A0A077ZAL5_TRITR Loading...

DUF2365 and RPE65 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZAL5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 626 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	41	Very low	72.4	Confident	195 Å²	195	66.9 Å²	66.9	96%	0.961	37%	0.368	S	S	*	.				0	47.6	0	-77.4	178.2	-174.6	0	0	107.8	Y3	M1-Y3 PolarHBondContact O-N 3.23Å
2	D	53.2	Low	74.1	Confident	25 Å²	25	71.3 Å²	71.3	13%	0.134	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	14.4	-152.9	-61.9	1.6	0	0	0	114.4	R34 A503	D2-R34 WeakPolarHBondContact OD2-CD 3.22Å; D2-R34 IonicContact OD2-NE 3.73Å; D2-A503 HydrophobicContact CB-CB 3.93Å
3	Y	60.8	Low	75.6	Confident	32 Å²	32	68.5 Å²	68.5	13%	0.125	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.6	26.5	-166.2	-45.9	-71.7	0	0	0	112.9	M1 L74 L77 K78	M1-Y3 PolarHBondContact O-N 3.23Å; Y3-L74 HydrophobicContact CD1-CD1 4.12Å; Y3-L77 HydrophobicContact CE1-CB 3.65Å; Y3-L77 HydrophobicContact CE1-CD1 4.47Å; Y3-L77 VanDerWaalsContact CZ-C 3.47Å; Y3-L77 VanDerWaalsContact CZ-O 3.27Å; Y3-L77 VanDerWaalsContact OH-C 3.22Å; Y3-L77 WeakPolarHBondContact OH-CB 3.45Å; Y3-L77 PolarHBondContact OH-O 2.89Å; Y3-K78 HydrophobicContact CD1-CG 4.13Å; Y3-K78 HydrophobicContact CD2-CB 4.33Å; Y3-K78 HydrophobicContact CD2-CG 3.45Å; Y3-K78 VanDerWaalsContact CD2-CG 3.45Å; Y3-K78 HydrophobicContact CE2-CB 4.45Å; Y3-K78 HydrophobicContact CE2-CG 3.99Å; Y3-K78 HydrophobicContact CG-CD 4.38Å; Y3-K78 HydrophobicContact CG-CG 3.54Å
4	N	63.2	Low	76.9	Confident	103 Å²	103	72.6 Å²	72.6	55%	0.551	39%	0.386	S	S	*	.			trans	-82.1	132.3	177.1	-76.2	-8.9	0	0	0	110.6
5	E	72.3	Confident	78.2	Confident	62 Å²	62	79.7 Å²	79.7	29%	0.29	41%	0.413	S	S	.	.			trans	-78	144.1	169.6	-66.5	-174.4	162.3	0	0	109.4	P7 S66 R67 F68	E5-P7 VanDerWaalsContact O-CD 3.24Å; E5-P7 WeakPolarHBondContact O-CD 3.39Å; E5-S66 VanDerWaalsContact CB-O 3.29Å; E5-S66 WeakPolarHBondContact CB-O 3.02Å; E5-R67 WeakPolarHBondContact OE2-CD 3.05Å; E5-R67 IonicContact OE2-NE 3.75Å; E5-F68 HydrophobicContact CG-CD2 4.02Å; E5-F68 PolarHBondContact OE1-N 3.34Å
6	T	72.3	Confident	79.2	Confident	20 Å²	20	75.4 Å²	75.4	12%	0.123	39%	0.39	C	S	.	.			trans	-80.3	110.7	173.1	-51.2	0	0	0	0	107.8	V9 F64 S66 R67	T6-V9 HydrophobicContact CG2-CG1 4.41Å; T6-V9 HydrophobicContact CG2-CG2 4.34Å; T6-F64 HydrophobicContact CG2-CD1 4.19Å; T6-F64 HydrophobicContact CG2-CE1 4.25Å; T6-S66 WeakPolarHBondContact CB-OG 3.37Å; T6-S66 PolarHBondContact N-O 3.11Å; T6-S66 PolarHBondContact N-OG 2.95Å; T6-S66 PolarHBondContact O-N 3.19Å; T6-S66 VanDerWaalsContact O-N 3.14Å; T6-S66 PolarHBondContact OG1-OG 3.36Å; T6-R67 PolarHBondContact O-NH1 2.94Å
7	P	79.1	Confident	80	Confident	91 Å²	91	71.8 Å²	71.8	59%	0.591	37%	0.373	S	S	*	.			trans	-57.8	161.6	173.2	28.2	-35	0	0	0	109.6	E5 V9	E5-P7 VanDerWaalsContact O-CD 3.24Å; E5-P7 WeakPolarHBondContact O-CD 3.39Å; P7-V9 PolarHBondContact O-N 2.94Å
8	T	85.1	Confident	80.6	Confident	85 Å²	85	76.7 Å²	76.7	52%	0.521	39%	0.391	S	S	.	.			trans	-60.4	116.4	-177.1	-55.2	0	0	0	0	110.7	H63 F64	T8-H63 HydrophobicContact CG2-CB 4.04Å; T8-F64 CarbonylContact C-O 3.53Å; T8-F64 WeakPolarHBondContact CA-O 3.36Å
9	V	86.5	Confident	81.1	Confident	35 Å²	35	77.7 Å²	77.7	21%	0.212	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	148.1	177.7	-66.3	0	0	0	0	110.4	T6 P7 H63 F64 I496	T6-V9 HydrophobicContact CG2-CG1 4.41Å; T6-V9 HydrophobicContact CG2-CG2 4.34Å; P7-V9 PolarHBondContact O-N 2.94Å; V9-H63 CarbonylContact O-C 3.55Å; V9-H63 VanDerWaalsContact O-CA 3.24Å; V9-H63 WeakPolarHBondContact O-CA 3.22Å; V9-F64 HydrophobicContact CG2-CB 4.12Å; V9-F64 HydrophobicContact CG2-CD1 4.35Å; V9-F64 WeakPolarHBondContact CG2-O 3.24Å; V9-F64 PolarHBondContact N-O 3.02Å; V9-F64 PolarHBondContact O-N 2.85Å; V9-I496 HydrophobicContact CG2-CG2 3.85Å
10	T	92.1	Very high	81.5	Confident	81 Å²	81	73.9 Å²	73.9	50%	0.497	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	121.3	173.9	-56.8	0	0	0	0	109.1	H63 P497	T10-H63 PolarHBondContact OG1-CE1 2.92Å; T10-H63 VanDerWaalsContact OG1-CE1 3.23Å; T10-H63 PolarHBondContact OG1-ND1 3.35Å; T10-H63 VanDerWaalsContact OG1-ND1 3.11Å; T10-P497 WeakPolarHBondContact O-CD 3.24Å; T10-P497 WeakPolarHBondContact O-CG 3.46Å
11	C	90.9	Very high	81.9	Confident	7 Å²	7	73.4 Å²	73.4	5%	0.047	37%	0.366	C	S	.	.			trans	-73.7	153.1	179.6	-58.3	0	0	0	0	111.8	S13 V62 A494 S495	C11-S13 PolarHBondContact O-N 2.77Å; C11-S13 VanDerWaalsContact O-N 3.11Å; C11-V62 HydrophobicContact CB-CB 3.99Å; C11-V62 HydrophobicContact CB-CG1 4.23Å; C11-V62 VanDerWaalsContact CB-O 3.24Å; C11-V62 WeakPolarHBondContact CB-O 3.18Å; C11-V62 PolarHBondContact N-O 3.34Å; C11-A494 HydrophobicContact CB-CB 3.97Å; C11-S495 CarbonylContact C-O 3.52Å; C11-S495 VanDerWaalsContact CA-O 3.25Å; C11-S495 WeakPolarHBondContact CA-O 3.39Å; C11-S495 VanDerWaalsContact CB-O 3.22Å; C11-S495 WeakPolarHBondContact CB-O 3.34Å
12	Q	93	Very high	84.2	Confident	119 Å²	119	64.1 Å²	64.1	56%	0.556	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	92.3	168.1	-52.1	176.8	-11.9	0	0	108.3	A494 S495	Q12-A494 WeakPolarHBondContact O-CA 3.23Å; Q12-S495 WeakPolarHBondContact CB-OG 3.3Å; Q12-S495 PolarHBondContact N-O 3.17Å; Q12-S495 PolarHBondContact O-N 3.02Å; Q12-S495 VanDerWaalsContact O-N 3.07Å; Q12-S495 PolarHBondContact OE1-OG 2.85Å
13	S	93.1	Very high	85.9	Confident	35 Å²	35	64.2 Å²	64.2	25%	0.245	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	134.3	-178.3	-57.9	0	0	0	0	112.1	C11 G60 V62	C11-S13 PolarHBondContact O-N 2.77Å; C11-S13 VanDerWaalsContact O-N 3.11Å; S13-G60 VanDerWaalsContact CB-O 3.3Å; S13-G60 WeakPolarHBondContact CB-O 3.44Å; S13-V62 PolarHBondContact OG-N 2.82Å
14	K	94.6	Very high	87.1	Confident	126 Å²	126	62.7 Å²	62.7	55%	0.548	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	118.7	173.4	-66.2	-178.6	-178.7	178.3	0	108.9	I16 G492 N493	K14-I16 PolarHBondContact O-N 3.19Å; K14-I16 VanDerWaalsContact O-N 3.08Å; K14-G492 CarbonylContact O-C 3.59Å; K14-G492 WeakPolarHBondContact O-CA 3.39Å; K14-N493 PolarHBondContact N-O 2.87Å; K14-N493 PolarHBondContact O-N 3.33Å; K14-N493 VanDerWaalsContact O-O 3.13Å
15	F	95.3	Very high	88.2	Confident	180 Å²	180	57.8 Å²	57.8	79%	0.789	29%	0.286	S	S	*	.	S	Bend	trans	55.3	26.2	174	-52.3	-69.6	0	0	0	115.9	M491	F15-M491 VanDerWaalsContact CB-O 3.26Å; F15-M491 WeakPolarHBondContact CB-O 3.43Å
16	I	94.9	Very high	88.7	Confident	10 Å²	10	54.9 Å²	54.9	5%	0.051	27%	0.273	C	S	.	.			trans	-63.8	127.4	173.3	-58.3	-62.7	0	0	0	109.2	K14 K18 I57 G60 V62 V482 A494	K14-I16 PolarHBondContact O-N 3.19Å; K14-I16 VanDerWaalsContact O-N 3.08Å; I16-K18 PolarHBondContact O-N 3.11Å; I16-I57 HydrophobicContact CG2-CG2 3.88Å; I16-G60 WeakPolarHBondContact O-CA 3.45Å; I16-V62 HydrophobicContact CD1-CG2 4.37Å; I16-V62 HydrophobicContact CG1-CG2 3.98Å; I16-V62 HydrophobicContact CG2-CG2 4.21Å; I16-V482 HydrophobicContact CD1-CG2 3.63Å; I16-A494 HydrophobicContact CD1-CB 4.25Å; I16-A494 HydrophobicContact CG1-CB 4.45Å
17	P	91.9	Very high	89.2	Confident	15 Å²	15	54 Å²	54	10%	0.097	27%	0.267	C	S	.	.			trans	-61.1	129.4	-175.8	-23.6	32.7	0	0	0	112.8	W19 L20 V482 M491	P17-W19 HydrophobicContact CB-CD2 4.48Å; P17-W19 HydrophobicContact CB-CG 4.35Å; P17-W19 HydrophobicContact CB-CZ2 4.36Å; P17-W19 VanDerWaalsContact CB-NE1 3.26Å; P17-W19 PolarHBondContact O-N 2.76Å; P17-L20 WeakPolarHBondContact O-CB 3.26Å; P17-L20 PolarHBondContact O-N 2.8Å; P17-V482 HydrophobicContact CG-CG1 4.18Å; P17-M491 HydrophobicContact CG-CE 4.39Å
18	K	91.8	Very high	89.2	Confident	159 Å²	159	50.7 Å²	50.7	69%	0.691	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-23.7	-177.6	-67	-175.1	178	-179.5	0	114.5	I16 L20	I16-K18 PolarHBondContact O-N 3.11Å; K18-L20 VanDerWaalsContact C-N 3.27Å
19	W	90.1	Very high	88.8	Confident	96 Å²	96	46.7 Å²	46.7	36%	0.364	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-20.7	177.1	66.1	-100.6	0	0	0	112.3	P17 K21 V453 F455 P456 I465	P17-W19 HydrophobicContact CB-CD2 4.48Å; P17-W19 HydrophobicContact CB-CG 4.35Å; P17-W19 HydrophobicContact CB-CZ2 4.36Å; P17-W19 VanDerWaalsContact CB-NE1 3.26Å; P17-W19 PolarHBondContact O-N 2.76Å; W19-K21 PolarHBondContact O-N 3.23Å; W19-V453 HydrophobicContact CH2-CG1 3.97Å; W19-V453 HydrophobicContact CZ3-CG1 4.01Å; W19-F455 AromaticContact CE2-CD1 3.88Å; W19-F455 AromaticContact CH2-CD1 3.94Å; W19-F455 HydrophobicContact CH2-CD1 3.94Å; W19-F455 HydrophobicContact CH2-CE1 4.36Å; W19-F455 AromaticContact CZ2-CD1 3.42Å; W19-F455 HydrophobicContact CZ2-CD1 3.42Å; W19-F455 VanDerWaalsContact CZ2-CD1 3.42Å; W19-F455 AromaticContact CZ2-CE1 3.54Å; W19-F455 HydrophobicContact CZ2-CE1 3.54Å; W19-P456 HydrophobicContact CD2-CG 4.48Å; W19-P456 HydrophobicContact CE3-CG 3.95Å; W19-I465 HydrophobicContact CH2-CD1 3.68Å; W19-I465 HydrophobicContact CH2-CG1 3.98Å; W19-I465 HydrophobicContact CZ2-CD1 3.74Å; W19-I465 HydrophobicContact CZ2-CG1 4.16Å; W19-I465 HydrophobicContact CZ2-CG2 4.15Å
20	L	89.1	Confident	88.3	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.005	21%	0.212	C	C	.	.			trans	-74.9	113.6	179.2	-176.2	62.9	0	0	0	109	P17 K18 I57 V453 I465 L467 L559	P17-L20 WeakPolarHBondContact O-CB 3.26Å; P17-L20 PolarHBondContact O-N 2.8Å; K18-L20 VanDerWaalsContact C-N 3.27Å; L20-I57 HydrophobicContact CB-CG2 4.37Å; L20-I57 HydrophobicContact CD2-CD1 3.71Å; L20-I57 HydrophobicContact CD2-CG2 3.99Å; L20-I57 HydrophobicContact CG-CB 4.48Å; L20-I57 HydrophobicContact CG-CD1 4.21Å; L20-I57 HydrophobicContact CG-CG2 3.94Å; L20-V453 HydrophobicContact CD1-CG1 4.06Å; L20-I465 HydrophobicContact CD1-CD1 4.17Å; L20-I465 HydrophobicContact CD2-CD1 3.83Å; L20-L467 HydrophobicContact CD2-CD2 3.95Å; L20-L559 HydrophobicContact CD1-CD1 4.46Å; L20-L559 HydrophobicContact CD1-CD2 3.7Å
21	K	90.5	Very high	87.7	Confident	64 Å²	64	42 Å²	42	28%	0.278	19%	0.193	S	C	.	.			trans	-138.9	120.5	-179.5	-173.1	-171.7	174.9	-164.7	0	110.6	W19 I57 E562 N563	W19-K21 PolarHBondContact O-N 3.23Å; K21-I57 CarbonylContact C-O 3.57Å; K21-I57 VanDerWaalsContact CA-O 3.3Å; K21-I57 WeakPolarHBondContact CA-O 3.31Å; K21-E562 HydrophobicContact CD-CB 4.38Å; K21-E562 WeakPolarHBondContact CE-OE2 3.48Å; K21-E562 HydrophobicContact CG-CB 4.34Å; K21-E562 IonicContact NZ-OE2 3.69Å; K21-N563 PolarHBondContact NZ-OD1 3.43Å
22	G	88.7	Confident	87.1	Confident	0 Å²	0	42 Å²	42	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.5	-167.5	179.6	0	0	0	0	0	113.8	I57 V560	G22-I57 PolarHBondContact N-O 3.05Å; G22-I57 PolarHBondContact O-N 3.23Å; G22-V560 CarbonylContact C-O 3.55Å; G22-V560 VanDerWaalsContact CA-O 3.28Å; G22-V560 WeakPolarHBondContact CA-O 3.28Å
23	Y	88.2	Confident	86.4	Confident	27 Å²	27	36.3 Å²	36.3	11%	0.106	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	116	177.9	-61.8	-97.3	0	0	0	110.1	I54 Y55 H56 F140 R141 L559 V560 E562	Y23-I54 HydrophobicContact CD1-CG2 3.87Å; Y23-Y55 CarbonylContact C-O 3.5Å; Y23-Y55 VanDerWaalsContact CA-O 3.29Å; Y23-Y55 WeakPolarHBondContact CA-O 3.34Å; Y23-H56 HydrophobicContact CD1-CB 3.92Å; Y23-H56 HydrophobicContact CE1-CB 3.77Å; Y23-H56 AromaticContact CE1-CD2 3.77Å; Y23-H56 AromaticContact CE1-CG 3.66Å; Y23-H56 AromaticContact CZ-CD2 3.71Å; Y23-H56 AromaticContact CZ-CG 3.99Å; Y23-H56 AromaticContact CZ-NE2 3.98Å; Y23-F140 HydrophobicContact CD1-CD2 4.02Å; Y23-F140 HydrophobicContact CD1-CE2 4.01Å; Y23-F140 HydrophobicContact CD2-CD2 4.43Å; Y23-F140 AromaticContact CD2-CE2 3.61Å; Y23-F140 HydrophobicContact CD2-CE2 3.61Å; Y23-F140 HydrophobicContact CE1-CE2 4.5Å; Y23-F140 HydrophobicContact CE2-CE2 4.14Å; Y23-F140 AromaticContact CG-CD2 3.98Å; Y23-F140 HydrophobicContact CG-CD2 3.98Å; Y23-F140 AromaticContact CG-CE2 3.55Å; Y23-F140 HydrophobicContact CG-CE2 3.55Å; Y23-R141 HydrophobicContact CE2-CG 4.31Å; Y23-L559 CarbonylContact O-C 3.56Å; Y23-L559 VanDerWaalsContact O-CA 3.26Å; Y23-L559 WeakPolarHBondContact O-CA 3.05Å; Y23-V560 PolarHBondContact N-O 2.83Å; Y23-V560 PolarHBondContact O-N 2.93Å; Y23-E562 HydrophobicContact CD2-CG 4.07Å; Y23-E562 HydrophobicContact CE2-CG 3.53Å; Y23-E562 WeakPolarHBondContact CE2-OE1 3.29Å; Y23-E562 VanDerWaalsContact CZ-OE1 3.27Å; Y23-E562 PolarHBondContact OH-OE1 3.48Å
24	F	87.2	Confident	85.6	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	111.8	166.6	172.2	-119.9	0	0	0	107.8	R26 Y55 I57 A451 L467 L480 S557 L559	F24-R26 HydrophobicContact CE1-CG 4.08Å; F24-R26 VanDerWaalsContact CZ-CD 3.46Å; F24-R26 HydrophobicContact CZ-CG 4.28Å; F24-Y55 AromaticContact CD1-CD2 3.54Å; F24-Y55 HydrophobicContact CD1-CD2 3.54Å; F24-Y55 HydrophobicContact CD1-CE2 4.04Å; F24-Y55 AromaticContact CD1-CG 3.95Å; F24-Y55 HydrophobicContact CD1-CG 3.95Å; F24-Y55 HydrophobicContact CE1-CD2 4.19Å; F24-Y55 HydrophobicContact CE1-CE2 4.22Å; F24-Y55 HydrophobicContact CG-CD2 4.43Å; F24-Y55 PolarHBondContact N-O 2.86Å; F24-Y55 WeakPolarHBondContact O-CB 3.28Å; F24-Y55 WeakPolarHBondContact O-CD2 3.28Å; F24-Y55 PolarHBondContact O-N 2.79Å; F24-I57 HydrophobicContact CB-CD1 4.38Å; F24-A451 HydrophobicContact CD2-CB 4.28Å; F24-A451 HydrophobicContact CE2-CB 3.68Å; F24-L467 HydrophobicContact CB-CD1 4.02Å; F24-L467 HydrophobicContact CD2-CB 4.26Å; F24-L467 HydrophobicContact CD2-CD1 3.88Å; F24-L467 HydrophobicContact CE1-CB 4.28Å; F24-L467 HydrophobicContact CE2-CB 3.93Å; F24-L467 HydrophobicContact CE2-CD1 4.39Å; F24-L467 HydrophobicContact CG-CD1 3.93Å; F24-L467 HydrophobicContact CZ-CB 3.93Å; F24-L480 HydrophobicContact CD1-CD1 3.68Å; F24-L480 HydrophobicContact CE1-CD1 3.51Å; F24-L480 HydrophobicContact CZ-CD1 4.46Å; F24-S557 VanDerWaalsContact CE2-CB 3.41Å; F24-L559 HydrophobicContact CB-CD1 4.03Å
25	I	84.9	Confident	84.7	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	144.5	-174.8	-54.9	170.5	0	0	0	109.1	L52 G53 I54 F119 I126 F140 H558 V560	I25-L52 HydrophobicContact CG2-CD2 4.11Å; I25-G53 CarbonylContact C-O 3.53Å; I25-G53 WeakPolarHBondContact CA-O 3.39Å; I25-I54 HydrophobicContact CG1-CG2 4.47Å; I25-I54 HydrophobicContact CG2-CG1 4.42Å; I25-F119 HydrophobicContact CB-CE1 4.39Å; I25-F119 HydrophobicContact CB-CE2 4.03Å; I25-F119 HydrophobicContact CB-CZ 3.61Å; I25-F119 HydrophobicContact CG2-CE1 3.94Å; I25-F119 HydrophobicContact CG2-CE2 4.12Å; I25-F119 HydrophobicContact CG2-CZ 3.61Å; I25-F119 WeakPolarHBondContact O-CZ 3.3Å; I25-I126 HydrophobicContact CD1-CG2 4.14Å; I25-I126 HydrophobicContact CG2-CD1 4.36Å; I25-F140 HydrophobicContact CD1-CB 3.95Å; I25-F140 HydrophobicContact CD1-CD1 3.75Å; I25-F140 HydrophobicContact CD1-CD2 3.57Å; I25-F140 HydrophobicContact CD1-CE1 4.14Å; I25-F140 HydrophobicContact CD1-CE2 3.98Å; I25-F140 HydrophobicContact CD1-CG 3.45Å; I25-F140 VanDerWaalsContact CD1-CG 3.45Å; I25-F140 HydrophobicContact CD1-CZ 4.25Å; I25-H558 PolarHBondContact N-O 3.37Å; I25-V560 HydrophobicContact CD1-CG2 4.27Å
26	R	82.8	Confident	83.6	Confident	2 Å²	2	25.8 Å²	25.8	1%	0.008	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	134.1	178.3	-56.4	-61.6	-80.5	121.6	4.7	110.4	F24 M28 L52 G53 Y55 E449 S469 S552 S557	F24-R26 HydrophobicContact CE1-CG 4.08Å; F24-R26 VanDerWaalsContact CZ-CD 3.46Å; F24-R26 HydrophobicContact CZ-CG 4.28Å; R26-M28 HydrophobicContact CB-CG 4Å; R26-L52 CarbonylContact O-C 3.53Å; R26-L52 VanDerWaalsContact O-CA 3.3Å; R26-L52 WeakPolarHBondContact O-CA 3.45Å; R26-G53 PolarHBondContact N-O 3.33Å; R26-G53 PolarHBondContact O-N 3.33Å; R26-Y55 HydrophobicContact CG-CE2 4.06Å; R26-E449 IonicContact CZ-OE2 2.86Å; R26-E449 IonicContact NH1-OE2 2.54Å; R26-E449 PolarHBondContact NH1-OE2 3.34Å; R26-E449 VanDerWaalsContact NH2-CA 3.26Å; R26-E449 PolarHBondContact NH2-O 2.75Å; R26-E449 IonicContact NH2-OE2 3.15Å; R26-S469 PolarHBondContact NE-OG 2.82Å; R26-S469 VanDerWaalsContact NE-OG 3.12Å; R26-S552 VanDerWaalsContact CZ-OG 3.27Å; R26-S552 PolarHBondContact NH1-OG 2.82Å; R26-S552 PolarHBondContact NH2-OG 3.41Å; R26-S552 VanDerWaalsContact NH2-OG 3.08Å; R26-S557 VanDerWaalsContact NH1-CB 3.35Å; R26-S557 PolarHBondContact NH1-OG 3.47Å
27	Q	82.9	Confident	82.6	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	122.6	162.3	-170.2	58.6	52.1	0	0	107.7	M51 H69 P115 N116 F119 S552 L553	Q27-M51 PolarHBondContact NE2-O 2.98Å; Q27-M51 VanDerWaalsContact NE2-O 3.16Å; Q27-H69 PolarHBondContact NE2-NE2 3.43Å; Q27-H69 PolarHBondContact OE1-NE2 2.76Å; Q27-P115 VanDerWaalsContact CD-O 3.29Å; Q27-P115 PolarHBondContact NE2-O 3.07Å; Q27-P115 PolarHBondContact OE1-O 3.21Å; Q27-N116 WeakPolarHBondContact CG-O 3.24Å; Q27-F119 HydrophobicContact CB-CD1 4.05Å; Q27-F119 HydrophobicContact CB-CE1 4.26Å; Q27-S552 WeakPolarHBondContact O-CA 3.34Å; Q27-S552 WeakPolarHBondContact O-CB 3.4Å; Q27-S552 PolarHBondContact O-OG 2.92Å; Q27-L553 PolarHBondContact O-N 2.82Å
28	M	79	Confident	81.6	Confident	22 Å²	22	35.5 Å²	35.5	11%	0.108	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	153.5	-173	-60	178.6	73.1	0	0	110.8	R26 G30 M51 G53 R550	R26-M28 HydrophobicContact CB-CG 4Å; M28-G30 PolarHBondContact O-N 2.81Å; M28-M51 WeakPolarHBondContact CA-O 3.46Å; M28-M51 HydrophobicContact CB-CB 4.48Å; M28-M51 HydrophobicContact CB-CE 4.04Å; M28-M51 HydrophobicContact CE-CE 4.07Å; M28-M51 PolarHBondContact N-O 3.24Å; M28-M51 PolarHBondContact O-N 3.44Å; M28-M51 HydrophobicContact SD-CE 3.86Å; M28-G53 VanDerWaalsContact SD-CA 3.57Å; M28-R550 HydrophobicContact CE-CB 4.19Å; M28-R550 WeakPolarHBondContact CE-O 3.24Å
