	-49.1	176.8	-170.8	-168.7	168.8	0	0	111.5	E559 Y565 K566 R567	E559-E563 PolarHBondContact O-N 3.46Å; E563-Y565 VanDerWaalsContact C-N 3.26Å; E563-Y565 PolarHBondContact O-N 3.03Å; E563-K566 PolarHBondContact O-N 3Å; E563-R567 PolarHBondContact O-N 3.1Å; E563-R567 IonicContact OE1-CZ 3.64Å; E563-R567 IonicContact OE1-NH1 3.49Å; E563-R567 PolarHBondContact OE1-NH1 3.23Å; E563-R567 IonicContact OE1-NH2 3.22Å; E563-R567 PolarHBondContact OE1-NH2 3.36Å
564	N	88.3	Confident	86.6	Confident	30 Å²	30	66.1 Å²	66.1	16%	0.16	35%	0.345	C	S	.	.	H	α-helix	trans	-62.9	-35.1	176.9	-74.6	-39.6	0	0	0	112	C560 R567 L568	C560-N564 VanDerWaalsContact O-CB 3.32Å; C560-N564 WeakPolarHBondContact O-CB 3.5Å; C560-N564 VanDerWaalsContact O-CG 3.26Å; C560-N564 PolarHBondContact O-N 3.47Å; C560-N564 PolarHBondContact O-ND2 2.63Å; C560-N564 PolarHBondContact SG-ND2 3.3Å; N564-R567 PolarHBondContact O-N 2.93Å; N564-L568 VanDerWaalsContact O-CB 3.29Å; N564-L568 WeakPolarHBondContact O-CB 3.47Å; N564-L568 PolarHBondContact O-N 3.1Å
565	Y	89.1	Confident	85.1	Confident	22 Å²	22	65.5 Å²	65.5	9%	0.086	34%	0.344	C	S	.	.	H	α-helix	trans	-68.5	-40.5	175.7	-174.8	-114	0	0	0	113	L561 V562 E563 L568 R569 I583 T584 V585 L588	L561-Y565 VanDerWaalsContact O-CB 3.25Å; L561-Y565 WeakPolarHBondContact O-CB 3.44Å; L561-Y565 PolarHBondContact O-N 3.3Å; V562-Y565 PolarHBondContact O-N 2.95Å; E563-Y565 VanDerWaalsContact C-N 3.26Å; E563-Y565 PolarHBondContact O-N 3.03Å; Y565-L568 PolarHBondContact O-N 3.38Å; Y565-R569 HydrophobicContact CE1-CG 4.26Å; Y565-R569 HydrophobicContact CE2-CG 4.38Å; Y565-R569 PolarHBondContact O-N 3.46Å; Y565-R569 PolarHBondContact OH-NE 3.45Å; Y565-R569 PolarHBondContact OH-NH2 3.16Å; Y565-I583 HydrophobicContact CE2-CG2 4.3Å; Y565-T584 PolarHBondContact OH-O 2.87Å; Y565-V585 VanDerWaalsContact OH-CA 3.29Å; Y565-V585 WeakPolarHBondContact OH-CA 3.23Å; Y565-V585 PolarHBondContact OH-N 3.16Å; Y565-L588 HydrophobicContact CD1-CD2 4.31Å; Y565-L588 HydrophobicContact CD2-CB 3.83Å; Y565-L588 HydrophobicContact CD2-CD1 4.23Å; Y565-L588 HydrophobicContact CD2-CG 4.49Å; Y565-L588 HydrophobicContact CE1-CD2 4.49Å; Y565-L588 HydrophobicContact CE2-CB 3.81Å; Y565-L588 HydrophobicContact CG-CB 4.29Å; Y565-L588 HydrophobicContact CG-CD1 4.08Å; Y565-L588 HydrophobicContact CG-CD2 4.42Å
566	K	89.1	Confident	83.2	Confident	135 Å²	135	62.9 Å²	62.9	59%	0.587	34%	0.341	S	S	*	.	H	α-helix	trans	-59.9	-49.1	172.4	-74.6	179.2	179.9	-177.7	0	110.4	V562 E563 L568 R569 L570	V562-K566 HydrophobicContact CG1-CD 4.48Å; V562-K566 WeakPolarHBondContact O-CG 3.43Å; V562-K566 PolarHBondContact O-N 3.09Å; E563-K566 PolarHBondContact O-N 3Å; K566-L568 VanDerWaalsContact C-N 3.33Å; K566-L568 PolarHBondContact O-N 3.32Å; K566-R569 PolarHBondContact O-N 3.47Å; K566-L570 VanDerWaalsContact O-CG 3.31Å; K566-L570 WeakPolarHBondContact O-CG 3.36Å; K566-L570 PolarHBondContact O-N 2.87Å
567	R	86.2	Confident	81.3	Confident	112 Å²	112	65.7 Å²	65.7	42%	0.423	36%	0.358	S	S	.	.	H	α-helix	trans	-56.7	-45.6	175.1	-73.9	-174.1	174.7	126.1	3.9	112.1	E563 N564 R569 L570 R571	E563-R567 PolarHBondContact O-N 3.1Å; E563-R567 IonicContact OE1-CZ 3.64Å; E563-R567 IonicContact OE1-NH1 3.49Å; E563-R567 PolarHBondContact OE1-NH1 3.23Å; E563-R567 IonicContact OE1-NH2 3.22Å; E563-R567 PolarHBondContact OE1-NH2 3.36Å; N564-R567 PolarHBondContact O-N 2.93Å; R567-R569 PolarHBondContact O-N 3.29Å; R567-L570 PolarHBondContact O-N 2.76Å; R567-R571 PolarHBondContact O-N 3.17Å; R567-R571 VanDerWaalsContact O-N 3.08Å
568	L	83.1	Confident	79.4	Confident	11 Å²	11	68.3 Å²	68.3	6%	0.058	38%	0.375	C	S	.	.	H	α-helix	trans	-58.7	-45.4	178.3	-167.3	86.5	0	0	0	111.5	N564 Y565 K566 D572 I583 Q587 L619 N620 I623	N564-L568 VanDerWaalsContact O-CB 3.29Å; N564-L568 WeakPolarHBondContact O-CB 3.47Å; N564-L568 PolarHBondContact O-N 3.1Å; Y565-L568 PolarHBondContact O-N 3.38Å; K566-L568 VanDerWaalsContact C-N 3.33Å; K566-L568 PolarHBondContact O-N 3.32Å; L568-D572 PolarHBondContact O-N 2.81Å; L568-I583 HydrophobicContact CD1-CD1 4.32Å; L568-I583 HydrophobicContact CD2-CB 4.46Å; L568-I583 HydrophobicContact CD2-CD1 4.02Å; L568-I583 HydrophobicContact CD2-CG1 4.18Å; L568-I583 HydrophobicContact CD2-CG2 3.45Å; L568-I583 VanDerWaalsContact CD2-CG2 3.45Å; L568-I583 HydrophobicContact CG-CD1 3.65Å; L568-I583 HydrophobicContact CG-CG1 4.35Å; L568-I583 HydrophobicContact CG-CG2 4.09Å; L568-I583 WeakPolarHBondContact O-CD1 3.38Å; L568-Q587 HydrophobicContact CD2-CB 4.39Å; L568-L619 HydrophobicContact CD2-CD2 4.4Å; L568-N620 VanDerWaalsContact CD1-OD1 3.27Å; L568-N620 WeakPolarHBondContact CD1-OD1 3.48Å; L568-I623 HydrophobicContact CD1-CD1 4.1Å
569	R	82.6	Confident	77.7	Confident	107 Å²	107	68.3 Å²	68.3	40%	0.404	37%	0.373	S	S	.	.	H	α-helix	trans	-69.3	-38.7	177.6	-79.5	-169	172.1	-169.6	4.6	113.6	Y565 K566 R567 R571 D572 N573 I583	Y565-R569 HydrophobicContact CE1-CG 4.26Å; Y565-R569 HydrophobicContact CE2-CG 4.38Å; Y565-R569 PolarHBondContact O-N 3.46Å; Y565-R569 PolarHBondContact OH-NE 3.45Å; Y565-R569 PolarHBondContact OH-NH2 3.16Å; K566-R569 PolarHBondContact O-N 3.47Å; R567-R569 PolarHBondContact O-N 3.29Å; R569-R571 VanDerWaalsContact C-N 3.32Å; R569-D572 WeakPolarHBondContact O-CB 3.16Å; R569-D572 PolarHBondContact O-N 3.22Å; R569-N573 PolarHBondContact O-N 3.28Å; R569-I583 HydrophobicContact CG-CG2 4.11Å
570	L	83.5	Confident	76.2	Confident	98 Å²	98	62.8 Å²	62.8	51%	0.513	35%	0.35	S	S	.	.	H	α-helix	trans	-62.5	-43.1	178.1	-73.9	168.7	0	0	0	110.8	K566 R567 D572 N573 A574	K566-L570 VanDerWaalsContact O-CG 3.31Å; K566-L570 WeakPolarHBondContact O-CG 3.36Å; K566-L570 PolarHBondContact O-N 2.87Å; R567-L570 PolarHBondContact O-N 2.76Å; L570-D572 VanDerWaalsContact C-N 3.3Å; L570-D572 PolarHBondContact O-N 2.72Å; L570-N573 PolarHBondContact O-N 2.81Å; L570-A574 PolarHBondContact O-N 3.5Å
571	R	76	Confident	75	Confident	70 Å²	70	64 Å²	64	26%	0.264	35%	0.353	S	S	.	.	H	α-helix	trans	-60.4	-38.6	174.3	-168.1	180	67.5	-156.5	-4.9	112.5	R567 R569 A574 A575 N620	R567-R571 PolarHBondContact O-N 3.17Å; R567-R571 VanDerWaalsContact O-N 3.08Å; R569-R571 VanDerWaalsContact C-N 3.32Å; R571-A574 PolarHBondContact O-N 3.08Å; R571-A575 WeakPolarHBondContact O-CB 3.42Å; R571-A575 PolarHBondContact O-N 3.46Å; R571-N620 PolarHBondContact NH1-OD1 3.03Å; R571-N620 VanDerWaalsContact NH1-OD1 3.12Å; R571-N620 PolarHBondContact NH2-OD1 3.46Å
572	D	73.4	Confident	74	Confident	23 Å²	23	73.7 Å²	73.7	12%	0.123	39%	0.389	C	S	.	.	H	α-helix	trans	-65.7	-39.2	176.7	-154	35.9	0	0	0	112.2	L568 R569 L570 A575 A576 S579 I583	L568-D572 PolarHBondContact O-N 2.81Å; R569-D572 WeakPolarHBondContact O-CB 3.16Å; R569-D572 PolarHBondContact O-N 3.22Å; L570-D572 VanDerWaalsContact C-N 3.3Å; L570-D572 PolarHBondContact O-N 2.72Å; D572-A575 CarbonylContact O-C 3.57Å; D572-A575 PolarHBondContact O-N 2.9Å; D572-A576 PolarHBondContact O-N 2.9Å; D572-A576 VanDerWaalsContact O-N 3.16Å; D572-S579 WeakPolarHBondContact OD1-CB 3.29Å; D572-S579 PolarHBondContact OD1-OG 3.38Å; D572-I583 HydrophobicContact CB-CB 4.33Å; D572-I583 HydrophobicContact CB-CD1 3.64Å; D572-I583 HydrophobicContact CB-CG1 4.34Å; D572-I583 PolarHBondContact OD2-N 2.9Å
573	N	72.5	Confident	73.3	Confident	121 Å²	121	71 Å²	71	65%	0.647	37%	0.372	S	S	*	.	H	α-helix	trans	-67.6	-40.9	177.6	-76.2	-12.5	0	0	0	111.9	R569 L570 A576	R569-N573 PolarHBondContact O-N 3.28Å; L570-N573 PolarHBondContact O-N 2.81Å; N573-A576 WeakPolarHBondContact O-CB 3.27Å; N573-A576 PolarHBondContact O-N 2.93Å
574	A	66	Low	72.9	Confident	76 Å²	76	69.8 Å²	69.8	63%	0.628	37%	0.37	S	S	*	.	H	α-helix	trans	-66	-41.2	175.1	0	0	0	0	0	111.1	L570 R571 A576	L570-A574 PolarHBondContact O-N 3.5Å; R571-A574 PolarHBondContact O-N 3.08Å; A574-A576 VanDerWaalsContact C-N 3.27Å; A574-A576 PolarHBondContact O-N 3.15Å
575	A	61.2	Low	72.8	Confident	30 Å²	30	72.2 Å²	72.2	25%	0.248	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	22.5	179.5	0	0	0	0	0	113.8	R571 D572 S577 C578 S579	R571-A575 WeakPolarHBondContact O-CB 3.42Å; R571-A575 PolarHBondContact O-N 3.46Å; D572-A575 CarbonylContact O-C 3.57Å; D572-A575 PolarHBondContact O-N 2.9Å; A575-S577 PolarHBondContact O-N 3.43Å; A575-C578 CarbonylContact O-C 3.54Å; A575-C578 PolarHBondContact O-N 2.96Å; A575-S579 PolarHBondContact O-N 3.27Å; A575-S579 PolarHBondContact O-OG 3.44Å
576	A	54.7	Low	72.6	Confident	80 Å²	80	74.8 Å²	74.8	66%	0.661	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-22.7	-171.3	0	0	0	0	0	115	D572 N573 A574	D572-A576 PolarHBondContact O-N 2.9Å; D572-A576 VanDerWaalsContact O-N 3.16Å; N573-A576 WeakPolarHBondContact O-CB 3.27Å; N573-A576 PolarHBondContact O-N 2.93Å; A574-A576 VanDerWaalsContact C-N 3.27Å; A574-A576 PolarHBondContact O-N 3.15Å
577	S	53.2	Low	72.5	Confident	114 Å²	114	68.4 Å²	68.4	80%	0.797	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-20.6	172.7	53	0	0	0	0	114.8	A575	A575-S577 PolarHBondContact O-N 3.43Å
578	C	53.6	Low	72.7	Confident	55 Å²	55	65 Å²	65	37%	0.372	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	-19.9	-166.2	-63.2	0	0	0	0	113.8	A575 S580	A575-C578 CarbonylContact O-C 3.54Å; A575-C578 PolarHBondContact O-N 2.96Å; C578-S580 PolarHBondContact O-N 2.69Å
579	S	56.7	Low	73	Confident	40 Å²	40	68.3 Å²	68.3	28%	0.28	37%	0.372	S	S	.	.			trans	-69.1	118.7	178.7	60.6	0	0	0	0	110.2	D572 A575 W581	D572-S579 WeakPolarHBondContact OD1-CB 3.29Å; D572-S579 PolarHBondContact OD1-OG 3.38Å; A575-S579 PolarHBondContact O-N 3.27Å; A575-S579 PolarHBondContact O-OG 3.44Å; S579-W581 PolarHBondContact O-N 3.02Å; S579-W581 VanDerWaalsContact O-N 3.1Å
580	S	61.5	Low	73.4	Confident	24 Å²	24	63.2 Å²	63.2	17%	0.168	35%	0.353	C	S	.	.	S	Bend	trans	-65.3	-12.8	-178.2	64.7	0	0	0	0	114	C578	C578-S580 PolarHBondContact O-N 2.69Å
581	W	67.7	Low	73.8	Confident	37 Å²	37	58.9 Å²	58.9	14%	0.14	33%	0.33	C	S	.	.	S	Bend	trans	-158.4	133.9	-172.3	179.6	45	0	0	0	112.3	F500 S579 Q587 I623	F500-W581 HydrophobicContact CD2-CH2 4.23Å; F500-W581 HydrophobicContact CD2-CZ3 4.41Å; F500-W581 HydrophobicContact CE2-CH2 4.14Å; F500-W581 HydrophobicContact CE2-CZ2 4.27Å; S579-W581 PolarHBondContact O-N 3.02Å; S579-W581 VanDerWaalsContact O-N 3.1Å; W581-Q587 HydrophobicContact CH2-CG 4.12Å; W581-Q587 VanDerWaalsContact CH2-OE1 3.27Å; W581-Q587 HydrophobicContact CZ2-CG 4.48Å; W581-Q587 HydrophobicContact CZ3-CG 4.38Å; W581-I623 HydrophobicContact CE3-CG1 4.2Å; W581-I623 HydrophobicContact CZ3-CD1 4.39Å; W581-I623 HydrophobicContact CZ3-CG1 4.1Å
582	R	70.9	Confident	74.6	Confident	210 Å²	210	57.5 Å²	57.5	79%	0.792	33%	0.328	S	S	*	.			trans	-74.3	130	177.6	-67.9	-176.8	179.8	165	-1.4	111.7
583	I	78.2	Confident	75.6	Confident	18 Å²	18	57.6 Å²	57.6	9%	0.092	33%	0.327	C	S	.	.			trans	-82	119.6	178.9	-70.6	159.7	0	0	0	110.4	Y565 L568 R569 D572 Q587	Y565-I583 HydrophobicContact CE2-CG2 4.3Å; L568-I583 HydrophobicContact CD1-CD1 4.32Å; L568-I583 HydrophobicContact CD2-CB 4.46Å; L568-I583 HydrophobicContact CD2-CD1 4.02Å; L568-I583 HydrophobicContact CD2-CG1 4.18Å; L568-I583 HydrophobicContact CD2-CG2 3.45Å; L568-I583 VanDerWaalsContact CD2-CG2 3.45Å; L568-I583 HydrophobicContact CG-CD1 3.65Å; L568-I583 HydrophobicContact CG-CG1 4.35Å; L568-I583 HydrophobicContact CG-CG2 4.09Å; L568-I583 WeakPolarHBondContact O-CD1 3.38Å; R569-I583 HydrophobicContact CG-CG2 4.11Å; D572-I583 HydrophobicContact CB-CB 4.33Å; D572-I583 HydrophobicContact CB-CD1 3.64Å; D572-I583 HydrophobicContact CB-CG1 4.34Å; D572-I583 PolarHBondContact OD2-N 2.9Å; I583-Q587 HydrophobicContact CG2-CB 4.42Å; I583-Q587 HydrophobicContact CG2-CG 4.47Å
584	T	82.5	Confident	76.6	Confident	52 Å²	52	51.9 Å²	51.9	32%	0.319	30%	0.296	S	S	.	.			trans	-113	177.3	-178.2	63.4	0	0	0	0	112	Y565 R586 Q587	Y565-T584 PolarHBondContact OH-O 2.87Å; T584-R586 PolarHBondContact O-N 3.04Å; T584-Q587 PolarHBondContact O-N 3.38Å
585	V	86.9	Confident	78	Confident	81 Å²	81	48.2 Å²	48.2	49%	0.491	27%	0.266	S	S	.	.	H	α-helix	trans	-60.7	-28	173.9	-179	0	0	0	0	111.7	Y565 Q587 L588 E589	Y565-V585 VanDerWaalsContact OH-CA 3.29Å; Y565-V585 WeakPolarHBondContact OH-CA 3.23Å; Y565-V585 PolarHBondContact OH-N 3.16Å; V585-Q587 PolarHBondContact O-N 2.94Å; V585-L588 VanDerWaalsContact O-CB 3.28Å; V585-L588 WeakPolarHBondContact O-CB 3.48Å; V585-L588 PolarHBondContact O-N 3.48Å; V585-E589 PolarHBondContact O-N 3.27Å
586	R	86	Confident	79.5	Confident	77 Å²	77	47 Å²	47	29%	0.291	26%	0.255	S	S	.	.	H	α-helix	trans	-59.1	-31.2	176.7	-68.8	173.5	176.4	168.2	-0.7	112.7	E445 S495 R496 T584 L588 E589 S590	E445-R586 IonicContact OE2-NH2 2.87Å; S495-R586 WeakPolarHBondContact OG-CD 3.46Å; S495-R586 PolarHBondContact OG-NH1 3.48Å; R496-R586 VanDerWaalsContact NH2-NH2 3.12Å; T584-R586 PolarHBondContact O-N 3.04Å; R586-L588 VanDerWaalsContact C-N 3.29Å; R586-L588 PolarHBondContact O-N 3.03Å; R586-E589 WeakPolarHBondContact O-CB 3.47Å; R586-E589 PolarHBondContact O-N 2.8Å; R586-S590 PolarHBondContact O-N 3.09Å; R586-S590 PolarHBondContact O-OG 3.28Å
587	Q	86.3	Confident	81.3	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-67.5	-30.3	175.6	-63.4	-50.2	-57.4	0	0	112.9	L568 W581 I583 T584 V585 S590 L591	L568-Q587 HydrophobicContact CD2-CB 4.39Å; W581-Q587 HydrophobicContact CH2-CG 4.12Å; W581-Q587 VanDerWaalsContact CH2-OE1 3.27Å; W581-Q587 HydrophobicContact CZ2-CG 4.48Å; W581-Q587 HydrophobicContact CZ3-CG 4.38Å; I583-Q587 HydrophobicContact CG2-CB 4.42Å; I583-Q587 HydrophobicContact CG2-CG 4.47Å; T584-Q587 PolarHBondContact O-N 3.38Å; V585-Q587 PolarHBondContact O-N 2.94Å; Q587-S590 PolarHBondContact O-N 3.25Å; Q587-L591 WeakPolarHBondContact O-CB 3.26Å; Q587-L591 PolarHBondContact O-N 3.43Å
588	L	90.6	Very high	83.3	Confident	39 Å²	39	38.1 Å²	38.1	20%	0.204	19%	0.188	C	C	.	.	H	α-helix	trans	-67.4	-41.6	171.8	-179.6	60.3	0	0	0	110.7	Y565 V585 R586 L591 I592	Y565-L588 HydrophobicContact CD1-CD2 4.31Å; Y565-L588 HydrophobicContact CD2-CB 3.83Å; Y565-L588 HydrophobicContact CD2-CD1 4.23Å; Y565-L588 HydrophobicContact CD2-CG 4.49Å; Y565-L588 HydrophobicContact CE1-CD2 4.49Å; Y565-L588 HydrophobicContact CE2-CB 3.81Å; Y565-L588 HydrophobicContact CG-CB 4.29Å; Y565-L588 HydrophobicContact CG-CD1 4.08Å; Y565-L588 HydrophobicContact CG-CD2 4.42Å; V585-L588 VanDerWaalsContact O-CB 3.28Å; V585-L588 WeakPolarHBondContact O-CB 3.48Å; V585-L588 PolarHBondContact O-N 3.48Å; R586-L588 VanDerWaalsContact C-N 3.29Å; R586-L588 PolarHBondContact O-N 3.03Å; L588-L591 PolarHBondContact O-N 2.85Å; L588-I592 HydrophobicContact CG-CD1 4.32Å; L588-I592 WeakPolarHBondContact O-CG1 3.48Å; L588-I592 PolarHBondContact O-N 2.81Å
589	E	89.3	Confident	85.1	Confident	81 Å²	81	35.5 Å²	35.5	38%	0.379	17%	0.17	S	C	.	.	H	α-helix	trans	-62	-43.7	174.1	-60.4	179.7	-175.7	0	0	111.7	V585 R586 L591 I592 R593	V585-E589 PolarHBondContact O-N 3.27Å; R586-E589 WeakPolarHBondContact O-CB 3.47Å; R586-E589 PolarHBondContact O-N 2.8Å; E589-L591 VanDerWaalsContact C-N 3.33Å; E589-L591 PolarHBondContact O-N 2.74Å; E589-I592 PolarHBondContact O-N 3.1Å; E589-R593 WeakPolarHBondContact O-CG 3.14Å; E589-R593 PolarHBondContact O-N 3.44Å; E589-R593 IonicContact OE2-NH2 2.71Å; E589-R593 PolarHBondContact OE2-NH2 3.26Å; E589-R593 VanDerWaalsContact OE2-NH2 3.14Å
590	S	90.6	Very high	86.8	Confident	1 Å²	1	34 Å²	34	1%	0.007	16%	0.158	C	C	.	.	H	α-helix	trans	-57.8	-45.4	174.1	-56.5	0	0	0	0	111.5	D498 R586 Q587 I592 R593 L594	D498-S590 VanDerWaalsContact OD1-CB 3.26Å; D498-S590 WeakPolarHBondContact OD1-CB 3.43Å; D498-S590 PolarHBondContact OD1-OG 2.82Å; R586-S590 PolarHBondContact O-N 3.09Å; R586-S590 PolarHBondContact O-OG 3.28Å; Q587-S590 PolarHBondContact O-N 3.25Å; S590-I592 VanDerWaalsContact C-N 3.33Å; S590-I592 PolarHBondContact O-N 2.7Å; S590-R593 PolarHBondContact O-N 3.05Å; S590-L594 WeakPolarHBondContact O-CB 3.45Å; S590-L594 VanDerWaalsContact O-CG 3.31Å; S590-L594 WeakPolarHBondContact O-CG 3.27Å; S590-L594 PolarHBondContact O-N 2.77Å
591	L	92.3	Very high	88.2	Confident	6 Å²	6	32.9 Å²	32.9	3%	0.031	15%	0.151	C	C	.	.	H	α-helix	trans	-62.1	-39.8	177.6	-173.8	64.4	0	0	0	111.9	L561 Q587 L588 E589 S595 A615 A616 L619	L561-L591 HydrophobicContact CD2-CB 4.41Å; L561-L591 HydrophobicContact CD2-CD2 3.54Å; L561-L591 HydrophobicContact CD2-CG 3.54Å; Q587-L591 WeakPolarHBondContact O-CB 3.26Å; Q587-L591 PolarHBondContact O-N 3.43Å; L588-L591 PolarHBondContact O-N 2.85Å; E589-L591 VanDerWaalsContact C-N 3.33Å; E589-L591 PolarHBondContact O-N 2.74Å; L591-S595 WeakPolarHBondContact O-CB 3.47Å; L591-S595 PolarHBondContact O-N 2.91Å; L591-S595 PolarHBondContact O-OG 2.71Å; L591-A615 HydrophobicContact CD1-CB 3.95Å; L591-A616 HydrophobicContact CD1-CB 4.09Å; L591-L619 HydrophobicContact CB-CD2 4.39Å; L591-L619 HydrophobicContact CD1-CD2 4.24Å
592	I	93.4	Very high	89.3	Confident	42 Å²	42	33.9 Å²	33.9	22%	0.215	16%	0.157	C	C	.	.	H	α-helix	trans	-62.8	-49.3	173.9	-68.2	163.5	0	0	0	110.5	L553 L561 L588 E589 S590 L594 S595 E596	L553-I592 HydrophobicContact CD1-CG2 4.16Å; L561-I592 HydrophobicContact CD1-CG1 3.98Å; L588-I592 HydrophobicContact CG-CD1 4.32Å; L588-I592 WeakPolarHBondContact O-CG1 3.48Å; L588-I592 PolarHBondContact O-N 2.81Å; E589-I592 PolarHBondContact O-N 3.1Å; S590-I592 VanDerWaalsContact C-N 3.33Å; S590-I592 PolarHBondContact O-N 2.7Å; I592-L594 VanDerWaalsContact C-N 3.35Å; I592-L594 PolarHBondContact O-N 2.96Å; I592-S595 PolarHBondContact O-N 3Å; I592-E596 HydrophobicContact CG2-CG 4.46Å; I592-E596 WeakPolarHBondContact O-CG 3.25Å; I592-E596 PolarHBondContact O-N 3.22Å
593	R	93.2	Very high	90.1	Very high	25 Å²	25	24 Å²	24	9%	0.094	12%	0.12	C	C	.	.	H	α-helix	trans	-59.2	-43.7	178.6	-68.7	175.3	-167.9	131.8	12.9	112	R354 I357 D498 E589 S590 E596 A597	R354-R593 PolarHBondContact O-NE 3.17Å; R354-R593 PolarHBondContact O-NH2 3.27Å; I357-R593 HydrophobicContact CG1-CB 4.06Å; D498-R593 IonicContact OD1-NH1 2.83Å; D498-R593 PolarHBondContact OD1-NH1 3.03Å; E589-R593 WeakPolarHBondContact O-CG 3.14Å; E589-R593 PolarHBondContact O-N 3.44Å; E589-R593 IonicContact OE2-NH2 2.71Å; E589-R593 PolarHBondContact OE2-NH2 3.26Å; E589-R593 VanDerWaalsContact OE2-NH2 3.14Å; S590-R593 PolarHBondContact O-N 3.05Å; R593-E596 PolarHBondContact O-N 3.39Å; R593-A597 WeakPolarHBondContact O-CB 3.42Å; R593-A597 PolarHBondContact O-N 3.33Å
594	L	93.9	Very high	90.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.4	-43.3	176.7	-71.8	168.5	0	0	0	111.4	L337 I357 L499 S590 I592 E596 A597 V598 A615 L618	L337-L594 HydrophobicContact CB-CD2 4.4Å; L337-L594 HydrophobicContact CD1-CD2 3.95Å; I357-L594 HydrophobicContact CD1-CD2 3.93Å; I357-L594 HydrophobicContact CG2-CD2 4.17Å; L499-L594 HydrophobicContact CD1-CD2 3.85Å; L499-L594 HydrophobicContact CD2-CD1 3.89Å; L499-L594 HydrophobicContact CG-CD1 4.31Å; L499-L594 HydrophobicContact CG-CD2 4.27Å; S590-L594 WeakPolarHBondContact O-CB 3.45Å; S590-L594 VanDerWaalsContact O-CG 3.31Å; S590-L594 WeakPolarHBondContact O-CG 3.27Å; S590-L594 PolarHBondContact O-N 2.77Å; I592-L594 VanDerWaalsContact C-N 3.35Å; I592-L594 PolarHBondContact O-N 2.96Å; L594-E596 VanDerWaalsContact C-N 3.33Å; L594-E596 PolarHBondContact O-N 2.85Å; L594-A597 PolarHBondContact O-N 3.01Å; L594-V598 VanDerWaalsContact O-CG2 3.31Å; L594-V598 WeakPolarHBondContact O-CG2 3.09Å; L594-V598 PolarHBondContact O-N 3.27Å; L594-A615 HydrophobicContact CB-CB 3.85Å; L594-L618 HydrophobicContact CD2-CD2 4.49Å
595	S	94.4	Very high	90.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.8	-40	177.5	-56.9	0	0	0	0	112	L591 I592 A599	L591-S595 WeakPolarHBondContact O-CB 3.47Å; L591-S595 PolarHBondContact O-N 2.91Å; L591-S595 PolarHBondContact O-OG 2.71Å; I592-S595 PolarHBondContact O-N 3Å; S595-A599 WeakPolarHBondContact O-CB 2.81Å; S595-A599 PolarHBondContact O-N 2.88Å
596	E	93.4	Very high	91.1	Very high	3 Å²	3	31 Å²	31	1%	0.014	15%	0.148	C	C	.	.	H	α-helix	trans	-66.2	-41.9	173.4	-71	174.6	176.8	0	0	111.8	V343 K345 P551 I592 R593 L594 A599 K600 V607	V343-E596 WeakPolarHBondContact CB-OE2 3.41Å; V343-E596 HydrophobicContact CG2-CB 4.36Å; V343-E596 HydrophobicContact CG2-CG 4.4Å; V343-E596 PolarHBondContact N-OE2 3.24Å; K345-E596 VanDerWaalsContact CE-OE1 3.31Å; K345-E596 WeakPolarHBondContact CE-OE1 3.41Å; K345-E596 IonicContact NZ-OE1 3.73Å; K345-E596 PolarHBondContact NZ-OE1 2.76Å; P551-E596 HydrophobicContact CG-CB 4.06Å; P551-E596 HydrophobicContact CG-CG 4.32Å; I592-E596 HydrophobicContact CG2-CG 4.46Å; I592-E596 WeakPolarHBondContact O-CG 3.25Å; I592-E596 PolarHBondContact O-N 3.22Å; R593-E596 PolarHBondContact O-N 3.39Å; L594-E596 VanDerWaalsContact C-N 3.33Å; L594-E596 PolarHBondContact O-N 2.85Å; E596-A599 WeakPolarHBondContact O-CB 3.21Å; E596-A599 PolarHBondContact O-N 2.81Å; E596-K600 WeakPolarHBondContact O-CG 3.45Å; E596-K600 PolarHBondContact O-N 3.21Å; E596-V607 HydrophobicContact CG-CG2 4.36Å
597	A	93.3	Very high	91.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.1	-42.1	177.4	0	0	0	0	0	112.2	L337 I357 R593 L594 A599 K600 L601	L337-A597 HydrophobicContact CB-CB 4.41Å; L337-A597 HydrophobicContact CD2-CB 4.26Å; I357-A597 HydrophobicContact CD1-CB 3.67Å; R593-A597 WeakPolarHBondContact O-CB 3.42Å; R593-A597 PolarHBondContact O-N 3.33Å; L594-A597 PolarHBondContact O-N 3.01Å; A597-A599 VanDerWaalsContact C-N 3.31Å; A597-A599 PolarHBondContact O-N 3.49Å; A597-K600 WeakPolarHBondContact O-CB 3.32Å; A597-K600 PolarHBondContact O-N 2.62Å; A597-L601 PolarHBondContact O-N 3.32Å
598	V	93.7	Very high	91.8	Very high	9 Å²	9	29.6 Å²	29.6	6%	0.055	15%	0.149	C	C	.	.	H	α-helix	trans	-62.5	-40	173	175	0	0	0	0	110.7	L337 L594 L601 H602 H611	L337-V598 HydrophobicContact CD1-CG2 3.96Å; L337-V598 HydrophobicContact CD2-CB 4.43Å; L337-V598 HydrophobicContact CD2-CG2 3.6Å; L337-V598 HydrophobicContact CG-CG2 4.46Å; L594-V598 VanDerWaalsContact O-CG2 3.31Å; L594-V598 WeakPolarHBondContact O-CG2 3.09Å; L594-V598 PolarHBondContact O-N 3.27Å; V598-L601 WeakPolarHBondContact O-CB 3.4Å; V598-L601 PolarHBondContact O-N 3.36Å; V598-H602 PolarHBondContact O-CD2 2.66Å; V598-H602 PolarHBondContact O-N 2.92Å; V598-H611 HydrophobicContact CB-CB 4.19Å; V598-H611 HydrophobicContact CG1-CB 3.81Å
599	A	92.9	Very high	92	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.7	-40.1	176.4	0	0	0	0	0	112.4	P551 S595 E596 A597 H602 C603 K604 V607 H611	P551-A599 HydrophobicContact CB-CB 3.84Å; P551-A599 HydrophobicContact CG-CB 4.11Å; S595-A599 WeakPolarHBondContact O-CB 2.81Å; S595-A599 PolarHBondContact O-N 2.88Å; E596-A599 WeakPolarHBondContact O-CB 3.21Å; E596-A599 PolarHBondContact O-N 2.81Å; A597-A599 VanDerWaalsContact C-N 3.31Å; A597-A599 PolarHBondContact O-N 3.49Å; A599-H602 PolarHBondContact O-N 3.13Å; A599-C603 PolarHBondContact O-N 3.36Å; A599-K604 PolarHBondContact O-N 3.2Å; A599-V607 HydrophobicContact CB-CG2 4.06Å; A599-H611 WeakPolarHBondContact CB-ND1 3.34Å
600	K	91.3	Very high	92.2	Very high	7 Å²	7	29.4 Å²	29.4	3%	0.03	16%	0.162	C	C	.	.	H	α-helix	trans	-63.9	-39.4	173.4	-76	177.6	179.3	-175.3	0	112.4	G341 G342 F549 P551 E596 A597 H602 C603	G341-K600 VanDerWaalsContact O-CD 3.23Å; G341-K600 WeakPolarHBondContact O-CD 3.35Å; G341-K600 WeakPolarHBondContact O-CE 3.17Å; G341-K600 PolarHBondContact O-NZ 2.89Å; G342-K600 VanDerWaalsContact C-NZ 3.27Å; G342-K600 PolarHBondContact O-NZ 2.78Å; F549-K600 WeakPolarHBondContact O-CE 3.43Å; P551-K600 HydrophobicContact CG-CG 4.07Å; E596-K600 WeakPolarHBondContact O-CG 3.45Å; E596-K600 PolarHBondContact O-N 3.21Å; A597-K600 WeakPolarHBondContact O-CB 3.32Å; A597-K600 PolarHBondContact O-N 2.62Å; K600-H602 PolarHBondContact O-N 3.46Å; K600-C603 WeakPolarHBondContact O-CA 3.14Å; K600-C603 PolarHBondContact O-N 3.14Å
601	L	91.9	Very high	92.4	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-55.7	-38.9	176	-175.1	151.6	0	0	0	111.6	L313 Y314 L336 L337 F340 Y542 A597 V598 C603	L313-L601 HydrophobicContact CD2-CD2 4.36Å; Y314-L601 HydrophobicContact CD2-CD1 3.47Å; Y314-L601 VanDerWaalsContact CD2-CD1 3.47Å; Y314-L601 HydrophobicContact CD2-CD2 4.31Å; Y314-L601 HydrophobicContact CE2-CD1 3.75Å; L336-L601 HydrophobicContact CD2-CD1 3.81Å; L336-L601 HydrophobicContact CG-CD1 4.13Å; L337-L601 HydrophobicContact CD2-CD1 4.35Å; F340-L601 HydrophobicContact CD2-CB 4.15Å; F340-L601 HydrophobicContact CD2-CD1 4.04Å; F340-L601 HydrophobicContact CD2-CG 4.29Å; F340-L601 HydrophobicContact CE2-CB 3.98Å; F340-L601 HydrophobicContact CE2-CD1 3.56Å; F340-L601 HydrophobicContact CE2-CG 3.68Å; F340-L601 HydrophobicContact CZ-CB 4.25Å; F340-L601 HydrophobicContact CZ-CD1 4.34Å; F340-L601 HydrophobicContact CZ-CG 3.98Å; Y542-L601 PolarHBondContact OH-O 3.21Å; A597-L601 PolarHBondContact O-N 3.32Å; V598-L601 WeakPolarHBondContact O-CB 3.4Å; V598-L601 PolarHBondContact O-N 3.36Å; L601-C603 VanDerWaalsContact C-N 3.31Å
602	H	90.6	Very high	92.5	Very high	59 Å²	59	29.4 Å²	29.4	27%	0.273	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	5.4	175.6	-67.6	-65.3	0	0	0	114.3	V598 A599 K600 K604	V598-H602 PolarHBondContact O-CD2 2.66Å; V598-H602 PolarHBondContact O-N 2.92Å; A599-H602 PolarHBondContact O-N 3.13Å; K600-H602 PolarHBondContact O-N 3.46Å; H602-K604 HydrophobicContact CB-CD 4.16Å; H602-K604 HydrophobicContact CB-CG 4.13Å; H602-K604 PolarHBondContact O-N 3.35Å
603	C	87.1	Confident	92.5	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.02	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	41.6	-173.5	-64.9	0	0	0	0	112.6	Y542 F549 A599 K600 L601	Y542-C603 PolarHBondContact OH-SG 2.94Å; Y542-C603 VanDerWaalsContact OH-SG 3.35Å; F549-C603 HydrophobicContact CD2-CB 4.31Å; F549-C603 HydrophobicContact CE2-CB 3.91Å; F549-C603 HydrophobicContact CZ-CB 4.25Å; A599-C603 PolarHBondContact O-N 3.36Å; K600-C603 WeakPolarHBondContact O-CA 3.14Å; K600-C603 PolarHBondContact O-N 3.14Å; L601-C603 VanDerWaalsContact C-N 3.31Å
604	K	88.2	Confident	92.4	Very high	86 Å²	86	35 Å²	35	37%	0.374	19%	0.185	S	C	.	.			trans	-98.5	139.8	176.4	-71.5	176.8	-179.6	173.9	0	110.2	A599 H602 H611	A599-K604 PolarHBondContact O-N 3.2Å; H602-K604 HydrophobicContact CB-CD 4.16Å; H602-K604 HydrophobicContact CB-CG 4.13Å; H602-K604 PolarHBondContact O-N 3.35Å; K604-H611 PolarHBondContact NZ-NE2 3.16Å
605	S	88.4	Confident	92.3	Very high	77 Å²	77	35 Å²	35	54%	0.538	19%	0.185	S	C	.	.	S	Bend	trans	-84.2	-8.6	177.4	56.3	0	0	0	0	114	P551 V552	P551-S605 CarbonylContact C-O 3.55Å; P551-S605 VanDerWaalsContact CA-O 3.26Å; P551-S605 WeakPolarHBondContact CA-O 3.41Å; V552-S605 PolarHBondContact N-O 3.27Å
606	K	93.1	Very high	92.1	Very high	133 Å²	133	35.5 Å²	35.5	58%	0.578	19%	0.189	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-127.5	137.5	178.1	-63.5	-174.9	-179.6	-174.5	0	109.8	V552 T554	V552-K606 CarbonylContact O-C 3.57Å; V552-K606 WeakPolarHBondContact O-CA 3.45Å; T554-K606 HydrophobicContact CG2-CB 4.05Å; T554-K606 HydrophobicContact CG2-CD 4.29Å