29	C	78.5	Confident	80.8	Confident	2 Å²	2	32.8 Å²	32.8	1%	0.014	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	106.9	160.3	-172.5	0	0	0	0	109.6	F45 C48 L549 G551 L553	C29-F45 HydrophobicContact CB-CD2 4.4Å; C29-F45 HydrophobicContact CB-CE2 3.47Å; C29-F45 VanDerWaalsContact CB-CE2 3.47Å; C29-F45 HydrophobicContact CB-CZ 3.75Å; C29-F45 VanDerWaalsContact SG-CE2 3.56Å; C29-C48 WeakPolarHBondContact CA-SG 3.44Å; C29-C48 HydrophobicContact CB-CB 4.33Å; C29-C48 WeakPolarHBondContact CB-SG 3.28Å; C29-C48 WeakPolarHBondContact SG-CB 3.45Å; C29-C48 CovalentContact SG-SG 2Å; C29-C48 PolarHBondContact SG-SG 2.93Å; C29-L549 VanDerWaalsContact CB-O 3.31Å; C29-L549 WeakPolarHBondContact CB-O 3.23Å; C29-G551 PolarHBondContact N-O 2.79Å; C29-L553 HydrophobicContact CB-CD1 4.06Å; C29-L553 HydrophobicContact CB-CG 4.13Å
30	G	75.4	Confident	80.2	Confident	5 Å²	5	29.7 Å²	29.7	5%	0.052	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-40.9	-177.9	0	0	0	0	0	113.2	M28 V49	M28-G30 PolarHBondContact O-N 2.81Å; G30-V49 WeakPolarHBondContact CA-O 3.29Å; G30-V49 PolarHBondContact N-O 3.26Å
31	S	78.6	Confident	80	Confident	13 Å²	13	30.4 Å²	30.4	9%	0.091	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	138	179.7	-177.4	0	0	0	0	111.9	G33 C48 V49	S31-G33 VanDerWaalsContact C-N 3.33Å; S31-G33 PolarHBondContact OG-N 3.21Å; S31-G33 VanDerWaalsContact OG-N 3.09Å; S31-C48 CarbonylContact O-C 3.55Å; S31-C48 WeakPolarHBondContact O-CA 3.17Å; S31-C48 WeakPolarHBondContact O-CB 3.23Å; S31-V49 PolarHBondContact O-N 3.3Å
32	V	79.6	Confident	79.8	Confident	5 Å²	5	27.4 Å²	27.4	3%	0.03	15%	0.148	C	C	.	.			trans	-90.6	-0.1	169.9	-63.5	0	0	0	0	112.5	P40 A41 V42 C48 L351 L546 L549	V32-P40 HydrophobicContact CB-CB 4.24Å; V32-P40 HydrophobicContact CG2-CB 3.93Å; V32-P40 HydrophobicContact CG2-CG 4.28Å; V32-A41 PolarHBondContact O-N 2.99Å; V32-A41 VanDerWaalsContact O-N 3.1Å; V32-V42 HydrophobicContact CB-CG2 3.73Å; V32-V42 HydrophobicContact CG1-CG2 4.04Å; V32-V42 PolarHBondContact O-N 3.38Å; V32-V42 VanDerWaalsContact O-N 3.14Å; V32-C48 HydrophobicContact CB-CB 4.45Å; V32-C48 HydrophobicContact CG1-CB 3.65Å; V32-L351 HydrophobicContact CB-CD1 3.92Å; V32-L351 HydrophobicContact CG1-CD1 3.67Å; V32-L351 HydrophobicContact CG1-CD2 4.46Å; V32-L351 HydrophobicContact CG2-CD1 4.4Å; V32-L546 HydrophobicContact CG2-CD2 3.27Å; V32-L549 HydrophobicContact CG1-CD1 3.81Å
33	G	78.6	Confident	79.8	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.01	17%	0.168	C	C	.	.			trans	65.2	169	-170	0	0	0	0	0	112.8	S31 P40 A41	S31-G33 VanDerWaalsContact C-N 3.33Å; S31-G33 PolarHBondContact OG-N 3.21Å; S31-G33 VanDerWaalsContact OG-N 3.09Å; G33-P40 WeakPolarHBondContact O-CA 3.5Å; G33-A41 PolarHBondContact O-N 2.88Å; G33-A41 VanDerWaalsContact O-N 3.16Å
34	R	75.4	Confident	79.9	Confident	43 Å²	43	29 Å²	29	16%	0.162	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-132.9	139.9	174.8	-71.9	-174.4	164.7	-157.3	-12.4	110.7	D2 N39 Y81	D2-R34 WeakPolarHBondContact OD2-CD 3.22Å; D2-R34 IonicContact OD2-NE 3.73Å; R34-N39 CarbonylContact C-O 3.51Å; R34-N39 WeakPolarHBondContact CA-O 3.25Å; R34-Y81 HydrophobicContact CB-CE2 4.15Å; R34-Y81 VanDerWaalsContact O-CD2 3.23Å; R34-Y81 WeakPolarHBondContact O-CD2 3.41Å; R34-Y81 WeakPolarHBondContact O-CE2 3.4Å
35	T	75	Confident	79.7	Confident	19 Å²	19	29 Å²	29	12%	0.117	16%	0.163	C	C	.	.			trans	-77.9	173.3	167.6	66	0	0	0	0	110.4	Y37 G38 N39	T35-Y37 PolarHBondContact O-N 3.16Å; T35-Y37 VanDerWaalsContact O-N 3.1Å; T35-Y37 PolarHBondContact OG1-N 3.45Å; T35-G38 PolarHBondContact O-N 3.29Å; T35-N39 PolarHBondContact N-O 2.7Å; T35-N39 PolarHBondContact OG1-N 3.47Å; T35-N39 PolarHBondContact OG1-O 3.31Å
36	A	72.6	Confident	79.8	Confident	57 Å²	57	29.2 Å²	29.2	47%	0.471	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-29.7	172.1	0	0	0	0	0	113.3	P82	A36-P82 HydrophobicContact CB-CB 3.83Å; A36-P82 HydrophobicContact CB-CG 4.38Å
37	Y	74	Confident	80.2	Confident	206 Å²	206	29.3 Å²	29.3	81%	0.808	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95	9.1	-176.4	-54.6	-74	0	0	0	113.2	T35 N39	T35-Y37 PolarHBondContact O-N 3.16Å; T35-Y37 VanDerWaalsContact O-N 3.1Å; T35-Y37 PolarHBondContact OG1-N 3.45Å; Y37-N39 PolarHBondContact O-N 3.44Å
38	G	71.4	Confident	80.3	Confident	24 Å²	24	29.3 Å²	29.3	25%	0.247	16%	0.164	C	C	.	.	S	Bend	trans	80.5	-8.6	179.5	0	0	0	0	0	115.3	T35	T35-G38 PolarHBondContact O-N 3.29Å
39	N	75.5	Confident	80.6	Confident	102 Å²	102	28.2 Å²	28.2	55%	0.545	16%	0.159	S	C	.	.	S	Bend	trans	-66.1	150.3	174.2	-64.9	-39.5	0	0	0	111.3	R34 T35 Y37 A41	R34-N39 CarbonylContact C-O 3.51Å; R34-N39 WeakPolarHBondContact CA-O 3.25Å; T35-N39 PolarHBondContact N-O 2.7Å; T35-N39 PolarHBondContact OG1-N 3.47Å; T35-N39 PolarHBondContact OG1-O 3.31Å; Y37-N39 PolarHBondContact O-N 3.44Å; N39-A41 PolarHBondContact O-N 3.19Å
40	P	77.5	Confident	80.9	Confident	31 Å²	31	28.1 Å²	28.1	20%	0.201	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-50.3	138.7	171	-27.3	34.8	0	0	0	112.5	V32 G33 V42 L351 Y355	V32-P40 HydrophobicContact CB-CB 4.24Å; V32-P40 HydrophobicContact CG2-CB 3.93Å; V32-P40 HydrophobicContact CG2-CG 4.28Å; G33-P40 WeakPolarHBondContact O-CA 3.5Å; P40-V42 WeakPolarHBondContact CB-O 3.11Å; P40-L351 HydrophobicContact CB-CD1 3.6Å; P40-L351 HydrophobicContact CG-CD1 3.92Å; P40-Y355 HydrophobicContact CG-CD2 4.39Å; P40-Y355 HydrophobicContact CG-CE2 3.46Å; P40-Y355 VanDerWaalsContact CG-CE2 3.46Å
41	A	84	Confident	81.2	Confident	15 Å²	15	28 Å²	28	12%	0.124	16%	0.157	C	C	.	.	S	Bend	trans	-73.8	-38.4	174.2	0	0	0	0	0	111.1	V32 G33 N39 L77 I86	V32-A41 PolarHBondContact O-N 2.99Å; V32-A41 VanDerWaalsContact O-N 3.1Å; G33-A41 PolarHBondContact O-N 2.88Å; G33-A41 VanDerWaalsContact O-N 3.16Å; N39-A41 PolarHBondContact O-N 3.19Å; A41-L77 HydrophobicContact CB-CD2 3.74Å; A41-I86 HydrophobicContact CB-CD1 4.28Å
42	V	86.9	Confident	81.4	Confident	2 Å²	2	27.4 Å²	27.4	1%	0.012	15%	0.153	C	C	.	.	S	Bend	trans	-89.9	150.8	171.2	-57.3	0	0	0	0	111.6	V32 P40 D47 C48 I86 W88 T93 L351	V32-V42 HydrophobicContact CB-CG2 3.73Å; V32-V42 HydrophobicContact CG1-CG2 4.04Å; V32-V42 PolarHBondContact O-N 3.38Å; V32-V42 VanDerWaalsContact O-N 3.14Å; P40-V42 WeakPolarHBondContact CB-O 3.11Å; V42-D47 HydrophobicContact CB-CB 3.79Å; V42-D47 HydrophobicContact CG1-CB 3.89Å; V42-D47 HydrophobicContact CG2-CB 4.18Å; V42-C48 HydrophobicContact CG2-CB 4.41Å; V42-I86 HydrophobicContact CG1-CD1 4.03Å; V42-W88 HydrophobicContact CG1-CH2 4.09Å; V42-W88 HydrophobicContact CG1-CZ2 3.63Å; V42-T93 HydrophobicContact CB-CG2 4.14Å; V42-T93 WeakPolarHBondContact CB-OG1 3.34Å; V42-T93 HydrophobicContact CG1-CG2 4.38Å; V42-L351 HydrophobicContact CG2-CD1 4.13Å; V42-L351 VanDerWaalsContact O-CD1 3.28Å; V42-L351 WeakPolarHBondContact O-CD1 3.22Å
43	S	88.8	Confident	81.6	Confident	61 Å²	61	27.2 Å²	27.2	43%	0.427	15%	0.151	S	C	.	.	S	Bend	trans	-96.9	-15.5	179.6	63.5	0	0	0	0	113.8	T93 L351	S43-T93 PolarHBondContact N-OG1 3Å; S43-T93 WeakPolarHBondContact OG-CA 3.43Å; S43-T93 PolarHBondContact OG-OG1 3.31Å; S43-L351 PolarHBondContact O-N 2.86Å
44	H	89.6	Confident	81.9	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-125.9	142.7	-175.3	-164.7	-85.8	0	0	0	111.8	F46 D47 F91 R92 T93 F346 F349 N350	H44-F46 VanDerWaalsContact C-N 3.32Å; H44-F46 AromaticContact CE1-CD2 3.42Å; H44-F46 VanDerWaalsContact CE1-CD2 3.42Å; H44-F46 WeakPolarHBondContact CE1-CD2 3.16Å; H44-F46 AromaticContact CE1-CE2 3.98Å; H44-F46 AromaticContact CE1-CG 3.58Å; H44-F46 WeakPolarHBondContact ND1-CB 3.43Å; H44-F46 AromaticContact ND1-CD2 3.98Å; H44-F46 AromaticContact ND1-CG 3.73Å; H44-F46 PolarHBondContact ND1-N 2.89Å; H44-F46 VanDerWaalsContact ND1-N 3.19Å; H44-F46 PolarHBondContact O-N 3.07Å; H44-D47 WeakPolarHBondContact CB-OD2 3.29Å; H44-D47 WeakPolarHBondContact O-CB 3.15Å; H44-D47 PolarHBondContact O-N 2.82Å; H44-F91 AromaticContact CE1-CD1 3.56Å; H44-F91 AromaticContact CE1-CE1 3.73Å; H44-F91 AromaticContact ND1-CD1 3.7Å; H44-F91 AromaticContact NE2-CE1 4Å; H44-R92 HydrophobicContact CB-CB 3.91Å; H44-T93 PolarHBondContact N-OG1 2.67Å; H44-F346 PolarHBondContact NE2-O 2.81Å; H44-F346 VanDerWaalsContact NE2-O 3.08Å; H44-F349 VanDerWaalsContact CE1-CB 3.46Å; H44-F349 WeakPolarHBondContact CE1-CB 3.2Å; H44-N350 PolarHBondContact CD2-OD1 3.14Å
45	F	83.1	Confident	82.4	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-58.8	-43.3	-177.3	-175.2	-123	0	0	0	112.5	C29 D47 C48 F349 L351 L354 F416 L549 L553	C29-F45 HydrophobicContact CB-CD2 4.4Å; C29-F45 HydrophobicContact CB-CE2 3.47Å; C29-F45 VanDerWaalsContact CB-CE2 3.47Å; C29-F45 HydrophobicContact CB-CZ 3.75Å; C29-F45 VanDerWaalsContact SG-CE2 3.56Å; F45-D47 PolarHBondContact O-N 2.93Å; F45-C48 WeakPolarHBondContact O-CB 3.26Å; F45-C48 PolarHBondContact O-N 2.73Å; F45-C48 VanDerWaalsContact O-N 3.15Å; F45-C48 PolarHBondContact O-SG 2.83Å; F45-C48 VanDerWaalsContact O-SG 3.33Å; F45-F349 HydrophobicContact CB-CB 4.18Å; F45-F349 HydrophobicContact CB-CD1 4.14Å; F45-F349 WeakPolarHBondContact CB-O 3.14Å; F45-F349 AromaticContact CD1-CD1 3.72Å; F45-F349 HydrophobicContact CD1-CD1 3.72Å; F45-F349 HydrophobicContact CD1-CE1 4.1Å; F45-F349 HydrophobicContact CG-CD1 4.31Å; F45-F349 PolarHBondContact N-O 2.95Å; F45-L351 HydrophobicContact CB-CD2 3.95Å; F45-L351 HydrophobicContact CD2-CD2 4.29Å; F45-L354 HydrophobicContact CB-CD1 3.83Å; F45-L354 HydrophobicContact CD2-CD1 4.37Å; F45-L354 HydrophobicContact CG-CD1 4.1Å; F45-F416 HydrophobicContact CE1-CE1 4.11Å; F45-F416 HydrophobicContact CE1-CZ 4.1Å; F45-F416 HydrophobicContact CZ-CE1 4.31Å; F45-L549 HydrophobicContact CD2-CB 4.42Å; F45-L549 HydrophobicContact CD2-CD1 4.3Å; F45-L549 HydrophobicContact CD2-CD2 3.7Å; F45-L549 HydrophobicContact CD2-CG 4.36Å; F45-L549 HydrophobicContact CE2-CB 3.94Å; F45-L549 HydrophobicContact CE2-CD2 3.81Å; F45-L549 HydrophobicContact CE2-CG 4.31Å; F45-L549 WeakPolarHBondContact CE2-O 3.34Å; F45-L553 HydrophobicContact CD1-CD2 3.32Å; F45-L553 HydrophobicContact CD1-CG 4.33Å; F45-L553 HydrophobicContact CE1-CD2 3.27Å; F45-L553 HydrophobicContact CE1-CG 3.82Å; F45-L553 HydrophobicContact CE2-CD2 4.45Å; F45-L553 HydrophobicContact CG-CD2 3.99Å; F45-L553 HydrophobicContact CZ-CD2 3.88Å; F45-L553 HydrophobicContact CZ-CG 4.01Å
46	F	86.9	Confident	83.2	Confident	4 Å²	4	27.1 Å²	27.1	2%	0.018	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-65.9	-0.7	177.5	-56.1	-15.3	0	0	0	114.8	H44 F91 N116 M117 Y345 F346 F349 L553	H44-F46 VanDerWaalsContact C-N 3.32Å; H44-F46 AromaticContact CE1-CD2 3.42Å; H44-F46 VanDerWaalsContact CE1-CD2 3.42Å; H44-F46 WeakPolarHBondContact CE1-CD2 3.16Å; H44-F46 AromaticContact CE1-CE2 3.98Å; H44-F46 AromaticContact CE1-CG 3.58Å; H44-F46 WeakPolarHBondContact ND1-CB 3.43Å; H44-F46 AromaticContact ND1-CD2 3.98Å; H44-F46 AromaticContact ND1-CG 3.73Å; H44-F46 PolarHBondContact ND1-N 2.89Å; H44-F46 VanDerWaalsContact ND1-N 3.19Å; H44-F46 PolarHBondContact O-N 3.07Å; F46-F91 HydrophobicContact CB-CB 4.03Å; F46-F91 HydrophobicContact CB-CD1 4.15Å; F46-F91 HydrophobicContact CB-CG 4.03Å; F46-F91 AromaticContact CD2-CD1 3.83Å; F46-F91 HydrophobicContact CD2-CD1 3.83Å; F46-F91 HydrophobicContact CD2-CD2 4.35Å; F46-F91 AromaticContact CD2-CE1 3.71Å; F46-F91 HydrophobicContact CD2-CE1 3.71Å; F46-F91 HydrophobicContact CD2-CE2 4.26Å; F46-F91 HydrophobicContact CD2-CG 4.15Å; F46-F91 AromaticContact CD2-CZ 3.95Å; F46-F91 HydrophobicContact CD2-CZ 3.95Å; F46-F91 HydrophobicContact CE2-CE1 4.3Å; F46-F91 HydrophobicContact CE2-CZ 4.37Å; F46-F91 HydrophobicContact CG-CD1 4.47Å; F46-N116 PolarHBondContact O-ND2 3.21Å; F46-M117 HydrophobicContact CB-SD 3.99Å; F46-M117 HydrophobicContact CD1-CE 4.29Å; F46-M117 HydrophobicContact CD1-SD 4.2Å; F46-M117 HydrophobicContact CD2-CE 4.14Å; F46-M117 HydrophobicContact CE1-CE 4.49Å; F46-M117 HydrophobicContact CE2-CE 4.39Å; F46-M117 HydrophobicContact CG-CE 4.11Å; F46-M117 HydrophobicContact CG-SD 4.02Å; F46-Y345 HydrophobicContact CZ-CE1 4.32Å; F46-F346 HydrophobicContact CE2-CD1 4.26Å; F46-F346 HydrophobicContact CE2-CE1 4.48Å; F46-F349 HydrophobicContact CD1-CD1 4.46Å; F46-F349 HydrophobicContact CD1-CG 4.47Å; F46-F349 HydrophobicContact CE1-CB 4.3Å; F46-F349 AromaticContact CE1-CD1 3.68Å; F46-F349 HydrophobicContact CE1-CD1 3.68Å; F46-F349 AromaticContact CE1-CD2 3.96Å; F46-F349 HydrophobicContact CE1-CD2 3.96Å; F46-F349 AromaticContact CE1-CE1 3.88Å; F46-F349 HydrophobicContact CE1-CE1 3.88Å; F46-F349 HydrophobicContact CE1-CE2 4.19Å; F46-F349 AromaticContact CE1-CG 3.71Å; F46-F349 HydrophobicContact CE1-CG 3.71Å; F46-F349 HydrophobicContact CE1-CZ 4.13Å; F46-F349 HydrophobicContact CE2-CD2 4.13Å; F46-F349 HydrophobicContact CE2-CG 4.39Å; F46-F349 HydrophobicContact CZ-CB 4.29Å; F46-F349 HydrophobicContact CZ-CD1 4.04Å; F46-F349 AromaticContact CZ-CD2 3.43Å; F46-F349 HydrophobicContact CZ-CD2 3.43Å; F46-F349 VanDerWaalsContact CZ-CD2 3.43Å; F46-F349 HydrophobicContact CZ-CE1 4.2Å; F46-F349 AromaticContact CZ-CE2 3.66Å; F46-F349 HydrophobicContact CZ-CE2 3.66Å; F46-F349 AromaticContact CZ-CG 3.65Å; F46-F349 HydrophobicContact CZ-CG 3.65Å; F46-F349 HydrophobicContact CZ-CZ 4.02Å; F46-L553 HydrophobicContact CD1-CD2 3.51Å; F46-L553 HydrophobicContact CE1-CD2 4.2Å; F46-L553 HydrophobicContact CG-CD2 4.48Å
47	D	90.7	Very high	84	Confident	3 Å²	3	24.4 Å²	24.4	2%	0.016	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-101.1	-8.7	176.1	-66.6	-33.7	0	0	0	114.1	V42 H44 F45 T90 F91 R92 T93	V42-D47 HydrophobicContact CB-CB 3.79Å; V42-D47 HydrophobicContact CG1-CB 3.89Å; V42-D47 HydrophobicContact CG2-CB 4.18Å; H44-D47 WeakPolarHBondContact CB-OD2 3.29Å; H44-D47 WeakPolarHBondContact O-CB 3.15Å; H44-D47 PolarHBondContact O-N 2.82Å; F45-D47 PolarHBondContact O-N 2.93Å; D47-T90 HydrophobicContact CB-CG2 4.29Å; D47-T90 WeakPolarHBondContact OD1-CA 2.99Å; D47-T90 VanDerWaalsContact OD1-CB 3.24Å; D47-T90 WeakPolarHBondContact OD1-CB 3.12Å; D47-F91 WeakPolarHBondContact OD1-CA 3.19Å; D47-F91 WeakPolarHBondContact OD1-CB 3.3Å; D47-F91 PolarHBondContact OD1-N 3.08Å; D47-R92 PolarHBondContact OD2-N 2.81Å; D47-R92 VanDerWaalsContact OD2-N 3.16Å; D47-T93 WeakPolarHBondContact OD2-CA 3.31Å; D47-T93 WeakPolarHBondContact OD2-CB 3.48Å; D47-T93 PolarHBondContact OD2-N 2.98Å; D47-T93 PolarHBondContact OD2-OG1 2.79Å
48	C	85	Confident	84.9	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-68.7	151.1	-175.7	82.1	0	0	0	0	111.7	C29 S31 V32 V42 F45 G50 N114 N116 L553	C29-C48 WeakPolarHBondContact CA-SG 3.44Å; C29-C48 HydrophobicContact CB-CB 4.33Å; C29-C48 WeakPolarHBondContact CB-SG 3.28Å; C29-C48 WeakPolarHBondContact SG-CB 3.45Å; C29-C48 CovalentContact SG-SG 2Å; C29-C48 PolarHBondContact SG-SG 2.93Å; S31-C48 CarbonylContact O-C 3.55Å; S31-C48 WeakPolarHBondContact O-CA 3.17Å; S31-C48 WeakPolarHBondContact O-CB 3.23Å; V32-C48 HydrophobicContact CB-CB 4.45Å; V32-C48 HydrophobicContact CG1-CB 3.65Å; V42-C48 HydrophobicContact CG2-CB 4.41Å; F45-C48 WeakPolarHBondContact O-CB 3.26Å; F45-C48 PolarHBondContact O-N 2.73Å; F45-C48 VanDerWaalsContact O-N 3.15Å; F45-C48 PolarHBondContact O-SG 2.83Å; F45-C48 VanDerWaalsContact O-SG 3.33Å; C48-G50 PolarHBondContact O-N 2.78Å; C48-N114 PolarHBondContact O-ND2 3.44Å; C48-N116 PolarHBondContact O-ND2 2.88Å; C48-L553 WeakPolarHBondContact SG-CD1 3.31Å
49	V	86.2	Confident	85.9	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	124.5	-175.3	-174.2	0	0	0	0	110.3	G30 S31 F68 A73 L74 L77	G30-V49 WeakPolarHBondContact CA-O 3.29Å; G30-V49 PolarHBondContact N-O 3.26Å; S31-V49 PolarHBondContact O-N 3.3Å; V49-F68 HydrophobicContact CB-CD1 4.43Å; V49-F68 HydrophobicContact CB-CE1 4.3Å; V49-F68 HydrophobicContact CG1-CD1 3.76Å; V49-F68 HydrophobicContact CG1-CE1 4.1Å; V49-A73 HydrophobicContact CG2-CB 4.08Å; V49-L74 HydrophobicContact CG1-CB 3.76Å; V49-L74 HydrophobicContact CG1-CD1 3.96Å; V49-L74 HydrophobicContact CG1-CG 4.46Å; V49-L77 HydrophobicContact CG2-CD1 3.36Å; V49-L77 HydrophobicContact CG2-CG 4.34Å
50	G	83.6	Confident	86.8	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	137.2	-178.3	0	0	0	0	0	112.4	C48 H69 N114 N116	C48-G50 PolarHBondContact O-N 2.78Å; G50-H69 PolarHBondContact O-CD2 3.32Å; G50-H69 PolarHBondContact O-N 2.84Å; G50-H69 VanDerWaalsContact O-N 3.08Å; G50-N114 PolarHBondContact N-OD1 2.81Å; G50-N116 VanDerWaalsContact CA-CB 3.45Å
51	M	82.8	Confident	87.7	Confident	3 Å²	3	20.2 Å²	20.2	2%	0.015	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	146.7	176.4	-176.2	-178.5	69.8	0	0	109.2	Q27 M28 R67 F68	Q27-M51 PolarHBondContact NE2-O 2.98Å; Q27-M51 VanDerWaalsContact NE2-O 3.16Å; M28-M51 WeakPolarHBondContact CA-O 3.46Å; M28-M51 HydrophobicContact CB-CB 4.48Å; M28-M51 HydrophobicContact CB-CE 4.04Å; M28-M51 HydrophobicContact CE-CE 4.07Å; M28-M51 PolarHBondContact N-O 3.24Å; M28-M51 PolarHBondContact O-N 3.44Å; M28-M51 HydrophobicContact SD-CE 3.86Å; M51-R67 CarbonylContact C-O 3.42Å; M51-R67 VanDerWaalsContact CA-O 3.3Å; M51-R67 WeakPolarHBondContact CA-O 3.3Å; M51-R67 WeakPolarHBondContact CG-O 3.15Å; M51-F68 HydrophobicContact CB-CD1 3.99Å; M51-F68 HydrophobicContact CB-CE1 4.18Å; M51-F68 HydrophobicContact CB-CG 4.5Å; M51-F68 HydrophobicContact CG-CD1 4.36Å; M51-F68 HydrophobicContact CG-CG 4.42Å; M51-F68 HydrophobicContact SD-CE1 4.46Å; M51-F68 HydrophobicContact SD-CE2 4.18Å; M51-F68 HydrophobicContact SD-CZ 4.15Å