607	V	93.8	Very high	92	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	130.5	172.3	-175.6	0	0	0	0	108.2	P551 V552 L553 T554 A557 E596 A599 H611 V612	P551-V607 HydrophobicContact CB-CG2 3.97Å; V552-V607 PolarHBondContact O-N 3.08Å; L553-V607 HydrophobicContact CD2-CB 3.99Å; L553-V607 HydrophobicContact CD2-CG1 4.12Å; L553-V607 HydrophobicContact CD2-CG2 3.91Å; T554-V607 WeakPolarHBondContact CG2-O 3.38Å; T554-V607 PolarHBondContact OG1-O 2.81Å; A557-V607 HydrophobicContact CB-CG1 4.34Å; E596-V607 HydrophobicContact CG-CG2 4.36Å; A599-V607 HydrophobicContact CB-CG2 4.06Å; V607-H611 HydrophobicContact CG1-CB 4.28Å; V607-V612 HydrophobicContact CG1-CG2 4.08Å
608	T	93.4	Very high	91.8	Very high	50 Å²	50	38.4 Å²	38.4	31%	0.307	20%	0.2	S	C	.	.			trans	-107	162	176.5	62.4	0	0	0	0	110.4	A610 H611 V612	T608-A610 PolarHBondContact O-N 3.16Å; T608-H611 PolarHBondContact N-ND1 2.84Å; T608-H611 WeakPolarHBondContact O-CB 2.94Å; T608-H611 PolarHBondContact O-N 3.12Å; T608-H611 PolarHBondContact OG1-CD2 2.59Å; T608-H611 PolarHBondContact OG1-CE1 3Å; T608-H611 PolarHBondContact OG1-NE2 2.74Å; T608-V612 PolarHBondContact O-N 3.37Å
609	V	94.7	Very high	91.5	Very high	50 Å²	50	38.1 Å²	38.1	30%	0.303	20%	0.198	S	C	.	.	H	α-helix	trans	-55.8	-35.7	176.4	179.4	0	0	0	0	111.9	A556 C560 H611 V612 K613	A556-V609 HydrophobicContact CB-CG2 4.21Å; C560-V609 HydrophobicContact CB-CG1 4.23Å; V609-H611 VanDerWaalsContact C-N 3.3Å; V609-H611 PolarHBondContact O-N 2.66Å; V609-V612 WeakPolarHBondContact O-CB 3.37Å; V609-V612 PolarHBondContact O-N 3.24Å; V609-V612 VanDerWaalsContact O-N 3.16Å; V609-K613 HydrophobicContact CG1-CD 4.34Å; V609-K613 HydrophobicContact CG1-CG 4.31Å; V609-K613 WeakPolarHBondContact O-CG 3.41Å; V609-K613 PolarHBondContact O-N 3.47Å
610	A	92.7	Very high	91	Very high	66 Å²	66	40.5 Å²	40.5	55%	0.545	21%	0.211	S	C	.	.	H	α-helix	trans	-60.4	-37.8	176.4	0	0	0	0	0	112.9	T608 E614	T608-A610 PolarHBondContact O-N 3.16Å; A610-E614 PolarHBondContact O-N 2.96Å; A610-E614 VanDerWaalsContact O-N 3.09Å
611	H	93.9	Very high	90.6	Very high	6 Å²	6	45 Å²	45	3%	0.028	23%	0.231	C	C	.	.	H	α-helix	trans	-69.2	-38	177	-52.1	160.5	0	0	0	111.1	V598 A599 K604 V607 T608 V609 E614 A615	V598-H611 HydrophobicContact CB-CB 4.19Å; V598-H611 HydrophobicContact CG1-CB 3.81Å; A599-H611 WeakPolarHBondContact CB-ND1 3.34Å; K604-H611 PolarHBondContact NZ-NE2 3.16Å; V607-H611 HydrophobicContact CG1-CB 4.28Å; T608-H611 PolarHBondContact N-ND1 2.84Å; T608-H611 WeakPolarHBondContact O-CB 2.94Å; T608-H611 PolarHBondContact O-N 3.12Å; T608-H611 PolarHBondContact OG1-CD2 2.59Å; T608-H611 PolarHBondContact OG1-CE1 3Å; T608-H611 PolarHBondContact OG1-NE2 2.74Å; V609-H611 VanDerWaalsContact C-N 3.3Å; V609-H611 PolarHBondContact O-N 2.66Å; H611-E614 PolarHBondContact O-N 2.98Å; H611-A615 WeakPolarHBondContact O-CB 3.48Å; H611-A615 PolarHBondContact O-N 3.18Å
612	V	94.6	Very high	89.9	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64.8	-45.5	176.6	175.3	0	0	0	0	110.9	A557 C560 L561 V607 T608 V609 E614 A615 A616	A557-V612 HydrophobicContact CB-CG2 4Å; C560-V612 HydrophobicContact CB-CG1 4.41Å; L561-V612 HydrophobicContact CD1-CG2 4.45Å; L561-V612 HydrophobicContact CD2-CB 4.45Å; L561-V612 HydrophobicContact CD2-CG1 3.58Å; L561-V612 HydrophobicContact CD2-CG2 4.12Å; L561-V612 HydrophobicContact CG-CG1 3.8Å; L561-V612 HydrophobicContact CG-CG2 3.98Å; V607-V612 HydrophobicContact CG1-CG2 4.08Å; T608-V612 PolarHBondContact O-N 3.37Å; V609-V612 WeakPolarHBondContact O-CB 3.37Å; V609-V612 PolarHBondContact O-N 3.24Å; V609-V612 VanDerWaalsContact O-N 3.16Å; V612-E614 VanDerWaalsContact C-N 3.34Å; V612-E614 PolarHBondContact O-N 3.45Å; V612-A615 PolarHBondContact O-N 3.49Å; V612-A616 VanDerWaalsContact O-CB 3.3Å; V612-A616 WeakPolarHBondContact O-CB 3.4Å; V612-A616 PolarHBondContact O-N 3.03Å
613	K	93.3	Very high	88.9	Confident	135 Å²	135	43.5 Å²	43.5	59%	0.587	23%	0.225	S	C	*	.	H	α-helix	trans	-60.2	-42.7	176.4	-71.5	-174.2	176.9	-171.4	0	111.8	V609 A616 R617	V609-K613 HydrophobicContact CG1-CD 4.34Å; V609-K613 HydrophobicContact CG1-CG 4.31Å; V609-K613 WeakPolarHBondContact O-CG 3.41Å; V609-K613 PolarHBondContact O-N 3.47Å; K613-A616 PolarHBondContact O-N 3.27Å; K613-R617 WeakPolarHBondContact O-CB 3.35Å; K613-R617 PolarHBondContact O-N 3.42Å
614	E	91.1	Very high	87.5	Confident	50 Å²	50	46 Å²	46	23%	0.234	24%	0.24	C	C	.	.	H	α-helix	trans	-67.5	-41.7	177.2	-178.4	58	-165.5	0	0	112.4	A610 H611 V612 R617 L618	A610-E614 PolarHBondContact O-N 2.96Å; A610-E614 VanDerWaalsContact O-N 3.09Å; H611-E614 PolarHBondContact O-N 2.98Å; V612-E614 VanDerWaalsContact C-N 3.34Å; V612-E614 PolarHBondContact O-N 3.45Å; E614-R617 VanDerWaalsContact CD-NE 3.35Å; E614-R617 WeakPolarHBondContact O-CB 3.39Å; E614-R617 PolarHBondContact O-N 3.46Å; E614-R617 IonicContact OE1-CZ 3.4Å; E614-R617 IonicContact OE1-NE 2.57Å; E614-R617 PolarHBondContact OE1-NE 3.16Å; E614-R617 IonicContact OE1-NH2 3.46Å; E614-R617 PolarHBondContact OE1-NH2 3Å; E614-R617 IonicContact OE2-CZ 3.63Å; E614-R617 IonicContact OE2-NE 2.7Å; E614-R617 PolarHBondContact OE2-NE 2.91Å; E614-R617 IonicContact OE2-NH2 2.63Å; E614-L618 PolarHBondContact O-N 3.1Å
615	A	92.5	Very high	85.8	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.8	-41.9	174.7	0	0	0	0	0	111.8	L591 L594 H611 V612 L618 L619	L591-A615 HydrophobicContact CD1-CB 3.95Å; L594-A615 HydrophobicContact CB-CB 3.85Å; H611-A615 WeakPolarHBondContact O-CB 3.48Å; H611-A615 PolarHBondContact O-N 3.18Å; V612-A615 PolarHBondContact O-N 3.49Å; A615-L618 PolarHBondContact O-N 3.11Å; A615-L619 WeakPolarHBondContact O-CB 3.1Å; A615-L619 PolarHBondContact O-N 3.22Å
616	A	90.6	Very high	84	Confident	10 Å²	10	47.6 Å²	47.6	8%	0.083	24%	0.235	C	C	.	.	H	α-helix	trans	-65.7	-39.7	176	0	0	0	0	0	111.8	L591 V612 K613 L619 N620	L591-A616 HydrophobicContact CD1-CB 4.09Å; V612-A616 VanDerWaalsContact O-CB 3.3Å; V612-A616 WeakPolarHBondContact O-CB 3.4Å; V612-A616 PolarHBondContact O-N 3.03Å; K613-A616 PolarHBondContact O-N 3.27Å; A616-L619 PolarHBondContact O-N 3.21Å; A616-N620 VanDerWaalsContact O-CB 3.32Å; A616-N620 WeakPolarHBondContact O-CB 3.45Å; A616-N620 VanDerWaalsContact O-CG 3.29Å; A616-N620 PolarHBondContact O-N 2.95Å; A616-N620 PolarHBondContact O-ND2 3.12Å
617	R	90.4	Very high	81.8	Confident	63 Å²	63	46.6 Å²	46.6	24%	0.238	23%	0.233	C	C	.	.	H	α-helix	trans	-58.4	-48.3	173.7	-172.5	-166.4	72.1	71.6	9.3	111	E330 K613 E614 N620 K621	E330-R617 IonicContact OE1-CZ 3.42Å; E330-R617 IonicContact OE1-NH1 3.38Å; E330-R617 PolarHBondContact OE1-NH1 3.1Å; E330-R617 IonicContact OE1-NH2 2.74Å; E330-R617 IonicContact OE2-CZ 2.62Å; E330-R617 IonicContact OE2-NH1 3.02Å; E330-R617 PolarHBondContact OE2-NH1 2.8Å; E330-R617 IonicContact OE2-NH2 3.79Å; E330-R617 PolarHBondContact OE2-NH2 2.91Å; K613-R617 WeakPolarHBondContact O-CB 3.35Å; K613-R617 PolarHBondContact O-N 3.42Å; E614-R617 VanDerWaalsContact CD-NE 3.35Å; E614-R617 WeakPolarHBondContact O-CB 3.39Å; E614-R617 PolarHBondContact O-N 3.46Å; E614-R617 IonicContact OE1-CZ 3.4Å; E614-R617 IonicContact OE1-NE 2.57Å; E614-R617 PolarHBondContact OE1-NE 3.16Å; E614-R617 IonicContact OE1-NH2 3.46Å; E614-R617 PolarHBondContact OE1-NH2 3Å; E614-R617 IonicContact OE2-CZ 3.63Å; E614-R617 IonicContact OE2-NE 2.7Å; E614-R617 PolarHBondContact OE2-NE 2.91Å; E614-R617 IonicContact OE2-NH2 2.63Å; R617-N620 PolarHBondContact O-N 2.81Å; R617-K621 VanDerWaalsContact NH1-NZ 3.15Å; R617-K621 WeakPolarHBondContact O-CG 3.46Å; R617-K621 PolarHBondContact O-N 2.85Å
618	L	88.7	Confident	79.7	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-63.4	-45.3	178.6	-168.2	80.7	0	0	0	111.5	E330 R333 L337 L499 L594 E614 A615 N620 K621 S622	E330-L618 HydrophobicContact CB-CD1 4.49Å; R333-L618 HydrophobicContact CB-CD1 4.26Å; L337-L618 HydrophobicContact CD1-CD2 3.65Å; L499-L618 HydrophobicContact CD1-CD2 3.77Å; L499-L618 HydrophobicContact CD2-CD2 4.09Å; L499-L618 HydrophobicContact CD2-CG 4.36Å; L594-L618 HydrophobicContact CD2-CD2 4.49Å; E614-L618 PolarHBondContact O-N 3.1Å; A615-L618 PolarHBondContact O-N 3.11Å; L618-N620 PolarHBondContact O-N 2.89Å; L618-K621 PolarHBondContact O-N 3.03Å; L618-S622 PolarHBondContact O-N 2.94Å
619	L	87.6	Confident	77.4	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.016	27%	0.265	C	S	.	.	H	α-helix	trans	-62.4	-43.7	178.7	-172	69	0	0	0	111.4	L499 L568 L591 A615 A616 K621 S622 I623	L499-L619 HydrophobicContact CD2-CD1 4.32Å; L568-L619 HydrophobicContact CD2-CD2 4.4Å; L591-L619 HydrophobicContact CB-CD2 4.39Å; L591-L619 HydrophobicContact CD1-CD2 4.24Å; A615-L619 WeakPolarHBondContact O-CB 3.1Å; A615-L619 PolarHBondContact O-N 3.22Å; A616-L619 PolarHBondContact O-N 3.21Å; L619-K621 PolarHBondContact O-N 3.37Å; L619-S622 WeakPolarHBondContact O-CB 3.47Å; L619-S622 PolarHBondContact O-N 3.18Å; L619-S622 VanDerWaalsContact O-N 3.13Å; L619-S622 PolarHBondContact O-OG 3.06Å; L619-I623 HydrophobicContact CD1-CD1 4.44Å; L619-I623 HydrophobicContact CG-CD1 4.04Å; L619-I623 WeakPolarHBondContact O-CG1 3.47Å; L619-I623 PolarHBondContact O-N 2.94Å; L619-I623 VanDerWaalsContact O-N 3.14Å
620	N	83.7	Confident	75.1	Confident	51 Å²	51	53.2 Å²	53.2	27%	0.273	27%	0.267	S	S	.	.	H	α-helix	trans	-60.8	-45.3	175.8	-79.2	-34.1	0	0	0	111.8	L568 R571 A616 R617 L618 S622 I623 V624	L568-N620 VanDerWaalsContact CD1-OD1 3.27Å; L568-N620 WeakPolarHBondContact CD1-OD1 3.48Å; R571-N620 PolarHBondContact NH1-OD1 3.03Å; R571-N620 VanDerWaalsContact NH1-OD1 3.12Å; R571-N620 PolarHBondContact NH2-OD1 3.46Å; A616-N620 VanDerWaalsContact O-CB 3.32Å; A616-N620 WeakPolarHBondContact O-CB 3.45Å; A616-N620 VanDerWaalsContact O-CG 3.29Å; A616-N620 PolarHBondContact O-N 2.95Å; A616-N620 PolarHBondContact O-ND2 3.12Å; R617-N620 PolarHBondContact O-N 2.81Å; L618-N620 PolarHBondContact O-N 2.89Å; N620-S622 PolarHBondContact O-N 3.41Å; N620-I623 PolarHBondContact O-N 2.88Å; N620-V624 VanDerWaalsContact O-CB 3.29Å; N620-V624 WeakPolarHBondContact O-CB 3.39Å; N620-V624 WeakPolarHBondContact O-CG2 3.46Å; N620-V624 PolarHBondContact O-N 3.15Å
621	K	81.8	Confident	73.2	Confident	100 Å²	100	50.5 Å²	50.5	44%	0.435	24%	0.244	S	C	.	.	H	α-helix	trans	-63.5	-29	175.8	-72.7	-170.4	178.1	-163.3	0	113.2	E330 R617 L618 L619	E330-K621 HydrophobicContact CG-CD 3.97Å; E330-K621 VanDerWaalsContact OE1-CD 3.27Å; E330-K621 WeakPolarHBondContact OE1-CD 3.35Å; E330-K621 WeakPolarHBondContact OE1-CE 3.24Å; E330-K621 IonicContact OE1-NZ 3.48Å; E330-K621 PolarHBondContact OE1-NZ 2.82Å; R617-K621 VanDerWaalsContact NH1-NZ 3.15Å; R617-K621 WeakPolarHBondContact O-CG 3.46Å; R617-K621 PolarHBondContact O-N 2.85Å; L618-K621 PolarHBondContact O-N 3.03Å; L619-K621 PolarHBondContact O-N 3.37Å
622	S	77.4	Confident	71.2	Confident	6 Å²	6	53.8 Å²	53.8	4%	0.042	26%	0.261	C	S	.	.	H	α-helix	trans	-71.2	-32.7	176.3	82.7	0	0	0	0	112.7	F500 L618 L619 N620	F500-S622 CarbonylContact O-C 3.53Å; F500-S622 VanDerWaalsContact O-CA 3.28Å; F500-S622 WeakPolarHBondContact O-CA 3.38Å; F500-S622 WeakPolarHBondContact O-CB 3.38Å; F500-S622 VanDerWaalsContact O-O 3.08Å; L618-S622 PolarHBondContact O-N 2.94Å; L619-S622 WeakPolarHBondContact O-CB 3.47Å; L619-S622 PolarHBondContact O-N 3.18Å; L619-S622 VanDerWaalsContact O-N 3.13Å; L619-S622 PolarHBondContact O-OG 3.06Å; N620-S622 PolarHBondContact O-N 3.41Å
623	I	68.9	Low	69.2	Low	24 Å²	24	54.8 Å²	54.8	12%	0.123	27%	0.267	C	S	.	.	H	α-helix	trans	-86.6	-32.9	-177.9	-61.6	165	0	0	0	111.5	L568 W581 L619 N620	L568-I623 HydrophobicContact CD1-CD1 4.1Å; W581-I623 HydrophobicContact CE3-CG1 4.2Å; W581-I623 HydrophobicContact CZ3-CD1 4.39Å; W581-I623 HydrophobicContact CZ3-CG1 4.1Å; L619-I623 HydrophobicContact CD1-CD1 4.44Å; L619-I623 HydrophobicContact CG-CD1 4.04Å; L619-I623 WeakPolarHBondContact O-CG1 3.47Å; L619-I623 PolarHBondContact O-N 2.94Å; L619-I623 VanDerWaalsContact O-N 3.14Å; N620-I623 PolarHBondContact O-N 2.88Å
624	V	59	Low	67.4	Low	55 Å²	55	51.4 Å²	51.4	33%	0.333	26%	0.264	S	S	.	.			trans	-104.5	45.7	-160.2	-173.1	0	0	0	0	113.9	N620	N620-V624 VanDerWaalsContact O-CB 3.29Å; N620-V624 WeakPolarHBondContact O-CB 3.39Å; N620-V624 WeakPolarHBondContact O-CG2 3.46Å; N620-V624 PolarHBondContact O-N 3.15Å
625	R	52.3	Low	65.5	Low	166 Å²	166	54.1 Å²	54.1	63%	0.626	28%	0.276	S	S	*	.			trans	-127.4	50.5	168.3	-81.1	-167.1	174.9	-180	-4	114.1
626	V	50.3	Low	63.3	Low	30 Å²	30	58.3 Å²	58.3	18%	0.182	30%	0.299	C	S	.	.			trans	-130.3	60.8	151.6	-166.5	0	0	0	0	106.9	Y477 R479 I502 Q628	Y477-V626 HydrophobicContact CE1-CG2 3.9Å; Y477-V626 WeakPolarHBondContact OH-CG2 3.07Å; R479-V626 HydrophobicContact CB-CG1 4.25Å; R479-V626 WeakPolarHBondContact O-CG1 2.98Å; I502-V626 HydrophobicContact CD1-CG2 4.15Å; V626-Q628 PolarHBondContact O-N 3.01Å; V626-Q628 VanDerWaalsContact O-N 3.12Å
627	E	47.9	Very low	60.9	Low	113 Å²	113	65.6 Å²	65.6	53%	0.528	34%	0.336	S	S	.	.			trans	-67.6	111.7	167.8	-73.7	-174.5	163.7	0	0	107.2
628	Q	49.1	Very low	58.4	Low	78 Å²	78	68.7 Å²	68.7	36%	0.364	36%	0.357	S	S	.	.			trans	-61.1	149.8	156.3	-65.9	178.8	6.2	0	0	107.1	V626 D630	V626-Q628 PolarHBondContact O-N 3.01Å; V626-Q628 VanDerWaalsContact O-N 3.12Å; Q628-D630 PolarHBondContact O-N 2.71Å