52	L	83.4	Confident	88.1	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	132.4	168.4	-64.4	-179.5	0	0	0	110	I25 R26 I54 S66 R67 F119 I126 V138 M145	I25-L52 HydrophobicContact CG2-CD2 4.11Å; R26-L52 CarbonylContact O-C 3.53Å; R26-L52 VanDerWaalsContact O-CA 3.3Å; R26-L52 WeakPolarHBondContact O-CA 3.45Å; L52-I54 HydrophobicContact CB-CD1 4.44Å; L52-I54 HydrophobicContact CB-CG1 4.22Å; L52-S66 CarbonylContact O-C 3.33Å; L52-S66 WeakPolarHBondContact O-CA 3.17Å; L52-R67 PolarHBondContact N-O 3.09Å; L52-R67 PolarHBondContact O-N 3.15Å; L52-F119 HydrophobicContact CD2-CD1 4.46Å; L52-I126 HydrophobicContact CD1-CD1 3.65Å; L52-I126 HydrophobicContact CD2-CD1 4.06Å; L52-V138 HydrophobicContact CD1-CB 4.43Å; L52-V138 HydrophobicContact CD1-CG1 3.72Å; L52-M145 HydrophobicContact CB-CE 4.36Å; L52-M145 HydrophobicContact CD1-CE 3.64Å; L52-M145 HydrophobicContact CG-CE 4.38Å
53	G	82.6	Confident	88.3	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	125.4	160.9	0	0	0	0	0	109.3	I25 R26 M28	I25-G53 CarbonylContact C-O 3.53Å; I25-G53 WeakPolarHBondContact CA-O 3.39Å; R26-G53 PolarHBondContact N-O 3.33Å; R26-G53 PolarHBondContact O-N 3.33Å; M28-G53 VanDerWaalsContact SD-CA 3.57Å
54	I	84.7	Confident	88.2	Confident	8 Å²	8	19.5 Å²	19.5	4%	0.041	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	112.4	-172	-56.1	167.2	0	0	0	108.4	Y23 I25 L52 F64 S65 F140 M145	Y23-I54 HydrophobicContact CD1-CG2 3.87Å; I25-I54 HydrophobicContact CG1-CG2 4.47Å; I25-I54 HydrophobicContact CG2-CG1 4.42Å; L52-I54 HydrophobicContact CB-CD1 4.44Å; L52-I54 HydrophobicContact CB-CG1 4.22Å; I54-F64 CarbonylContact O-C 3.47Å; I54-F64 WeakPolarHBondContact O-CA 3.46Å; I54-S65 PolarHBondContact N-O 3.05Å; I54-S65 PolarHBondContact O-N 2.98Å; I54-F140 HydrophobicContact CD1-CB 4.09Å; I54-M145 HydrophobicContact CD1-CE 4.45Å
55	Y	86.8	Confident	88	Confident	7 Å²	7	20.2 Å²	20.2	3%	0.027	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	107.4	173.6	-59.4	-102.8	0	0	0	108.8	Y23 F24 R26 V62 H63 F64 L480 I496	Y23-Y55 CarbonylContact C-O 3.5Å; Y23-Y55 VanDerWaalsContact CA-O 3.29Å; Y23-Y55 WeakPolarHBondContact CA-O 3.34Å; F24-Y55 AromaticContact CD1-CD2 3.54Å; F24-Y55 HydrophobicContact CD1-CD2 3.54Å; F24-Y55 HydrophobicContact CD1-CE2 4.04Å; F24-Y55 AromaticContact CD1-CG 3.95Å; F24-Y55 HydrophobicContact CD1-CG 3.95Å; F24-Y55 HydrophobicContact CE1-CD2 4.19Å; F24-Y55 HydrophobicContact CE1-CE2 4.22Å; F24-Y55 HydrophobicContact CG-CD2 4.43Å; F24-Y55 PolarHBondContact N-O 2.86Å; F24-Y55 WeakPolarHBondContact O-CB 3.28Å; F24-Y55 WeakPolarHBondContact O-CD2 3.28Å; F24-Y55 PolarHBondContact O-N 2.79Å; R26-Y55 HydrophobicContact CG-CE2 4.06Å; Y55-V62 HydrophobicContact CD1-CG1 4.08Å; Y55-H63 CarbonylContact C-O 3.57Å; Y55-H63 VanDerWaalsContact CA-O 3.3Å; Y55-H63 WeakPolarHBondContact CA-O 3.43Å; Y55-F64 AromaticContact CD1-CD2 3.82Å; Y55-F64 HydrophobicContact CD1-CD2 3.82Å; Y55-F64 HydrophobicContact CD2-CD2 4.05Å; Y55-F64 HydrophobicContact CD2-CE2 4.25Å; Y55-F64 AromaticContact CE1-CD2 3.67Å; Y55-F64 HydrophobicContact CE1-CD2 3.67Å; Y55-F64 HydrophobicContact CE1-CE2 4.18Å; Y55-F64 AromaticContact CE2-CD2 3.9Å; Y55-F64 HydrophobicContact CE2-CD2 3.9Å; Y55-F64 AromaticContact CE2-CE2 3.76Å; Y55-F64 HydrophobicContact CE2-CE2 3.76Å; Y55-F64 HydrophobicContact CG-CD2 4.02Å; Y55-F64 AromaticContact CZ-CD2 3.71Å; Y55-F64 AromaticContact CZ-CE2 3.73Å; Y55-L480 HydrophobicContact CD1-CB 4.09Å; Y55-L480 HydrophobicContact CD1-CD2 3.92Å; Y55-L480 HydrophobicContact CD1-CG 4.46Å; Y55-L480 HydrophobicContact CE1-CB 3.83Å; Y55-L480 HydrophobicContact CE1-CD2 4.48Å; Y55-L480 HydrophobicContact CG-CD2 4.37Å; Y55-I496 HydrophobicContact CE1-CD1 3.72Å; Y55-I496 HydrophobicContact CE1-CG1 4.3Å
56	H	90.7	Very high	87.9	Confident	46 Å²	46	20.2 Å²	20.2	21%	0.213	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	113.6	171.9	179.1	-154	0	0	0	109.2	Y23 V62 H63 E562	Y23-H56 HydrophobicContact CD1-CB 3.92Å; Y23-H56 HydrophobicContact CE1-CB 3.77Å; Y23-H56 AromaticContact CE1-CD2 3.77Å; Y23-H56 AromaticContact CE1-CG 3.66Å; Y23-H56 AromaticContact CZ-CD2 3.71Å; Y23-H56 AromaticContact CZ-CG 3.99Å; Y23-H56 AromaticContact CZ-NE2 3.98Å; H56-V62 CarbonylContact O-C 3.53Å; H56-V62 WeakPolarHBondContact O-CA 3.45Å; H56-H63 HydrophobicContact CB-CB 4.38Å; H56-H63 PolarHBondContact N-O 3.43Å; H56-H63 PolarHBondContact O-N 2.99Å; H56-E562 IonicContact NE2-OE1 3.63Å; H56-E562 PolarHBondContact NE2-OE1 3.03Å; H56-E562 IonicContact NE2-OE2 3.41Å
57	I	90.2	Very high	87.6	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	124.5	-176.2	-48.2	176.5	0	0	0	108.5	I16 L20 K21 G22 F24 L61 V62 L467 L480	I16-I57 HydrophobicContact CG2-CG2 3.88Å; L20-I57 HydrophobicContact CB-CG2 4.37Å; L20-I57 HydrophobicContact CD2-CD1 3.71Å; L20-I57 HydrophobicContact CD2-CG2 3.99Å; L20-I57 HydrophobicContact CG-CB 4.48Å; L20-I57 HydrophobicContact CG-CD1 4.21Å; L20-I57 HydrophobicContact CG-CG2 3.94Å; K21-I57 CarbonylContact C-O 3.57Å; K21-I57 VanDerWaalsContact CA-O 3.3Å; K21-I57 WeakPolarHBondContact CA-O 3.31Å; G22-I57 PolarHBondContact N-O 3.05Å; G22-I57 PolarHBondContact O-N 3.23Å; F24-I57 HydrophobicContact CB-CD1 4.38Å; I57-L61 WeakPolarHBondContact CA-O 3.36Å; I57-V62 HydrophobicContact CG1-CG1 4.41Å; I57-V62 HydrophobicContact CG1-CG2 4.2Å; I57-V62 HydrophobicContact CG2-CG2 4.22Å; I57-L467 HydrophobicContact CD1-CD1 4.41Å; I57-L480 HydrophobicContact CD1-CD2 3.89Å
58	N	92.3	Very high	87.3	Confident	68 Å²	68	20.5 Å²	20.5	36%	0.364	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	126	176.7	-176	25	0	0	0	110.9	G60 L61	N58-G60 VanDerWaalsContact C-N 3.26Å; N58-G60 PolarHBondContact O-N 3.37Å; N58-L61 PolarHBondContact N-O 3.47Å; N58-L61 WeakPolarHBondContact O-CB 3.19Å; N58-L61 PolarHBondContact O-N 2.95Å
59	N	93.3	Very high	87.4	Confident	100 Å²	100	20.6 Å²	20.6	54%	0.535	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	40.8	175.1	-167.9	31.8	0	0	0	114.1	L61	N59-L61 PolarHBondContact O-N 3.02Å
60	G	93.8	Very high	87.4	Confident	16 Å²	16	22.3 Å²	22.3	17%	0.165	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	-0.7	-179.6	0	0	0	0	0	115.4	S13 I16 N58	S13-G60 VanDerWaalsContact CB-O 3.3Å; S13-G60 WeakPolarHBondContact CB-O 3.44Å; I16-G60 WeakPolarHBondContact O-CA 3.45Å; N58-G60 VanDerWaalsContact C-N 3.26Å; N58-G60 PolarHBondContact O-N 3.37Å
61	L	95.6	Very high	87.7	Confident	92 Å²	92	22.3 Å²	22.3	48%	0.482	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	143.3	170.3	-67.2	167	0	0	0	109.9	I57 N58 N59	I57-L61 WeakPolarHBondContact CA-O 3.36Å; N58-L61 PolarHBondContact N-O 3.47Å; N58-L61 WeakPolarHBondContact O-CB 3.19Å; N58-L61 PolarHBondContact O-N 2.95Å; N59-L61 PolarHBondContact O-N 3.02Å
62	V	92.4	Very high	88	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	127.8	175.1	-177.6	0	0	0	0	108.4	C11 S13 I16 Y55 H56 I57 L480 A494	C11-V62 HydrophobicContact CB-CB 3.99Å; C11-V62 HydrophobicContact CB-CG1 4.23Å; C11-V62 VanDerWaalsContact CB-O 3.24Å; C11-V62 WeakPolarHBondContact CB-O 3.18Å; C11-V62 PolarHBondContact N-O 3.34Å; S13-V62 PolarHBondContact OG-N 2.82Å; I16-V62 HydrophobicContact CD1-CG2 4.37Å; I16-V62 HydrophobicContact CG1-CG2 3.98Å; I16-V62 HydrophobicContact CG2-CG2 4.21Å; Y55-V62 HydrophobicContact CD1-CG1 4.08Å; H56-V62 CarbonylContact O-C 3.53Å; H56-V62 WeakPolarHBondContact O-CA 3.45Å; I57-V62 HydrophobicContact CG1-CG1 4.41Å; I57-V62 HydrophobicContact CG1-CG2 4.2Å; I57-V62 HydrophobicContact CG2-CG2 4.22Å; V62-L480 HydrophobicContact CG1-CD2 4.27Å; V62-A494 HydrophobicContact CB-CB 3.89Å; V62-A494 HydrophobicContact CG1-CB 4.24Å; V62-A494 HydrophobicContact CG2-CB 3.79Å
63	H	91.2	Very high	88.4	Confident	54 Å²	54	22.2 Å²	22.2	25%	0.25	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	140.2	166.6	-59.8	-80.5	0	0	0	109	T8 V9 T10 Y55 H56	T8-H63 HydrophobicContact CG2-CB 4.04Å; V9-H63 CarbonylContact O-C 3.55Å; V9-H63 VanDerWaalsContact O-CA 3.24Å; V9-H63 WeakPolarHBondContact O-CA 3.22Å; T10-H63 PolarHBondContact OG1-CE1 2.92Å; T10-H63 VanDerWaalsContact OG1-CE1 3.23Å; T10-H63 PolarHBondContact OG1-ND1 3.35Å; T10-H63 VanDerWaalsContact OG1-ND1 3.11Å; Y55-H63 CarbonylContact C-O 3.57Å; Y55-H63 VanDerWaalsContact CA-O 3.3Å; Y55-H63 WeakPolarHBondContact CA-O 3.43Å; H56-H63 HydrophobicContact CB-CB 4.38Å; H56-H63 PolarHBondContact N-O 3.43Å; H56-H63 PolarHBondContact O-N 2.99Å
64	F	87.4	Confident	88.6	Confident	9 Å²	9	22.3 Å²	22.3	4%	0.039	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	144.2	176.7	177.8	-98.6	0	0	0	110.7	T6 T8 V9 I54 Y55 I496	T6-F64 HydrophobicContact CG2-CD1 4.19Å; T6-F64 HydrophobicContact CG2-CE1 4.25Å; T8-F64 CarbonylContact C-O 3.53Å; T8-F64 WeakPolarHBondContact CA-O 3.36Å; V9-F64 HydrophobicContact CG2-CB 4.12Å; V9-F64 HydrophobicContact CG2-CD1 4.35Å; V9-F64 WeakPolarHBondContact CG2-O 3.24Å; V9-F64 PolarHBondContact N-O 3.02Å; V9-F64 PolarHBondContact O-N 2.85Å; I54-F64 CarbonylContact O-C 3.47Å; I54-F64 WeakPolarHBondContact O-CA 3.46Å; Y55-F64 AromaticContact CD1-CD2 3.82Å; Y55-F64 HydrophobicContact CD1-CD2 3.82Å; Y55-F64 HydrophobicContact CD2-CD2 4.05Å; Y55-F64 HydrophobicContact CD2-CE2 4.25Å; Y55-F64 AromaticContact CE1-CD2 3.67Å; Y55-F64 HydrophobicContact CE1-CD2 3.67Å; Y55-F64 HydrophobicContact CE1-CE2 4.18Å; Y55-F64 AromaticContact CE2-CD2 3.9Å; Y55-F64 HydrophobicContact CE2-CD2 3.9Å; Y55-F64 AromaticContact CE2-CE2 3.76Å; Y55-F64 HydrophobicContact CE2-CE2 3.76Å; Y55-F64 HydrophobicContact CG-CD2 4.02Å; Y55-F64 AromaticContact CZ-CD2 3.71Å; Y55-F64 AromaticContact CZ-CE2 3.73Å; F64-I496 HydrophobicContact CB-CD1 4.24Å; F64-I496 HydrophobicContact CB-CG1 4.21Å; F64-I496 HydrophobicContact CB-CG2 3.96Å; F64-I496 HydrophobicContact CD1-CD1 4Å; F64-I496 HydrophobicContact CD1-CG2 3.62Å; F64-I496 HydrophobicContact CD2-CD1 3.75Å; F64-I496 HydrophobicContact CE1-CD1 4.27Å; F64-I496 HydrophobicContact CE1-CG2 4.39Å; F64-I496 HydrophobicContact CE2-CD1 4.04Å; F64-I496 HydrophobicContact CG-CD1 3.72Å; F64-I496 HydrophobicContact CG-CG1 4.22Å; F64-I496 HydrophobicContact CG-CG2 3.96Å; F64-I496 HydrophobicContact CZ-CD1 4.28Å
65	S	84.5	Confident	88.8	Confident	14 Å²	14	22.6 Å²	22.6	10%	0.098	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	154.8	168.1	61.8	0	0	0	0	109.6	I54	I54-S65 PolarHBondContact N-O 3.05Å; I54-S65 PolarHBondContact O-N 2.98Å
66	S	81.2	Confident	88.8	Confident	1 Å²	1	22.3 Å²	22.3	1%	0.007	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	143.2	174.6	73.3	0	0	0	0	111.5	E5 T6 L52	E5-S66 VanDerWaalsContact CB-O 3.29Å; E5-S66 WeakPolarHBondContact CB-O 3.02Å; T6-S66 WeakPolarHBondContact CB-OG 3.37Å; T6-S66 PolarHBondContact N-O 3.11Å; T6-S66 PolarHBondContact N-OG 2.95Å; T6-S66 PolarHBondContact O-N 3.19Å; T6-S66 VanDerWaalsContact O-N 3.14Å; T6-S66 PolarHBondContact OG1-OG 3.36Å; L52-S66 CarbonylContact O-C 3.33Å; L52-S66 WeakPolarHBondContact O-CA 3.17Å
67	R	81.8	Confident	88.3	Confident	9 Å²	9	20.7 Å²	20.7	3%	0.034	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	134.9	-171.6	-62.8	-68.2	-180	-84.8	-2.1	111.3	E5 T6 M51 L52 A143 M145	E5-R67 WeakPolarHBondContact OE2-CD 3.05Å; E5-R67 IonicContact OE2-NE 3.75Å; T6-R67 PolarHBondContact O-NH1 2.94Å; M51-R67 CarbonylContact C-O 3.42Å; M51-R67 VanDerWaalsContact CA-O 3.3Å; M51-R67 WeakPolarHBondContact CA-O 3.3Å; M51-R67 WeakPolarHBondContact CG-O 3.15Å; L52-R67 PolarHBondContact N-O 3.09Å; L52-R67 PolarHBondContact O-N 3.15Å; R67-A143 PolarHBondContact NE-O 3.12Å; R67-A143 VanDerWaalsContact NE-O 3.17Å; R67-A143 PolarHBondContact NH2-O 3.08Å; R67-M145 HydrophobicContact CB-CB 4.38Å; R67-M145 HydrophobicContact CB-CE 3.28Å; R67-M145 HydrophobicContact CB-SD 4.47Å; R67-M145 HydrophobicContact CG-CB 4.42Å; R67-M145 HydrophobicContact CG-CE 3.82Å
68	F	84.2	Confident	87.9	Confident	3 Å²	3	25.2 Å²	25.2	1%	0.013	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	146.7	-179.9	-79.6	-81.7	0	0	0	112.1	E5 V49 M51 Q70 L74	E5-F68 HydrophobicContact CG-CD2 4.02Å; E5-F68 PolarHBondContact OE1-N 3.34Å; V49-F68 HydrophobicContact CB-CD1 4.43Å; V49-F68 HydrophobicContact CB-CE1 4.3Å; V49-F68 HydrophobicContact CG1-CD1 3.76Å; V49-F68 HydrophobicContact CG1-CE1 4.1Å; M51-F68 HydrophobicContact CB-CD1 3.99Å; M51-F68 HydrophobicContact CB-CE1 4.18Å; M51-F68 HydrophobicContact CB-CG 4.5Å; M51-F68 HydrophobicContact CG-CD1 4.36Å; M51-F68 HydrophobicContact CG-CG 4.42Å; M51-F68 HydrophobicContact SD-CE1 4.46Å; M51-F68 HydrophobicContact SD-CE2 4.18Å; M51-F68 HydrophobicContact SD-CZ 4.15Å; F68-Q70 PolarHBondContact O-NE2 3.47Å; F68-L74 HydrophobicContact CB-CD1 3.97Å; F68-L74 HydrophobicContact CB-CD2 3.64Å; F68-L74 HydrophobicContact CB-CG 4.4Å; F68-L74 HydrophobicContact CD1-CD1 3.75Å; F68-L74 HydrophobicContact CD2-CD1 4.26Å; F68-L74 HydrophobicContact CE1-CD1 4.23Å; F68-L74 HydrophobicContact CG-CD1 3.74Å; F68-L74 HydrophobicContact CG-CD2 4.34Å
69	H	86	Confident	87.2	Confident	2 Å²	2	27 Å²	27	1%	0.009	14%	0.138	C	C	.	.			trans	-71.1	130.7	167	-65.7	-61.1	0	0	0	110.3	Q27 G50 T71 P115	Q27-H69 PolarHBondContact NE2-NE2 3.43Å; Q27-H69 PolarHBondContact OE1-NE2 2.76Å; G50-H69 PolarHBondContact O-CD2 3.32Å; G50-H69 PolarHBondContact O-N 2.84Å; G50-H69 VanDerWaalsContact O-N 3.08Å; H69-T71 HydrophobicContact CB-CG2 4.02Å; H69-T71 PolarHBondContact O-N 3.41Å; H69-T71 VanDerWaalsContact O-N 3.1Å; H69-P115 HydrophobicContact CB-CG 3.87Å; H69-P115 PolarHBondContact CD2-O 2.84Å; H69-P115 PolarHBondContact NE2-O 2.93Å; H69-P115 VanDerWaalsContact NE2-O 3.09Å
70	Q	86.6	Confident	85.9	Confident	36 Å²	36	24.5 Å²	24.5	17%	0.168	12%	0.124	C	C	.	.			trans	-80	94.5	179.2	-56.7	-58.2	-46.1	0	0	110	F68 L110 Y136	F68-Q70 PolarHBondContact O-NE2 3.47Å; Q70-L110 HydrophobicContact CB-CD2 4.44Å; Q70-Y136 WeakPolarHBondContact O-CE1 3.49Å; Q70-Y136 PolarHBondContact O-OH 2.96Å
71	T	89.5	Confident	84.3	Confident	0 Å²	0	30 Å²	30	0%	0	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-134.1	172.5	-174.4	63.9	0	0	0	0	112.5	H69 A73 L74 T75 P115 Y136	H69-T71 HydrophobicContact CB-CG2 4.02Å; H69-T71 PolarHBondContact O-N 3.41Å; H69-T71 VanDerWaalsContact O-N 3.1Å; T71-A73 PolarHBondContact O-N 2.93Å; T71-A73 WeakPolarHBondContact OG1-CB 3.3Å; T71-A73 PolarHBondContact OG1-N 2.65Å; T71-L74 PolarHBondContact O-N 2.86Å; T71-L74 PolarHBondContact OG1-N 3.35Å; T71-T75 WeakPolarHBondContact O-CB 3.36Å; T71-T75 PolarHBondContact O-N 2.73Å; T71-T75 VanDerWaalsContact O-N 3.13Å; T71-T75 PolarHBondContact O-OG1 2.71Å; T71-P115 HydrophobicContact CG2-CG 4.37Å; T71-Y136 HydrophobicContact CG2-CE1 4.48Å; T71-Y136 HydrophobicContact CG2-CE2 4.14Å
72	H	90.9	Very high	82.5	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-57.5	-33.8	167	-70.1	164.5	0	0	0	111.9	S76 W88 N103 R107 L110 S111 P112	H72-S76 WeakPolarHBondContact O-CB 3.35Å; H72-S76 PolarHBondContact O-N 3.36Å; H72-S76 PolarHBondContact O-OG 3Å; H72-W88 HydrophobicContact CB-CB 3.94Å; H72-N103 HydrophobicContact CB-CB 4.47Å; H72-N103 PolarHBondContact NE2-O 3.22Å; H72-R107 PolarHBondContact NE2-O 3.46Å; H72-L110 WeakPolarHBondContact CD2-CB 3.26Å; H72-L110 PolarHBondContact CE1-O 3.39Å; H72-L110 PolarHBondContact NE2-O 3.49Å; H72-S111 WeakPolarHBondContact CB-O 3.47Å; H72-S111 PolarHBondContact N-O 3.32Å; H72-P112 VanDerWaalsContact ND1-CA 3.31Å; H72-P112 WeakPolarHBondContact ND1-CA 3.28Å
73	A	90.3	Very high	81	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.008	16%	0.159	C	C	.	.	H	α-helix	trans	-62.7	-52.7	179.7	0	0	0	0	0	112	V49 T71 T75 L77 W88 N114	V49-A73 HydrophobicContact CG2-CB 4.08Å; T71-A73 PolarHBondContact O-N 2.93Å; T71-A73 WeakPolarHBondContact OG1-CB 3.3Å; T71-A73 PolarHBondContact OG1-N 2.65Å; A73-T75 PolarHBondContact O-N 3.22Å; A73-L77 WeakPolarHBondContact O-CG 3.44Å; A73-L77 PolarHBondContact O-N 2.9Å; A73-L77 VanDerWaalsContact O-N 3.11Å; A73-W88 HydrophobicContact CB-CB 4.49Å; A73-W88 HydrophobicContact CB-CD2 3.6Å; A73-W88 HydrophobicContact CB-CE3 4.21Å; A73-W88 HydrophobicContact CB-CG 3.71Å; A73-W88 HydrophobicContact CB-CZ2 4.1Å; A73-N114 HydrophobicContact CB-CB 4.12Å
74	L	87.7	Confident	79.8	Confident	1 Å²	1	33 Å²	33	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-60.3	-46.9	177.5	-178.6	67.2	0	0	0	111.5	Y3 V49 F68 T71 L77 K78	Y3-L74 HydrophobicContact CD1-CD1 4.12Å; V49-L74 HydrophobicContact CG1-CB 3.76Å; V49-L74 HydrophobicContact CG1-CD1 3.96Å; V49-L74 HydrophobicContact CG1-CG 4.46Å; F68-L74 HydrophobicContact CB-CD1 3.97Å; F68-L74 HydrophobicContact CB-CD2 3.64Å; F68-L74 HydrophobicContact CB-CG 4.4Å; F68-L74 HydrophobicContact CD1-CD1 3.75Å; F68-L74 HydrophobicContact CD2-CD1 4.26Å; F68-L74 HydrophobicContact CE1-CD1 4.23Å; F68-L74 HydrophobicContact CG-CD1 3.74Å; F68-L74 HydrophobicContact CG-CD2 4.34Å; T71-L74 PolarHBondContact O-N 2.86Å; T71-L74 PolarHBondContact OG1-N 3.35Å; L74-L77 PolarHBondContact O-N 3.03Å; L74-K78 HydrophobicContact CD1-CD 4.31Å; L74-K78 HydrophobicContact CG-CD 4.13Å; L74-K78 WeakPolarHBondContact O-CB 3.41Å; L74-K78 WeakPolarHBondContact O-CG 3.41Å; L74-K78 PolarHBondContact O-N 2.8Å
75	T	87.9	Confident	79.7	Confident	14 Å²	14	34.6 Å²	34.6	9%	0.086	18%	0.182	C	C	.	.	H	α-helix	trans	-66.7	-45	-175.4	-52.5	0	0	0	0	111.1	T71 A73 L77 K78 E79 L110	T71-T75 WeakPolarHBondContact O-CB 3.36Å; T71-T75 PolarHBondContact O-N 2.73Å; T71-T75 VanDerWaalsContact O-N 3.13Å; T71-T75 PolarHBondContact O-OG1 2.71Å; A73-T75 PolarHBondContact O-N 3.22Å; T75-L77 VanDerWaalsContact C-N 3.33Å; T75-L77 PolarHBondContact O-N 2.85Å; T75-K78 PolarHBondContact O-N 2.86Å; T75-E79 HydrophobicContact CG2-CG 4.3Å; T75-E79 VanDerWaalsContact CG2-OE1 3.28Å; T75-E79 WeakPolarHBondContact CG2-OE1 3.34Å; T75-E79 WeakPolarHBondContact O-CB 3.48Å; T75-E79 WeakPolarHBondContact O-CG 3.15Å; T75-E79 PolarHBondContact O-N 2.8Å; T75-L110 HydrophobicContact CG2-CD1 4.45Å; T75-L110 VanDerWaalsContact OG1-CD1 3.28Å; T75-L110 WeakPolarHBondContact OG1-CD1 3.3Å
76	S	86.6	Confident	80	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.007	18%	0.178	C	C	.	.	H	α-helix	trans	-59	-45.9	177.3	-60.3	0	0	0	0	110.8	H72 E79 N80 N103	H72-S76 WeakPolarHBondContact O-CB 3.35Å; H72-S76 PolarHBondContact O-N 3.36Å; H72-S76 PolarHBondContact O-OG 3Å; S76-E79 PolarHBondContact O-N 2.86Å; S76-N80 WeakPolarHBondContact O-CA 3.41Å; S76-N80 WeakPolarHBondContact O-CB 3.36Å; S76-N80 PolarHBondContact O-N 2.96Å; S76-N103 PolarHBondContact OG-ND2 2.77Å
77	L	81.7	Confident	80.5	Confident	13 Å²	13	34.2 Å²	34.2	7%	0.068	18%	0.178	C	C	.	.	H	α-helix	trans	-70.1	-33.6	-179.4	-71.1	-173.7	0	0	0	113.2	Y3 A41 V49 A73 L74 T75 W88	Y3-L77 HydrophobicContact CE1-CB 3.65Å; Y3-L77 HydrophobicContact CE1-CD1 4.47Å; Y3-L77 VanDerWaalsContact CZ-C 3.47Å; Y3-L77 VanDerWaalsContact CZ-O 3.27Å; Y3-L77 VanDerWaalsContact OH-C 3.22Å; Y3-L77 WeakPolarHBondContact OH-CB 3.45Å; Y3-L77 PolarHBondContact OH-O 2.89Å; A41-L77 HydrophobicContact CB-CD2 3.74Å; V49-L77 HydrophobicContact CG2-CD1 3.36Å; V49-L77 HydrophobicContact CG2-CG 4.34Å; A73-L77 WeakPolarHBondContact O-CG 3.44Å; A73-L77 PolarHBondContact O-N 2.9Å; A73-L77 VanDerWaalsContact O-N 3.11Å; L74-L77 PolarHBondContact O-N 3.03Å; T75-L77 VanDerWaalsContact C-N 3.33Å; T75-L77 PolarHBondContact O-N 2.85Å; L77-W88 HydrophobicContact CD1-CH2 4.01Å; L77-W88 HydrophobicContact CD2-CH2 3.77Å; L77-W88 HydrophobicContact CD2-CZ3 4.18Å; L77-W88 HydrophobicContact CG-CH2 3.69Å; L77-W88 HydrophobicContact CG-CZ3 4.08Å
78	K	80.8	Confident	81	Confident	94 Å²	94	33.8 Å²	33.8	41%	0.409	18%	0.177	S	C	.	.	H	α-helix	trans	-65.5	-41.4	174.3	-82	-178.9	174.4	180	0	112.8	Y3 L74 T75	Y3-K78 HydrophobicContact CD1-CG 4.13Å; Y3-K78 HydrophobicContact CD2-CB 4.33Å; Y3-K78 HydrophobicContact CD2-CG 3.45Å; Y3-K78 VanDerWaalsContact CD2-CG 3.45Å; Y3-K78 HydrophobicContact CE2-CB 4.45Å; Y3-K78 HydrophobicContact CE2-CG 3.99Å; Y3-K78 HydrophobicContact CG-CD 4.38Å; Y3-K78 HydrophobicContact CG-CG 3.54Å; L74-K78 HydrophobicContact CD1-CD 4.31Å; L74-K78 HydrophobicContact CG-CD 4.13Å; L74-K78 WeakPolarHBondContact O-CB 3.41Å; L74-K78 WeakPolarHBondContact O-CG 3.41Å; L74-K78 PolarHBondContact O-N 2.8Å; T75-K78 PolarHBondContact O-N 2.86Å
79	E	78.3	Confident	81.5	Confident	107 Å²	107	34.6 Å²	34.6	50%	0.5	18%	0.179	S	C	.	.	H	α-helix	trans	-99.6	-36.1	-169.4	-64.3	178.1	-178.5	0	0	113.9	T75 S76 Y81 R107	T75-E79 HydrophobicContact CG2-CG 4.3Å; T75-E79 VanDerWaalsContact CG2-OE1 3.28Å; T75-E79 WeakPolarHBondContact CG2-OE1 3.34Å; T75-E79 WeakPolarHBondContact O-CB 3.48Å; T75-E79 WeakPolarHBondContact O-CG 3.15Å; T75-E79 PolarHBondContact O-N 2.8Å; S76-E79 PolarHBondContact O-N 2.86Å; E79-Y81 PolarHBondContact O-N 2.83Å; E79-R107 IonicContact OE1-NH2 3.1Å; E79-R107 IonicContact OE2-CZ 3.54Å; E79-R107 IonicContact OE2-NE 3.84Å; E79-R107 IonicContact OE2-NH1 2.61Å; E79-R107 IonicContact OE2-NH2 2.82Å; E79-R107 PolarHBondContact OE2-NH2 2.91Å
80	N	66	Low	81.8	Confident	47 Å²	47	34.8 Å²	34.8	25%	0.251	18%	0.181	S	C	.	.	S	Bend	trans	-85.5	18.4	-178.9	-63.6	-23.2	0	0	0	112.1	S76 P82 T83	S76-N80 WeakPolarHBondContact O-CA 3.41Å; S76-N80 WeakPolarHBondContact O-CB 3.36Å; S76-N80 PolarHBondContact O-N 2.96Å; N80-P82 CarbonylContact O-C 3.6Å; N80-P82 WeakPolarHBondContact O-CA 3.14Å; N80-T83 WeakPolarHBondContact CB-OG1 3.48Å; N80-T83 PolarHBondContact O-N 2.8Å; N80-T83 PolarHBondContact O-OG1 2.85Å
81	Y	58.7	Low	82.1	Confident	130 Å²	130	33.3 Å²	33.3	51%	0.51	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	118	167.7	-170	-97.1	0	0	0	108.3	R34 E79	R34-Y81 HydrophobicContact CB-CE2 4.15Å; R34-Y81 VanDerWaalsContact O-CD2 3.23Å; R34-Y81 WeakPolarHBondContact O-CD2 3.41Å; R34-Y81 WeakPolarHBondContact O-CE2 3.4Å; E79-Y81 PolarHBondContact O-N 2.83Å
82	P	59.1	Low	82.3	Confident	61 Å²	61	36.6 Å²	36.6	40%	0.396	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	cis	-116.3	16.8	16.4	42.5	-33.8	0	0	0	116	A36 N80 S84	A36-P82 HydrophobicContact CB-CB 3.83Å; A36-P82 HydrophobicContact CB-CG 4.38Å; N80-P82 CarbonylContact O-C 3.6Å; N80-P82 WeakPolarHBondContact O-CA 3.14Å; P82-S84 PolarHBondContact O-N 3.34Å
83	T	60	Low	82.4	Confident	79 Å²	79	36.9 Å²	36.9	49%	0.485	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-3	-167.3	62.9	0	0	0	0	115.8	N80 T85	N80-T83 WeakPolarHBondContact CB-OG1 3.48Å; N80-T83 PolarHBondContact O-N 2.8Å; N80-T83 PolarHBondContact O-OG1 2.85Å; T83-T85 PolarHBondContact O-N 2.89Å; T83-T85 PolarHBondContact OG1-OG1 2.94Å
84	S	67.2	Low	82.5	Confident	69 Å²	69	42.6 Å²	42.6	48%	0.483	21%	0.214	S	C	.	.			trans	56.2	5.4	175.2	64.5	0	0	0	0	115.7	P82	P82-S84 PolarHBondContact O-N 3.34Å
85	T	84.1	Confident	82.8	Confident	44 Å²	44	43 Å²	43	27%	0.27	22%	0.217	S	C	.	.			trans	-79.6	130.5	-177.4	50.2	0	0	0	0	110.9	T83 D96	T83-T85 PolarHBondContact O-N 2.89Å; T83-T85 PolarHBondContact OG1-OG1 2.94Å; T85-D96 HydrophobicContact CG2-CB 4.27Å
86	I	91.3	Very high	83	Confident	6 Å²	6	45.1 Å²	45.1	3%	0.031	23%	0.228	C	C	.	.			trans	-98	102	-177.5	-56.5	-61.9	0	0	0	109.1	A41 V42 W88 T90 T93 T95 D96	A41-I86 HydrophobicContact CB-CD1 4.28Å; V42-I86 HydrophobicContact CG1-CD1 4.03Å; I86-W88 HydrophobicContact CB-CZ3 4.34Å; I86-W88 HydrophobicContact CD1-CH2 3.4Å; I86-W88 VanDerWaalsContact CD1-CH2 3.4Å; I86-W88 HydrophobicContact CD1-CZ2 4.08Å; I86-W88 HydrophobicContact CD1-CZ3 3.84Å; I86-W88 HydrophobicContact CG1-CH2 4.5Å; I86-W88 HydrophobicContact CG2-CD2 3.88Å; I86-W88 HydrophobicContact CG2-CE3 3.88Å; I86-W88 HydrophobicContact CG2-CH2 3.93Å; I86-W88 HydrophobicContact CG2-CZ2 3.93Å; I86-W88 HydrophobicContact CG2-CZ3 3.9Å; I86-T90 HydrophobicContact CG2-CG2 3.59Å; I86-T93 HydrophobicContact CD1-CG2 4.4Å; I86-T93 HydrophobicContact CG1-CG2 3.83Å; I86-T95 HydrophobicContact CG2-CG2 4.29Å; I86-D96 PolarHBondContact O-N 2.86Å
87	G	91.9	Very high	83.1	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.24	C	C	.	.			trans	-99.8	31.5	-175.4	0	0	0	0	0	114.9	N103	G87-N103 PolarHBondContact O-ND2 3.33Å
88	W	92.8	Very high	83.5	Confident	1 Å²	1	52.6 Å²	52.6	0%	0.004	26%	0.262	C	S	.	.	S	Bend	trans	-144.1	166.3	176.8	69.2	95	0	0	0	110	V42 H72 A73 L77 I86 T90 T95 C100 P112	V42-W88 HydrophobicContact CG1-CH2 4.09Å; V42-W88 HydrophobicContact CG1-CZ2 3.63Å; H72-W88 HydrophobicContact CB-CB 3.94Å; A73-W88 HydrophobicContact CB-CB 4.49Å; A73-W88 HydrophobicContact CB-CD2 3.6Å; A73-W88 HydrophobicContact CB-CE3 4.21Å; A73-W88 HydrophobicContact CB-CG 3.71Å; A73-W88 HydrophobicContact CB-CZ2 4.1Å; L77-W88 HydrophobicContact CD1-CH2 4.01Å; L77-W88 HydrophobicContact CD2-CH2 3.77Å; L77-W88 HydrophobicContact CD2-CZ3 4.18Å; L77-W88 HydrophobicContact CG-CH2 3.69Å; L77-W88 HydrophobicContact CG-CZ3 4.08Å; I86-W88 HydrophobicContact CB-CZ3 4.34Å; I86-W88 HydrophobicContact CD1-CH2 3.4Å; I86-W88 VanDerWaalsContact CD1-CH2 3.4Å; I86-W88 HydrophobicContact CD1-CZ2 4.08Å; I86-W88 HydrophobicContact CD1-CZ3 3.84Å; I86-W88 HydrophobicContact CG1-CH2 4.5Å; I86-W88 HydrophobicContact CG2-CD2 3.88Å; I86-W88 HydrophobicContact CG2-CE3 3.88Å; I86-W88 HydrophobicContact CG2-CH2 3.93Å; I86-W88 HydrophobicContact CG2-CZ2 3.93Å; I86-W88 HydrophobicContact CG2-CZ3 3.9Å; W88-T90 PolarHBondContact O-N 2.99Å; W88-T95 VanDerWaalsContact O-CG2 3.25Å; W88-T95 WeakPolarHBondContact O-CG2 3.26Å; W88-C100 PolarHBondContact N-SG 3.5Å; W88-P112 WeakPolarHBondContact CB-O 3.29Å
89	R	93.1	Very high	84.1	Confident	19 Å²	19	48.7 Å²	48.7	7%	0.072	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-74.8	128.7	178.7	-168.6	-175.5	-169.9	163.3	-14.6	110.8	P112 Y113 L165 V276	R89-P112 PolarHBondContact N-O 3.31Å; R89-Y113 HydrophobicContact CB-CD1 4.34Å; R89-Y113 HydrophobicContact CB-CE1 4.45Å; R89-L165 PolarHBondContact NH2-O 3.11Å; R89-V276 WeakPolarHBondContact CD-O 3.18Å; R89-V276 VanDerWaalsContact CG-O 3.23Å; R89-V276 WeakPolarHBondContact CG-O 3.28Å; R89-V276 PolarHBondContact NE-O 3.05Å
90	T	94.2	Very high	84.8	Confident	6 Å²	6	43.7 Å²	43.7	4%	0.037	22%	0.223	C	C	.	.			trans	-112	166.4	-179	54.5	0	0	0	0	111.8	D47 I86 W88 T93 T95 P279 L280	D47-T90 HydrophobicContact CB-CG2 4.29Å; D47-T90 WeakPolarHBondContact OD1-CA 2.99Å; D47-T90 VanDerWaalsContact OD1-CB 3.24Å; D47-T90 WeakPolarHBondContact OD1-CB 3.12Å; I86-T90 HydrophobicContact CG2-CG2 3.59Å; W88-T90 PolarHBondContact O-N 2.99Å; T90-T93 WeakPolarHBondContact CB-O 3.38Å; T90-T93 PolarHBondContact OG1-O 2.86Å; T90-T95 HydrophobicContact CG2-CG2 4.09Å; T90-T95 WeakPolarHBondContact OG1-CG2 3.24Å; T90-P279 CarbonylContact O-C 3.45Å; T90-P279 WeakPolarHBondContact O-CA 3.46Å; T90-L280 PolarHBondContact O-N 3.04Å
91	F	92.5	Very high	86	Confident	6 Å²	6	43.9 Å²	43.9	3%	0.026	22%	0.224	C	C	.	.	S	Bend	trans	-70.5	-53.5	164	-169.8	-101.9	0	0	0	111.9	H44 F46 D47 H131 L280 M281 F346	H44-F91 AromaticContact CE1-CD1 3.56Å; H44-F91 AromaticContact CE1-CE1 3.73Å; H44-F91 AromaticContact ND1-CD1 3.7Å; H44-F91 AromaticContact NE2-CE1 4Å; F46-F91 HydrophobicContact CB-CB 4.03Å; F46-F91 HydrophobicContact CB-CD1 4.15Å; F46-F91 HydrophobicContact CB-CG 4.03Å; F46-F91 AromaticContact CD2-CD1 3.83Å; F46-F91 HydrophobicContact CD2-CD1 3.83Å; F46-F91 HydrophobicContact CD2-CD2 4.35Å; F46-F91 AromaticContact CD2-CE1 3.71Å; F46-F91 HydrophobicContact CD2-CE1 3.71Å; F46-F91 HydrophobicContact CD2-CE2 4.26Å; F46-F91 HydrophobicContact CD2-CG 4.15Å; F46-F91 AromaticContact CD2-CZ 3.95Å; F46-F91 HydrophobicContact CD2-CZ 3.95Å; F46-F91 HydrophobicContact CE2-CE1 4.3Å; F46-F91 HydrophobicContact CE2-CZ 4.37Å; F46-F91 HydrophobicContact CG-CD1 4.47Å; D47-F91 WeakPolarHBondContact OD1-CA 3.19Å; D47-F91 WeakPolarHBondContact OD1-CB 3.3Å; D47-F91 PolarHBondContact OD1-N 3.08Å; F91-H131 AromaticContact CD2-CD2 3.74Å; F91-H131 AromaticContact CD2-NE2 3.87Å; F91-H131 AromaticContact CE2-NE2 3.82Å; F91-L280 HydrophobicContact CD2-CD2 3.84Å; F91-L280 HydrophobicContact CE2-CD2 4.05Å; F91-L280 PolarHBondContact O-N 2.86Å; F91-M281 HydrophobicContact CD1-CG 3.74Å; F91-M281 HydrophobicContact CD2-CG 3.97Å; F91-M281 HydrophobicContact CD2-SD 4.39Å; F91-M281 HydrophobicContact CE1-CE 4.45Å; F91-M281 HydrophobicContact CE1-CG 3.42Å; F91-M281 VanDerWaalsContact CE1-CG 3.42Å; F91-M281 HydrophobicContact CE1-SD 4.06Å; F91-M281 HydrophobicContact CE2-CG 3.66Å; F91-M281 HydrophobicContact CE2-SD 3.58Å; F91-M281 VanDerWaalsContact CE2-SD 3.58Å; F91-M281 HydrophobicContact CG-CG 4Å; F91-M281 HydrophobicContact CZ-CE 4Å; F91-M281 HydrophobicContact CZ-CG 3.36Å; F91-M281 HydrophobicContact CZ-SD 3.38Å; F91-M281 WeakPolarHBondContact CZ-SD 3.24Å; F91-M281 WeakPolarHBondContact O-CB 3.41Å; F91-M281 VanDerWaalsContact O-CG 3.3Å; F91-M281 WeakPolarHBondContact O-CG 3.49Å; F91-M281 PolarHBondContact O-N 3.44Å; F91-F346 AromaticContact CE1-CD1 3.84Å; F91-F346 HydrophobicContact CE1-CD1 3.84Å; F91-F346 HydrophobicContact CE1-CE1 4.33Å; F91-F346 HydrophobicContact CE1-CG 4.38Å; F91-F346 AromaticContact CZ-CD1 3.62Å; F91-F346 HydrophobicContact CZ-CD1 3.62Å; F91-F346 AromaticContact CZ-CE1 3.63Å; F91-F346 HydrophobicContact CZ-CE1 3.63Å; F91-F346 HydrophobicContact CZ-CG 4.34Å; F91-F346 HydrophobicContact CZ-CZ 4.35Å
92	R	93	Very high	87.6	Confident	69 Å²	69	44 Å²	44	26%	0.26	22%	0.224	S	C	.	.	S	Bend	trans	-138.6	-26.9	-176.4	-91.1	-169.8	173.7	-144.9	3.2	115.9	H44 D47 Q94 M281 N347	H44-R92 HydrophobicContact CB-CB 3.91Å; D47-R92 PolarHBondContact OD2-N 2.81Å; D47-R92 VanDerWaalsContact OD2-N 3.16Å; R92-Q94 PolarHBondContact O-N 3.33Å; R92-M281 HydrophobicContact CG-CB 3.71Å; R92-M281 HydrophobicContact CG-CG 3.9Å; R92-N347 PolarHBondContact NH1-OD1 3.17Å
93	T	93.1	Very high	89.1	Confident	7 Å²	7	41.2 Å²	41.2	4%	0.043	21%	0.206	C	C	.	.	S	Bend	trans	-65	126.6	-176.7	-60.2	0	0	0	0	109.9	V42 S43 H44 D47 I86 T90 T95 P279	V42-T93 HydrophobicContact CB-CG2 4.14Å; V42-T93 WeakPolarHBondContact CB-OG1 3.34Å; V42-T93 HydrophobicContact CG1-CG2 4.38Å; S43-T93 PolarHBondContact N-OG1 3Å; S43-T93 WeakPolarHBondContact OG-CA 3.43Å; S43-T93 PolarHBondContact OG-OG1 3.31Å; H44-T93 PolarHBondContact N-OG1 2.67Å; D47-T93 WeakPolarHBondContact OD2-CA 3.31Å; D47-T93 WeakPolarHBondContact OD2-CB 3.48Å; D47-T93 PolarHBondContact OD2-N 2.98Å; D47-T93 PolarHBondContact OD2-OG1 2.79Å; I86-T93 HydrophobicContact CD1-CG2 4.4Å; I86-T93 HydrophobicContact CG1-CG2 3.83Å; T90-T93 WeakPolarHBondContact CB-O 3.38Å; T90-T93 PolarHBondContact OG1-O 2.86Å; T93-T95 PolarHBondContact O-N 3.36Å; T93-P279 WeakPolarHBondContact O-CG 3.35Å
94	Q	92.9	Very high	90.6	Very high	120 Å²	120	40.1 Å²	40.1	56%	0.561	20%	0.195	S	C	*	.	P	Polyproline II helix	trans	-53.4	130	178.4	-175.4	58.2	48.9	0	0	111.5	R92	R92-Q94 PolarHBondContact O-N 3.33Å
95	T	93.4	Very high	91.8	Very high	10 Å²	10	44 Å²	44	6%	0.061	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-96	153.7	-179.7	60	0	0	0	0	111.7	I86 W88 T90 T93 R277 P279	I86-T95 HydrophobicContact CG2-CG2 4.29Å; W88-T95 VanDerWaalsContact O-CG2 3.25Å; W88-T95 WeakPolarHBondContact O-CG2 3.26Å; T90-T95 HydrophobicContact CG2-CG2 4.09Å; T90-T95 WeakPolarHBondContact OG1-CG2 3.24Å; T93-T95 PolarHBondContact O-N 3.36Å; T95-R277 VanDerWaalsContact CB-O 3.31Å; T95-R277 WeakPolarHBondContact CB-O 3.42Å; T95-R277 WeakPolarHBondContact CG2-O 3.46Å; T95-R277 PolarHBondContact OG1-O 2.9Å; T95-P279 HydrophobicContact CG2-CG 4.4Å
96	D	92.1	Very high	92.1	Very high	58 Å²	58	45.8 Å²	45.8	31%	0.31	22%	0.216	S	C	.	.			trans	-100.7	109.8	167.7	178.3	-111.6	0	0	0	109.6	T85 I86 H98 S99 C100	T85-D96 HydrophobicContact CG2-CB 4.27Å; I86-D96 PolarHBondContact O-N 2.86Å; D96-H98 VanDerWaalsContact C-N 3.3Å; D96-H98 PolarHBondContact O-N 2.85Å; D96-S99 WeakPolarHBondContact O-CB 3.32Å; D96-S99 PolarHBondContact O-N 3Å; D96-S99 VanDerWaalsContact O-N 3.14Å; D96-S99 WeakPolarHBondContact OD1-CB 3.38Å; D96-S99 PolarHBondContact OD1-N 3.03Å; D96-S99 PolarHBondContact OD1-OG 2.96Å; D96-C100 PolarHBondContact O-N 2.79Å; D96-C100 PolarHBondContact O-SG 3.15Å; D96-C100 VanDerWaalsContact O-SG 3.42Å
97	E	89.3	Confident	92	Very high	57 Å²	57	47.7 Å²	47.7	27%	0.266	22%	0.223	S	C	.	.	H	α-helix	trans	-63.7	-36.6	-171.7	-171.6	171.4	162.2	0	0	112.8	C100 L101 K278	E97-C100 PolarHBondContact O-N 3.44Å; E97-L101 HydrophobicContact CG-CD1 4.37Å; E97-L101 WeakPolarHBondContact O-CB 3.34Å; E97-L101 WeakPolarHBondContact O-CG 3.32Å; E97-L101 PolarHBondContact O-N 3.34Å; E97-K278 IonicContact OE2-NZ 2.77Å; E97-K278 PolarHBondContact OE2-NZ 2.85Å
98	H	90.7	Very high	91.8	Very high	115 Å²	115	51.5 Å²	51.5	53%	0.532	25%	0.248	S	C	.	.	H	α-helix	trans	-66.5	-38.9	176.8	-172.6	69.3	0	0	0	111.6	D96 R102	D96-H98 VanDerWaalsContact C-N 3.3Å; D96-H98 PolarHBondContact O-N 2.85Å; H98-R102 PolarHBondContact CD2-NH2 2.82Å; H98-R102 VanDerWaalsContact CD2-NH2 3.31Å; H98-R102 PolarHBondContact NE2-NH2 3.1Å; H98-R102 VanDerWaalsContact O-CB 3.29Å; H98-R102 WeakPolarHBondContact O-CB 3.42Å; H98-R102 PolarHBondContact O-N 2.93Å
99	S	92	Very high	91.4	Very high	11 Å²	11	55.2 Å²	55.2	8%	0.077	27%	0.268	C	S	.	.	H	α-helix	trans	-65.8	-42.1	173.2	-63.3	0	0	0	0	112	D96 R102 N103	D96-S99 WeakPolarHBondContact O-CB 3.32Å; D96-S99 PolarHBondContact O-N 3Å; D96-S99 VanDerWaalsContact O-N 3.14Å; D96-S99 WeakPolarHBondContact OD1-CB 3.38Å; D96-S99 PolarHBondContact OD1-N 3.03Å; D96-S99 PolarHBondContact OD1-OG 2.96Å; S99-R102 PolarHBondContact O-N 3.43Å; S99-N103 WeakPolarHBondContact O-CB 3.46Å; S99-N103 PolarHBondContact O-N 2.86Å; S99-N103 PolarHBondContact O-ND2 2.87Å
100	C	93	Very high	91.1	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.014	27%	0.266	C	S	.	.	H	α-helix	trans	-58.7	-51.1	174.4	-67.7	0	0	0	0	111.3	W88 D96 E97 R102 N103 E104 R277	W88-C100 PolarHBondContact N-SG 3.5Å; D96-C100 PolarHBondContact O-N 2.79Å; D96-C100 PolarHBondContact O-SG 3.15Å; D96-C100 VanDerWaalsContact O-SG 3.42Å; E97-C100 PolarHBondContact O-N 3.44Å; C100-R102 VanDerWaalsContact C-N 3.35Å; C100-R102 PolarHBondContact O-N 2.7Å; C100-N103 PolarHBondContact O-N 3.41Å; C100-E104 WeakPolarHBondContact O-CG 3.36Å; C100-E104 PolarHBondContact O-N 3.46Å; C100-R277 HydrophobicContact CB-CB 4.15Å; C100-R277 HydrophobicContact CB-CG 4.04Å
101	L	92	Very high	90.9	Very high	52 Å²	52	54.4 Å²	54.4	27%	0.272	26%	0.264	S	S	.	.	H	α-helix	trans	-58.9	-45	178	-78.3	167.5	0	0	0	112.2	E97 N103 E104 Q105	E97-L101 HydrophobicContact CG-CD1 4.37Å; E97-L101 WeakPolarHBondContact O-CB 3.34Å; E97-L101 WeakPolarHBondContact O-CG 3.32Å; E97-L101 PolarHBondContact O-N 3.34Å; L101-N103 VanDerWaalsContact C-N 3.33Å; L101-N103 PolarHBondContact O-N 2.96Å; L101-E104 PolarHBondContact O-N 3.19Å; L101-Q105 WeakPolarHBondContact O-CB 3.43Å; L101-Q105 VanDerWaalsContact O-CG 3.26Å; L101-Q105 WeakPolarHBondContact O-CG 3.33Å; L101-Q105 PolarHBondContact O-N 3.22Å