629	P	44.5	Very low	55.7	Low	94 Å²	94	77.6 Å²	77.6	61%	0.61	39%	0.391	S	S	*	.	S	Bend	trans	-61.8	1.8	-172.2	24.9	-35.4	0	0	0	115.9	L669	P629-L669 PolarHBondContact O-N 3.27Å
630	D	46.8	Very low	53.1	Low	66 Å²	66	85.7 Å²	85.7	35%	0.353	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	116.5	-178.1	-62.5	-16.3	0	0	0	110.1	Q628 K666	Q628-D630 PolarHBondContact O-N 2.71Å; D630-K666 HydrophobicContact CB-CB 4.21Å; D630-K666 HydrophobicContact CB-CD 4.03Å; D630-K666 HydrophobicContact CB-CG 4.2Å; D630-K666 WeakPolarHBondContact OD2-CD 3.1Å; D630-K666 IonicContact OD2-NZ 3.88Å; D630-K666 PolarHBondContact OD2-NZ 2.68Å
631	V	52.4	Low	50.6	Low	9 Å²	9	91.2 Å²	91.2	6%	0.055	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	108.1	172.7	-178.5	0	0	0	0	108.3	L633 L667 L669 L672	V631-L633 HydrophobicContact CG1-CD2 4.41Å; V631-L667 PolarHBondContact N-O 3.35Å; V631-L667 VanDerWaalsContact N-O 3.1Å; V631-L667 PolarHBondContact O-N 3.1Å; V631-L669 HydrophobicContact CG2-CD1 4.25Å; V631-L672 HydrophobicContact CG1-CD1 4.38Å
632	D	53	Low	48	Very low	75 Å²	75	92.3 Å²	92.3	40%	0.401	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	123.5	171.9	-72.5	-30.3	0	0	0	109.7	R738	D632-R738 PolarHBondContact O-NH1 3.37Å
633	L	53	Low	46	Very low	21 Å²	21	98 Å²	98	11%	0.11	51%	0.508	C	S	.	.			trans	-98.4	18	-178.3	-71.9	178.9	0	0	0	113.9	V631 L667 M731 K734 I735	V631-L633 HydrophobicContact CG1-CD2 4.41Å; L633-L667 HydrophobicContact CD1-CD1 3.34Å; L633-L667 HydrophobicContact CG-CD1 4.32Å; L633-M731 HydrophobicContact CD1-SD 3.68Å; L633-K734 HydrophobicContact CB-CD 4.35Å; L633-K734 HydrophobicContact CD1-CB 4.35Å; L633-K734 HydrophobicContact CD2-CB 4.24Å; L633-I735 HydrophobicContact CD1-CG1 4.43Å; L633-I735 HydrophobicContact CD2-CG1 4.14Å
634	A	53.7	Low	44	Very low	64 Å²	64	104.7 Å²	104.7	53%	0.529	54%	0.543	S	S	.	.			trans	-97.5	18.3	-164	0	0	0	0	0	116.2	P664	A634-P664 HydrophobicContact CB-CB 4.24Å
635	E	51.7	Low	42.9	Very low	107 Å²	107	106.4 Å²	106.4	50%	0.5	56%	0.562	S	S	.	*			trans	-97.2	19	-168.4	-71.7	-164.5	163	0	0	117.3
636	D	47	Very low	42.1	Very low	88 Å²	88	104.4 Å²	104.4	47%	0.471	57%	0.571	S	S	.	*			trans	-107.8	-2.7	-175.6	-91	4.8	0	0	0	117.2	L638 R737	D636-L638 PolarHBondContact O-N 3.36Å; D636-R737 IonicContact OD2-NH1 3.19Å
637	D	39.7	Very low	41	Very low	163 Å²	163	111.9 Å²	111.9	87%	0.872	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	18.5	-177.6	-72.2	-17.3	0	0	0	115.2
638	L	37.8	Very low	40.3	Very low	128 Å²	128	115.8 Å²	115.8	67%	0.67	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.9	3.8	-170.9	-79	164.5	0	0	0	116	D636	D636-L638 PolarHBondContact O-N 3.36Å
639	W	32.1	Very low	39.3	Very low	188 Å²	188	120.8 Å²	120.8	71%	0.712	65%	0.646	S	S	*	*			trans	-135.8	33.7	-170.1	-73.6	61.7	0	0	0	116.1
640	D	33.8	Very low	39	Very low	173 Å²	173	123 Å²	123	93%	0.925	66%	0.657	S	S	*	*			trans	-123.4	79.4	158.5	-78.2	-31	0	0	0	110.9
641	H	29.8	Very low	38.4	Very low	168 Å²	168	125.5 Å²	125.5	78%	0.778	68%	0.677	S	S	*	*			trans	-77.6	138.4	146.5	-101.4	-78.5	0	0	0	105.5
642	D	28.1	Very low	37.4	Very low	122 Å²	122	133.4 Å²	133.4	65%	0.652	72%	0.715	S	S	*	*			cis	-160.6	128.7	28.8	-89.8	-51.6	0	0	0	108.3
643	S	34.3	Very low	36.6	Very low	126 Å²	126	139 Å²	139	88%	0.881	74%	0.739	S	S	*	*			trans	-154.9	90	160.3	-71.1	0	0	0	0	108.9	A645	S643-A645 PolarHBondContact O-N 2.85Å
644	I	28.4	Very low	35.6	Very low	165 Å²	165	146 Å²	146	85%	0.846	78%	0.777	S	S	*	*			trans	-68.3	118	173	-62.8	163.2	0	0	0	108.5
645	A	34.3	Very low	34.6	Very low	90 Å²	90	145.9 Å²	145.9	74%	0.744	78%	0.782	S	S	*	*			trans	-143.3	140.1	154.4	0	0	0	0	0	109.1	S643	S643-A645 PolarHBondContact O-N 2.85Å
646	P	35.6	Very low	33.6	Very low	125 Å²	125	149.5 Å²	149.5	81%	0.812	81%	0.805	S	S	*	*			trans	-90.5	154.5	-151.1	20.6	-6.4	0	0	0	114.3
647	E	28.6	Very low	32.9	Very low	187 Å²	187	150 Å²	150	87%	0.874	82%	0.815	S	S	*	*			trans	-58.8	131.5	175.3	-61.2	167.5	159.5	0	0	112.6
648	E	32.5	Very low	32.4	Very low	195 Å²	195	147.5 Å²	147.5	91%	0.911	82%	0.817	S	S	*	*			trans	-121.6	113.7	154.6	-81.8	-172.2	166.5	0	0	108.8
649	E	28.9	Very low	32.1	Very low	182 Å²	182	147.8 Å²	147.8	85%	0.85	82%	0.824	S	S	*	*			trans	-76.5	130.8	173.5	-62.1	178.5	146	0	0	111.1
650	V	37	Very low	31.9	Very low	141 Å²	141	142 Å²	142	86%	0.855	82%	0.822	S	S	*	*			trans	-144	138.8	151.6	-175	0	0	0	0	108.4
651	P	35.7	Very low	31.7	Very low	119 Å²	119	145.7 Å²	145.7	77%	0.773	82%	0.824	S	S	*	*			trans	-100.4	169.6	-143.3	27.5	-15.5	0	0	0	117.2
652	M	31.2	Very low	31.8	Very low	174 Å²	174	146.4 Å²	146.4	86%	0.857	83%	0.829	S	S	*	*			trans	-36.8	134	179.8	-58.9	-162.4	-82	0	0	117.7
653	E	35.4	Very low	32	Very low	194 Å²	194	145.5 Å²	145.5	91%	0.907	83%	0.833	S	S	*	*			trans	-127.8	130.3	143.9	-79.1	-170.5	161.8	0	0	109.2
654	D	31.4	Very low	32.4	Very low	168 Å²	168	143.2 Å²	143.2	90%	0.898	82%	0.815	S	S	*	*			trans	-64.3	125.1	-175	-65.1	-54.5	0	0	0	112.7
655	G	34.5	Very low	33.2	Very low	61 Å²	61	138.1 Å²	138.1	63%	0.629	80%	0.797	S	S	*	*			trans	-150.7	89.5	172	0	0	0	0	0	110.8	S657	G655-S657 PolarHBondContact O-N 3.32Å; G655-S657 PolarHBondContact O-OG 3.27Å
656	D	29	Very low	34	Very low	183 Å²	183	139 Å²	139	98%	0.979	78%	0.784	S	S	*	*			trans	-47.3	103.9	172.1	-86.9	-35.2	0	0	0	111.3
657	S	32.3	Very low	35.1	Very low	99 Å²	99	133.6 Å²	133.6	69%	0.692	75%	0.749	S	S	*	*			trans	-141.9	116	163.5	42.7	0	0	0	0	108.5	G655 T659	G655-S657 PolarHBondContact O-N 3.32Å; G655-S657 PolarHBondContact O-OG 3.27Å; S657-T659 PolarHBondContact O-N 3.34Å
658	A	30.2	Very low	36.7	Very low	110 Å²	110	127.3 Å²	127.3	91%	0.909	72%	0.724	S	S	*	*			trans	-59.9	96.4	-177.7	0	0	0	0	0	110.8	G660	A658-G660 VanDerWaalsContact C-N 3.32Å; A658-G660 PolarHBondContact O-N 3.31Å
659	T	31.6	Very low	37.8	Very low	133 Å²	133	121.3 Å²	121.3	82%	0.816	70%	0.698	S	S	*	*			trans	-73.6	90.1	166.3	53.8	0	0	0	0	108.2	S657 R661	S657-T659 PolarHBondContact O-N 3.34Å; T659-R661 PolarHBondContact O-N 3.19Å; T659-R661 VanDerWaalsContact O-N 3.15Å
660	G	28	Very low	39.3	Very low	66 Å²	66	120.4 Å²	120.4	68%	0.68	69%	0.693	S	S	*	*			trans	-59.2	112.6	170	0	0	0	0	0	109.9	A658 M662	A658-G660 VanDerWaalsContact C-N 3.32Å; A658-G660 PolarHBondContact O-N 3.31Å; G660-M662 PolarHBondContact O-N 3.35Å
661	R	29.3	Very low	40.5	Very low	252 Å²	252	121.6 Å²	121.6	95%	0.951	68%	0.683	S	S	*	*			trans	-58.6	106.8	165.7	-76.5	178.1	173.6	171.4	-2.5	107.9	T659 S663	T659-R661 PolarHBondContact O-N 3.19Å; T659-R661 VanDerWaalsContact O-N 3.15Å; R661-S663 PolarHBondContact O-N 2.79Å
662	M	31.7	Very low	41.9	Very low	182 Å²	182	116.5 Å²	116.5	90%	0.897	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-58.5	122.9	174.3	-70.1	177.3	66.7	0	0	109.1	G660	G660-M662 PolarHBondContact O-N 3.35Å
663	S	31.7	Very low	43.5	Very low	104 Å²	104	112.6 Å²	112.6	73%	0.727	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-63.9	143	173.5	48.4	0	0	0	0	110.7	R661 A665	R661-S663 PolarHBondContact O-N 2.79Å; S663-A665 PolarHBondContact O-N 2.85Å
664	P	42.7	Very low	45.1	Very low	77 Å²	77	109.6 Å²	109.6	50%	0.5	62%	0.615	S	S	.	*	P	Polyproline II helix	trans	-57.7	131.9	179.6	23.9	-33	0	0	0	110.9	A634 K666	A634-P664 HydrophobicContact CB-CB 4.24Å; P664-K666 PolarHBondContact O-N 2.94Å
665	A	45.3	Very low	46.9	Very low	58 Å²	58	101.8 Å²	101.8	48%	0.479	57%	0.573	S	S	.	*			trans	-66.6	113.2	179.1	0	0	0	0	0	110.1	S663 M731	S663-A665 PolarHBondContact O-N 2.85Å; A665-M731 HydrophobicContact CB-CE 4.38Å; A665-M731 HydrophobicContact CB-SD 3.82Å
666	K	52.4	Low	48.5	Very low	108 Å²	108	99.5 Å²	99.5	47%	0.47	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	126.8	175.5	-69	172.8	157.1	-152.1	0	109.8	D630 P664	D630-K666 HydrophobicContact CB-CB 4.21Å; D630-K666 HydrophobicContact CB-CD 4.03Å; D630-K666 HydrophobicContact CB-CG 4.2Å; D630-K666 WeakPolarHBondContact OD2-CD 3.1Å; D630-K666 IonicContact OD2-NZ 3.88Å; D630-K666 PolarHBondContact OD2-NZ 2.68Å; P664-K666 PolarHBondContact O-N 2.94Å
667	L	57.9	Low	50.4	Low	13 Å²	13	92.5 Å²	92.5	7%	0.068	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	134.2	171.4	-97.3	132.5	0	0	0	111	V631 L633 R671 M731 I735	V631-L667 PolarHBondContact N-O 3.35Å; V631-L667 VanDerWaalsContact N-O 3.1Å; V631-L667 PolarHBondContact O-N 3.1Å; L633-L667 HydrophobicContact CD1-CD1 3.34Å; L633-L667 HydrophobicContact CG-CD1 4.32Å; L667-R671 HydrophobicContact CD2-CB 4.02Å; L667-M731 HydrophobicContact CD1-CB 4.38Å; L667-M731 HydrophobicContact CD1-CE 3.22Å; L667-M731 HydrophobicContact CD1-SD 3.48Å; L667-M731 WeakPolarHBondContact CD1-SD 3.42Å; L667-M731 HydrophobicContact CD2-CE 4.2Å; L667-M731 HydrophobicContact CG-CE 3.56Å; L667-M731 HydrophobicContact CG-SD 4.4Å; L667-I735 HydrophobicContact CD1-CD1 3.97Å; L667-I735 HydrophobicContact CD1-CG1 4.46Å
668	P	61.7	Low	52.3	Low	54 Å²	54	90.6 Å²	90.6	35%	0.351	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	132.1	171	26.5	-32	0	0	0	110.5	Q670 R671	P668-Q670 PolarHBondContact O-N 2.63Å; P668-R671 HydrophobicContact CG-CB 4.36Å; P668-R671 HydrophobicContact CG-CG 3.96Å; P668-R671 PolarHBondContact O-N 3.46Å
669	L	56.2	Low	54.1	Low	69 Å²	69	85.4 Å²	85.4	36%	0.361	45%	0.447	S	S	.	.	H	α-helix	trans	-46.4	-36.9	-179.4	-168.6	98.7	0	0	0	113.9	P629 V631 R671 L672 L673	P629-L669 PolarHBondContact O-N 3.27Å; V631-L669 HydrophobicContact CG2-CD1 4.25Å; L669-R671 VanDerWaalsContact C-N 3.3Å; L669-R671 PolarHBondContact O-N 3.26Å; L669-L672 WeakPolarHBondContact O-CB 3.03Å; L669-L672 PolarHBondContact O-N 3.34Å; L669-L672 VanDerWaalsContact O-N 3.1Å; L669-L673 HydrophobicContact CD2-CD1 3.8Å; L669-L673 HydrophobicContact CD2-CG 4.47Å; L669-L673 HydrophobicContact CG-CD1 4.22Å; L669-L673 HydrophobicContact CG-CG 4.41Å; L669-L673 PolarHBondContact O-N 2.91Å
670	Q	59.9	Low	55.8	Low	163 Å²	163	79 Å²	79	76%	0.762	41%	0.409	S	S	*	.	H	α-helix	trans	-60.4	-36.3	178.9	-68	179.4	-9.5	0	0	113.1	P668 K674	P668-Q670 PolarHBondContact O-N 2.63Å; Q670-K674 WeakPolarHBondContact O-CB 3.44Å; Q670-K674 PolarHBondContact O-N 3.08Å
671	R	62.5	Low	57.9	Low	167 Å²	167	78 Å²	78	63%	0.63	39%	0.391	S	S	*	.	H	α-helix	trans	-69.6	-37.7	175.9	-73.8	-176.5	-175.7	172.4	-0.3	110.9	L667 P668 L669 K674 F675	L667-R671 HydrophobicContact CD2-CB 4.02Å; P668-R671 HydrophobicContact CG-CB 4.36Å; P668-R671 HydrophobicContact CG-CG 3.96Å; P668-R671 PolarHBondContact O-N 3.46Å; L669-R671 VanDerWaalsContact C-N 3.3Å; L669-R671 PolarHBondContact O-N 3.26Å; R671-K674 PolarHBondContact O-N 3.45Å; R671-F675 WeakPolarHBondContact O-CB 3.42Å; R671-F675 PolarHBondContact O-N 3.34Å
672	L	64.6	Low	59.9	Low	12 Å²	12	66.5 Å²	66.5	6%	0.063	35%	0.35	C	S	.	.	H	α-helix	trans	-66.7	-43.1	176.6	-166.4	118.4	0	0	0	111.6	V631 L669 K674 F675 L676 I735	V631-L672 HydrophobicContact CG1-CD1 4.38Å; L669-L672 WeakPolarHBondContact O-CB 3.03Å; L669-L672 PolarHBondContact O-N 3.34Å; L669-L672 VanDerWaalsContact O-N 3.1Å; L672-K674 PolarHBondContact O-N 3Å; L672-F675 WeakPolarHBondContact O-CB 3.43Å; L672-F675 PolarHBondContact O-N 3.43Å; L672-L676 HydrophobicContact CD2-CD1 3.87Å; L672-L676 WeakPolarHBondContact O-CB 3.28Å; L672-L676 WeakPolarHBondContact O-CG 3.44Å; L672-L676 PolarHBondContact O-N 2.82Å; L672-I735 HydrophobicContact CD1-CG1 4.06Å; L672-I735 HydrophobicContact CD1-CG2 3.82Å; L672-I735 HydrophobicContact CG-CG2 4.39Å
673	L	64.7	Low	61.7	Low	92 Å²	92	58 Å²	58	48%	0.482	31%	0.308	S	S	.	.	H	α-helix	trans	-63.1	-40.4	174.8	-72.4	172	0	0	0	112.1	L669 F675 L676 S677	L669-L673 HydrophobicContact CD2-CD1 3.8Å; L669-L673 HydrophobicContact CD2-CG 4.47Å; L669-L673 HydrophobicContact CG-CD1 4.22Å; L669-L673 HydrophobicContact CG-CG 4.41Å; L669-L673 PolarHBondContact O-N 2.91Å; L673-F675 VanDerWaalsContact C-N 3.35Å; L673-L676 HydrophobicContact CD2-CD1 4.39Å; L673-L676 WeakPolarHBondContact O-CB 3.31Å; L673-L676 PolarHBondContact O-N 3.31Å; L673-S677 PolarHBondContact O-N 2.9Å; L673-S677 PolarHBondContact O-OG 3.24Å
674	K	69.4	Low	63.5	Low	131 Å²	131	55.3 Å²	55.3	57%	0.57	28%	0.282	S	S	*	.	H	α-helix	trans	-67	-36.1	175.3	-164.2	177.7	-173.6	179.8	0	112.2	Q670 R671 L672 S677 K678	Q670-K674 WeakPolarHBondContact O-CB 3.44Å; Q670-K674 PolarHBondContact O-N 3.08Å; R671-K674 PolarHBondContact O-N 3.45Å; L672-K674 PolarHBondContact O-N 3Å; K674-S677 PolarHBondContact O-OG 3.44Å; K674-K678 WeakPolarHBondContact O-CB 2.96Å; K674-K678 VanDerWaalsContact O-CG 3.27Å; K674-K678 WeakPolarHBondContact O-CG 3.29Å; K674-K678 PolarHBondContact O-N 2.87Å