102	R	92	Very high	90.7	Very high	132 Å²	132	55.1 Å²	55.1	50%	0.498	27%	0.27	S	S	.	.	H	α-helix	trans	-60.6	-43.4	177.4	-173.9	-172	-57.6	-158.7	-0.3	111.4	H98 S99 C100 Q105 T106	H98-R102 PolarHBondContact CD2-NH2 2.82Å; H98-R102 VanDerWaalsContact CD2-NH2 3.31Å; H98-R102 PolarHBondContact NE2-NH2 3.1Å; H98-R102 VanDerWaalsContact O-CB 3.29Å; H98-R102 WeakPolarHBondContact O-CB 3.42Å; H98-R102 PolarHBondContact O-N 2.93Å; S99-R102 PolarHBondContact O-N 3.43Å; C100-R102 VanDerWaalsContact C-N 3.35Å; C100-R102 PolarHBondContact O-N 2.7Å; R102-Q105 PolarHBondContact O-N 3.28Å; R102-T106 HydrophobicContact CG-CG2 4.23Å; R102-T106 WeakPolarHBondContact O-CB 3.41Å; R102-T106 WeakPolarHBondContact O-CG2 3.47Å; R102-T106 PolarHBondContact O-N 3.4Å; R102-T106 PolarHBondContact O-OG1 3.31Å
103	N	91.5	Very high	90.6	Very high	3 Å²	3	52.9 Å²	52.9	2%	0.016	26%	0.262	C	S	.	.	H	α-helix	trans	-64.2	-44.8	178.2	-79.1	-20.3	0	0	0	111.9	H72 S76 G87 S99 C100 L101 Q105 R107	H72-N103 HydrophobicContact CB-CB 4.47Å; H72-N103 PolarHBondContact NE2-O 3.22Å; S76-N103 PolarHBondContact OG-ND2 2.77Å; G87-N103 PolarHBondContact O-ND2 3.33Å; S99-N103 WeakPolarHBondContact O-CB 3.46Å; S99-N103 PolarHBondContact O-N 2.86Å; S99-N103 PolarHBondContact O-ND2 2.87Å; C100-N103 PolarHBondContact O-N 3.41Å; L101-N103 VanDerWaalsContact C-N 3.33Å; L101-N103 PolarHBondContact O-N 2.96Å; N103-Q105 VanDerWaalsContact C-N 3.31Å; N103-Q105 PolarHBondContact O-N 2.9Å; N103-R107 CarbonylContact O-C 3.51Å; N103-R107 WeakPolarHBondContact O-CA 3.4Å; N103-R107 WeakPolarHBondContact O-CB 3.47Å; N103-R107 PolarHBondContact O-N 3.45Å; N103-R107 PolarHBondContact OD1-NH1 2.79Å
104	E	90.2	Very high	90.4	Very high	55 Å²	55	52.8 Å²	52.8	26%	0.257	26%	0.261	S	S	.	.	H	α-helix	trans	-59.3	-41.1	175.3	-71.6	168.1	-163	0	0	112	C100 L101 R277	C100-E104 WeakPolarHBondContact O-CG 3.36Å; C100-E104 PolarHBondContact O-N 3.46Å; L101-E104 PolarHBondContact O-N 3.19Å; E104-R277 IonicContact OE1-CZ 2.7Å; E104-R277 IonicContact OE1-NE 3.43Å; E104-R277 PolarHBondContact OE1-NE 3.43Å; E104-R277 IonicContact OE1-NH2 3.43Å; E104-R277 IonicContact OE2-CZ 2.76Å; E104-R277 IonicContact OE2-NE 3.47Å; E104-R277 PolarHBondContact OE2-NE 2.89Å; E104-R277 IonicContact OE2-NH2 3.23Å; E104-R277 PolarHBondContact OE2-NH2 3.49Å
105	Q	92.1	Very high	90.2	Very high	150 Å²	150	47.2 Å²	47.2	70%	0.701	24%	0.235	S	C	*	.	H	α-helix	trans	-74.5	-42	-179.5	-72.2	173.1	-9	0	0	113.4	L101 R102 N103	L101-Q105 WeakPolarHBondContact O-CB 3.43Å; L101-Q105 VanDerWaalsContact O-CG 3.26Å; L101-Q105 WeakPolarHBondContact O-CG 3.33Å; L101-Q105 PolarHBondContact O-N 3.22Å; R102-Q105 PolarHBondContact O-N 3.28Å; N103-Q105 VanDerWaalsContact C-N 3.31Å; N103-Q105 PolarHBondContact O-N 2.9Å
106	T	92	Very high	89.8	Confident	82 Å²	82	47 Å²	47	50%	0.503	23%	0.233	S	C	.	.	H	α-helix	trans	-89.6	-21.6	-173.5	58.1	0	0	0	0	113.2	R102 P108	R102-T106 HydrophobicContact CG-CG2 4.23Å; R102-T106 WeakPolarHBondContact O-CB 3.41Å; R102-T106 WeakPolarHBondContact O-CG2 3.47Å; R102-T106 PolarHBondContact O-N 3.4Å; R102-T106 PolarHBondContact O-OG1 3.31Å; T106-P108 VanDerWaalsContact C-CD 3.5Å
107	R	89	Confident	89.3	Confident	47 Å²	47	44.2 Å²	44.2	18%	0.177	22%	0.219	C	C	.	.			trans	-136.7	59.1	-176.6	-54.4	179.2	-171.4	112.9	11.7	111	H72 E79 N103 D109 L110	H72-R107 PolarHBondContact NE2-O 3.46Å; E79-R107 IonicContact OE1-NH2 3.1Å; E79-R107 IonicContact OE2-CZ 3.54Å; E79-R107 IonicContact OE2-NE 3.84Å; E79-R107 IonicContact OE2-NH1 2.61Å; E79-R107 IonicContact OE2-NH2 2.82Å; E79-R107 PolarHBondContact OE2-NH2 2.91Å; N103-R107 CarbonylContact O-C 3.51Å; N103-R107 WeakPolarHBondContact O-CA 3.4Å; N103-R107 WeakPolarHBondContact O-CB 3.47Å; N103-R107 PolarHBondContact O-N 3.45Å; N103-R107 PolarHBondContact OD1-NH1 2.79Å; R107-D109 WeakPolarHBondContact CA-OD1 3.22Å; R107-D109 PolarHBondContact O-N 3.01Å; R107-D109 VanDerWaalsContact O-N 3.15Å; R107-L110 HydrophobicContact CB-CB 4.39Å; R107-L110 HydrophobicContact CB-CD1 4.11Å; R107-L110 HydrophobicContact CB-CG 4.26Å; R107-L110 PolarHBondContact O-N 2.86Å; R107-L110 VanDerWaalsContact O-N 3.1Å
108	P	87.4	Confident	89.1	Confident	80 Å²	80	41.5 Å²	41.5	52%	0.519	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-18.2	-177.1	28.3	-36.3	0	0	0	112.8	T106 L110 R152	T106-P108 VanDerWaalsContact C-CD 3.5Å; P108-L110 VanDerWaalsContact C-N 3.33Å; P108-R152 PolarHBondContact O-NH1 2.9Å; P108-R152 VanDerWaalsContact O-NH1 3.17Å; P108-R152 PolarHBondContact O-NH2 3.47Å
109	D	84.1	Confident	88.9	Confident	79 Å²	79	36 Å²	36	42%	0.422	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-24.6	175.6	59.4	-48.9	0	0	0	113.4	R107 R147	R107-D109 WeakPolarHBondContact CA-OD1 3.22Å; R107-D109 PolarHBondContact O-N 3.01Å; R107-D109 VanDerWaalsContact O-N 3.15Å; D109-R147 IonicContact OD2-CZ 3.67Å; D109-R147 IonicContact OD2-NH1 3.53Å; D109-R147 PolarHBondContact OD2-NH1 3.17Å; D109-R147 IonicContact OD2-NH2 3.85Å
110	L	87.5	Confident	88.7	Confident	7 Å²	7	35.6 Å²	35.6	4%	0.037	18%	0.177	C	C	.	.	S	Bend	trans	-94.5	144.5	179.6	-58.2	-176.9	0	0	0	110.7	Q70 H72 T75 R107 P108 R152	Q70-L110 HydrophobicContact CB-CD2 4.44Å; H72-L110 WeakPolarHBondContact CD2-CB 3.26Å; H72-L110 PolarHBondContact CE1-O 3.39Å; H72-L110 PolarHBondContact NE2-O 3.49Å; T75-L110 HydrophobicContact CG2-CD1 4.45Å; T75-L110 VanDerWaalsContact OG1-CD1 3.28Å; T75-L110 WeakPolarHBondContact OG1-CD1 3.3Å; R107-L110 HydrophobicContact CB-CB 4.39Å; R107-L110 HydrophobicContact CB-CD1 4.11Å; R107-L110 HydrophobicContact CB-CG 4.26Å; R107-L110 PolarHBondContact O-N 2.86Å; R107-L110 VanDerWaalsContact O-N 3.1Å; P108-L110 VanDerWaalsContact C-N 3.33Å; L110-R152 PolarHBondContact O-NH1 2.92Å
111	S	88	Confident	88.2	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-78.7	140.8	176.7	-174	0	0	0	0	111.7	H72 Y113 E134 Y136	H72-S111 WeakPolarHBondContact CB-O 3.47Å; H72-S111 PolarHBondContact N-O 3.32Å; S111-Y113 PolarHBondContact O-N 2.98Å; S111-Y113 WeakPolarHBondContact OG-CB 3.41Å; S111-Y113 PolarHBondContact OG-N 3.44Å; S111-Y113 PolarHBondContact OG-O 2.75Å; S111-E134 VanDerWaalsContact CB-OE2 3.27Å; S111-E134 WeakPolarHBondContact CB-OE2 3.42Å; S111-E134 PolarHBondContact OG-OE2 3.15Å; S111-Y136 WeakPolarHBondContact CB-OH 3.28Å; S111-Y136 PolarHBondContact N-OH 3.29Å
112	P	90.1	Very high	87.8	Confident	21 Å²	21	35.8 Å²	35.8	14%	0.136	18%	0.177	C	C	.	.	S	Bend	trans	-74.2	-12	165.4	32.6	-35	0	0	0	112.4	H72 W88 R89	H72-P112 VanDerWaalsContact ND1-CA 3.31Å; H72-P112 WeakPolarHBondContact ND1-CA 3.28Å; W88-P112 WeakPolarHBondContact CB-O 3.29Å; R89-P112 PolarHBondContact N-O 3.31Å
113	Y	90.7	Very high	87.1	Confident	23 Å²	23	30.6 Å²	30.6	9%	0.09	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-93.9	130.3	176.4	-55.1	-84.1	0	0	0	109.8	R89 S111 P115 P133 E134	R89-Y113 HydrophobicContact CB-CD1 4.34Å; R89-Y113 HydrophobicContact CB-CE1 4.45Å; S111-Y113 PolarHBondContact O-N 2.98Å; S111-Y113 WeakPolarHBondContact OG-CB 3.41Å; S111-Y113 PolarHBondContact OG-N 3.44Å; S111-Y113 PolarHBondContact OG-O 2.75Å; Y113-P115 WeakPolarHBondContact O-CD 3.41Å; Y113-P133 HydrophobicContact CE2-CG 3.98Å; Y113-P133 WeakPolarHBondContact OH-CD 3.44Å; Y113-E134 HydrophobicContact CD2-CB 4.09Å; Y113-E134 HydrophobicContact CD2-CG 3.85Å; Y113-E134 HydrophobicContact CE2-CG 4.03Å
114	N	89.1	Confident	86.6	Confident	5 Å²	5	35.3 Å²	35.3	3%	0.027	19%	0.189	C	C	.	.			trans	-92.6	108.7	178.5	-179.3	23.6	0	0	0	108.5	C48 G50 A73 N116 S130	C48-N114 PolarHBondContact O-ND2 3.44Å; G50-N114 PolarHBondContact N-OD1 2.81Å; A73-N114 HydrophobicContact CB-CB 4.12Å; N114-N116 PolarHBondContact ND2-ND2 2.95Å; N114-N116 PolarHBondContact O-N 3.45Å; N114-N116 PolarHBondContact O-OD1 2.9Å; N114-N116 VanDerWaalsContact O-OD1 3.08Å; N114-S130 WeakPolarHBondContact O-CB 3.27Å; N114-S130 PolarHBondContact O-OG 3.08Å
115	P	87.1	Confident	86.4	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.013	18%	0.182	C	C	.	.			trans	-78.4	65.1	-178.3	34.9	-35.5	0	0	0	109.9	Q27 H69 T71 Y113 A128 Y136	Q27-P115 VanDerWaalsContact CD-O 3.29Å; Q27-P115 PolarHBondContact NE2-O 3.07Å; Q27-P115 PolarHBondContact OE1-O 3.21Å; H69-P115 HydrophobicContact CB-CG 3.87Å; H69-P115 PolarHBondContact CD2-O 2.84Å; H69-P115 PolarHBondContact NE2-O 2.93Å; H69-P115 VanDerWaalsContact NE2-O 3.09Å; T71-P115 HydrophobicContact CG2-CG 4.37Å; Y113-P115 WeakPolarHBondContact O-CD 3.41Å; P115-A128 HydrophobicContact CB-CB 4.02Å; P115-Y136 HydrophobicContact CB-CD2 4.16Å; P115-Y136 HydrophobicContact CG-CD2 3.63Å; P115-Y136 HydrophobicContact CG-CE2 4.17Å; P115-Y136 HydrophobicContact CG-CG 3.95Å
116	N	84.7	Confident	86.2	Confident	5 Å²	5	26.3 Å²	26.3	3%	0.027	15%	0.149	C	C	.	.			trans	-102.5	-2.5	-172.9	68.5	-19.8	0	0	0	113.5	Q27 F46 C48 G50 N114 L553	Q27-N116 WeakPolarHBondContact CG-O 3.24Å; F46-N116 PolarHBondContact O-ND2 3.21Å; C48-N116 PolarHBondContact O-ND2 2.88Å; G50-N116 VanDerWaalsContact CA-CB 3.45Å; N114-N116 PolarHBondContact ND2-ND2 2.95Å; N114-N116 PolarHBondContact O-N 3.45Å; N114-N116 PolarHBondContact O-OD1 2.9Å; N114-N116 VanDerWaalsContact O-OD1 3.08Å; N116-L553 HydrophobicContact CB-CD1 3.69Å; N116-L553 WeakPolarHBondContact O-CB 3.41Å; N116-L553 WeakPolarHBondContact O-CD1 3.44Å
117	M	82.7	Confident	86	Confident	1 Å²	1	22.4 Å²	22.4	1%	0.005	13%	0.125	C	C	.	.	S	Bend	trans	-95.5	-55.3	-174.9	-62.3	-64.6	-73.1	0	0	112.1	F46 A169 L553 S554 G555	F46-M117 HydrophobicContact CB-SD 3.99Å; F46-M117 HydrophobicContact CD1-CE 4.29Å; F46-M117 HydrophobicContact CD1-SD 4.2Å; F46-M117 HydrophobicContact CD2-CE 4.14Å; F46-M117 HydrophobicContact CE1-CE 4.49Å; F46-M117 HydrophobicContact CE2-CE 4.39Å; F46-M117 HydrophobicContact CG-CE 4.11Å; F46-M117 HydrophobicContact CG-SD 4.02Å; M117-A169 HydrophobicContact CB-CB 4.14Å; M117-A169 HydrophobicContact CE-CB 4.5Å; M117-L553 HydrophobicContact SD-CD2 4.49Å; M117-S554 CarbonylContact C-O 3.43Å; M117-S554 WeakPolarHBondContact CE-OG 3.24Å; M117-S554 CarbonylContact O-C 3.54Å; M117-G555 WeakPolarHBondContact O-CA 3.02Å
118	A	84.5	Confident	86	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	164.9	-167.3	0	0	0	0	0	112.8	A128 Y129 G555	A118-A128 WeakPolarHBondContact O-CA 3.46Å; A118-Y129 HydrophobicContact CB-CD2 3.91Å; A118-Y129 HydrophobicContact CB-CE2 3.41Å; A118-Y129 VanDerWaalsContact CB-CE2 3.41Å; A118-Y129 PolarHBondContact N-O 2.97Å; A118-Y129 VanDerWaalsContact N-O 3.09Å; A118-Y129 PolarHBondContact O-N 3.08Å; A118-Y129 VanDerWaalsContact O-O 3.08Å; A118-G555 WeakPolarHBondContact CA-O 3.37Å
119	F	87.7	Confident	86.1	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	163.7	169	65.6	-89.2	0	0	0	112.4	I25 Q27 L52 I126 L127 A128 Y129 M556 H558	I25-F119 HydrophobicContact CB-CE1 4.39Å; I25-F119 HydrophobicContact CB-CE2 4.03Å; I25-F119 HydrophobicContact CB-CZ 3.61Å; I25-F119 HydrophobicContact CG2-CE1 3.94Å; I25-F119 HydrophobicContact CG2-CE2 4.12Å; I25-F119 HydrophobicContact CG2-CZ 3.61Å; I25-F119 WeakPolarHBondContact O-CZ 3.3Å; Q27-F119 HydrophobicContact CB-CD1 4.05Å; Q27-F119 HydrophobicContact CB-CE1 4.26Å; L52-F119 HydrophobicContact CD2-CD1 4.46Å; F119-I126 HydrophobicContact CB-CB 4.42Å; F119-I126 HydrophobicContact CB-CD1 4.06Å; F119-I126 HydrophobicContact CD1-CD1 4.47Å; F119-I126 HydrophobicContact CD2-CB 3.94Å; F119-I126 HydrophobicContact CD2-CD1 3.87Å; F119-I126 HydrophobicContact CD2-CG1 4.49Å; F119-I126 HydrophobicContact CD2-CG2 3.83Å; F119-I126 HydrophobicContact CE2-CD1 4.45Å; F119-I126 HydrophobicContact CE2-CG2 4.19Å; F119-I126 HydrophobicContact CG-CB 4.5Å; F119-I126 HydrophobicContact CG-CD1 3.88Å; F119-L127 CarbonylContact C-O 3.48Å; F119-L127 WeakPolarHBondContact CA-O 3.17Å; F119-L127 VanDerWaalsContact CB-O 3.28Å; F119-L127 WeakPolarHBondContact CB-O 3.48Å; F119-A128 HydrophobicContact CB-CB 4.18Å; F119-Y129 PolarHBondContact O-OH 2.54Å; F119-M556 WeakPolarHBondContact CE1-O 3.41Å; F119-M556 WeakPolarHBondContact CZ-O 3.25Å; F119-M556 VanDerWaalsContact O-CB 3.25Å; F119-M556 WeakPolarHBondContact O-CB 3.28Å; F119-M556 VanDerWaalsContact O-CE 3.24Å; F119-M556 WeakPolarHBondContact O-CE 3.47Å; F119-M556 VanDerWaalsContact O-SD 3.42Å; F119-H558 HydrophobicContact CE2-CB 3.97Å
120	S	86.8	Confident	86.3	Confident	1 Å²	1	13.1 Å²	13.1	1%	0.007	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	150	169.5	-76.6	0	0	0	0	111.3	I126 L127 Y129 L179 M556	S120-I126 CarbonylContact O-C 3.54Å; S120-I126 VanDerWaalsContact O-CA 3.26Å; S120-I126 WeakPolarHBondContact O-CA 3.43Å; S120-L127 PolarHBondContact N-O 3.48Å; S120-L127 PolarHBondContact O-N 3.1Å; S120-Y129 PolarHBondContact OG-OH 3.41Å; S120-L179 WeakPolarHBondContact OG-CD1 3.49Å; S120-M556 WeakPolarHBondContact OG-CE 3.13Å
121	Q	83.2	Confident	86.4	Confident	48 Å²	48	13.6 Å²	13.6	22%	0.224	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	137.9	171.8	-173	179.4	1.4	0	0	110.3	V560	Q121-V560 HydrophobicContact CG-CG2 4.4Å
122	H	82.3	Confident	86.5	Confident	10 Å²	10	13.6 Å²	13.6	5%	0.046	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	92.4	178.5	-172.1	79.7	0	0	0	110.5	D124 S125 L127 E203 G205 C206	H122-D124 PolarHBondContact O-N 2.88Å; H122-S125 CarbonylContact C-O 3.5Å; H122-S125 PolarHBondContact N-O 3.49Å; H122-S125 CarbonylContact O-C 3.57Å; H122-S125 PolarHBondContact O-N 3.13Å; H122-S125 VanDerWaalsContact O-O 3.11Å; H122-L127 HydrophobicContact CB-CD1 4.02Å; H122-L127 HydrophobicContact CB-CD2 4.27Å; H122-L127 HydrophobicContact CB-CG 3.61Å; H122-E203 PolarHBondContact CE1-O 3.27Å; H122-E203 VanDerWaalsContact CE1-O 3.22Å; H122-G205 PolarHBondContact CE1-N 2.99Å; H122-G205 WeakPolarHBondContact NE2-CA 3.48Å; H122-G205 PolarHBondContact NE2-N 3.04Å; H122-C206 PolarHBondContact CE1-N 3.43Å; H122-C206 VanDerWaalsContact CE1-N 3.34Å; H122-C206 PolarHBondContact CE1-O 2.96Å; H122-C206 PolarHBondContact NE2-N 3.23Å; H122-C206 PolarHBondContact NE2-O 2.86Å
123	G	78.6	Confident	86.5	Confident	23 Å²	23	13.3 Å²	13.3	24%	0.237	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	-126.7	-170.9	0	0	0	0	0	111.1	S125	G123-S125 VanDerWaalsContact C-N 3.33Å
124	D	80.3	Confident	86.6	Confident	102 Å²	102	13.1 Å²	13.1	55%	0.545	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	1.8	174.4	-73.3	-56.7	0	0	0	113.8	H122 F140 R141	H122-D124 PolarHBondContact O-N 2.88Å; D124-F140 WeakPolarHBondContact O-CE1 3.28Å; D124-R141 IonicContact OD1-CZ 3.75Å; D124-R141 IonicContact OD1-NH1 3.44Å; D124-R141 PolarHBondContact OD1-NH1 2.76Å; D124-R141 IonicContact OD1-NH2 2.81Å; D124-R141 PolarHBondContact OD1-NH2 3.32Å
125	S	86.1	Confident	86.6	Confident	16 Å²	16	12.9 Å²	12.9	11%	0.112	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	178.8	176.8	-56.2	0	0	0	0	110.6	H122 G123 Q137 V138	H122-S125 CarbonylContact C-O 3.5Å; H122-S125 PolarHBondContact N-O 3.49Å; H122-S125 CarbonylContact O-C 3.57Å; H122-S125 PolarHBondContact O-N 3.13Å; H122-S125 VanDerWaalsContact O-O 3.11Å; G123-S125 VanDerWaalsContact C-N 3.33Å; S125-Q137 PolarHBondContact OG-NE2 3.35Å; S125-V138 WeakPolarHBondContact CA-O 2.99Å; S125-V138 WeakPolarHBondContact CB-O 3.34Å
126	I	87.5	Confident	86.7	Confident	0 Å²	0	13 Å²	13	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	155.8	161.4	64.1	174.4	0	0	0	109.7	I25 L52 F119 S120 Q137 V138 F140	I25-I126 HydrophobicContact CD1-CG2 4.14Å; I25-I126 HydrophobicContact CG2-CD1 4.36Å; L52-I126 HydrophobicContact CD1-CD1 3.65Å; L52-I126 HydrophobicContact CD2-CD1 4.06Å; F119-I126 HydrophobicContact CB-CB 4.42Å; F119-I126 HydrophobicContact CB-CD1 4.06Å; F119-I126 HydrophobicContact CD1-CD1 4.47Å; F119-I126 HydrophobicContact CD2-CB 3.94Å; F119-I126 HydrophobicContact CD2-CD1 3.87Å; F119-I126 HydrophobicContact CD2-CG1 4.49Å; F119-I126 HydrophobicContact CD2-CG2 3.83Å; F119-I126 HydrophobicContact CE2-CD1 4.45Å; F119-I126 HydrophobicContact CE2-CG2 4.19Å; F119-I126 HydrophobicContact CG-CB 4.5Å; F119-I126 HydrophobicContact CG-CD1 3.88Å; S120-I126 CarbonylContact O-C 3.54Å; S120-I126 VanDerWaalsContact O-CA 3.26Å; S120-I126 WeakPolarHBondContact O-CA 3.43Å; I126-Q137 CarbonylContact O-C 3.43Å; I126-Q137 VanDerWaalsContact O-CA 3.29Å; I126-Q137 WeakPolarHBondContact O-CA 2.98Å; I126-V138 HydrophobicContact CD1-CB 4.3Å; I126-V138 HydrophobicContact CG1-CB 3.77Å; I126-V138 HydrophobicContact CG1-CG1 4.34Å; I126-V138 PolarHBondContact N-O 2.9Å; I126-V138 PolarHBondContact O-N 2.94Å; I126-F140 HydrophobicContact CG2-CD1 3.84Å; I126-F140 HydrophobicContact CG2-CE1 4.03Å
127	L	89.4	Confident	86.9	Confident	1 Å²	1	14.5 Å²	14.5	1%	0.005	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	108.4	163.8	-61.3	-179.5	0	0	0	107.9	F119 S120 H122 Y129 F135 Y136 Q137 I153 L179 V202	F119-L127 CarbonylContact C-O 3.48Å; F119-L127 WeakPolarHBondContact CA-O 3.17Å; F119-L127 VanDerWaalsContact CB-O 3.28Å; F119-L127 WeakPolarHBondContact CB-O 3.48Å; S120-L127 PolarHBondContact N-O 3.48Å; S120-L127 PolarHBondContact O-N 3.1Å; H122-L127 HydrophobicContact CB-CD1 4.02Å; H122-L127 HydrophobicContact CB-CD2 4.27Å; H122-L127 HydrophobicContact CB-CG 3.61Å; L127-Y129 HydrophobicContact CB-CD1 4.3Å; L127-Y129 HydrophobicContact CB-CE1 4.33Å; L127-Y129 WeakPolarHBondContact O-CD1 3.41Å; L127-Y129 WeakPolarHBondContact O-CE1 2.97Å; L127-F135 HydrophobicContact CB-CD2 4.18Å; L127-F135 HydrophobicContact CD1-CD2 4.17Å; L127-Y136 CarbonylContact C-O 3.55Å; L127-Y136 WeakPolarHBondContact CA-O 3.48Å; L127-Q137 HydrophobicContact CD2-CB 3.61Å; L127-Q137 HydrophobicContact CD2-CG 3.96Å; L127-I153 HydrophobicContact CD1-CD1 4.21Å; L127-I153 HydrophobicContact CD2-CD1 3.51Å; L127-I153 HydrophobicContact CG-CD1 4.46Å; L127-L179 HydrophobicContact CD1-CD2 4.5Å; L127-V202 HydrophobicContact CD1-CG1 4.15Å