675	F	69.7	Low	64.9	Low	4 Å²	4	58.3 Å²	58.3	2%	0.018	29%	0.287	C	S	.	.	H	α-helix	trans	-65.7	-45.5	171.8	176.1	-108.2	0	0	0	111.3	R671 L672 L673 K678 S679 Y711 L732 I735 I736 L739	R671-F675 WeakPolarHBondContact O-CB 3.42Å; R671-F675 PolarHBondContact O-N 3.34Å; L672-F675 WeakPolarHBondContact O-CB 3.43Å; L672-F675 PolarHBondContact O-N 3.43Å; L673-F675 VanDerWaalsContact C-N 3.35Å; F675-K678 PolarHBondContact O-N 2.9Å; F675-S679 VanDerWaalsContact O-CB 3.24Å; F675-S679 WeakPolarHBondContact O-CB 3.2Å; F675-S679 PolarHBondContact O-N 3.25Å; F675-S679 PolarHBondContact O-OG 2.86Å; F675-Y711 AromaticContact CD2-CD1 3.8Å; F675-Y711 HydrophobicContact CD2-CD1 3.8Å; F675-Y711 AromaticContact CD2-CD2 3.76Å; F675-Y711 HydrophobicContact CD2-CD2 3.76Å; F675-Y711 AromaticContact CD2-CE1 3.5Å; F675-Y711 HydrophobicContact CD2-CE1 3.5Å; F675-Y711 AromaticContact CD2-CE2 3.51Å; F675-Y711 HydrophobicContact CD2-CE2 3.51Å; F675-Y711 AromaticContact CD2-CG 3.88Å; F675-Y711 HydrophobicContact CD2-CG 3.88Å; F675-Y711 AromaticContact CD2-CZ 3.35Å; F675-Y711 AromaticContact CE2-CD1 3.71Å; F675-Y711 HydrophobicContact CE2-CD1 3.71Å; F675-Y711 AromaticContact CE2-CD2 3.87Å; F675-Y711 HydrophobicContact CE2-CD2 3.87Å; F675-Y711 AromaticContact CE2-CE1 3.92Å; F675-Y711 HydrophobicContact CE2-CE1 3.92Å; F675-Y711 HydrophobicContact CE2-CE2 4.11Å; F675-Y711 AromaticContact CE2-CG 3.64Å; F675-Y711 HydrophobicContact CE2-CG 3.64Å; F675-L732 HydrophobicContact CD2-CD2 3.7Å; F675-L732 HydrophobicContact CE2-CD2 3.35Å; F675-L732 HydrophobicContact CG-CD2 4.4Å; F675-L732 HydrophobicContact CZ-CD2 3.82Å; F675-I735 HydrophobicContact CD1-CG2 3.48Å; F675-I735 VanDerWaalsContact CD1-CG2 3.48Å; F675-I735 HydrophobicContact CE1-CB 4.38Å; F675-I735 HydrophobicContact CE1-CG2 3.59Å; F675-I736 HydrophobicContact CE1-CG1 3.92Å; F675-I736 HydrophobicContact CZ-CD1 4.09Å; F675-I736 HydrophobicContact CZ-CG1 3.71Å; F675-L739 HydrophobicContact CD1-CD1 4.18Å; F675-L739 HydrophobicContact CE1-CD1 3.9Å
676	L	67.4	Low	66	Low	13 Å²	13	58.2 Å²	58.2	7%	0.068	28%	0.279	C	S	.	.	H	α-helix	trans	-56.6	-56.2	176.8	-90.8	170	0	0	0	111.7	L672 L673 K678 S679 T680 L739 V745	L672-L676 HydrophobicContact CD2-CD1 3.87Å; L672-L676 WeakPolarHBondContact O-CB 3.28Å; L672-L676 WeakPolarHBondContact O-CG 3.44Å; L672-L676 PolarHBondContact O-N 2.82Å; L673-L676 HydrophobicContact CD2-CD1 4.39Å; L673-L676 WeakPolarHBondContact O-CB 3.31Å; L673-L676 PolarHBondContact O-N 3.31Å; L676-K678 VanDerWaalsContact C-N 3.32Å; L676-K678 PolarHBondContact O-N 3.13Å; L676-S679 PolarHBondContact O-N 2.94Å; L676-S679 PolarHBondContact O-OG 3.33Å; L676-T680 WeakPolarHBondContact O-CB 3.31Å; L676-T680 WeakPolarHBondContact O-CG2 3.45Å; L676-T680 PolarHBondContact O-N 3.48Å; L676-T680 PolarHBondContact O-OG1 3.46Å; L676-L739 HydrophobicContact CD1-CD2 4.1Å; L676-L739 HydrophobicContact CD2-CD1 3.58Å; L676-L739 HydrophobicContact CD2-CD2 3.36Å; L676-L739 HydrophobicContact CD2-CG 4.08Å; L676-L739 HydrophobicContact CG-CD1 4.22Å; L676-L739 HydrophobicContact CG-CD2 3.92Å; L676-V745 HydrophobicContact CD2-CG1 4.06Å
677	S	68.3	Low	66.6	Low	35 Å²	35	57.5 Å²	57.5	25%	0.245	28%	0.277	C	S	.	.	H	α-helix	trans	-61.4	-40.2	-177.5	65.7	0	0	0	0	112.4	L673 K674 T680 S681	L673-S677 PolarHBondContact O-N 2.9Å; L673-S677 PolarHBondContact O-OG 3.24Å; K674-S677 PolarHBondContact O-OG 3.44Å; S677-T680 PolarHBondContact O-OG1 3.11Å; S677-S681 WeakPolarHBondContact O-CB 3.19Å; S677-S681 PolarHBondContact O-N 3.38Å; S677-S681 PolarHBondContact O-OG 3.48Å
678	K	72.7	Confident	66.8	Low	60 Å²	60	65.2 Å²	65.2	26%	0.261	31%	0.305	S	S	.	.	H	α-helix	trans	-66.8	-48.9	175.9	-76.1	-175.8	168.6	-145.8	0	112.4	K674 F675 L676 S681 A682 Y711 E714	K674-K678 WeakPolarHBondContact O-CB 2.96Å; K674-K678 VanDerWaalsContact O-CG 3.27Å; K674-K678 WeakPolarHBondContact O-CG 3.29Å; K674-K678 PolarHBondContact O-N 2.87Å; F675-K678 PolarHBondContact O-N 2.9Å; L676-K678 VanDerWaalsContact C-N 3.32Å; L676-K678 PolarHBondContact O-N 3.13Å; K678-S681 PolarHBondContact O-N 3.26Å; K678-A682 VanDerWaalsContact O-CB 3.29Å; K678-A682 WeakPolarHBondContact O-CB 3.45Å; K678-A682 PolarHBondContact O-N 3.34Å; K678-Y711 HydrophobicContact CD-CE2 4.09Å; K678-E714 VanDerWaalsContact NZ-CD 3.3Å; K678-E714 IonicContact NZ-OE1 2.75Å; K678-E714 PolarHBondContact NZ-OE1 2.85Å; K678-E714 IonicContact NZ-OE2 2.78Å
679	S	68.1	Low	66.8	Low	0 Å²	0	67.8 Å²	67.8	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64.9	-44.8	-178.4	58.4	0	0	0	0	111.8	F675 L676 S681 A682 L683	F675-S679 VanDerWaalsContact O-CB 3.24Å; F675-S679 WeakPolarHBondContact O-CB 3.2Å; F675-S679 PolarHBondContact O-N 3.25Å; F675-S679 PolarHBondContact O-OG 2.86Å; L676-S679 PolarHBondContact O-N 2.94Å; L676-S679 PolarHBondContact O-OG 3.33Å; S679-S681 PolarHBondContact O-N 2.63Å; S679-A682 PolarHBondContact O-N 3.39Å; S679-L683 WeakPolarHBondContact O-CB 3.47Å; S679-L683 VanDerWaalsContact O-CG 3.26Å; S679-L683 WeakPolarHBondContact O-CG 3.31Å; S679-L683 PolarHBondContact O-N 3.21Å
680	T	68.5	Low	66.8	Low	0 Å²	0	70.3 Å²	70.3	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-66.4	-37.7	176.4	56	0	0	0	0	111.9	L676 S677 R684 V745 V761 Y765 L767	L676-T680 WeakPolarHBondContact O-CB 3.31Å; L676-T680 WeakPolarHBondContact O-CG2 3.45Å; L676-T680 PolarHBondContact O-N 3.48Å; L676-T680 PolarHBondContact O-OG1 3.46Å; S677-T680 PolarHBondContact O-OG1 3.11Å; T680-R684 WeakPolarHBondContact O-CB 3.26Å; T680-R684 WeakPolarHBondContact O-CG 3.38Å; T680-R684 PolarHBondContact O-N 2.84Å; T680-V745 HydrophobicContact CG2-CG1 4.05Å; T680-V761 HydrophobicContact CG2-CG2 4.45Å; T680-Y765 HydrophobicContact CG2-CD1 4.25Å; T680-Y765 HydrophobicContact CG2-CE1 3.98Å; T680-L767 WeakPolarHBondContact OG1-CD2 3.34Å
681	S	71.4	Confident	66.5	Low	44 Å²	44	67.4 Å²	67.4	31%	0.308	32%	0.323	S	S	.	.	H	α-helix	trans	-66.3	-39.8	175.4	-66.4	0	0	0	0	111.9	S677 K678 S679 K685	S677-S681 WeakPolarHBondContact O-CB 3.19Å; S677-S681 PolarHBondContact O-N 3.38Å; S677-S681 PolarHBondContact O-OG 3.48Å; K678-S681 PolarHBondContact O-N 3.26Å; S679-S681 PolarHBondContact O-N 2.63Å; S681-K685 VanDerWaalsContact O-CB 3.31Å; S681-K685 WeakPolarHBondContact O-CB 3.43Å; S681-K685 WeakPolarHBondContact O-CG 3.37Å; S681-K685 PolarHBondContact O-N 3.49Å
682	A	70.6	Confident	65.6	Low	11 Å²	11	64.2 Å²	64.2	9%	0.091	33%	0.326	C	S	.	.	H	α-helix	trans	-68.4	-42.6	177.5	0	0	0	0	0	112	K678 S679 K685 N686 W710	K678-A682 VanDerWaalsContact O-CB 3.29Å; K678-A682 WeakPolarHBondContact O-CB 3.45Å; K678-A682 PolarHBondContact O-N 3.34Å; S679-A682 PolarHBondContact O-N 3.39Å; A682-K685 PolarHBondContact O-N 2.95Å; A682-N686 WeakPolarHBondContact O-CB 3.42Å; A682-N686 PolarHBondContact O-N 3.43Å; A682-W710 HydrophobicContact CB-CD2 4.36Å; A682-W710 HydrophobicContact CB-CE3 4.13Å; A682-W710 HydrophobicContact CB-CH2 3.28Å; A682-W710 HydrophobicContact CB-CZ2 3.5Å; A682-W710 HydrophobicContact CB-CZ3 3.61Å
683	L	69.8	Low	64.6	Low	4 Å²	4	67.8 Å²	67.8	2%	0.021	35%	0.348	C	S	.	.	H	α-helix	trans	-62.3	-48.3	174.9	-71.2	169.9	0	0	0	111.2	S679 K685 N686 E687 V702 L707 L746 V761	S679-L683 WeakPolarHBondContact O-CB 3.47Å; S679-L683 VanDerWaalsContact O-CG 3.26Å; S679-L683 WeakPolarHBondContact O-CG 3.31Å; S679-L683 PolarHBondContact O-N 3.21Å; L683-K685 VanDerWaalsContact C-N 3.35Å; L683-K685 PolarHBondContact O-N 2.92Å; L683-N686 PolarHBondContact O-N 2.88Å; L683-E687 WeakPolarHBondContact O-CG 3.42Å; L683-E687 PolarHBondContact O-N 2.84Å; L683-V702 HydrophobicContact CD2-CB 3.72Å; L683-V702 HydrophobicContact CD2-CG2 3.6Å; L683-L707 HydrophobicContact CD1-CD2 4.45Å; L683-L707 HydrophobicContact CD2-CD1 4.21Å; L683-L707 HydrophobicContact CG-CD1 4.28Å; L683-L746 HydrophobicContact CD1-CD2 3.54Å; L683-V761 HydrophobicContact CB-CG2 3.55Å; L683-V761 HydrophobicContact CD1-CG2 3.65Å; L683-V761 HydrophobicContact CG-CG2 4.25Å
684	R	70.4	Confident	63.4	Low	47 Å²	47	72 Å²	72	18%	0.177	36%	0.363	C	S	.	.	H	α-helix	trans	-62.1	-38	175.3	-77.9	-178	172.3	-166.3	-1.3	112.9	T680 E687 R688 Y765 E770	T680-R684 WeakPolarHBondContact O-CB 3.26Å; T680-R684 WeakPolarHBondContact O-CG 3.38Å; T680-R684 PolarHBondContact O-N 2.84Å; R684-E687 PolarHBondContact O-N 3.17Å; R684-R688 WeakPolarHBondContact O-CG 3.33Å; R684-R688 PolarHBondContact O-N 3.47Å; R684-Y765 PolarHBondContact NH2-O 3.49Å; R684-E770 IonicContact NH1-OE2 3.93Å; R684-E770 PolarHBondContact NH1-OE2 2.92Å
685	K	71.3	Confident	62.2	Low	140 Å²	140	72.7 Å²	72.7	61%	0.609	37%	0.367	S	S	*	.	H	α-helix	trans	-64.7	-43.4	174.4	-79.4	174.3	-176.6	178.6	0	111.1	S681 A682 L683 E687 R688 V689	S681-K685 VanDerWaalsContact O-CB 3.31Å; S681-K685 WeakPolarHBondContact O-CB 3.43Å; S681-K685 WeakPolarHBondContact O-CG 3.37Å; S681-K685 PolarHBondContact O-N 3.49Å; A682-K685 PolarHBondContact O-N 2.95Å; L683-K685 VanDerWaalsContact C-N 3.35Å; L683-K685 PolarHBondContact O-N 2.92Å; K685-E687 VanDerWaalsContact C-N 3.34Å; K685-E687 PolarHBondContact O-N 2.76Å; K685-R688 PolarHBondContact O-N 3.22Å; K685-V689 WeakPolarHBondContact O-CB 3.21Å; K685-V689 VanDerWaalsContact O-CG2 3.3Å; K685-V689 WeakPolarHBondContact O-CG2 3.29Å; K685-V689 PolarHBondContact O-N 3.47Å
686	N	68.1	Low	61.3	Low	56 Å²	56	82.7 Å²	82.7	30%	0.299	41%	0.413	S	S	.	.	H	α-helix	trans	-63.9	-38.8	176.8	-83.4	-24.3	0	0	0	112.2	A682 L683 K690 V702	A682-N686 WeakPolarHBondContact O-CB 3.42Å; A682-N686 PolarHBondContact O-N 3.43Å; L683-N686 PolarHBondContact O-N 2.88Å; N686-K690 PolarHBondContact O-N 3.31Å; N686-K690 VanDerWaalsContact O-N 3.1Å; N686-V702 HydrophobicContact CB-CG2 4.4Å
687	E	65.9	Low	60.4	Low	92 Å²	92	85.4 Å²	85.4	43%	0.43	43%	0.433	S	S	.	.	H	α-helix	trans	-61.3	-41.7	172.1	-74.6	174.1	179.4	0	0	112.2	L683 R684 K685	L683-E687 WeakPolarHBondContact O-CG 3.42Å; L683-E687 PolarHBondContact O-N 2.84Å; R684-E687 PolarHBondContact O-N 3.17Å; K685-E687 VanDerWaalsContact C-N 3.34Å; K685-E687 PolarHBondContact O-N 2.76Å
688	R	61.3	Low	59.6	Low	175 Å²	175	86.1 Å²	86.1	66%	0.66	45%	0.446	S	S	*	.	H	α-helix	trans	-71.8	-36.4	179.2	-73.1	-179.5	-175.2	175.6	6.5	113.5	R684 K685 P691 E770	R684-R688 WeakPolarHBondContact O-CG 3.33Å; R684-R688 PolarHBondContact O-N 3.47Å; K685-R688 PolarHBondContact O-N 3.22Å; R688-P691 WeakPolarHBondContact O-CD 3.45Å; R688-E770 IonicContact NH2-OE1 3.88Å
689	V	60.8	Low	58.8	Low	109 Å²	109	87.7 Å²	87.7	66%	0.661	46%	0.455	S	S	*	.	H	α-helix	trans	-84.1	-28.4	-174.4	176.6	0	0	0	0	112.5	K685 P691	K685-V689 WeakPolarHBondContact O-CB 3.21Å; K685-V689 VanDerWaalsContact O-CG2 3.3Å; K685-V689 WeakPolarHBondContact O-CG2 3.29Å; K685-V689 PolarHBondContact O-N 3.47Å; V689-P691 WeakPolarHBondContact O-CD 3.02Å
690	K	57.6	Low	58.6	Low	122 Å²	122	92.4 Å²	92.4	53%	0.53	49%	0.486	S	S	.	.			trans	-117.8	48	-176.9	-61	-179	-178.9	174.8	0	114.9	N686 S692	N686-K690 PolarHBondContact O-N 3.31Å; N686-K690 VanDerWaalsContact O-N 3.1Å; K690-S692 PolarHBondContact O-N 2.77Å
691	P	52.4	Low	58.5	Low	101 Å²	101	94 Å²	94	66%	0.656	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-9.9	174.1	29.7	-33.7	0	0	0	113.2	R688 V689	R688-P691 WeakPolarHBondContact O-CD 3.45Å; V689-P691 WeakPolarHBondContact O-CD 3.02Å
692	S	44.1	Very low	58.6	Low	101 Å²	101	92.9 Å²	92.9	71%	0.706	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.2	-4.3	-169.8	54.2	0	0	0	0	115.8	K690	K690-S692 PolarHBondContact O-N 2.77Å
693	V	44.3	Very low	59.1	Low	87 Å²	87	98.8 Å²	98.8	53%	0.527	51%	0.514	S	S	.	.			trans	-103.5	81.8	177.4	-163.6	0	0	0	0	108.6	F695	V693-F695 VanDerWaalsContact C-N 3.35Å; V693-F695 HydrophobicContact CG1-CE2 4.49Å; V693-F695 PolarHBondContact O-N 3.5Å
694	F	39.1	Very low	59.6	Low	181 Å²	181	99.7 Å²	99.7	79%	0.794	52%	0.518	S	S	*	.			trans	-59.5	101.6	161.2	-91.3	-91.9	0	0	0	107.4
695	F	44.6	Very low	60.1	Low	145 Å²	145	99.6 Å²	99.6	64%	0.636	52%	0.524	S	S	*	.			trans	-59.8	147.2	163.8	-89.3	-90.7	0	0	0	108.6	V693 S697 G698	V693-F695 VanDerWaalsContact C-N 3.35Å; V693-F695 HydrophobicContact CG1-CE2 4.49Å; V693-F695 PolarHBondContact O-N 3.5Å; F695-S697 PolarHBondContact O-N 2.99Å; F695-G698 PolarHBondContact O-N 2.97Å
696	E	49.5	Very low	60.7	Low	214 Å²	214	97.7 Å²	97.7	100%	1	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-9.6	-178	-70.6	177	150.7	0	0	114.2
697	S	49.1	Very low	61.2	Low	70 Å²	70	95.3 Å²	95.3	49%	0.49	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	6.6	176.6	30.8	0	0	0	0	115.9	F695 M699	F695-S697 PolarHBondContact O-N 2.99Å; S697-M699 VanDerWaalsContact C-N 3.27Å; S697-M699 PolarHBondContact O-N 3.49Å
698	G	52.1	Low	62	Low	50 Å²	50	91 Å²	91	52%	0.515	49%	0.485	S	S	.	.			trans	68.1	6.7	161	0	0	0	0	0	118.2	F695	F695-G698 PolarHBondContact O-N 2.97Å
699	M	56.7	Low	63	Low	92 Å²	92	86 Å²	86	45%	0.453	47%	0.471	S	S	.	.			trans	-112.7	125.1	-178.1	-73.1	-82.8	-135.9	0	0	111.5	S697 G701 L749	S697-M699 VanDerWaalsContact C-N 3.27Å; S697-M699 PolarHBondContact O-N 3.49Å; M699-G701 PolarHBondContact O-N 3.2Å; M699-L749 HydrophobicContact CE-CB 4.32Å; M699-L749 WeakPolarHBondContact CE-O 3.29Å; M699-L749 HydrophobicContact SD-CB 4.47Å
700	P	62.6	Low	64	Low	100 Å²	100	84.5 Å²	84.5	65%	0.649	45%	0.454	S	S	*	.			trans	-73	124.1	170.8	29.6	-31.1	0	0	0	109.4	L749 V760	P700-L749 WeakPolarHBondContact O-CD1 3.29Å; P700-V760 WeakPolarHBondContact O-CG2 3.47Å
701	G	65.8	Low	65.1	Low	34 Å²	34	79.8 Å²	79.8	35%	0.351	43%	0.433	S	S	.	.			trans	166.2	166.9	175.9	0	0	0	0	0	113.5	M699	M699-G701 PolarHBondContact O-N 3.2Å
702	V	75.5	Confident	66.4	Low	20 Å²	20	76.4 Å²	76.4	12%	0.121	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	137.9	172.5	-177.9	0	0	0	0	108.5	L683 N686 H706 L707 I759	L683-V702 HydrophobicContact CD2-CB 3.72Å; L683-V702 HydrophobicContact CD2-CG2 3.6Å; N686-V702 HydrophobicContact CB-CG2 4.4Å; V702-H706 HydrophobicContact CG1-CB 4.1Å; V702-H706 WeakPolarHBondContact CG1-ND1 3.46Å; V702-L707 HydrophobicContact CG1-CB 4.43Å; V702-I759 PolarHBondContact N-O 2.94Å; V702-I759 PolarHBondContact O-N 2.97Å
703	R	80.2	Confident	68.3	Low	135 Å²	135	78.1 Å²	78.1	51%	0.509	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	145.8	175	-72.7	-175	178.7	159.3	-2	111.2	S705 H706 L707 F758	R703-S705 VanDerWaalsContact C-N 3.3Å; R703-S705 PolarHBondContact O-N 2.97Å; R703-H706 HydrophobicContact CB-CB 4.22Å; R703-H706 PolarHBondContact O-N 3.37Å; R703-L707 PolarHBondContact O-N 3.1Å; R703-F758 HydrophobicContact CG-CD1 4.25Å; R703-F758 HydrophobicContact CG-CE1 3.9Å; R703-F758 HydrophobicContact CG-CZ 4.26Å
704	F	81	Confident	69.9	Low	22 Å²	22	77.9 Å²	77.9	10%	0.096	40%	0.399	C	S	.	.	H	α-helix	trans	-55	-45.9	178	174	-82.6	0	0	0	111.5	H706 L707 V708 Q733 I736 R737 D756 P757 I759	F704-H706 PolarHBondContact O-N 3.5Å; F704-L707 PolarHBondContact O-N 2.91Å; F704-V708 HydrophobicContact CE1-CG2 4.25Å; F704-V708 WeakPolarHBondContact O-CG2 3.16Å; F704-V708 PolarHBondContact O-N 3.02Å; F704-Q733 HydrophobicContact CE1-CB 4.37Å; F704-Q733 HydrophobicContact CE1-CG 3.81Å; F704-Q733 HydrophobicContact CZ-CB 3.89Å; F704-Q733 HydrophobicContact CZ-CG 3.82Å; F704-I736 HydrophobicContact CD2-CB 4.37Å; F704-I736 HydrophobicContact CD2-CG2 3.61Å; F704-I736 HydrophobicContact CE2-CB 3.76Å; F704-I736 HydrophobicContact CE2-CD1 4.41Å; F704-I736 HydrophobicContact CE2-CG2 3.47Å; F704-I736 VanDerWaalsContact CE2-CG2 3.47Å; F704-R737 HydrophobicContact CE2-CG 4.38Å; F704-D756 WeakPolarHBondContact CA-OD1 3.31Å; F704-D756 VanDerWaalsContact CB-OD1 3.26Å; F704-D756 WeakPolarHBondContact CB-OD1 3.3Å; F704-D756 PolarHBondContact N-OD1 3.01Å; F704-P757 HydrophobicContact CB-CG 4.21Å; F704-P757 PolarHBondContact N-O 3.41Å; F704-P757 VanDerWaalsContact N-O 3.11Å; F704-I759 HydrophobicContact CB-CD1 3.91Å; F704-I759 HydrophobicContact CB-CG1 4.41Å; F704-I759 HydrophobicContact CD2-CD1 3.79Å; F704-I759 HydrophobicContact CG-CD1 4.28Å
705	S	80.7	Confident	71.8	Confident	45 Å²	45	70.8 Å²	70.8	32%	0.315	37%	0.369	S	S	.	.	H	α-helix	trans	-57	-49	175.7	55.4	0	0	0	0	112.6	R703 L707 V708 D709 D756	R703-S705 VanDerWaalsContact C-N 3.3Å; R703-S705 PolarHBondContact O-N 2.97Å; S705-L707 VanDerWaalsContact C-N 3.31Å; S705-L707 PolarHBondContact O-N 3.24Å; S705-V708 WeakPolarHBondContact O-CB 3.34Å; S705-V708 PolarHBondContact O-N 3.23Å; S705-V708 VanDerWaalsContact O-N 3.16Å; S705-D709 VanDerWaalsContact O-CG 3.29Å; S705-D709 PolarHBondContact O-N 2.87Å; S705-D756 WeakPolarHBondContact CB-OD2 3.35Å; S705-D756 PolarHBondContact N-OD1 2.78Å; S705-D756 PolarHBondContact OG-OD1 3.29Å; S705-D756 PolarHBondContact OG-OD2 3.47Å
706	H	82.7	Confident	73.4	Confident	100 Å²	100	67.2 Å²	67.2	46%	0.463	36%	0.362	S	S	.	.	H	α-helix	trans	-65.6	-32.1	-178.1	-174.7	-97.5	0	0	0	112.9	V702 R703 F704 W710	V702-H706 HydrophobicContact CG1-CB 4.1Å; V702-H706 WeakPolarHBondContact CG1-ND1 3.46Å; R703-H706 HydrophobicContact CB-CB 4.22Å; R703-H706 PolarHBondContact O-N 3.37Å; F704-H706 PolarHBondContact O-N 3.5Å; H706-W710 VanDerWaalsContact O-CB 3.23Å; H706-W710 WeakPolarHBondContact O-CB 3.48Å; H706-W710 PolarHBondContact O-N 2.89Å
707	L	79.2	Confident	74.8	Confident	6 Å²	6	66.2 Å²	66.2	3%	0.031	36%	0.357	C	S	.	.	H	α-helix	trans	-69.4	-39.5	174.7	-174.5	66.3	0	0	0	111.6	L683 V702 R703 F704 S705 W710 Y711 I736 I759	L683-L707 HydrophobicContact CD1-CD2 4.45Å; L683-L707 HydrophobicContact CD2-CD1 4.21Å; L683-L707 HydrophobicContact CG-CD1 4.28Å; V702-L707 HydrophobicContact CG1-CB 4.43Å; R703-L707 PolarHBondContact O-N 3.1Å; F704-L707 PolarHBondContact O-N 2.91Å; S705-L707 VanDerWaalsContact C-N 3.31Å; S705-L707 PolarHBondContact O-N 3.24Å; L707-W710 HydrophobicContact CD1-CE3 4.28Å; L707-Y711 PolarHBondContact O-N 2.87Å; L707-I736 HydrophobicContact CD2-CD1 4.11Å; L707-I736 HydrophobicContact CG-CD1 4.44Å; L707-I759 HydrophobicContact CD2-CD1 4.24Å
708	V	81.9	Confident	76.1	Confident	2 Å²	2	67.2 Å²	67.2	1%	0.012	36%	0.361	C	S	.	.	H	α-helix	trans	-64.6	-48.1	175.7	174.3	0	0	0	0	110.2	F704 S705 Y711 L712 K729 Q733 I736	F704-V708 HydrophobicContact CE1-CG2 4.25Å; F704-V708 WeakPolarHBondContact O-CG2 3.16Å; F704-V708 PolarHBondContact O-N 3.02Å; S705-V708 WeakPolarHBondContact O-CB 3.34Å; S705-V708 PolarHBondContact O-N 3.23Å; S705-V708 VanDerWaalsContact O-N 3.16Å; V708-Y711 PolarHBondContact O-N 3.32Å; V708-L712 HydrophobicContact CG1-CD1 3.91Å; V708-L712 HydrophobicContact CG1-CG 4.43Å; V708-L712 WeakPolarHBondContact O-CG 3.43Å; V708-L712 PolarHBondContact O-N 2.78Å; V708-K729 HydrophobicContact CG1-CG 3.94Å; V708-Q733 HydrophobicContact CG2-CG 4.26Å; V708-I736 HydrophobicContact CG2-CD1 3.52Å
709	D	82.5	Confident	77.3	Confident	71 Å²	71	66.6 Å²	66.6	38%	0.38	35%	0.345	S	S	.	.	H	α-helix	trans	-63	-44.6	-179.4	-65.8	-22.2	0	0	0	111.4	S705 Y711 L712 E713	S705-D709 VanDerWaalsContact O-CG 3.29Å; S705-D709 PolarHBondContact O-N 2.87Å; D709-Y711 VanDerWaalsContact C-N 3.3Å; D709-Y711 PolarHBondContact O-N 2.82Å; D709-L712 PolarHBondContact O-N 2.83Å; D709-E713 WeakPolarHBondContact O-CG 3.39Å; D709-E713 PolarHBondContact O-N 3.49Å
710	W	83	Confident	78.2	Confident	76 Å²	76	71.2 Å²	71.2	29%	0.288	37%	0.366	S	S	.	.	H	α-helix	trans	-57.2	-41.7	175.8	173.4	75.2	0	0	0	112.8	A682 H706 L707 E713 E714	A682-W710 HydrophobicContact CB-CD2 4.36Å; A682-W710 HydrophobicContact CB-CE3 4.13Å; A682-W710 HydrophobicContact CB-CH2 3.28Å; A682-W710 HydrophobicContact CB-CZ2 3.5Å; A682-W710 HydrophobicContact CB-CZ3 3.61Å; H706-W710 VanDerWaalsContact O-CB 3.23Å; H706-W710 WeakPolarHBondContact O-CB 3.48Å; H706-W710 PolarHBondContact O-N 2.89Å; L707-W710 HydrophobicContact CD1-CE3 4.28Å; W710-E713 PolarHBondContact O-N 2.9Å; W710-E714 VanDerWaalsContact CH2-OE2 3.29Å; W710-E714 WeakPolarHBondContact CH2-OE2 3.39Å; W710-E714 PolarHBondContact O-N 2.77Å
711	Y	79.8	Confident	79	Confident	23 Å²	23	68.9 Å²	68.9	9%	0.09	35%	0.352	C	S	.	.	H	α-helix	trans	-74.9	-32.5	179.6	-170	-104.2	0	0	0	112.7	F675 K678 L707 V708 D709 E713 E714 I715 L732	F675-Y711 AromaticContact CD2-CD1 3.8Å; F675-Y711 HydrophobicContact CD2-CD1 3.8Å; F675-Y711 AromaticContact CD2-CD2 3.76Å; F675-Y711 HydrophobicContact CD2-CD2 3.76Å; F675-Y711 AromaticContact CD2-CE1 3.5Å; F675-Y711 HydrophobicContact CD2-CE1 3.5Å; F675-Y711 AromaticContact CD2-CE2 3.51Å; F675-Y711 HydrophobicContact CD2-CE2 3.51Å; F675-Y711 AromaticContact CD2-CG 3.88Å; F675-Y711 HydrophobicContact CD2-CG 3.88Å; F675-Y711 AromaticContact CD2-CZ 3.35Å; F675-Y711 AromaticContact CE2-CD1 3.71Å; F675-Y711 HydrophobicContact CE2-CD1 3.71Å; F675-Y711 AromaticContact CE2-CD2 3.87Å; F675-Y711 HydrophobicContact CE2-CD2 3.87Å; F675-Y711 AromaticContact CE2-CE1 3.92Å; F675-Y711 HydrophobicContact CE2-CE1 3.92Å; F675-Y711 HydrophobicContact CE2-CE2 4.11Å; F675-Y711 AromaticContact CE2-CG 3.64Å; F675-Y711 HydrophobicContact CE2-CG 3.64Å; K678-Y711 HydrophobicContact CD-CE2 4.09Å; L707-Y711 PolarHBondContact O-N 2.87Å; V708-Y711 PolarHBondContact O-N 3.32Å; D709-Y711 VanDerWaalsContact C-N 3.3Å; D709-Y711 PolarHBondContact O-N 2.82Å; Y711-E713 VanDerWaalsContact C-N 3.35Å; Y711-E714 PolarHBondContact O-N 3.32Å; Y711-I715 HydrophobicContact CD1-CD1 3.77Å; Y711-I715 HydrophobicContact CD1-CG1 4.47Å; Y711-I715 HydrophobicContact CE1-CD1 3.06Å; Y711-I715 HydrophobicContact CE1-CG1 4.12Å; Y711-I715 HydrophobicContact CE2-CD1 4.04Å; Y711-I715 PolarHBondContact O-N 3.47Å; Y711-I715 VanDerWaalsContact O-N 3.16Å; Y711-I715 WeakPolarHBondContact OH-CD1 3.43Å; Y711-L732 HydrophobicContact CD1-CD1 3.58Å; Y711-L732 HydrophobicContact CD1-CD2 3.31Å; Y711-L732 HydrophobicContact CD1-CG 4.06Å; Y711-L732 HydrophobicContact CE1-CD1 4.21Å; Y711-L732 HydrophobicContact CE1-CD2 3.43Å; Y711-L732 VanDerWaalsContact CE1-CD2 3.43Å; Y711-L732 HydrophobicContact CE1-CG 4.37Å; Y711-L732 HydrophobicContact CG-CD2 4.3Å
712	L	81.2	Confident	79.8	Confident	31 Å²	31	75.7 Å²	75.7	16%	0.162	37%	0.374	C	S	.	.	H	α-helix	trans	-64.9	-39.6	172.2	-72.4	171.3	0	0	0	111.3	V708 D709 E714 I715 S716 I719 K728 K729 L732	V708-L712 HydrophobicContact CG1-CD1 3.91Å; V708-L712 HydrophobicContact CG1-CG 4.43Å; V708-L712 WeakPolarHBondContact O-CG 3.43Å; V708-L712 PolarHBondContact O-N 2.78Å; D709-L712 PolarHBondContact O-N 2.83Å; L712-E714 VanDerWaalsContact C-N 3.35Å; L712-E714 PolarHBondContact O-N 3.25Å; L712-I715 CarbonylContact O-C 3.59Å; L712-I715 PolarHBondContact O-N 3.13Å; L712-S716 PolarHBondContact O-N 3.21Å; L712-I719 HydrophobicContact CD2-CD1 4.47Å; L712-K728 HydrophobicContact CD2-CB 4.42Å; L712-K729 HydrophobicContact CD1-CB 4.07Å; L712-K729 HydrophobicContact CD1-CD 4.26Å; L712-K729 HydrophobicContact CD1-CG 4.09Å; L712-L732 HydrophobicContact CD2-CD1 3.83Å; L712-L732 HydrophobicContact CG-CD1 4.1Å
713	E	83.2	Confident	80	Confident	137 Å²	137	81.4 Å²	81.4	64%	0.64	40%	0.4	S	S	*	.	H	α-helix	trans	-60.3	-43.8	173.1	-74.3	178.9	175.3	0	0	111.6	D709 W710 Y711 I715 S716	D709-E713 WeakPolarHBondContact O-CG 3.39Å; D709-E713 PolarHBondContact O-N 3.49Å; W710-E713 PolarHBondContact O-N 2.9Å; Y711-E713 VanDerWaalsContact C-N 3.35Å; E713-I715 PolarHBondContact O-N 2.9Å; E713-S716 WeakPolarHBondContact O-CB 3.43Å; E713-S716 PolarHBondContact O-N 3.2Å; E713-S716 PolarHBondContact O-OG 3.34Å
714	E	78.6	Confident	79.9	Confident	82 Å²	82	78.7 Å²	78.7	38%	0.383	39%	0.393	S	S	.	.	H	α-helix	trans	-67.3	-23.6	179.6	-149.9	-167.1	162.2	0	0	113.1	K678 W710 Y711 L712	K678-E714 VanDerWaalsContact NZ-CD 3.3Å; K678-E714 IonicContact NZ-OE1 2.75Å; K678-E714 PolarHBondContact NZ-OE1 2.85Å; K678-E714 IonicContact NZ-OE2 2.78Å; W710-E714 VanDerWaalsContact CH2-OE2 3.29Å; W710-E714 WeakPolarHBondContact CH2-OE2 3.39Å; W710-E714 PolarHBondContact O-N 2.77Å; Y711-E714 PolarHBondContact O-N 3.32Å; L712-E714 VanDerWaalsContact C-N 3.35Å; L712-E714 PolarHBondContact O-N 3.25Å
715	I	77.7	Confident	79.7	Confident	31 Å²	31	79.1 Å²	79.1	16%	0.159	40%	0.401	C	S	.	.	H	α-helix	trans	-100.6	-4.8	-179.4	-72.4	-171.4	0	0	0	112.7	Y711 L712 E713 E717 T718 I719 K728	Y711-I715 HydrophobicContact CD1-CD1 3.77Å; Y711-I715 HydrophobicContact CD1-CG1 4.47Å; Y711-I715 HydrophobicContact CE1-CD1 3.06Å; Y711-I715 HydrophobicContact CE1-CG1 4.12Å; Y711-I715 HydrophobicContact CE2-CD1 4.04Å; Y711-I715 PolarHBondContact O-N 3.47Å; Y711-I715 VanDerWaalsContact O-N 3.16Å; Y711-I715 WeakPolarHBondContact OH-CD1 3.43Å; L712-I715 CarbonylContact O-C 3.59Å; L712-I715 PolarHBondContact O-N 3.13Å; E713-I715 PolarHBondContact O-N 2.9Å; I715-E717 PolarHBondContact O-N 3.5Å; I715-T718 VanDerWaalsContact CG2-OG1 3.26Å; I715-T718 WeakPolarHBondContact CG2-OG1 3.44Å; I715-T718 PolarHBondContact O-N 3Å; I715-T718 PolarHBondContact O-OG1 3.27Å; I715-I719 HydrophobicContact CG2-CD1 4.02Å; I715-I719 HydrophobicContact CG2-CG1 3.94Å; I715-K728 HydrophobicContact CG2-CD 4.29Å
716	S	77.8	Confident	79.7	Confident	71 Å²	71	83.8 Å²	83.8	50%	0.497	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-48.6	-36.6	-177.2	58.8	0	0	0	0	113.8	L712 E713 T718 I719	L712-S716 PolarHBondContact O-N 3.21Å; E713-S716 WeakPolarHBondContact O-CB 3.43Å; E713-S716 PolarHBondContact O-N 3.2Å; E713-S716 PolarHBondContact O-OG 3.34Å; S716-T718 PolarHBondContact O-N 2.92Å; S716-T718 VanDerWaalsContact O-N 3.12Å; S716-I719 PolarHBondContact O-N 3.16Å
717	E	78.7	Confident	79.5	Confident	192 Å²	192	84.3 Å²	84.3	90%	0.897	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-63.5	-15.6	177.2	-62.1	-174.8	172.1	0	0	114.8	I715	I715-E717 PolarHBondContact O-N 3.5Å
718	T	78	Confident	79.5	Confident	91 Å²	91	87.1 Å²	87.1	56%	0.558	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-114.8	11.9	-178.7	49.5	0	0	0	0	113.4	I715 S716 K728	I715-T718 VanDerWaalsContact CG2-OG1 3.26Å; I715-T718 WeakPolarHBondContact CG2-OG1 3.44Å; I715-T718 PolarHBondContact O-N 3Å; I715-T718 PolarHBondContact O-OG1 3.27Å; S716-T718 PolarHBondContact O-N 2.92Å; S716-T718 VanDerWaalsContact O-N 3.12Å; T718-K728 PolarHBondContact O-NZ 3Å
719	I	76.1	Confident	79.5	Confident	38 Å²	38	90.8 Å²	90.8	20%	0.195	45%	0.446	C	S	.	.			trans	-108.1	108.4	177.9	-58.6	175.1	0	0	0	107.1	L712 I715 S716 S721 E724 A725 K728	L712-I719 HydrophobicContact CD2-CD1 4.47Å; I715-I719 HydrophobicContact CG2-CD1 4.02Å; I715-I719 HydrophobicContact CG2-CG1 3.94Å; S716-I719 PolarHBondContact O-N 3.16Å; I719-S721 VanDerWaalsContact CG2-O 3.26Å; I719-S721 WeakPolarHBondContact CG2-O 3.49Å; I719-E724 HydrophobicContact CG2-CB 4.33Å; I719-A725 HydrophobicContact CG2-CB 3.82Å; I719-K728 HydrophobicContact CD1-CD 4.24Å; I719-K728 HydrophobicContact CG1-CD 3.99Å
720	E	75.7	Confident	79.4	Confident	188 Å²	188	91.3 Å²	91.3	88%	0.879	45%	0.446	S	S	*	.			trans	-91.3	-22	-178.7	-65.1	-178.4	-174.9	0	0	112.1	E724	E720-E724 PolarHBondContact N-OE2 3.31Å
721	S	80.7	Confident	79	Confident	52 Å²	52	90.1 Å²	90.1	36%	0.364	44%	0.444	S	S	.	.	S	Bend	trans	-131.7	148.2	-176.1	176.6	0	0	0	0	113	I719 E723 E724 A725	I719-S721 VanDerWaalsContact CG2-O 3.26Å; I719-S721 WeakPolarHBondContact CG2-O 3.49Å; S721-E723 VanDerWaalsContact C-N 3.27Å; S721-E723 PolarHBondContact O-N 3.19Å; S721-E723 PolarHBondContact OG-N 3.07Å; S721-E724 WeakPolarHBondContact O-CB 3.24Å; S721-E724 PolarHBondContact O-N 2.91Å; S721-A725 PolarHBondContact O-N 2.89Å; S721-A725 VanDerWaalsContact O-N 3.15Å
722	E	81.7	Confident	78.9	Confident	176 Å²	176	89.5 Å²	89.5	82%	0.822	44%	0.442	S	S	*	.	H	α-helix	trans	-62.1	-34.6	174	-171.4	175.1	-176.2	0	0	112	E724 A725 F726	E722-E724 VanDerWaalsContact C-N 3.34Å; E722-E724 PolarHBondContact O-N 2.97Å; E722-A725 WeakPolarHBondContact O-CB 3.47Å; E722-A725 PolarHBondContact O-N 3.47Å; E722-F726 PolarHBondContact O-N 3.34Å