128	A	89.1	Confident	87	Confident	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	141.8	172.2	0	0	0	0	0	110.5	P115 A118 F119 F135 Y136	P115-A128 HydrophobicContact CB-CB 4.02Å; A118-A128 WeakPolarHBondContact O-CA 3.46Å; F119-A128 HydrophobicContact CB-CB 4.18Å; A128-F135 WeakPolarHBondContact O-CA 3.11Å; A128-Y136 PolarHBondContact N-O 3.1Å; A128-Y136 PolarHBondContact O-N 2.93Å
129	Y	89.4	Confident	87.2	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	169.8	-175.1	42.8	-107.6	0	0	0	112	A118 F119 S120 L127 F135 A169 K171 L179 M556	A118-Y129 HydrophobicContact CB-CD2 3.91Å; A118-Y129 HydrophobicContact CB-CE2 3.41Å; A118-Y129 VanDerWaalsContact CB-CE2 3.41Å; A118-Y129 PolarHBondContact N-O 2.97Å; A118-Y129 VanDerWaalsContact N-O 3.09Å; A118-Y129 PolarHBondContact O-N 3.08Å; A118-Y129 VanDerWaalsContact O-O 3.08Å; F119-Y129 PolarHBondContact O-OH 2.54Å; S120-Y129 PolarHBondContact OG-OH 3.41Å; L127-Y129 HydrophobicContact CB-CD1 4.3Å; L127-Y129 HydrophobicContact CB-CE1 4.33Å; L127-Y129 WeakPolarHBondContact O-CD1 3.41Å; L127-Y129 WeakPolarHBondContact O-CE1 2.97Å; Y129-F135 HydrophobicContact CD1-CD1 4.28Å; Y129-F135 AromaticContact CD1-CD2 3.75Å; Y129-F135 HydrophobicContact CD1-CD2 3.75Å; Y129-F135 AromaticContact CD1-CE2 3.99Å; Y129-F135 HydrophobicContact CD1-CE2 3.99Å; Y129-F135 AromaticContact CD1-CG 3.97Å; Y129-F135 HydrophobicContact CD1-CG 3.97Å; Y129-F135 HydrophobicContact CD1-CZ 4.42Å; Y129-F135 HydrophobicContact CG-CD1 4.27Å; Y129-F135 HydrophobicContact CG-CE1 4.45Å; Y129-F135 HydrophobicContact CG-CG 4.37Å; Y129-A169 WeakPolarHBondContact CE2-O 3.22Å; Y129-K171 HydrophobicContact CD1-CD 4.21Å; Y129-K171 HydrophobicContact CD2-CD 4.24Å; Y129-K171 HydrophobicContact CE1-CD 3.84Å; Y129-K171 HydrophobicContact CE2-CD 3.83Å; Y129-K171 HydrophobicContact CE2-CG 4.29Å; Y129-K171 VanDerWaalsContact CE2-NZ 3.31Å; Y129-K171 HydrophobicContact CG-CD 4.4Å; Y129-K171 VanDerWaalsContact CG-NZ 3.35Å; Y129-L179 HydrophobicContact CE1-CD2 3.99Å; Y129-M556 WeakPolarHBondContact OH-CE 3.2Å
130	S	88.1	Confident	86.9	Confident	10 Å²	10	16.9 Å²	16.9	7%	0.07	9%	0.094	C	C	.	.			trans	-135.8	-135.3	170.5	60.3	0	0	0	0	109.5	N114 G132	N114-S130 WeakPolarHBondContact O-CB 3.27Å; N114-S130 PolarHBondContact O-OG 3.08Å; S130-G132 VanDerWaalsContact C-N 3.31Å
131	H	89.8	Confident	86.6	Confident	17 Å²	17	21.8 Å²	21.8	8%	0.079	11%	0.112	C	C	.	.	S	Bend	trans	-87.8	0.7	179.3	-64.5	-67.6	0	0	0	114	F91 H166 D167 A169 Y243 L280	F91-H131 AromaticContact CD2-CD2 3.74Å; F91-H131 AromaticContact CD2-NE2 3.87Å; F91-H131 AromaticContact CE2-NE2 3.82Å; H131-H166 AromaticContact ND1-CE1 3.41Å; H131-H166 PolarHBondContact ND1-CE1 2.86Å; H131-H166 AromaticContact ND1-ND1 3.73Å; H131-D167 WeakPolarHBondContact CA-O 3.45Å; H131-D167 PolarHBondContact ND1-O 3Å; H131-D167 PolarHBondContact O-N 3.36Å; H131-A169 VanDerWaalsContact CE1-CB 3.46Å; H131-A169 WeakPolarHBondContact CE1-CB 3.36Å; H131-Y243 PolarHBondContact CE1-OH 3.39Å; H131-L280 HydrophobicContact CB-CD2 3.49Å; H131-L280 VanDerWaalsContact CB-CD2 3.49Å
132	G	90.1	Very high	86.2	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.01	12%	0.121	C	C	.	.	S	Bend	trans	-84.5	163.9	176.7	0	0	0	0	0	113.8	S130 E134 D167	S130-G132 VanDerWaalsContact C-N 3.31Å; G132-E134 VanDerWaalsContact C-N 3.31Å; G132-D167 WeakPolarHBondContact O-CB 3.27Å
133	P	89.9	Confident	85.2	Confident	14 Å²	14	26.4 Å²	26.4	9%	0.091	15%	0.145	C	C	.	.	S	Bend	trans	-69.5	-29.1	174.2	27.9	-31.5	0	0	0	113.4	Y113 V164 K209	Y113-P133 HydrophobicContact CE2-CG 3.98Å; Y113-P133 WeakPolarHBondContact OH-CD 3.44Å; P133-V164 HydrophobicContact CB-CB 3.76Å; P133-V164 HydrophobicContact CB-CG1 3.93Å; P133-V164 HydrophobicContact CB-CG2 3.82Å; P133-V164 HydrophobicContact CG-CB 3.94Å; P133-V164 HydrophobicContact CG-CG1 4.33Å; P133-V164 HydrophobicContact CG-CG2 4.41Å; P133-K209 PolarHBondContact O-NZ 3.48Å; P133-K209 VanDerWaalsContact O-NZ 3.09Å
134	E	91.6	Very high	84.3	Confident	19 Å²	19	31.5 Å²	31.5	9%	0.089	17%	0.167	C	C	.	.			trans	-83.5	133.3	-173.3	-57	-173.7	156.1	0	0	111.2	S111 Y113 G132 R152 I153 T155	S111-E134 VanDerWaalsContact CB-OE2 3.27Å; S111-E134 WeakPolarHBondContact CB-OE2 3.42Å; S111-E134 PolarHBondContact OG-OE2 3.15Å; Y113-E134 HydrophobicContact CD2-CB 4.09Å; Y113-E134 HydrophobicContact CD2-CG 3.85Å; Y113-E134 HydrophobicContact CE2-CG 4.03Å; G132-E134 VanDerWaalsContact C-N 3.31Å; E134-R152 HydrophobicContact CB-CG 4.28Å; E134-R152 WeakPolarHBondContact OE2-CD 3.24Å; E134-I153 WeakPolarHBondContact CA-O 3.25Å; E134-T155 HydrophobicContact CG-CG2 4.45Å
135	F	90.5	Very high	83.2	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	158.6	172.8	-58.1	2.3	0	0	0	109.6	L127 A128 Y129 R152 I153 F154 K171 L179 Y200	L127-F135 HydrophobicContact CB-CD2 4.18Å; L127-F135 HydrophobicContact CD1-CD2 4.17Å; A128-F135 WeakPolarHBondContact O-CA 3.11Å; Y129-F135 HydrophobicContact CD1-CD1 4.28Å; Y129-F135 AromaticContact CD1-CD2 3.75Å; Y129-F135 HydrophobicContact CD1-CD2 3.75Å; Y129-F135 AromaticContact CD1-CE2 3.99Å; Y129-F135 HydrophobicContact CD1-CE2 3.99Å; Y129-F135 AromaticContact CD1-CG 3.97Å; Y129-F135 HydrophobicContact CD1-CG 3.97Å; Y129-F135 HydrophobicContact CD1-CZ 4.42Å; Y129-F135 HydrophobicContact CG-CD1 4.27Å; Y129-F135 HydrophobicContact CG-CE1 4.45Å; Y129-F135 HydrophobicContact CG-CG 4.37Å; F135-R152 WeakPolarHBondContact O-CA 3.13Å; F135-I153 HydrophobicContact CB-CD1 4.21Å; F135-I153 HydrophobicContact CB-CG1 3.8Å; F135-I153 PolarHBondContact N-O 2.99Å; F135-I153 PolarHBondContact O-N 3.4Å; F135-F154 HydrophobicContact CB-CD2 4.22Å; F135-F154 HydrophobicContact CD1-CD2 4.25Å; F135-F154 AromaticContact CD2-CD2 3.76Å; F135-F154 HydrophobicContact CD2-CD2 3.76Å; F135-F154 AromaticContact CD2-CE2 3.58Å; F135-F154 HydrophobicContact CD2-CE2 3.58Å; F135-F154 HydrophobicContact CE1-CD2 4.47Å; F135-F154 HydrophobicContact CE2-CD2 4.03Å; F135-F154 AromaticContact CE2-CE2 3.79Å; F135-F154 HydrophobicContact CE2-CE2 3.79Å; F135-F154 AromaticContact CG-CD2 3.83Å; F135-F154 HydrophobicContact CG-CD2 3.83Å; F135-F154 HydrophobicContact CG-CE2 4.11Å; F135-F154 HydrophobicContact CZ-CD2 4.31Å; F135-F154 HydrophobicContact CZ-CE2 4.45Å; F135-K171 HydrophobicContact CE2-CD 4.18Å; F135-K171 HydrophobicContact CZ-CD 3.97Å; F135-L179 HydrophobicContact CE2-CD2 4.2Å; F135-Y200 HydrophobicContact CZ-CE2 4.12Å; F135-Y200 WeakPolarHBondContact CZ-OH 3.45Å
136	Y	88.5	Confident	82	Confident	6 Å²	6	28.2 Å²	28.2	2%	0.024	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	110.1	173.4	-87.9	-101.6	0	0	0	109.3	Q70 T71 S111 P115 L127 A128 V138	Q70-Y136 WeakPolarHBondContact O-CE1 3.49Å; Q70-Y136 PolarHBondContact O-OH 2.96Å; T71-Y136 HydrophobicContact CG2-CE1 4.48Å; T71-Y136 HydrophobicContact CG2-CE2 4.14Å; S111-Y136 WeakPolarHBondContact CB-OH 3.28Å; S111-Y136 PolarHBondContact N-OH 3.29Å; P115-Y136 HydrophobicContact CB-CD2 4.16Å; P115-Y136 HydrophobicContact CG-CD2 3.63Å; P115-Y136 HydrophobicContact CG-CE2 4.17Å; P115-Y136 HydrophobicContact CG-CG 3.95Å; L127-Y136 CarbonylContact C-O 3.55Å; L127-Y136 WeakPolarHBondContact CA-O 3.48Å; A128-Y136 PolarHBondContact N-O 3.1Å; A128-Y136 PolarHBondContact O-N 2.93Å; Y136-V138 PolarHBondContact O-N 3.12Å
137	Q	88.8	Confident	80.6	Confident	36 Å²	36	34.8 Å²	34.8	17%	0.168	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	122.3	166.8	-178.3	171.4	-13.4	0	0	108.7	S125 I126 L127 S150 S151	S125-Q137 PolarHBondContact OG-NE2 3.35Å; I126-Q137 CarbonylContact O-C 3.43Å; I126-Q137 VanDerWaalsContact O-CA 3.29Å; I126-Q137 WeakPolarHBondContact O-CA 2.98Å; L127-Q137 HydrophobicContact CD2-CB 3.61Å; L127-Q137 HydrophobicContact CD2-CG 3.96Å; Q137-S150 CarbonylContact O-C 3.51Å; Q137-S150 WeakPolarHBondContact O-CA 3.16Å; Q137-S151 PolarHBondContact N-O 2.89Å; Q137-S151 PolarHBondContact O-N 3.44Å
138	V	85.7	Confident	79	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	124.8	-175.3	171.8	0	0	0	0	110.5	L52 S125 I126 Y136 F140 M145	L52-V138 HydrophobicContact CD1-CB 4.43Å; L52-V138 HydrophobicContact CD1-CG1 3.72Å; S125-V138 WeakPolarHBondContact CA-O 2.99Å; S125-V138 WeakPolarHBondContact CB-O 3.34Å; I126-V138 HydrophobicContact CD1-CB 4.3Å; I126-V138 HydrophobicContact CG1-CB 3.77Å; I126-V138 HydrophobicContact CG1-CG1 4.34Å; I126-V138 PolarHBondContact N-O 2.9Å; I126-V138 PolarHBondContact O-N 2.94Å; Y136-V138 PolarHBondContact O-N 3.12Å; V138-F140 PolarHBondContact O-N 3.16Å; V138-M145 HydrophobicContact CB-SD 4.47Å; V138-M145 HydrophobicContact CG1-CE 3.7Å; V138-M145 HydrophobicContact CG1-SD 3.26Å; V138-M145 WeakPolarHBondContact CG1-SD 3.29Å
139	N	87	Confident	77.5	Confident	44 Å²	44	42.8 Å²	42.8	24%	0.235	23%	0.225	C	C	.	.			trans	-83.9	93.9	166.7	-172	-5.4	0	0	0	110	R141 E142 S149	N139-R141 PolarHBondContact O-N 3.3Å; N139-R141 PolarHBondContact OD1-N 3.09Å; N139-E142 HydrophobicContact CB-CG 4.45Å; N139-E142 WeakPolarHBondContact ND2-CG 3.39Å; N139-E142 PolarHBondContact ND2-OE1 3.25Å; N139-E142 PolarHBondContact O-N 3.25Å; N139-S149 PolarHBondContact N-O 2.77Å
140	F	81.3	Confident	76.5	Confident	7 Å²	7	43.6 Å²	43.6	3%	0.031	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-9.7	-176.9	63.9	-91.7	0	0	0	114	Y23 I25 I54 D124 I126 V138 V560	Y23-F140 HydrophobicContact CD1-CD2 4.02Å; Y23-F140 HydrophobicContact CD1-CE2 4.01Å; Y23-F140 HydrophobicContact CD2-CD2 4.43Å; Y23-F140 AromaticContact CD2-CE2 3.61Å; Y23-F140 HydrophobicContact CD2-CE2 3.61Å; Y23-F140 HydrophobicContact CE1-CE2 4.5Å; Y23-F140 HydrophobicContact CE2-CE2 4.14Å; Y23-F140 AromaticContact CG-CD2 3.98Å; Y23-F140 HydrophobicContact CG-CD2 3.98Å; Y23-F140 AromaticContact CG-CE2 3.55Å; Y23-F140 HydrophobicContact CG-CE2 3.55Å; I25-F140 HydrophobicContact CD1-CB 3.95Å; I25-F140 HydrophobicContact CD1-CD1 3.75Å; I25-F140 HydrophobicContact CD1-CD2 3.57Å; I25-F140 HydrophobicContact CD1-CE1 4.14Å; I25-F140 HydrophobicContact CD1-CE2 3.98Å; I25-F140 HydrophobicContact CD1-CG 3.45Å; I25-F140 VanDerWaalsContact CD1-CG 3.45Å; I25-F140 HydrophobicContact CD1-CZ 4.25Å; I54-F140 HydrophobicContact CD1-CB 4.09Å; D124-F140 WeakPolarHBondContact O-CE1 3.28Å; I126-F140 HydrophobicContact CG2-CD1 3.84Å; I126-F140 HydrophobicContact CG2-CE1 4.03Å; V138-F140 PolarHBondContact O-N 3.16Å; F140-V560 HydrophobicContact CE1-CG2 4.47Å; F140-V560 HydrophobicContact CZ-CB 4.04Å; F140-V560 HydrophobicContact CZ-CG1 3.82Å; F140-V560 HydrophobicContact CZ-CG2 4.19Å
141	R	82.1	Confident	75.9	Confident	104 Å²	104	45.5 Å²	45.5	39%	0.392	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-18.6	177.7	-63.3	-176.9	-179.3	150.8	4.7	112.5	Y23 D124 N139 A143	Y23-R141 HydrophobicContact CE2-CG 4.31Å; D124-R141 IonicContact OD1-CZ 3.75Å; D124-R141 IonicContact OD1-NH1 3.44Å; D124-R141 PolarHBondContact OD1-NH1 2.76Å; D124-R141 IonicContact OD1-NH2 2.81Å; D124-R141 PolarHBondContact OD1-NH2 3.32Å; N139-R141 PolarHBondContact O-N 3.3Å; N139-R141 PolarHBondContact OD1-N 3.09Å; R141-A143 PolarHBondContact O-N 2.84Å
142	E	73.4	Confident	75.7	Confident	86 Å²	86	48.4 Å²	48.4	40%	0.402	26%	0.255	S	S	.	.	S	Bend	trans	-69.7	126.1	175.8	-82.6	173.9	-152.7	0	0	110.8	N139 N144 S149	N139-E142 HydrophobicContact CB-CG 4.45Å; N139-E142 WeakPolarHBondContact ND2-CG 3.39Å; N139-E142 PolarHBondContact ND2-OE1 3.25Å; N139-E142 PolarHBondContact O-N 3.25Å; E142-N144 PolarHBondContact O-N 2.89Å; E142-S149 WeakPolarHBondContact OE2-CB 3.46Å
143	A	61.9	Low	75.5	Confident	68 Å²	68	49 Å²	49	56%	0.562	26%	0.257	S	S	*	.	S	Bend	trans	-60.3	-34.2	-175.2	0	0	0	0	0	112.9	R67 R141	R67-A143 PolarHBondContact NE-O 3.12Å; R67-A143 VanDerWaalsContact NE-O 3.17Å; R67-A143 PolarHBondContact NH2-O 3.08Å; R141-A143 PolarHBondContact O-N 2.84Å
144	N	60.4	Low	75.3	Confident	130 Å²	130	50 Å²	50	70%	0.695	26%	0.26	S	S	*	.	S	Bend	trans	-120.9	108.1	177	-68	-23.5	0	0	0	108.4	E142 G146	E142-N144 PolarHBondContact O-N 2.89Å; N144-G146 PolarHBondContact O-N 2.76Å
145	M	57.7	Low	74.9	Confident	11 Å²	11	51.1 Å²	51.1	5%	0.054	27%	0.269	C	S	.	.			trans	-72.4	74.4	170.9	-90.6	-152.1	-102.6	0	0	110.4	L52 I54 R67 V138 S149	L52-M145 HydrophobicContact CB-CE 4.36Å; L52-M145 HydrophobicContact CD1-CE 3.64Å; L52-M145 HydrophobicContact CG-CE 4.38Å; I54-M145 HydrophobicContact CD1-CE 4.45Å; R67-M145 HydrophobicContact CB-CB 4.38Å; R67-M145 HydrophobicContact CB-CE 3.28Å; R67-M145 HydrophobicContact CB-SD 4.47Å; R67-M145 HydrophobicContact CG-CB 4.42Å; R67-M145 HydrophobicContact CG-CE 3.82Å; V138-M145 HydrophobicContact CB-SD 4.47Å; V138-M145 HydrophobicContact CG1-CE 3.7Å; V138-M145 HydrophobicContact CG1-SD 3.26Å; V138-M145 WeakPolarHBondContact CG1-SD 3.29Å; M145-S149 VanDerWaalsContact C-OG 3.25Å; M145-S149 WeakPolarHBondContact CA-OG 3.08Å; M145-S149 WeakPolarHBondContact CB-OG 3.06Å; M145-S149 WeakPolarHBondContact CG-OG 3.2Å
146	G	60.2	Low	74.5	Confident	38 Å²	38	55.6 Å²	55.6	39%	0.392	29%	0.285	S	S	.	.			trans	-66.4	173.7	168.5	0	0	0	0	0	110.6	N144 N148 S149	N144-G146 PolarHBondContact O-N 2.76Å; G146-N148 PolarHBondContact O-N 2.73Å; G146-S149 PolarHBondContact O-N 2.92Å; G146-S149 PolarHBondContact O-OG 3.06Å
147	R	58.7	Low	73.8	Confident	139 Å²	139	65.6 Å²	65.6	53%	0.525	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-49	-27.5	173.9	-79.1	-176.6	175	-149.5	-6.4	113.9	D109	D109-R147 IonicContact OD2-CZ 3.67Å; D109-R147 IonicContact OD2-NH1 3.53Å; D109-R147 PolarHBondContact OD2-NH1 3.17Å; D109-R147 IonicContact OD2-NH2 3.85Å
148	N	54	Low	73.6	Confident	162 Å²	162	65.6 Å²	65.6	87%	0.866	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-80.8	-16	-178.5	-64.5	-7.3	0	0	0	114.6	G146 S150	G146-N148 PolarHBondContact O-N 2.73Å; N148-S150 PolarHBondContact O-N 2.79Å
149	S	57.8	Low	73.3	Confident	7 Å²	7	70.3 Å²	70.3	5%	0.049	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-81.6	-8	-178.1	69.1	0	0	0	0	113	N139 E142 M145 G146	N139-S149 PolarHBondContact N-O 2.77Å; E142-S149 WeakPolarHBondContact OE2-CB 3.46Å; M145-S149 VanDerWaalsContact C-OG 3.25Å; M145-S149 WeakPolarHBondContact CA-OG 3.08Å; M145-S149 WeakPolarHBondContact CB-OG 3.06Å; M145-S149 WeakPolarHBondContact CG-OG 3.2Å; G146-S149 PolarHBondContact O-N 2.92Å; G146-S149 PolarHBondContact O-OG 3.06Å
150	S	69.4	Low	73.2	Confident	16 Å²	16	75 Å²	75	11%	0.112	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	125.2	-179.5	68.8	0	0	0	0	111	Q137 N148	Q137-S150 CarbonylContact O-C 3.51Å; Q137-S150 WeakPolarHBondContact O-CA 3.16Å; N148-S150 PolarHBondContact O-N 2.79Å
151	S	76.1	Confident	73.5	Confident	50 Å²	50	77.5 Å²	77.5	35%	0.35	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.1	175.5	63.2	0	0	0	0	110.9	Q137	Q137-S151 PolarHBondContact N-O 2.89Å; Q137-S151 PolarHBondContact O-N 3.44Å
152	R	83.9	Confident	74	Confident	79 Å²	79	73.6 Å²	73.6	30%	0.298	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	129.8	173.1	-173.3	176.3	61.6	-172.9	-0.5	110.1	P108 L110 E134 F135 T155	P108-R152 PolarHBondContact O-NH1 2.9Å; P108-R152 VanDerWaalsContact O-NH1 3.17Å; P108-R152 PolarHBondContact O-NH2 3.47Å; L110-R152 PolarHBondContact O-NH1 2.92Å; E134-R152 HydrophobicContact CB-CG 4.28Å; E134-R152 WeakPolarHBondContact OE2-CD 3.24Å; F135-R152 WeakPolarHBondContact O-CA 3.13Å; R152-T155 HydrophobicContact CG-CG2 3.6Å
153	I	85.8	Confident	74.9	Confident	14 Å²	14	69.7 Å²	69.7	7%	0.072	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	161.4	177.3	64.5	173.2	0	0	0	110.8	L127 E134 F135 T155	L127-I153 HydrophobicContact CD1-CD1 4.21Å; L127-I153 HydrophobicContact CD2-CD1 3.51Å; L127-I153 HydrophobicContact CG-CD1 4.46Å; E134-I153 WeakPolarHBondContact CA-O 3.25Å; F135-I153 HydrophobicContact CB-CD1 4.21Å; F135-I153 HydrophobicContact CB-CG1 3.8Å; F135-I153 PolarHBondContact N-O 2.99Å; F135-I153 PolarHBondContact O-N 3.4Å; I153-T155 VanDerWaalsContact C-N 3.25Å; I153-T155 PolarHBondContact O-N 3.28Å
154	F	86.4	Confident	76.5	Confident	33 Å²	33	67.2 Å²	67.2	15%	0.145	35%	0.345	C	S	.	.	S	Bend	trans	61.6	27.9	-178.9	-45.6	-44.8	0	0	0	115	F135 V202 Q207 Q208 K209	F135-F154 HydrophobicContact CB-CD2 4.22Å; F135-F154 HydrophobicContact CD1-CD2 4.25Å; F135-F154 AromaticContact CD2-CD2 3.76Å; F135-F154 HydrophobicContact CD2-CD2 3.76Å; F135-F154 AromaticContact CD2-CE2 3.58Å; F135-F154 HydrophobicContact CD2-CE2 3.58Å; F135-F154 HydrophobicContact CE1-CD2 4.47Å; F135-F154 HydrophobicContact CE2-CD2 4.03Å; F135-F154 AromaticContact CE2-CE2 3.79Å; F135-F154 HydrophobicContact CE2-CE2 3.79Å; F135-F154 AromaticContact CG-CD2 3.83Å; F135-F154 HydrophobicContact CG-CD2 3.83Å; F135-F154 HydrophobicContact CG-CE2 4.11Å; F135-F154 HydrophobicContact CZ-CD2 4.31Å; F135-F154 HydrophobicContact CZ-CE2 4.45Å; F154-V202 HydrophobicContact CE2-CG1 4.5Å; F154-V202 HydrophobicContact CE2-CG2 3.88Å; F154-V202 HydrophobicContact CZ-CG1 3.94Å; F154-V202 HydrophobicContact CZ-CG2 3.73Å; F154-Q207 WeakPolarHBondContact CE1-O 3.14Å; F154-Q208 VanDerWaalsContact CE1-C 3.5Å; F154-K209 HydrophobicContact CD1-CB 3.7Å; F154-K209 HydrophobicContact CE1-CB 3.71Å; F154-K209 HydrophobicContact CG-CB 4.15Å; F154-K209 HydrophobicContact CZ-CB 4.12Å
155	T	83.1	Confident	78	Confident	44 Å²	44	61.1 Å²	61.1	27%	0.27	31%	0.312	S	S	.	.			trans	-58.8	142.4	169.6	57.1	0	0	0	0	110.7	E134 R152 I153 R157	E134-T155 HydrophobicContact CG-CG2 4.45Å; R152-T155 HydrophobicContact CG-CG2 3.6Å; I153-T155 VanDerWaalsContact C-N 3.25Å; I153-T155 PolarHBondContact O-N 3.28Å; T155-R157 WeakPolarHBondContact O-CG 3.48Å; T155-R157 PolarHBondContact O-N 2.96Å
156	R	81.7	Confident	79.7	Confident	93 Å²	93	60.6 Å²	60.6	35%	0.351	31%	0.309	S	S	.	.			trans	-57.1	128.8	169.6	-167.2	-177.9	176.9	-153.4	4.2	108.5	S158 P159 D161 E273	R156-S158 PolarHBondContact NE-O 2.86Å; R156-P159 PolarHBondContact NH2-O 3.34Å; R156-D161 HydrophobicContact CG-CB 3.74Å; R156-D161 PolarHBondContact NE-O 3.06Å; R156-D161 VanDerWaalsContact NE-O 3.14Å; R156-D161 PolarHBondContact NH2-O 2.88Å; R156-E273 IonicContact CZ-OE1 3.27Å; R156-E273 IonicContact CZ-OE2 2.83Å; R156-E273 VanDerWaalsContact NH1-CD 3.31Å; R156-E273 IonicContact NH1-OE1 3.15Å; R156-E273 PolarHBondContact NH1-OE1 2.78Å; R156-E273 IonicContact NH1-OE2 3.86Å; R156-E273 PolarHBondContact NH1-OE2 3.31Å; R156-E273 IonicContact NH2-OE1 3.87Å; R156-E273 PolarHBondContact NH2-OE1 2.88Å; R156-E273 IonicContact NH2-OE2 3.45Å
157	R	75.2	Confident	81.4	Confident	216 Å²	216	58.8 Å²	58.8	82%	0.815	29%	0.29	S	S	*	.			trans	-101.4	-32	-172.3	-62.8	-175.7	-178.8	-179.3	-0.9	112.2	T155 D161	T155-R157 WeakPolarHBondContact O-CG 3.48Å; T155-R157 PolarHBondContact O-N 2.96Å; R157-D161 PolarHBondContact N-OD2 2.82Å
158	S	83.3	Confident	82.9	Confident	37 Å²	37	52.1 Å²	52.1	26%	0.259	27%	0.265	S	S	.	.			trans	-131.1	147.3	-179.6	-177.5	0	0	0	0	111.4	R156 D160 D161	R156-S158 PolarHBondContact NE-O 2.86Å; S158-D160 PolarHBondContact O-N 2.83Å; S158-D160 PolarHBondContact OG-N 3.5Å; S158-D160 VanDerWaalsContact OG-N 3.07Å; S158-D160 PolarHBondContact OG-OD2 3.37Å; S158-D161 PolarHBondContact N-OD2 2.85Å; S158-D161 VanDerWaalsContact O-CB 3.26Å; S158-D161 WeakPolarHBondContact O-CB 3.45Å; S158-D161 PolarHBondContact O-N 3.18Å
159	P	80.2	Confident	84.2	Confident	99 Å²	99	44.4 Å²	44.4	64%	0.643	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-24.7	162.1	-24.9	35.2	0	0	0	113.6	R156 D161	R156-P159 PolarHBondContact NH2-O 3.34Å; P159-D161 VanDerWaalsContact C-N 3.28Å; P159-D161 PolarHBondContact O-N 2.9Å
160	D	83.6	Confident	85.5	Confident	141 Å²	141	45.4 Å²	45.4	75%	0.754	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-14.9	175.9	-58.4	-46.1	0	0	0	113.4	S158	S158-D160 PolarHBondContact O-N 2.83Å; S158-D160 PolarHBondContact OG-N 3.5Å; S158-D160 VanDerWaalsContact OG-N 3.07Å; S158-D160 PolarHBondContact OG-OD2 3.37Å
161	D	88	Confident	86.5	Confident	60 Å²	60	45 Å²	45	32%	0.321	22%	0.223	S	C	.	.	S	Bend	trans	-67.2	139.1	176.1	-69.1	-28.4	0	0	0	109.5	R156 R157 S158 P159 I163	R156-D161 HydrophobicContact CG-CB 3.74Å; R156-D161 PolarHBondContact NE-O 3.06Å; R156-D161 VanDerWaalsContact NE-O 3.14Å; R156-D161 PolarHBondContact NH2-O 2.88Å; R157-D161 PolarHBondContact N-OD2 2.82Å; S158-D161 PolarHBondContact N-OD2 2.85Å; S158-D161 VanDerWaalsContact O-CB 3.26Å; S158-D161 WeakPolarHBondContact O-CB 3.45Å; S158-D161 PolarHBondContact O-N 3.18Å; P159-D161 VanDerWaalsContact C-N 3.28Å; P159-D161 PolarHBondContact O-N 2.9Å; D161-I163 PolarHBondContact O-N 2.97Å
162	P	92.6	Very high	87.2	Confident	22 Å²	22	43.7 Å²	43.7	14%	0.143	21%	0.213	C	C	.	.			trans	-52.6	136.6	175.6	-22.6	30.4	0	0	0	112	V164 A185 A186 R187 Y198	P162-V164 PolarHBondContact O-N 3.17Å; P162-A185 HydrophobicContact CB-CB 3.78Å; P162-A186 CarbonylContact C-O 3.52Å; P162-A186 WeakPolarHBondContact CA-O 3.4Å; P162-R187 HydrophobicContact CB-CG 4.3Å; P162-R187 HydrophobicContact CG-CG 4.19Å; P162-Y198 HydrophobicContact CB-CE2 4.35Å; P162-Y198 HydrophobicContact CG-CE2 4.29Å; P162-Y198 WeakPolarHBondContact CG-OH 3.37Å
163	I	93.9	Very high	87.3	Confident	5 Å²	5	41.8 Å²	41.8	3%	0.026	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	113.1	175	-57.8	164.1	0	0	0	107.4	D161 L165 A185 A186 L188 E273 V275 V276	D161-I163 PolarHBondContact O-N 2.97Å; I163-L165 HydrophobicContact CG2-CD2 4.28Å; I163-L165 PolarHBondContact O-N 2.86Å; I163-A185 CarbonylContact O-C 3.5Å; I163-A185 WeakPolarHBondContact O-CA 3.36Å; I163-A185 VanDerWaalsContact O-CB 3.3Å; I163-A185 WeakPolarHBondContact O-CB 3.26Å; I163-A186 PolarHBondContact N-O 3.07Å; I163-A186 PolarHBondContact O-N 3Å; I163-L188 HydrophobicContact CD1-CB 4.04Å; I163-L188 HydrophobicContact CD1-CD1 4.41Å; I163-E273 HydrophobicContact CD1-CB 4.39Å; I163-E273 HydrophobicContact CD1-CG 3.88Å; I163-V275 HydrophobicContact CG2-CG1 4.5Å; I163-V276 HydrophobicContact CG2-CG1 3.4Å
164	V	93.5	Very high	87.3	Confident	16 Å²	16	42.8 Å²	42.8	10%	0.097	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	118.8	176.8	179.5	0	0	0	0	109.8	P133 P162 Y183 A185	P133-V164 HydrophobicContact CB-CB 3.76Å; P133-V164 HydrophobicContact CB-CG1 3.93Å; P133-V164 HydrophobicContact CB-CG2 3.82Å; P133-V164 HydrophobicContact CG-CB 3.94Å; P133-V164 HydrophobicContact CG-CG1 4.33Å; P133-V164 HydrophobicContact CG-CG2 4.41Å; P162-V164 PolarHBondContact O-N 3.17Å; V164-Y183 HydrophobicContact CB-CD2 4.42Å; V164-Y183 HydrophobicContact CG1-CD2 3.98Å; V164-Y183 HydrophobicContact CG1-CG 4.03Å; V164-Y183 HydrophobicContact CG2-CD2 3.72Å; V164-Y183 HydrophobicContact CG2-CE2 3.77Å; V164-Y183 HydrophobicContact CG2-CG 4.29Å; V164-A185 HydrophobicContact CG2-CB 4.3Å
165	L	93.6	Very high	87	Confident	1 Å²	1	48 Å²	48	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-41.6	-176.5	-60	171.5	0	0	0	111	R89 I163 L184 A186 F263 L268 V275 L280	R89-L165 PolarHBondContact NH2-O 3.11Å; I163-L165 HydrophobicContact CG2-CD2 4.28Å; I163-L165 PolarHBondContact O-N 2.86Å; L165-L184 HydrophobicContact CD1-CD2 4.47Å; L165-L184 HydrophobicContact CD1-CG 4.39Å; L165-L184 PolarHBondContact N-O 2.94Å; L165-A186 HydrophobicContact CD1-CB 4.02Å; L165-F263 HydrophobicContact CD1-CE1 4.47Å; L165-F263 HydrophobicContact CD1-CE2 3.77Å; L165-F263 HydrophobicContact CD1-CZ 3.48Å; L165-F263 VanDerWaalsContact CD1-CZ 3.48Å; L165-L268 HydrophobicContact CD1-CD2 4.19Å; L165-L268 HydrophobicContact CD2-CD1 4.24Å; L165-V275 HydrophobicContact CD2-CG1 3.94Å; L165-L280 WeakPolarHBondContact O-CD1 3.23Å
166	H	93.5	Very high	87	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	118.1	-176.3	172.1	62.5	0	0	0	110.4	H131 Y183 L184 Y243 V244 L280 F284	H131-H166 AromaticContact ND1-CE1 3.41Å; H131-H166 PolarHBondContact ND1-CE1 2.86Å; H131-H166 AromaticContact ND1-ND1 3.73Å; H166-Y183 CarbonylContact O-C 3.44Å; H166-Y183 WeakPolarHBondContact O-CA 3.47Å; H166-Y183 WeakPolarHBondContact O-CB 3.47Å; H166-L184 HydrophobicContact CB-CB 4.32Å; H166-L184 PolarHBondContact N-O 3.44Å; H166-L184 PolarHBondContact O-N 3.4Å; H166-Y243 AromaticContact CE1-CD2 3.53Å; H166-Y243 AromaticContact CE1-CE2 3.07Å; H166-Y243 WeakPolarHBondContact CE1-CE2 3.1Å; H166-Y243 AromaticContact CE1-CZ 3.84Å; H166-Y243 AromaticContact ND1-CD2 4Å; H166-Y243 AromaticContact ND1-CE2 3.67Å; H166-Y243 AromaticContact NE2-CD2 3.65Å; H166-Y243 AromaticContact NE2-CE2 3.62Å; H166-V244 PolarHBondContact NE2-O 3.17Å; H166-L280 HydrophobicContact CB-CD1 3.93Å; H166-F284 HydrophobicContact CB-CE2 4.17Å; H166-F284 HydrophobicContact CB-CZ 3.88Å
167	D	94.3	Very high	87.1	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	142.1	166.5	-157.9	-37.1	0	0	0	109.4	H131 G132 A169 K171 Y200 K209	H131-D167 WeakPolarHBondContact CA-O 3.45Å; H131-D167 PolarHBondContact ND1-O 3Å; H131-D167 PolarHBondContact O-N 3.36Å; G132-D167 WeakPolarHBondContact O-CB 3.27Å; D167-A169 PolarHBondContact O-N 3.21Å; D167-K171 IonicContact OD1-NZ 2.69Å; D167-Y200 VanDerWaalsContact CG-OH 3.23Å; D167-Y200 PolarHBondContact OD1-OH 2.87Å; D167-Y200 PolarHBondContact OD2-OH 2.95Å; D167-K209 IonicContact OD2-NZ 3.34Å; D167-K209 PolarHBondContact OD2-NZ 2.98Å
168	T	91.7	Very high	87.8	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.204	C	C	.	.			trans	-58.2	126.8	173.8	40.4	0	0	0	0	111.3	K171 T182 V244	T168-K171 PolarHBondContact O-NZ 3.2Å; T168-T182 HydrophobicContact CG2-CG2 3.42Å; T168-T182 VanDerWaalsContact CG2-CG2 3.42Å; T168-T182 PolarHBondContact N-O 2.92Å; T168-T182 PolarHBondContact OG1-N 3.4Å; T168-T182 VanDerWaalsContact OG1-N 3.11Å; T168-T182 PolarHBondContact OG1-O 3.31Å; T168-V244 HydrophobicContact CG2-CB 4.01Å; T168-V244 HydrophobicContact CG2-CG1 3.63Å; T168-V244 VanDerWaalsContact CG2-O 3.3Å; T168-V244 WeakPolarHBondContact CG2-O 2.99Å
169	A	81.2	Confident	88.3	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-66.7	-48.2	171.1	0	0	0	0	0	110.4	M117 Y129 H131 D167 K171	M117-A169 HydrophobicContact CB-CB 4.14Å; M117-A169 HydrophobicContact CE-CB 4.5Å; Y129-A169 WeakPolarHBondContact CE2-O 3.22Å; H131-A169 VanDerWaalsContact CE1-CB 3.46Å; H131-A169 WeakPolarHBondContact CE1-CB 3.36Å; D167-A169 PolarHBondContact O-N 3.21Å; A169-K171 PolarHBondContact O-N 3.17Å; A169-K171 VanDerWaalsContact O-N 3.16Å
170	Y	84.3	Confident	88.9	Confident	27 Å²	27	32 Å²	32	11%	0.106	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-90.2	87.4	-175.9	-73	-87.5	0	0	0	112.2	H245 S246 I247 S554 G555	Y170-H245 WeakPolarHBondContact CB-O 3.36Å; Y170-H245 AromaticContact CD2-CD2 3.66Å; Y170-H245 AromaticContact CD2-CE1 3.41Å; Y170-H245 VanDerWaalsContact CD2-CE1 3.41Å; Y170-H245 WeakPolarHBondContact CD2-CE1 3.43Å; Y170-H245 AromaticContact CD2-ND1 3.96Å; Y170-H245 AromaticContact CD2-NE2 3.21Å; Y170-H245 WeakPolarHBondContact CD2-NE2 3.49Å; Y170-H245 AromaticContact CE2-CD2 3.94Å; Y170-H245 AromaticContact CE2-CE1 3.35Å; Y170-H245 WeakPolarHBondContact CE2-CE1 3.37Å; Y170-H245 AromaticContact CE2-NE2 3.06Å; Y170-H245 WeakPolarHBondContact CE2-NE2 3.34Å; Y170-H245 PolarHBondContact N-O 3.07Å; Y170-H245 VanDerWaalsContact N-O 3.14Å; Y170-S246 WeakPolarHBondContact O-CA 3.38Å; Y170-I247 WeakPolarHBondContact O-CG2 3.29Å; Y170-I247 PolarHBondContact O-N 3.02Å; Y170-S554 VanDerWaalsContact CZ-C 3.48Å; Y170-S554 WeakPolarHBondContact OH-CA 3.18Å; Y170-S554 WeakPolarHBondContact OH-CB 3.46Å; Y170-S554 PolarHBondContact OH-O 3.36Å; Y170-G555 VanDerWaalsContact CE1-CA 3.45Å; Y170-G555 PolarHBondContact OH-N 3.27Å
171	K	90.6	Very high	89.5	Confident	9 Å²	9	25.3 Å²	25.3	4%	0.039	13%	0.13	C	C	.	.			trans	-77.7	155.5	170.8	-63.1	170.5	-165.8	62.5	0	109.7	Y129 F135 D167 T168 A169 L179 W180 Y200 M556	Y129-K171 HydrophobicContact CD1-CD 4.21Å; Y129-K171 HydrophobicContact CD2-CD 4.24Å; Y129-K171 HydrophobicContact CE1-CD 3.84Å; Y129-K171 HydrophobicContact CE2-CD 3.83Å; Y129-K171 HydrophobicContact CE2-CG 4.29Å; Y129-K171 VanDerWaalsContact CE2-NZ 3.31Å; Y129-K171 HydrophobicContact CG-CD 4.4Å; Y129-K171 VanDerWaalsContact CG-NZ 3.35Å; F135-K171 HydrophobicContact CE2-CD 4.18Å; F135-K171 HydrophobicContact CZ-CD 3.97Å; D167-K171 IonicContact OD1-NZ 2.69Å; T168-K171 PolarHBondContact O-NZ 3.2Å; A169-K171 PolarHBondContact O-N 3.17Å; A169-K171 VanDerWaalsContact O-N 3.16Å; K171-L179 HydrophobicContact CB-CD1 3.49Å; K171-L179 VanDerWaalsContact CB-CD1 3.49Å; K171-L179 HydrophobicContact CB-CG 4.04Å; K171-L179 HydrophobicContact CD-CD1 4.36Å; K171-L179 HydrophobicContact CD-CD2 3.86Å; K171-L179 HydrophobicContact CD-CG 4.12Å; K171-W180 WeakPolarHBondContact CA-O 3.47Å; K171-W180 WeakPolarHBondContact CB-O 3.39Å; K171-Y200 WeakPolarHBondContact CE-OH 3.39Å; K171-M556 WeakPolarHBondContact O-CE 3.39Å
172	T	89.9	Confident	89.8	Confident	22 Å²	22	22.5 Å²	22.5	14%	0.135	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	140.3	177.2	-169.7	0	0	0	0	110.4	W180 I247 V249	T172-W180 HydrophobicContact CG2-CB 3.97Å; T172-W180 PolarHBondContact N-O 3.42Å; T172-W180 VanDerWaalsContact N-O 3.12Å; T172-W180 PolarHBondContact O-N 2.69Å; T172-I247 WeakPolarHBondContact CB-O 3.48Å; T172-I247 HydrophobicContact CG2-CG2 4.07Å; T172-V249 HydrophobicContact CG2-CB 3.81Å; T172-V249 HydrophobicContact CG2-CG2 3.56Å
173	M	87.5	Confident	90	Very high	38 Å²	38	22.5 Å²	22.5	19%	0.187	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	124.6	177.4	-173.5	166.7	54.2	0	0	108.8	T178 L401	M173-T178 WeakPolarHBondContact CA-O 3.43Å; M173-L401 WeakPolarHBondContact O-CD2 3.39Å
174	D	85.5	Confident	90	Very high	35 Å²	35	22.3 Å²	22.3	19%	0.187	11%	0.111	C	C	.	.			trans	-78.1	174.1	174.8	70.7	25.1	0	0	0	112.1	N176 G177 T178 W180	D174-N176 PolarHBondContact O-N 2.96Å; D174-N176 VanDerWaalsContact O-N 3.07Å; D174-N176 WeakPolarHBondContact OD1-CA 3.48Å; D174-N176 WeakPolarHBondContact OD1-CB 3.43Å; D174-N176 PolarHBondContact OD1-N 3.2Å; D174-G177 PolarHBondContact O-N 2.66Å; D174-G177 PolarHBondContact OD1-N 2.84Å; D174-T178 PolarHBondContact N-O 2.98Å; D174-T178 WeakPolarHBondContact OD1-CB 3.46Å; D174-T178 PolarHBondContact OD1-N 3.25Å; D174-T178 WeakPolarHBondContact OD2-CB 3.38Å; D174-W180 PolarHBondContact OD2-NE1 2.87Å
175	K	80.3	Confident	90.1	Very high	144 Å²	144	21.5 Å²	21.5	63%	0.626	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-22.4	-178	-65.8	179.4	-178.7	171.6	0	113.8	G177	K175-G177 VanDerWaalsContact C-N 3.29Å
176	N	82.5	Confident	90.2	Very high	99 Å²	99	21.5 Å²	21.5	53%	0.529	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-0.6	179	-62.6	-24.4	0	0	0	112.1	D174 T178	D174-N176 PolarHBondContact O-N 2.96Å; D174-N176 VanDerWaalsContact O-N 3.07Å; D174-N176 WeakPolarHBondContact OD1-CA 3.48Å; D174-N176 WeakPolarHBondContact OD1-CB 3.43Å; D174-N176 PolarHBondContact OD1-N 3.2Å; N176-T178 VanDerWaalsContact C-N 3.33Å
177	G	83.7	Confident	90.3	Very high	14 Å²	14	27.3 Å²	27.3	14%	0.144	13%	0.128	C	C	.	.	S	Bend	trans	79.4	16.1	-175.4	0	0	0	0	0	113.3	D174 K175	D174-G177 PolarHBondContact O-N 2.66Å; D174-G177 PolarHBondContact OD1-N 2.84Å; K175-G177 VanDerWaalsContact C-N 3.29Å
178	T	90.9	Very high	90.2	Very high	15 Å²	15	29.8 Å²	29.8	9%	0.092	14%	0.141	C	C	.	.			trans	-80.2	125.5	173.3	-54.2	0	0	0	0	108.8	M173 D174 N176 W180 K201 E203	M173-T178 WeakPolarHBondContact CA-O 3.43Å; D174-T178 PolarHBondContact N-O 2.98Å; D174-T178 WeakPolarHBondContact OD1-CB 3.46Å; D174-T178 PolarHBondContact OD1-N 3.25Å; D174-T178 WeakPolarHBondContact OD2-CB 3.38Å; N176-T178 VanDerWaalsContact C-N 3.33Å; T178-W180 HydrophobicContact CG2-CZ2 4.3Å; T178-W180 VanDerWaalsContact O-CD1 3.23Å; T178-K201 HydrophobicContact CG2-CB 3.69Å; T178-K201 HydrophobicContact CG2-CD 4.02Å; T178-K201 HydrophobicContact CG2-CG 4.32Å; T178-E203 HydrophobicContact CG2-CG 4.23Å
179	L	92.5	Very high	90.3	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.021	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	128.7	176.8	-175.9	66	0	0	0	110	S120 L127 Y129 F135 K171 K201 V202	S120-L179 WeakPolarHBondContact OG-CD1 3.49Å; L127-L179 HydrophobicContact CD1-CD2 4.5Å; Y129-L179 HydrophobicContact CE1-CD2 3.99Å; F135-L179 HydrophobicContact CE2-CD2 4.2Å; K171-L179 HydrophobicContact CB-CD1 3.49Å; K171-L179 VanDerWaalsContact CB-CD1 3.49Å; K171-L179 HydrophobicContact CB-CG 4.04Å; K171-L179 HydrophobicContact CD-CD1 4.36Å; K171-L179 HydrophobicContact CD-CD2 3.86Å; K171-L179 HydrophobicContact CD-CG 4.12Å; L179-K201 CarbonylContact O-C 3.52Å; L179-K201 WeakPolarHBondContact O-CA 3.39Å; L179-V202 HydrophobicContact CB-CB 4.28Å; L179-V202 PolarHBondContact N-O 3.26Å; L179-V202 PolarHBondContact O-N 2.79Å
180	W	94	Very high	90.7	Very high	21 Å²	21	41 Å²	41	8%	0.08	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	138.9	179.9	-63.5	84.7	0	0	0	110.7	K171 T172 D174 T178 Y200 K201 V212 I247 V249 I254	K171-W180 WeakPolarHBondContact CA-O 3.47Å; K171-W180 WeakPolarHBondContact CB-O 3.39Å; T172-W180 HydrophobicContact CG2-CB 3.97Å; T172-W180 PolarHBondContact N-O 3.42Å; T172-W180 VanDerWaalsContact N-O 3.12Å; T172-W180 PolarHBondContact O-N 2.69Å; D174-W180 PolarHBondContact OD2-NE1 2.87Å; T178-W180 HydrophobicContact CG2-CZ2 4.3Å; T178-W180 VanDerWaalsContact O-CD1 3.23Å; W180-Y200 WeakPolarHBondContact CA-O 3.47Å; W180-K201 HydrophobicContact CD2-CB 4Å; W180-K201 HydrophobicContact CE3-CB 3.91Å; W180-K201 HydrophobicContact CH2-CB 4.25Å; W180-K201 HydrophobicContact CH2-CD 4.01Å; W180-K201 HydrophobicContact CZ2-CB 4.32Å; W180-K201 HydrophobicContact CZ2-CD 4.18Å; W180-K201 HydrophobicContact CZ3-CB 4.04Å; W180-K201 HydrophobicContact CZ3-CD 4.48Å; W180-V212 HydrophobicContact CE3-CG2 4.42Å; W180-V212 HydrophobicContact CH2-CG1 4.4Å; W180-V212 HydrophobicContact CZ3-CB 4.38Å; W180-V212 HydrophobicContact CZ3-CG1 3.96Å; W180-V212 HydrophobicContact CZ3-CG2 3.87Å; W180-I247 HydrophobicContact CB-CD1 4.45Å; W180-I247 WeakPolarHBondContact O-CG2 3.11Å; W180-V249 HydrophobicContact CB-CG2 3.74Å; W180-V249 HydrophobicContact CD2-CG1 4.47Å; W180-V249 HydrophobicContact CD2-CG2 4.05Å; W180-V249 HydrophobicContact CG-CB 4.49Å; W180-V249 HydrophobicContact CG-CG1 4.49Å; W180-V249 HydrophobicContact CG-CG2 3.7Å; W180-I254 HydrophobicContact CE3-CD1 3.98Å; W180-I254 HydrophobicContact CZ3-CD1 3.66Å; W180-I254 HydrophobicContact CZ3-CG1 4.44Å
181	G	94.8	Very high	91.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	171.1	178.4	0	0	0	0	0	112.3	Y200	G181-Y200 PolarHBondContact N-O 3.21Å; G181-Y200 VanDerWaalsContact O-CD1 3.32Å; G181-Y200 WeakPolarHBondContact O-CD1 3.08Å; G181-Y200 PolarHBondContact O-N 3.17Å