723	E	80.1	Confident	79	Confident	141 Å²	141	91.1 Å²	91.1	66%	0.659	45%	0.449	S	S	*	.	H	α-helix	trans	-65.1	-38.8	175.7	-65.5	-178.6	176.2	0	0	111.6	S721 A725 F726 Q727	S721-E723 VanDerWaalsContact C-N 3.27Å; S721-E723 PolarHBondContact O-N 3.19Å; S721-E723 PolarHBondContact OG-N 3.07Å; E723-A725 VanDerWaalsContact C-N 3.31Å; E723-A725 PolarHBondContact O-N 3.29Å; E723-F726 PolarHBondContact O-N 2.99Å; E723-Q727 WeakPolarHBondContact O-CG 3.41Å; E723-Q727 PolarHBondContact O-N 3.23Å
724	E	78.1	Confident	78.8	Confident	78 Å²	78	88.2 Å²	88.2	36%	0.364	44%	0.435	S	S	.	.	H	α-helix	trans	-67	-34.7	174.9	-69.7	-173.3	167.6	0	0	111.8	I719 E720 S721 E722 K728	I719-E724 HydrophobicContact CG2-CB 4.33Å; E720-E724 PolarHBondContact N-OE2 3.31Å; S721-E724 WeakPolarHBondContact O-CB 3.24Å; S721-E724 PolarHBondContact O-N 2.91Å; E722-E724 VanDerWaalsContact C-N 3.34Å; E722-E724 PolarHBondContact O-N 2.97Å; E724-K728 VanDerWaalsContact O-CB 3.28Å; E724-K728 WeakPolarHBondContact O-CB 3.46Å; E724-K728 VanDerWaalsContact O-CG 3.25Å; E724-K728 WeakPolarHBondContact O-CG 3.34Å; E724-K728 PolarHBondContact O-N 2.89Å
725	A	76.4	Confident	78.7	Confident	31 Å²	31	84.7 Å²	84.7	26%	0.256	42%	0.418	S	S	.	.	H	α-helix	trans	-62.4	-45.4	175	0	0	0	0	0	110.7	I719 S721 E722 E723 K728 K729	I719-A725 HydrophobicContact CG2-CB 3.82Å; S721-A725 PolarHBondContact O-N 2.89Å; S721-A725 VanDerWaalsContact O-N 3.15Å; E722-A725 WeakPolarHBondContact O-CB 3.47Å; E722-A725 PolarHBondContact O-N 3.47Å; E723-A725 VanDerWaalsContact C-N 3.31Å; E723-A725 PolarHBondContact O-N 3.29Å; A725-K728 PolarHBondContact O-N 3.35Å; A725-K729 WeakPolarHBondContact O-CB 3.25Å; A725-K729 PolarHBondContact O-N 3.1Å
726	F	81.2	Confident	78.6	Confident	142 Å²	142	83.2 Å²	83.2	62%	0.623	41%	0.411	S	S	*	.	H	α-helix	trans	-65.5	-45.6	179.1	-165.7	-92	0	0	0	111.8	E722 E723 K728 K729 E730	E722-F726 PolarHBondContact O-N 3.34Å; E723-F726 PolarHBondContact O-N 2.99Å; F726-K728 PolarHBondContact O-N 2.95Å; F726-K729 WeakPolarHBondContact O-CB 3.23Å; F726-K729 PolarHBondContact O-N 3.33Å; F726-E730 PolarHBondContact O-N 2.89Å
727	Q	77.7	Confident	78.5	Confident	112 Å²	112	85.6 Å²	85.6	52%	0.523	41%	0.409	S	S	.	.	H	α-helix	trans	-61.4	-44.3	175.8	-71.4	176.5	14.3	0	0	112	E723 K729 E730 M731	E723-Q727 WeakPolarHBondContact O-CG 3.41Å; E723-Q727 PolarHBondContact O-N 3.23Å; Q727-K729 VanDerWaalsContact C-N 3.35Å; Q727-K729 PolarHBondContact O-N 2.97Å; Q727-E730 PolarHBondContact O-N 3.48Å; Q727-M731 WeakPolarHBondContact O-CB 3.26Å; Q727-M731 WeakPolarHBondContact O-CG 3.5Å; Q727-M731 PolarHBondContact O-N 3.09Å
728	K	79.4	Confident	78.1	Confident	65 Å²	65	79.4 Å²	79.4	28%	0.283	38%	0.377	S	S	.	.	H	α-helix	trans	-63.5	-40.4	176.3	-76.3	172.8	-178.1	168.8	0	111.2	L712 I715 T718 I719 E724 A725 F726 M731 L732	L712-K728 HydrophobicContact CD2-CB 4.42Å; I715-K728 HydrophobicContact CG2-CD 4.29Å; T718-K728 PolarHBondContact O-NZ 3Å; I719-K728 HydrophobicContact CD1-CD 4.24Å; I719-K728 HydrophobicContact CG1-CD 3.99Å; E724-K728 VanDerWaalsContact O-CB 3.28Å; E724-K728 WeakPolarHBondContact O-CB 3.46Å; E724-K728 VanDerWaalsContact O-CG 3.25Å; E724-K728 WeakPolarHBondContact O-CG 3.34Å; E724-K728 PolarHBondContact O-N 2.89Å; A725-K728 PolarHBondContact O-N 3.35Å; F726-K728 PolarHBondContact O-N 2.95Å; K728-M731 PolarHBondContact O-N 2.92Å; K728-L732 WeakPolarHBondContact O-CB 3.44Å; K728-L732 WeakPolarHBondContact O-CD1 3.29Å; K728-L732 WeakPolarHBondContact O-CG 3.37Å; K728-L732 PolarHBondContact O-N 3.41Å
729	K	82.5	Confident	77.8	Confident	78 Å²	78	75.1 Å²	75.1	34%	0.339	35%	0.351	S	S	.	.	H	α-helix	trans	-60.1	-48.7	175.8	-176.5	175.4	-177.7	171.6	0	111.6	V708 L712 A725 F726 Q727 M731 L732 Q733	V708-K729 HydrophobicContact CG1-CG 3.94Å; L712-K729 HydrophobicContact CD1-CB 4.07Å; L712-K729 HydrophobicContact CD1-CD 4.26Å; L712-K729 HydrophobicContact CD1-CG 4.09Å; A725-K729 WeakPolarHBondContact O-CB 3.25Å; A725-K729 PolarHBondContact O-N 3.1Å; F726-K729 WeakPolarHBondContact O-CB 3.23Å; F726-K729 PolarHBondContact O-N 3.33Å; Q727-K729 VanDerWaalsContact C-N 3.35Å; Q727-K729 PolarHBondContact O-N 2.97Å; K729-M731 VanDerWaalsContact C-N 3.34Å; K729-M731 PolarHBondContact O-N 3.49Å; K729-L732 PolarHBondContact O-N 3.03Å; K729-Q733 WeakPolarHBondContact O-CG 3.39Å; K729-Q733 PolarHBondContact O-N 3.2Å
730	E	80.7	Confident	77.8	Confident	82 Å²	82	74.4 Å²	74.4	38%	0.383	35%	0.348	S	S	.	.	H	α-helix	trans	-62.5	-42.7	178.1	-163.5	-167.3	149.1	0	0	111.4	F726 Q727 L732 Q733 K734	F726-E730 PolarHBondContact O-N 2.89Å; Q727-E730 PolarHBondContact O-N 3.48Å; E730-L732 VanDerWaalsContact C-N 3.34Å; E730-L732 PolarHBondContact O-N 3.19Å; E730-Q733 PolarHBondContact O-N 2.98Å; E730-K734 WeakPolarHBondContact O-CG 3.43Å; E730-K734 PolarHBondContact O-N 3.2Å; E730-K734 VanDerWaalsContact O-N 3.08Å; E730-K734 VanDerWaalsContact OE1-CE 3.29Å; E730-K734 WeakPolarHBondContact OE1-CE 3.41Å; E730-K734 IonicContact OE1-NZ 2.77Å; E730-K734 PolarHBondContact OE1-NZ 3.48Å
731	M	73.9	Confident	77.6	Confident	51 Å²	51	71.9 Å²	71.9	25%	0.251	34%	0.336	S	S	.	.	H	α-helix	trans	-60.1	-42.3	175	-68.8	-102.8	-88.2	0	0	111.7	L633 A665 L667 Q727 K728 K729 K734 I735	L633-M731 HydrophobicContact CD1-SD 3.68Å; A665-M731 HydrophobicContact CB-CE 4.38Å; A665-M731 HydrophobicContact CB-SD 3.82Å; L667-M731 HydrophobicContact CD1-CB 4.38Å; L667-M731 HydrophobicContact CD1-CE 3.22Å; L667-M731 HydrophobicContact CD1-SD 3.48Å; L667-M731 WeakPolarHBondContact CD1-SD 3.42Å; L667-M731 HydrophobicContact CD2-CE 4.2Å; L667-M731 HydrophobicContact CG-CE 3.56Å; L667-M731 HydrophobicContact CG-SD 4.4Å; Q727-M731 WeakPolarHBondContact O-CB 3.26Å; Q727-M731 WeakPolarHBondContact O-CG 3.5Å; Q727-M731 PolarHBondContact O-N 3.09Å; K728-M731 PolarHBondContact O-N 2.92Å; K729-M731 VanDerWaalsContact C-N 3.34Å; K729-M731 PolarHBondContact O-N 3.49Å; M731-K734 PolarHBondContact O-N 3.15Å; M731-I735 WeakPolarHBondContact O-CG1 3.4Å; M731-I735 PolarHBondContact O-N 3.22Å
732	L	78.3	Confident	76.8	Confident	10 Å²	10	74.4 Å²	74.4	5%	0.052	34%	0.342	C	S	.	.	H	α-helix	trans	-65.8	-41.3	178.3	-72.9	162.7	0	0	0	112.6	F675 Y711 L712 K728 K729 E730 K734 I735 I736	F675-L732 HydrophobicContact CD2-CD2 3.7Å; F675-L732 HydrophobicContact CE2-CD2 3.35Å; F675-L732 HydrophobicContact CG-CD2 4.4Å; F675-L732 HydrophobicContact CZ-CD2 3.82Å; Y711-L732 HydrophobicContact CD1-CD1 3.58Å; Y711-L732 HydrophobicContact CD1-CD2 3.31Å; Y711-L732 HydrophobicContact CD1-CG 4.06Å; Y711-L732 HydrophobicContact CE1-CD1 4.21Å; Y711-L732 HydrophobicContact CE1-CD2 3.43Å; Y711-L732 VanDerWaalsContact CE1-CD2 3.43Å; Y711-L732 HydrophobicContact CE1-CG 4.37Å; Y711-L732 HydrophobicContact CG-CD2 4.3Å; L712-L732 HydrophobicContact CD2-CD1 3.83Å; L712-L732 HydrophobicContact CG-CD1 4.1Å; K728-L732 WeakPolarHBondContact O-CB 3.44Å; K728-L732 WeakPolarHBondContact O-CD1 3.29Å; K728-L732 WeakPolarHBondContact O-CG 3.37Å; K728-L732 PolarHBondContact O-N 3.41Å; K729-L732 PolarHBondContact O-N 3.03Å; E730-L732 VanDerWaalsContact C-N 3.34Å; E730-L732 PolarHBondContact O-N 3.19Å; L732-K734 VanDerWaalsContact C-N 3.3Å; L732-K734 PolarHBondContact O-N 3.48Å; L732-I735 PolarHBondContact O-N 3.34Å; L732-I736 VanDerWaalsContact O-CG1 3.31Å; L732-I736 WeakPolarHBondContact O-CG1 3.32Å; L732-I736 PolarHBondContact O-N 3.06Å
733	Q	82	Confident	76.1	Confident	65 Å²	65	69.7 Å²	69.7	30%	0.304	32%	0.323	S	S	.	.	H	α-helix	trans	-60	-43.8	175.3	-70.8	-179	-22.4	0	0	111	F704 V708 K729 E730 I736 R737	F704-Q733 HydrophobicContact CE1-CB 4.37Å; F704-Q733 HydrophobicContact CE1-CG 3.81Å; F704-Q733 HydrophobicContact CZ-CB 3.89Å; F704-Q733 HydrophobicContact CZ-CG 3.82Å; V708-Q733 HydrophobicContact CG2-CG 4.26Å; K729-Q733 WeakPolarHBondContact O-CG 3.39Å; K729-Q733 PolarHBondContact O-N 3.2Å; E730-Q733 PolarHBondContact O-N 2.98Å; Q733-I736 PolarHBondContact O-N 3.49Å; Q733-R737 WeakPolarHBondContact O-CG 3.25Å; Q733-R737 PolarHBondContact O-N 3.47Å
734	K	78.4	Confident	75.4	Confident	77 Å²	77	68 Å²	68	34%	0.335	32%	0.318	S	S	.	.	H	α-helix	trans	-63.4	-42.4	174.9	-69	177.7	-174.3	173	0	112.1	L633 E730 M731 L732 R738	L633-K734 HydrophobicContact CB-CD 4.35Å; L633-K734 HydrophobicContact CD1-CB 4.35Å; L633-K734 HydrophobicContact CD2-CB 4.24Å; E730-K734 WeakPolarHBondContact O-CG 3.43Å; E730-K734 PolarHBondContact O-N 3.2Å; E730-K734 VanDerWaalsContact O-N 3.08Å; E730-K734 VanDerWaalsContact OE1-CE 3.29Å; E730-K734 WeakPolarHBondContact OE1-CE 3.41Å; E730-K734 IonicContact OE1-NZ 2.77Å; E730-K734 PolarHBondContact OE1-NZ 3.48Å; M731-K734 PolarHBondContact O-N 3.15Å; L732-K734 VanDerWaalsContact C-N 3.3Å; L732-K734 PolarHBondContact O-N 3.48Å; K734-R738 WeakPolarHBondContact O-CB 3.28Å; K734-R738 PolarHBondContact O-N 2.97Å
735	I	76.7	Confident	75.1	Confident	7 Å²	7	64.8 Å²	64.8	4%	0.036	30%	0.304	C	S	.	.	H	α-helix	trans	-62.7	-47.3	176.8	-66	162.7	0	0	0	110.8	L633 L667 L672 F675 M731 L732 R737 R738 L739	L633-I735 HydrophobicContact CD1-CG1 4.43Å; L633-I735 HydrophobicContact CD2-CG1 4.14Å; L667-I735 HydrophobicContact CD1-CD1 3.97Å; L667-I735 HydrophobicContact CD1-CG1 4.46Å; L672-I735 HydrophobicContact CD1-CG1 4.06Å; L672-I735 HydrophobicContact CD1-CG2 3.82Å; L672-I735 HydrophobicContact CG-CG2 4.39Å; F675-I735 HydrophobicContact CD1-CG2 3.48Å; F675-I735 VanDerWaalsContact CD1-CG2 3.48Å; F675-I735 HydrophobicContact CE1-CB 4.38Å; F675-I735 HydrophobicContact CE1-CG2 3.59Å; M731-I735 WeakPolarHBondContact O-CG1 3.4Å; M731-I735 PolarHBondContact O-N 3.22Å; L732-I735 PolarHBondContact O-N 3.34Å; I735-R737 PolarHBondContact O-N 2.93Å; I735-R738 WeakPolarHBondContact O-CB 3.48Å; I735-R738 PolarHBondContact O-N 3.19Å; I735-R738 VanDerWaalsContact O-N 3.16Å; I735-L739 HydrophobicContact CG2-CD1 4.16Å; I735-L739 HydrophobicContact CG2-CG 4.32Å; I735-L739 VanDerWaalsContact O-CG 3.31Å; I735-L739 WeakPolarHBondContact O-CG 3.37Å; I735-L739 PolarHBondContact O-N 3.26Å
736	I	76.6	Confident	74.9	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-64.3	-43.4	-178.5	-65.3	165.7	0	0	0	110.9	F675 F704 L707 V708 L732 Q733 R738 L739 V740 L746 I759	F675-I736 HydrophobicContact CE1-CG1 3.92Å; F675-I736 HydrophobicContact CZ-CD1 4.09Å; F675-I736 HydrophobicContact CZ-CG1 3.71Å; F704-I736 HydrophobicContact CD2-CB 4.37Å; F704-I736 HydrophobicContact CD2-CG2 3.61Å; F704-I736 HydrophobicContact CE2-CB 3.76Å; F704-I736 HydrophobicContact CE2-CD1 4.41Å; F704-I736 HydrophobicContact CE2-CG2 3.47Å; F704-I736 VanDerWaalsContact CE2-CG2 3.47Å; L707-I736 HydrophobicContact CD2-CD1 4.11Å; L707-I736 HydrophobicContact CG-CD1 4.44Å; V708-I736 HydrophobicContact CG2-CD1 3.52Å; L732-I736 VanDerWaalsContact O-CG1 3.31Å; L732-I736 WeakPolarHBondContact O-CG1 3.32Å; L732-I736 PolarHBondContact O-N 3.06Å; Q733-I736 PolarHBondContact O-N 3.49Å; I736-R738 VanDerWaalsContact C-N 3.27Å; I736-R738 PolarHBondContact O-N 3.16Å; I736-L739 WeakPolarHBondContact O-CB 3.37Å; I736-L739 PolarHBondContact O-N 2.9Å; I736-L739 VanDerWaalsContact O-N 3.11Å; I736-V740 WeakPolarHBondContact O-CG2 3.35Å; I736-V740 PolarHBondContact O-N 3.44Å; I736-L746 HydrophobicContact CG2-CD1 4.33Å; I736-I759 HydrophobicContact CG2-CD1 3.63Å
737	R	76.5	Confident	74.7	Confident	121 Å²	121	59.4 Å²	59.4	46%	0.457	28%	0.276	S	S	.	.	H	α-helix	trans	-58	-41.8	173.6	-74	-178.9	-176	-178.5	-0.4	111.4	D636 F704 Q733 I735 L739 V740 H741	D636-R737 IonicContact OD2-NH1 3.19Å; F704-R737 HydrophobicContact CE2-CG 4.38Å; Q733-R737 WeakPolarHBondContact O-CG 3.25Å; Q733-R737 PolarHBondContact O-N 3.47Å; I735-R737 PolarHBondContact O-N 2.93Å; R737-L739 VanDerWaalsContact C-N 3.35Å; R737-L739 PolarHBondContact O-N 3.43Å; R737-V740 PolarHBondContact O-N 3.03Å; R737-H741 PolarHBondContact O-CD2 2.85Å; R737-H741 VanDerWaalsContact O-CD2 3.27Å; R737-H741 PolarHBondContact O-N 3.17Å
738	R	68.9	Low	74.5	Confident	61 Å²	61	55.9 Å²	55.9	23%	0.23	27%	0.266	C	S	.	.	H	α-helix	trans	-61.2	-42	174.6	-175.6	178.9	178.2	132.2	-2.7	112.5	D632 K734 I735 I736 V740 H742 D743	D632-R738 PolarHBondContact O-NH1 3.37Å; K734-R738 WeakPolarHBondContact O-CB 3.28Å; K734-R738 PolarHBondContact O-N 2.97Å; I735-R738 WeakPolarHBondContact O-CB 3.48Å; I735-R738 PolarHBondContact O-N 3.19Å; I735-R738 VanDerWaalsContact O-N 3.16Å; I736-R738 VanDerWaalsContact C-N 3.27Å; I736-R738 PolarHBondContact O-N 3.16Å; R738-V740 VanDerWaalsContact C-N 3.29Å; R738-V740 PolarHBondContact O-N 3.32Å; R738-H742 HydrophobicContact CG-CB 4.17Å; R738-H742 WeakPolarHBondContact O-CA 3.34Å; R738-H742 WeakPolarHBondContact O-CB 3.43Å; R738-H742 PolarHBondContact O-N 3.34Å; R738-D743 PolarHBondContact O-N 2.71Å
739	L	73.1	Confident	74.1	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-66.1	-30.5	177.7	-68.4	179	0	0	0	113.5	F675 L676 I735 I736 R737 D743 N744 V745 L746	F675-L739 HydrophobicContact CD1-CD1 4.18Å; F675-L739 HydrophobicContact CE1-CD1 3.9Å; L676-L739 HydrophobicContact CD1-CD2 4.1Å; L676-L739 HydrophobicContact CD2-CD1 3.58Å; L676-L739 HydrophobicContact CD2-CD2 3.36Å; L676-L739 HydrophobicContact CD2-CG 4.08Å; L676-L739 HydrophobicContact CG-CD1 4.22Å; L676-L739 HydrophobicContact CG-CD2 3.92Å; I735-L739 HydrophobicContact CG2-CD1 4.16Å; I735-L739 HydrophobicContact CG2-CG 4.32Å; I735-L739 VanDerWaalsContact O-CG 3.31Å; I735-L739 WeakPolarHBondContact O-CG 3.37Å; I735-L739 PolarHBondContact O-N 3.26Å; I736-L739 WeakPolarHBondContact O-CB 3.37Å; I736-L739 PolarHBondContact O-N 2.9Å; I736-L739 VanDerWaalsContact O-N 3.11Å; R737-L739 VanDerWaalsContact C-N 3.35Å; R737-L739 PolarHBondContact O-N 3.43Å; L739-D743 HydrophobicContact CD2-CB 4.3Å; L739-N744 PolarHBondContact O-N 2.9Å; L739-V745 PolarHBondContact O-N 3.25Å; L739-V745 VanDerWaalsContact O-N 3.16Å; L739-L746 HydrophobicContact CB-CD1 3.83Å; L739-L746 HydrophobicContact CB-CG 4.18Å; L739-L746 HydrophobicContact CD1-CD1 3.91Å; L739-L746 PolarHBondContact O-N 3.3Å
740	V	75.2	Confident	73.3	Confident	23 Å²	23	53.5 Å²	53.5	14%	0.139	26%	0.263	C	S	.	.	H	α-helix	trans	-77.8	-49.7	176.1	174.5	0	0	0	0	111.2	I736 R737 R738 L746 A748	I736-V740 WeakPolarHBondContact O-CG2 3.35Å; I736-V740 PolarHBondContact O-N 3.44Å; R737-V740 PolarHBondContact O-N 3.03Å; R738-V740 VanDerWaalsContact C-N 3.29Å; R738-V740 PolarHBondContact O-N 3.32Å; V740-L746 WeakPolarHBondContact CA-O 3.39Å; V740-L746 HydrophobicContact CG2-CB 3.82Å; V740-A748 HydrophobicContact CG1-CB 4.09Å
741	H	70.4	Confident	72.1	Confident	135 Å²	135	54.7 Å²	54.7	63%	0.625	28%	0.276	S	S	*	.	H	α-helix	trans	-89.1	-36.4	-170.8	-67.7	-67.6	0	0	0	114.9	R737	R737-H741 PolarHBondContact O-CD2 2.85Å; R737-H741 VanDerWaalsContact O-CD2 3.27Å; R737-H741 PolarHBondContact O-N 3.17Å
742	H	65	Low	71.2	Confident	106 Å²	106	62.2 Å²	62.2	49%	0.491	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-52.6	-174.9	-67.2	-87.1	0	0	0	112.1	R738	R738-H742 HydrophobicContact CG-CB 4.17Å; R738-H742 WeakPolarHBondContact O-CA 3.34Å; R738-H742 WeakPolarHBondContact O-CB 3.43Å; R738-H742 PolarHBondContact O-N 3.34Å
743	D	66.5	Low	70.2	Confident	77 Å²	77	70.6 Å²	70.6	41%	0.412	35%	0.349	S	S	.	.	S	Bend	trans	-87.6	-15.6	-170.5	-61	-31.5	0	0	0	112.8	R738 L739 V745	R738-D743 PolarHBondContact O-N 2.71Å; L739-D743 HydrophobicContact CD2-CB 4.3Å; D743-V745 HydrophobicContact CB-CG2 3.82Å; D743-V745 PolarHBondContact O-N 3.05Å; D743-V745 VanDerWaalsContact O-N 3.1Å
744	N	65.6	Low	69.3	Low	104 Å²	104	71.9 Å²	71.9	56%	0.556	36%	0.358	S	S	*	.			trans	50.5	28.3	-176	-59.6	-67.4	0	0	0	113.4	L739 H762	L739-N744 PolarHBondContact O-N 2.9Å; N744-H762 WeakPolarHBondContact O-CB 3.27Å
745	V	72.1	Confident	68.7	Low	12 Å²	12	73.2 Å²	73.2	7%	0.073	38%	0.384	C	S	.	.	S	Bend	trans	-76	-35.9	176.6	176.4	0	0	0	0	109.6	L676 T680 L739 D743 H762 Y765	L676-V745 HydrophobicContact CD2-CG1 4.06Å; T680-V745 HydrophobicContact CG2-CG1 4.05Å; L739-V745 PolarHBondContact O-N 3.25Å; L739-V745 VanDerWaalsContact O-N 3.16Å; D743-V745 HydrophobicContact CB-CG2 3.82Å; D743-V745 PolarHBondContact O-N 3.05Å; D743-V745 VanDerWaalsContact O-N 3.1Å; V745-H762 WeakPolarHBondContact O-CB 3.34Å; V745-H762 PolarHBondContact O-N 2.91Å; V745-Y765 HydrophobicContact CG1-CD1 3.92Å; V745-Y765 HydrophobicContact CG1-CD2 4.16Å; V745-Y765 HydrophobicContact CG1-CE1 3.95Å; V745-Y765 HydrophobicContact CG1-CE2 4.2Å; V745-Y765 HydrophobicContact CG1-CG 4.02Å; V745-Y765 HydrophobicContact CG2-CD2 4.14Å; V745-Y765 HydrophobicContact CG2-CE2 3.97Å
746	L	72.8	Confident	68.5	Low	3 Å²	3	75.4 Å²	75.4	2%	0.016	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	139.3	179.6	-63.4	178.5	0	0	0	109.6	L683 I736 L739 V740 I759 V760 V761	L683-L746 HydrophobicContact CD1-CD2 3.54Å; I736-L746 HydrophobicContact CG2-CD1 4.33Å; L739-L746 HydrophobicContact CB-CD1 3.83Å; L739-L746 HydrophobicContact CB-CG 4.18Å; L739-L746 HydrophobicContact CD1-CD1 3.91Å; L739-L746 PolarHBondContact O-N 3.3Å; V740-L746 WeakPolarHBondContact CA-O 3.39Å; V740-L746 HydrophobicContact CG2-CB 3.82Å; L746-I759 HydrophobicContact CB-CG2 3.69Å; L746-I759 HydrophobicContact CD1-CG2 4.02Å; L746-I759 HydrophobicContact CD2-CG2 3.92Å; L746-I759 HydrophobicContact CG-CG2 4.07Å; L746-V760 CarbonylContact C-O 3.6Å; L746-V760 WeakPolarHBondContact CA-O 3.47Å; L746-V761 HydrophobicContact CD2-CG2 4.22Å
747	I	75.6	Confident	68.6	Low	56 Å²	56	76.6 Å²	76.6	29%	0.287	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125.8	176.5	-56.1	174.7	0	0	0	108	L749 I759 V760 H762	I747-L749 HydrophobicContact CG2-CD2 4.25Å; I747-I759 WeakPolarHBondContact O-CA 3.38Å; I747-V760 PolarHBondContact N-O 3.2Å; I747-V760 PolarHBondContact O-N 3.29Å; I747-H762 HydrophobicContact CD1-CB 4.07Å; I747-H762 HydrophobicContact CG1-CB 4.1Å
748	A	74.7	Confident	68.7	Low	38 Å²	38	72.9 Å²	72.9	31%	0.314	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	125	165.7	0	0	0	0	0	109.5	V740 P757 F758	V740-A748 HydrophobicContact CG1-CB 4.09Å; A748-P757 HydrophobicContact CB-CB 3.94Å; A748-P757 HydrophobicContact CB-CG 4.43Å; A748-F758 CarbonylContact C-O 3.59Å; A748-F758 WeakPolarHBondContact CA-O 3.39Å
749	L	70.3	Confident	69.1	Low	59 Å²	59	70 Å²	70	31%	0.309	38%	0.38	S	S	.	.			trans	-93.7	1.8	-175.7	-70.9	178.6	0	0	0	114.3	M699 P700 I747 F758 V760	M699-L749 HydrophobicContact CE-CB 4.32Å; M699-L749 WeakPolarHBondContact CE-O 3.29Å; M699-L749 HydrophobicContact SD-CB 4.47Å; P700-L749 WeakPolarHBondContact O-CD1 3.29Å; I747-L749 HydrophobicContact CG2-CD2 4.25Å; L749-F758 HydrophobicContact CB-CB 4.17Å; L749-F758 PolarHBondContact N-O 3.32Å; L749-V760 HydrophobicContact CD1-CB 4.18Å; L749-V760 HydrophobicContact CD1-CG2 3.41Å; L749-V760 VanDerWaalsContact CD1-CG2 3.41Å; L749-V760 HydrophobicContact CG-CG2 4.19Å
750	S	64.9	Low	69.3	Low	35 Å²	35	71 Å²	71	25%	0.245	39%	0.386	C	S	.	.	S	Bend	trans	-105.5	162.9	179	55.9	0	0	0	0	113.3	D754 P757	S750-D754 VanDerWaalsContact CB-OD2 3.27Å; S750-D754 WeakPolarHBondContact CB-OD2 3.21Å; S750-P757 VanDerWaalsContact OG-CA 3.26Å; S750-P757 WeakPolarHBondContact OG-CA 3.14Å; S750-P757 WeakPolarHBondContact OG-CB 3.49Å
751	T	56.5	Low	69.2	Low	107 Å²	107	70.4 Å²	70.4	66%	0.656	38%	0.382	S	S	*	.			trans	-65.1	152	170.8	36.4	0	0	0	0	111.1	E753 D754	T751-E753 PolarHBondContact O-N 3.42Å; T751-D754 PolarHBondContact O-N 3.46Å
752	E	54.7	Low	69.3	Low	208 Å²	208	66.7 Å²	66.7	97%	0.972	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-5.1	-169.8	-64.3	176.5	165.3	0	0	115.8
753	E	56.9	Low	69.5	Low	186 Å²	186	66.7 Å²	66.7	87%	0.869	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-9.5	-177.4	-62.7	179.8	175.6	0	0	114.4	T751 A755	T751-E753 PolarHBondContact O-N 3.42Å; E753-A755 PolarHBondContact O-N 2.82Å
754	D	63	Low	69.4	Low	92 Å²	92	69.4 Å²	69.4	49%	0.492	39%	0.389	S	S	.	.			trans	-85.4	116.7	-177.4	-74.2	-35.4	0	0	0	112	S750 T751 D756	S750-D754 VanDerWaalsContact CB-OD2 3.27Å; S750-D754 WeakPolarHBondContact CB-OD2 3.21Å; T751-D754 PolarHBondContact O-N 3.46Å; D754-D756 PolarHBondContact O-N 2.95Å; D754-D756 VanDerWaalsContact O-N 3.13Å
755	A	66.9	Low	69.4	Low	106 Å²	106	67.8 Å²	67.8	88%	0.876	38%	0.376	S	S	*	.	S	Bend	trans	-63.8	-14.9	178	0	0	0	0	0	114.6	E753	E753-A755 PolarHBondContact O-N 2.82Å
756	D	72.5	Confident	68.8	Low	52 Å²	52	71.8 Å²	71.8	28%	0.278	40%	0.4	S	S	.	.	S	Bend	trans	-135.9	74.9	-178.7	-167.6	13.4	0	0	0	110.9	F704 S705 D754	F704-D756 WeakPolarHBondContact CA-OD1 3.31Å; F704-D756 VanDerWaalsContact CB-OD1 3.26Å; F704-D756 WeakPolarHBondContact CB-OD1 3.3Å; F704-D756 PolarHBondContact N-OD1 3.01Å; S705-D756 WeakPolarHBondContact CB-OD2 3.35Å; S705-D756 PolarHBondContact N-OD1 2.78Å; S705-D756 PolarHBondContact OG-OD1 3.29Å; S705-D756 PolarHBondContact OG-OD2 3.47Å; D754-D756 PolarHBondContact O-N 2.95Å; D754-D756 VanDerWaalsContact O-N 3.13Å
757	P	77.5	Confident	68.1	Low	27 Å²	27	72.7 Å²	72.7	18%	0.175	41%	0.405	C	S	.	.			trans	-68.2	150.6	-174.7	27.8	-35.6	0	0	0	112.4	F704 A748 S750	F704-P757 HydrophobicContact CB-CG 4.21Å; F704-P757 PolarHBondContact N-O 3.41Å; F704-P757 VanDerWaalsContact N-O 3.11Å; A748-P757 HydrophobicContact CB-CB 3.94Å; A748-P757 HydrophobicContact CB-CG 4.43Å; S750-P757 VanDerWaalsContact OG-CA 3.26Å; S750-P757 WeakPolarHBondContact OG-CA 3.14Å; S750-P757 WeakPolarHBondContact OG-CB 3.49Å
758	F	79.4	Confident	67	Low	42 Å²	42	79.4 Å²	79.4	18%	0.184	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	125.1	168.4	-75.4	-83.6	0	0	0	110.1	R703 A748 L749	R703-F758 HydrophobicContact CG-CD1 4.25Å; R703-F758 HydrophobicContact CG-CE1 3.9Å; R703-F758 HydrophobicContact CG-CZ 4.26Å; A748-F758 CarbonylContact C-O 3.59Å; A748-F758 WeakPolarHBondContact CA-O 3.39Å; L749-F758 HydrophobicContact CB-CB 4.17Å; L749-F758 PolarHBondContact N-O 3.32Å
759	I	77.2	Confident	65.7	Low	1 Å²	1	86 Å²	86	1%	0.005	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	133.4	-177.9	-51.7	178.7	0	0	0	110.4	V702 F704 L707 I736 L746 I747	V702-I759 PolarHBondContact N-O 2.94Å; V702-I759 PolarHBondContact O-N 2.97Å; F704-I759 HydrophobicContact CB-CD1 3.91Å; F704-I759 HydrophobicContact CB-CG1 4.41Å; F704-I759 HydrophobicContact CD2-CD1 3.79Å; F704-I759 HydrophobicContact CG-CD1 4.28Å; L707-I759 HydrophobicContact CD2-CD1 4.24Å; I736-I759 HydrophobicContact CG2-CD1 3.63Å; L746-I759 HydrophobicContact CB-CG2 3.69Å; L746-I759 HydrophobicContact CD1-CG2 4.02Å; L746-I759 HydrophobicContact CD2-CG2 3.92Å; L746-I759 HydrophobicContact CG-CG2 4.07Å; I747-I759 WeakPolarHBondContact O-CA 3.38Å
760	V	76.7	Confident	64.2	Low	23 Å²	23	91.6 Å²	91.6	14%	0.139	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	149.3	174.2	172.7	0	0	0	0	110.3	P700 L746 I747 L749	P700-V760 WeakPolarHBondContact O-CG2 3.47Å; L746-V760 CarbonylContact C-O 3.6Å; L746-V760 WeakPolarHBondContact CA-O 3.47Å; I747-V760 PolarHBondContact N-O 3.2Å; I747-V760 PolarHBondContact O-N 3.29Å; L749-V760 HydrophobicContact CD1-CB 4.18Å; L749-V760 HydrophobicContact CD1-CG2 3.41Å; L749-V760 VanDerWaalsContact CD1-CG2 3.41Å; L749-V760 HydrophobicContact CG-CG2 4.19Å
761	V	74.4	Confident	64.1	Low	9 Å²	9	94.4 Å²	94.4	6%	0.055	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	132.8	175.1	-179.1	0	0	0	0	109.2	T680 L683 L746 Y765	T680-V761 HydrophobicContact CG2-CG2 4.45Å; L683-V761 HydrophobicContact CB-CG2 3.55Å; L683-V761 HydrophobicContact CD1-CG2 3.65Å; L683-V761 HydrophobicContact CG-CG2 4.25Å; L746-V761 HydrophobicContact CD2-CG2 4.22Å; V761-Y765 HydrophobicContact CG1-CD1 4.39Å
762	H	72.8	Confident	64.5	Low	57 Å²	57	93.7 Å²	93.7	26%	0.264	49%	0.487	S	S	.	.			trans	-58.1	128	177.7	-171.7	-72.9	0	0	0	110	N744 V745 I747 N764 Y765	N744-H762 WeakPolarHBondContact O-CB 3.27Å; V745-H762 WeakPolarHBondContact O-CB 3.34Å; V745-H762 PolarHBondContact O-N 2.91Å; I747-H762 HydrophobicContact CD1-CB 4.07Å; I747-H762 HydrophobicContact CG1-CB 4.1Å; H762-N764 WeakPolarHBondContact ND1-CB 3.26Å; H762-N764 PolarHBondContact ND1-N 2.71Å; H762-N764 VanDerWaalsContact ND1-N 3.12Å; H762-N764 PolarHBondContact O-N 3.25Å; H762-Y765 WeakPolarHBondContact O-CB 3.26Å; H762-Y765 PolarHBondContact O-N 2.92Å
763	P	67.9	Low	65.1	Low	107 Å²	107	87.4 Å²	87.4	70%	0.695	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-22.1	-171.9	20.9	-32.2	0	0	0	114
764	N	64.6	Low	65.6	Low	134 Å²	134	81.6 Å²	81.6	72%	0.717	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-4.5	175.2	-60.5	-14.8	0	0	0	114.6	H762 V766	H762-N764 WeakPolarHBondContact ND1-CB 3.26Å; H762-N764 PolarHBondContact ND1-N 2.71Å; H762-N764 VanDerWaalsContact ND1-N 3.12Å; H762-N764 PolarHBondContact O-N 3.25Å; N764-V766 PolarHBondContact O-N 3.48Å
765	Y	65.7	Low	65.7	Low	69 Å²	69	80.9 Å²	80.9	27%	0.271	43%	0.433	S	S	.	.			trans	-84	114.5	178.7	-172.4	-101.6	0	0	0	109.7	T680 R684 V745 V761 H762 L767	T680-Y765 HydrophobicContact CG2-CD1 4.25Å; T680-Y765 HydrophobicContact CG2-CE1 3.98Å; R684-Y765 PolarHBondContact NH2-O 3.49Å; V745-Y765 HydrophobicContact CG1-CD1 3.92Å; V745-Y765 HydrophobicContact CG1-CD2 4.16Å; V745-Y765 HydrophobicContact CG1-CE1 3.95Å; V745-Y765 HydrophobicContact CG1-CE2 4.2Å; V745-Y765 HydrophobicContact CG1-CG 4.02Å; V745-Y765 HydrophobicContact CG2-CD2 4.14Å; V745-Y765 HydrophobicContact CG2-CE2 3.97Å; V761-Y765 HydrophobicContact CG1-CD1 4.39Å; H762-Y765 WeakPolarHBondContact O-CB 3.26Å; H762-Y765 PolarHBondContact O-N 2.92Å; Y765-L767 HydrophobicContact CE1-CD2 4.24Å; Y765-L767 HydrophobicContact CE1-CG 4.46Å
766	V	59.7	Low	65.6	Low	97 Å²	97	79.3 Å²	79.3	59%	0.588	40%	0.403	S	S	*	.			trans	-106.3	128.9	175	-177.1	0	0	0	0	107.6	N764 E768	N764-V766 PolarHBondContact O-N 3.48Å; V766-E768 PolarHBondContact O-N 2.71Å
767	L	57.5	Low	65.1	Low	21 Å²	21	81.2 Å²	81.2	11%	0.11	41%	0.412	C	S	.	.			trans	-67	128.8	171.2	-79.2	161.6	0	0	0	108.3	T680 Y765 E769 E770	T680-L767 WeakPolarHBondContact OG1-CD2 3.34Å; Y765-L767 HydrophobicContact CE1-CD2 4.24Å; Y765-L767 HydrophobicContact CE1-CG 4.46Å; L767-E769 PolarHBondContact O-N 3.12Å; L767-E770 PolarHBondContact O-N 3.25Å
768	E	53.9	Low	64.2	Low	197 Å²	197	85.4 Å²	85.4	92%	0.921	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	4.1	-179.9	-66.8	-178.5	159.4	0	0	113.7	V766	V766-E768 PolarHBondContact O-N 2.71Å
769	E	47.4	Very low	62.9	Low	177 Å²	177	89 Å²	89	83%	0.827	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	9.2	-176.6	-65	-176.5	164.5	0	0	114.8	L767	L767-E769 PolarHBondContact O-N 3.12Å
770	E	37.3	Very low	61.6	Low	176 Å²	176	97 Å²	97	82%	0.822	49%	0.492	S	S	*	.			trans	-102.1	0	163.9	-75.7	-178	151.2	0	0	110.4	R684 R688 L767	R684-E770 IonicContact NH1-OE2 3.93Å; R684-E770 PolarHBondContact NH1-OE2 2.92Å; R688-E770 IonicContact NH2-OE1 3.88Å; L767-E770 PolarHBondContact O-N 3.25Å

Retrieved 770 of 770 residues in 720.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).