182	T	95.3	Very high	91.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	146.3	171.7	-179.7	0	0	0	0	111.1	T168 R197 Y198 V244 L256	T168-T182 HydrophobicContact CG2-CG2 3.42Å; T168-T182 VanDerWaalsContact CG2-CG2 3.42Å; T168-T182 PolarHBondContact N-O 2.92Å; T168-T182 PolarHBondContact OG1-N 3.4Å; T168-T182 VanDerWaalsContact OG1-N 3.11Å; T168-T182 PolarHBondContact OG1-O 3.31Å; T182-R197 VanDerWaalsContact OG1-CG 3.31Å; T182-R197 WeakPolarHBondContact OG1-CG 3.43Å; T182-Y198 CarbonylContact C-O 3.6Å; T182-Y198 WeakPolarHBondContact CA-O 2.79Å; T182-Y198 VanDerWaalsContact CB-O 3.32Å; T182-Y198 WeakPolarHBondContact CB-O 3.4Å; T182-Y198 PolarHBondContact OG1-O 2.89Å; T182-V244 HydrophobicContact CG2-CB 4.41Å; T182-V244 HydrophobicContact CG2-CG1 3.96Å; T182-L256 HydrophobicContact CG2-CD1 4.22Å; T182-L256 HydrophobicContact CG2-CD2 3.79Å
183	Y	95.6	Very high	91.8	Very high	23 Å²	23	45.2 Å²	45.2	9%	0.09	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	144.5	171.9	65.5	-104.6	0	0	0	112	V164 H166 A185 R197 Y198 Y200 K209 I211	V164-Y183 HydrophobicContact CB-CD2 4.42Å; V164-Y183 HydrophobicContact CG1-CD2 3.98Å; V164-Y183 HydrophobicContact CG1-CG 4.03Å; V164-Y183 HydrophobicContact CG2-CD2 3.72Å; V164-Y183 HydrophobicContact CG2-CE2 3.77Å; V164-Y183 HydrophobicContact CG2-CG 4.29Å; H166-Y183 CarbonylContact O-C 3.44Å; H166-Y183 WeakPolarHBondContact O-CA 3.47Å; H166-Y183 WeakPolarHBondContact O-CB 3.47Å; Y183-A185 HydrophobicContact CD2-CB 3.81Å; Y183-A185 HydrophobicContact CE2-CB 3.76Å; Y183-R197 WeakPolarHBondContact O-CA 3.15Å; Y183-Y198 AromaticContact CD2-CD2 3.89Å; Y183-Y198 HydrophobicContact CD2-CD2 3.89Å; Y183-Y198 HydrophobicContact CD2-CG 4.19Å; Y183-Y198 HydrophobicContact CE1-CG 4.34Å; Y183-Y198 VanDerWaalsContact CE2-CB 3.45Å; Y183-Y198 HydrophobicContact CE2-CD1 4.25Å; Y183-Y198 AromaticContact CE2-CD2 3.21Å; Y183-Y198 HydrophobicContact CE2-CD2 3.21Å; Y183-Y198 AromaticContact CE2-CE2 3.99Å; Y183-Y198 HydrophobicContact CE2-CE2 3.99Å; Y183-Y198 AromaticContact CE2-CG 3.37Å; Y183-Y198 HydrophobicContact CE2-CG 3.37Å; Y183-Y198 AromaticContact CZ-CD1 4Å; Y183-Y198 AromaticContact CZ-CD2 3.81Å; Y183-Y198 AromaticContact CZ-CG 3.45Å; Y183-Y198 VanDerWaalsContact CZ-CG 3.45Å; Y183-Y198 PolarHBondContact N-O 3.29Å; Y183-Y198 PolarHBondContact O-N 2.96Å; Y183-Y198 WeakPolarHBondContact OH-CD1 3.5Å; Y183-Y200 AromaticContact CD1-CD1 3.5Å; Y183-Y200 HydrophobicContact CD1-CD1 3.5Å; Y183-Y200 AromaticContact CD1-CE1 3.52Å; Y183-Y200 HydrophobicContact CD1-CE1 3.52Å; Y183-Y200 AromaticContact CE1-CD1 3.76Å; Y183-Y200 HydrophobicContact CE1-CD1 3.76Å; Y183-Y200 HydrophobicContact CE1-CE1 4.2Å; Y183-Y200 HydrophobicContact CG-CE1 4.5Å; Y183-K209 HydrophobicContact CD1-CD 4.48Å; Y183-K209 HydrophobicContact CE1-CD 4.01Å; Y183-I211 HydrophobicContact CE1-CD1 4.06Å; Y183-I211 WeakPolarHBondContact OH-CD1 3.38Å
184	L	95.4	Very high	92.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	130.7	167.2	-174.2	67.4	0	0	0	108.5	L165 H166 I195 E241 F263 F284	L165-L184 HydrophobicContact CD1-CD2 4.47Å; L165-L184 HydrophobicContact CD1-CG 4.39Å; L165-L184 PolarHBondContact N-O 2.94Å; H166-L184 HydrophobicContact CB-CB 4.32Å; H166-L184 PolarHBondContact N-O 3.44Å; H166-L184 PolarHBondContact O-N 3.4Å; L184-I195 HydrophobicContact CD1-CG2 3.61Å; L184-I195 HydrophobicContact CG-CG2 4.38Å; L184-E241 HydrophobicContact CD1-CB 4.11Å; L184-E241 HydrophobicContact CD1-CG 3.8Å; L184-F263 HydrophobicContact CD2-CB 4.31Å; L184-F263 HydrophobicContact CD2-CD1 4.17Å; L184-F263 HydrophobicContact CD2-CD2 3.57Å; L184-F263 HydrophobicContact CD2-CE1 4.4Å; L184-F263 HydrophobicContact CD2-CE2 3.87Å; L184-F263 HydrophobicContact CD2-CG 3.74Å; L184-F263 HydrophobicContact CD2-CZ 4.27Å; L184-F284 HydrophobicContact CD2-CZ 4.48Å
185	A	95.4	Very high	92.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	163.6	178.9	0	0	0	0	0	111.8	P162 I163 V164 Y183 L196 Y198	P162-A185 HydrophobicContact CB-CB 3.78Å; I163-A185 CarbonylContact O-C 3.5Å; I163-A185 WeakPolarHBondContact O-CA 3.36Å; I163-A185 VanDerWaalsContact O-CB 3.3Å; I163-A185 WeakPolarHBondContact O-CB 3.26Å; V164-A185 HydrophobicContact CG2-CB 4.3Å; Y183-A185 HydrophobicContact CD2-CB 3.81Å; Y183-A185 HydrophobicContact CE2-CB 3.76Å; A185-L196 PolarHBondContact N-O 3.32Å; A185-L196 PolarHBondContact O-N 3.36Å; A185-L196 VanDerWaalsContact O-O 3.07Å; A185-Y198 HydrophobicContact CB-CD2 4.06Å; A185-Y198 HydrophobicContact CB-CE2 3.92Å
186	A	95.7	Very high	93.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	144.5	176.7	0	0	0	0	0	112.1	P162 I163 L165 D194 I195 L268	P162-A186 CarbonylContact C-O 3.52Å; P162-A186 WeakPolarHBondContact CA-O 3.4Å; I163-A186 PolarHBondContact N-O 3.07Å; I163-A186 PolarHBondContact O-N 3Å; L165-A186 HydrophobicContact CD1-CB 4.02Å; A186-D194 CarbonylContact C-O 3.53Å; A186-D194 VanDerWaalsContact CA-O 3.23Å; A186-D194 WeakPolarHBondContact CA-O 3.46Å; A186-I195 HydrophobicContact CB-CD1 3.88Å; A186-L268 HydrophobicContact CB-CD1 4.2Å; A186-L268 HydrophobicContact CB-CD2 3.44Å; A186-L268 VanDerWaalsContact CB-CD2 3.44Å; A186-L268 HydrophobicContact CB-CG 4.46Å
187	R	94.9	Very high	94	Very high	122 Å²	122	32.7 Å²	32.7	46%	0.46	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	112.3	161.9	-69.8	-179.2	169.6	-167.9	-8.6	108.3	P162 A193 D194 L196	P162-R187 HydrophobicContact CB-CG 4.3Å; P162-R187 HydrophobicContact CG-CG 4.19Å; R187-A193 WeakPolarHBondContact O-CA 3.49Å; R187-D194 HydrophobicContact CB-CB 4.32Å; R187-D194 PolarHBondContact N-O 3.28Å; R187-D194 PolarHBondContact O-N 2.91Å; R187-L196 HydrophobicContact CG-CD1 4.2Å
188	L	93	Very high	94.5	Very high	52 Å²	52	32.4 Å²	32.4	27%	0.272	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	129.6	-174.3	-154.6	86.6	0	0	0	110.7	I163 L190 A193 L268	I163-L188 HydrophobicContact CD1-CB 4.04Å; I163-L188 HydrophobicContact CD1-CD1 4.41Å; L188-L190 HydrophobicContact CD1-CD2 4.22Å; L188-L190 HydrophobicContact CD2-CD1 4.06Å; L188-L190 HydrophobicContact CD2-CD2 4.39Å; L188-L190 HydrophobicContact CD2-CG 3.84Å; L188-L190 HydrophobicContact CG-CD2 4.24Å; L188-L190 HydrophobicContact CG-CG 4.02Å; L188-A193 HydrophobicContact CD1-CB 4.5Å; L188-L268 HydrophobicContact CD1-CD1 3.54Å; L188-L268 HydrophobicContact CD1-CG 4.07Å
189	R	92.6	Very high	94.7	Very high	138 Å²	138	31.7 Å²	31.7	52%	0.521	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	64.9	172.3	-65.4	-174.1	-59.4	-163	-2.5	108.8	E192 D194	R189-E192 CarbonylContact C-O 2.95Å; R189-E192 WeakPolarHBondContact CA-O 3.25Å; R189-E192 PolarHBondContact N-O 2.93Å; R189-E192 CarbonylContact O-C 3.46Å; R189-E192 WeakPolarHBondContact O-CA 3.21Å; R189-E192 WeakPolarHBondContact O-CB 3.23Å; R189-E192 PolarHBondContact O-N 3.35Å; R189-D194 IonicContact CZ-OD1 2.82Å; R189-D194 IonicContact CZ-OD2 3.39Å; R189-D194 IonicContact NE-OD2 3.9Å; R189-D194 IonicContact NH1-OD2 3.21Å; R189-D194 IonicContact NH2-OD1 3.28Å; R189-D194 PolarHBondContact NH2-OD1 2.94Å; R189-D194 IonicContact NH2-OD2 2.73Å; R189-D194 PolarHBondContact NH2-OD2 3.02Å
190	L	91.2	Very high	94.8	Very high	98 Å²	98	31.5 Å²	31.5	51%	0.513	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	137.1	-170.7	-69.8	177.1	0	0	0	112.1	L188 E192 L269	L188-L190 HydrophobicContact CD1-CD2 4.22Å; L188-L190 HydrophobicContact CD2-CD1 4.06Å; L188-L190 HydrophobicContact CD2-CD2 4.39Å; L188-L190 HydrophobicContact CD2-CG 3.84Å; L188-L190 HydrophobicContact CG-CD2 4.24Å; L188-L190 HydrophobicContact CG-CG 4.02Å; L190-E192 VanDerWaalsContact C-N 3.27Å; L190-E192 VanDerWaalsContact CA-N 3.29Å; L190-E192 PolarHBondContact N-O 3.37Å; L190-L269 WeakPolarHBondContact CD2-O 3.43Å
191	P	95.5	Very high	94.7	Very high	71 Å²	71	32.9 Å²	32.9	46%	0.461	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	cis	-83.1	14.5	9	36.2	-37.6	0	0	0	114.6	A222	P191-A222 HydrophobicContact CB-CB 4.03Å; P191-A222 WeakPolarHBondContact O-CB 3.44Å; P191-A222 PolarHBondContact O-N 3.11Å
192	E	96.4	Very high	94.6	Very high	76 Å²	76	32.9 Å²	32.9	36%	0.355	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	162.2	-179.2	-61.3	-177.1	162	0	0	112.8	R189 L190 T219 V220 N221	R189-E192 CarbonylContact C-O 2.95Å; R189-E192 WeakPolarHBondContact CA-O 3.25Å; R189-E192 PolarHBondContact N-O 2.93Å; R189-E192 CarbonylContact O-C 3.46Å; R189-E192 WeakPolarHBondContact O-CA 3.21Å; R189-E192 WeakPolarHBondContact O-CB 3.23Å; R189-E192 PolarHBondContact O-N 3.35Å; L190-E192 VanDerWaalsContact C-N 3.27Å; L190-E192 VanDerWaalsContact CA-N 3.29Å; L190-E192 PolarHBondContact N-O 3.37Å; E192-T219 HydrophobicContact CB-CG2 3.99Å; E192-T219 HydrophobicContact CG-CG2 4.44Å; E192-V220 CarbonylContact C-O 3.54Å; E192-V220 WeakPolarHBondContact CA-O 3.32Å; E192-N221 HydrophobicContact CG-CB 4.16Å; E192-N221 VanDerWaalsContact CG-ND2 3.32Å; E192-N221 WeakPolarHBondContact CG-ND2 3.34Å; E192-N221 PolarHBondContact OE1-ND2 3.38Å
193	A	95.8	Very high	94.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	137.9	166.3	0	0	0	0	0	109.9	R187 L188 I195 T219 V220 L268 L269	R187-A193 WeakPolarHBondContact O-CA 3.49Å; L188-A193 HydrophobicContact CD1-CB 4.5Å; A193-I195 HydrophobicContact CB-CD1 4.34Å; A193-T219 WeakPolarHBondContact O-CA 3.36Å; A193-V220 HydrophobicContact CB-CG2 4Å; A193-V220 PolarHBondContact N-O 2.89Å; A193-V220 WeakPolarHBondContact O-CG2 3.36Å; A193-V220 PolarHBondContact O-N 3Å; A193-L268 HydrophobicContact CB-CD2 3.99Å; A193-L269 HydrophobicContact CB-CD2 4Å
194	D	95.8	Very high	93.8	Very high	28 Å²	28	38.9 Å²	38.9	15%	0.15	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	125.5	167.7	-62.8	-29.7	0	0	0	108.4	A186 R187 R189 L196 T219	A186-D194 CarbonylContact C-O 3.53Å; A186-D194 VanDerWaalsContact CA-O 3.23Å; A186-D194 WeakPolarHBondContact CA-O 3.46Å; R187-D194 HydrophobicContact CB-CB 4.32Å; R187-D194 PolarHBondContact N-O 3.28Å; R187-D194 PolarHBondContact O-N 2.91Å; R189-D194 IonicContact CZ-OD1 2.82Å; R189-D194 IonicContact CZ-OD2 3.39Å; R189-D194 IonicContact NE-OD2 3.9Å; R189-D194 IonicContact NH1-OD2 3.21Å; R189-D194 IonicContact NH2-OD1 3.28Å; R189-D194 PolarHBondContact NH2-OD1 2.94Å; R189-D194 IonicContact NH2-OD2 2.73Å; R189-D194 PolarHBondContact NH2-OD2 3.02Å; D194-L196 HydrophobicContact CB-CD1 3.94Å; D194-L196 WeakPolarHBondContact O-CD1 3.13Å; D194-T219 WeakPolarHBondContact OD1-CG2 3.46Å; D194-T219 PolarHBondContact OD1-OG1 2.83Å
195	I	95.9	Very high	93.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	127.2	177.2	-53	-56	0	0	0	108.6	L184 A186 A193 A217 G218 V220 M239 E241 F263 L268	L184-I195 HydrophobicContact CD1-CG2 3.61Å; L184-I195 HydrophobicContact CG-CG2 4.38Å; A186-I195 HydrophobicContact CB-CD1 3.88Å; A193-I195 HydrophobicContact CB-CD1 4.34Å; I195-A217 HydrophobicContact CB-CB 4.06Å; I195-A217 HydrophobicContact CG2-CB 3.96Å; I195-A217 WeakPolarHBondContact O-CB 3.22Å; I195-A217 PolarHBondContact O-N 2.85Å; I195-G218 PolarHBondContact N-O 2.85Å; I195-V220 HydrophobicContact CD1-CG2 3.92Å; I195-V220 HydrophobicContact CG1-CG1 3.97Å; I195-V220 HydrophobicContact CG1-CG2 3.79Å; I195-M239 HydrophobicContact CB-CE 4.15Å; I195-M239 HydrophobicContact CG1-CE 4.12Å; I195-M239 HydrophobicContact CG2-CE 3.91Å; I195-E241 HydrophobicContact CG2-CG 4.13Å; I195-F263 HydrophobicContact CD1-CE1 3.99Å; I195-F263 HydrophobicContact CD1-CZ 4.4Å; I195-F263 HydrophobicContact CG1-CE1 4.26Å; I195-F263 HydrophobicContact CG2-CE1 4.28Å; I195-L268 HydrophobicContact CD1-CD2 3.8Å
196	L	95.2	Very high	92.6	Very high	23 Å²	23	43.8 Å²	43.8	12%	0.12	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	140.6	-178.5	-57.5	99.4	0	0	0	110.9	A185 R187 D194 Y198 I215	A185-L196 PolarHBondContact N-O 3.32Å; A185-L196 PolarHBondContact O-N 3.36Å; A185-L196 VanDerWaalsContact O-O 3.07Å; R187-L196 HydrophobicContact CG-CD1 4.2Å; D194-L196 HydrophobicContact CB-CD1 3.94Å; D194-L196 WeakPolarHBondContact O-CD1 3.13Å; L196-Y198 HydrophobicContact CB-CD2 4.22Å; L196-Y198 HydrophobicContact CB-CE2 3.59Å; L196-I215 CarbonylContact C-O 3.59Å; L196-I215 WeakPolarHBondContact CA-O 3.11Å
197	R	94.8	Very high	92	Very high	2 Å²	2	49 Å²	49	1%	0.008	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	127.5	167.4	179.7	171.2	-63.2	-80.6	2.1	110.1	T182 Y183 I215 E241 G242 V244 M258	T182-R197 VanDerWaalsContact OG1-CG 3.31Å; T182-R197 WeakPolarHBondContact OG1-CG 3.43Å; Y183-R197 WeakPolarHBondContact O-CA 3.15Å; R197-I215 HydrophobicContact CB-CB 4.26Å; R197-I215 PolarHBondContact N-O 2.77Å; R197-I215 PolarHBondContact O-N 3.33Å; R197-E241 WeakPolarHBondContact CB-OE1 3.08Å; R197-E241 IonicContact CZ-OE2 3.68Å; R197-E241 IonicContact NE-OE1 2.6Å; R197-E241 PolarHBondContact NE-OE1 3.24Å; R197-E241 IonicContact NE-OE2 2.71Å; R197-E241 PolarHBondContact NE-OE2 2Å; R197-E241 IonicContact NH2-OE2 2.61Å; R197-E241 PolarHBondContact NH2-OE2 3.33Å; R197-G242 PolarHBondContact NH2-O 2.83Å; R197-V244 VanDerWaalsContact NH1-CG2 3.33Å; R197-M258 PolarHBondContact NH2-SD 2.88Å
198	Y	94.5	Very high	91.5	Very high	8 Å²	8	49.4 Å²	49.4	3%	0.031	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	136	177	-67.7	-102.6	0	0	0	108.7	P162 T182 Y183 A185 L196 I211 A213 K214	P162-Y198 HydrophobicContact CB-CE2 4.35Å; P162-Y198 HydrophobicContact CG-CE2 4.29Å; P162-Y198 WeakPolarHBondContact CG-OH 3.37Å; T182-Y198 CarbonylContact C-O 3.6Å; T182-Y198 WeakPolarHBondContact CA-O 2.79Å; T182-Y198 VanDerWaalsContact CB-O 3.32Å; T182-Y198 WeakPolarHBondContact CB-O 3.4Å; T182-Y198 PolarHBondContact OG1-O 2.89Å; Y183-Y198 AromaticContact CD2-CD2 3.89Å; Y183-Y198 HydrophobicContact CD2-CD2 3.89Å; Y183-Y198 HydrophobicContact CD2-CG 4.19Å; Y183-Y198 HydrophobicContact CE1-CG 4.34Å; Y183-Y198 VanDerWaalsContact CE2-CB 3.45Å; Y183-Y198 HydrophobicContact CE2-CD1 4.25Å; Y183-Y198 AromaticContact CE2-CD2 3.21Å; Y183-Y198 HydrophobicContact CE2-CD2 3.21Å; Y183-Y198 AromaticContact CE2-CE2 3.99Å; Y183-Y198 HydrophobicContact CE2-CE2 3.99Å; Y183-Y198 AromaticContact CE2-CG 3.37Å; Y183-Y198 HydrophobicContact CE2-CG 3.37Å; Y183-Y198 AromaticContact CZ-CD1 4Å; Y183-Y198 AromaticContact CZ-CD2 3.81Å; Y183-Y198 AromaticContact CZ-CG 3.45Å; Y183-Y198 VanDerWaalsContact CZ-CG 3.45Å; Y183-Y198 PolarHBondContact N-O 3.29Å; Y183-Y198 PolarHBondContact O-N 2.96Å; Y183-Y198 WeakPolarHBondContact OH-CD1 3.5Å; A185-Y198 HydrophobicContact CB-CD2 4.06Å; A185-Y198 HydrophobicContact CB-CE2 3.92Å; L196-Y198 HydrophobicContact CB-CD2 4.22Å; L196-Y198 HydrophobicContact CB-CE2 3.59Å; Y198-I211 HydrophobicContact CD1-CD1 4.14Å; Y198-I211 HydrophobicContact CD1-CG1 4.21Å; Y198-I211 HydrophobicContact CD1-CG2 3.73Å; Y198-I211 HydrophobicContact CE1-CG2 4.49Å; Y198-A213 WeakPolarHBondContact CA-O 3.39Å; Y198-K214 HydrophobicContact CD1-CD 4.38Å; Y198-K214 HydrophobicContact CD1-CG 3.83Å; Y198-K214 HydrophobicContact CE1-CD 3.83Å; Y198-K214 HydrophobicContact CE1-CG 3.75Å
199	V	94.5	Very high	91.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	135	165.3	-175	0	0	0	0	107	V212 A213 I247 I254 L256 I299	V199-V212 HydrophobicContact CB-CG2 3.87Å; V199-V212 HydrophobicContact CG1-CG2 3.66Å; V199-V212 WeakPolarHBondContact O-CG2 3.49Å; V199-V212 PolarHBondContact O-N 2.89Å; V199-A213 HydrophobicContact CB-CB 4.07Å; V199-A213 HydrophobicContact CG2-CB 4.33Å; V199-A213 PolarHBondContact N-O 3.49Å; V199-A213 PolarHBondContact O-N 3.47Å; V199-I247 HydrophobicContact CG1-CD1 4.24Å; V199-I254 HydrophobicContact CG1-CD1 4.05Å; V199-I254 HydrophobicContact CG1-CG2 4.15Å; V199-L256 HydrophobicContact CG2-CD1 4.2Å; V199-I299 HydrophobicContact CB-CD1 4.43Å; V199-I299 HydrophobicContact CG2-CD1 3.64Å
200	Y	94.2	Very high	91.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	161.8	-174.5	65.9	-94.8	0	0	0	112	F135 D167 K171 W180 G181 Y183 V202 K209 V210	F135-Y200 HydrophobicContact CZ-CE2 4.12Å; F135-Y200 WeakPolarHBondContact CZ-OH 3.45Å; D167-Y200 VanDerWaalsContact CG-OH 3.23Å; D167-Y200 PolarHBondContact OD1-OH 2.87Å; D167-Y200 PolarHBondContact OD2-OH 2.95Å; K171-Y200 WeakPolarHBondContact CE-OH 3.39Å; W180-Y200 WeakPolarHBondContact CA-O 3.47Å; G181-Y200 PolarHBondContact N-O 3.21Å; G181-Y200 VanDerWaalsContact O-CD1 3.32Å; G181-Y200 WeakPolarHBondContact O-CD1 3.08Å; G181-Y200 PolarHBondContact O-N 3.17Å; Y183-Y200 AromaticContact CD1-CD1 3.5Å; Y183-Y200 HydrophobicContact CD1-CD1 3.5Å; Y183-Y200 AromaticContact CD1-CE1 3.52Å; Y183-Y200 HydrophobicContact CD1-CE1 3.52Å; Y183-Y200 AromaticContact CE1-CD1 3.76Å; Y183-Y200 HydrophobicContact CE1-CD1 3.76Å; Y183-Y200 HydrophobicContact CE1-CE1 4.2Å; Y183-Y200 HydrophobicContact CG-CE1 4.5Å; Y200-V202 HydrophobicContact CD2-CG2 4.27Å; Y200-V202 HydrophobicContact CE2-CG2 4.37Å; Y200-K209 HydrophobicContact CD1-CD 3.9Å; Y200-K209 HydrophobicContact CD1-CG 4.31Å; Y200-K209 HydrophobicContact CD2-CD 3.67Å; Y200-K209 HydrophobicContact CD2-CG 3.42Å; Y200-K209 VanDerWaalsContact CD2-CG 3.42Å; Y200-K209 HydrophobicContact CE1-CD 4.19Å; Y200-K209 HydrophobicContact CE2-CD 3.96Å; Y200-K209 HydrophobicContact CE2-CG 4.12Å; Y200-K209 HydrophobicContact CG-CD 3.62Å; Y200-K209 HydrophobicContact CG-CG 3.52Å; Y200-V210 CarbonylContact C-O 3.6Å; Y200-V210 WeakPolarHBondContact CA-O 3.44Å; Y200-V210 WeakPolarHBondContact CB-O 3.45Å
201	K	93.2	Very high	91.3	Very high	49 Å²	49	42.2 Å²	42.2	21%	0.213	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	152.1	168	67.4	172.7	176.9	160.9	0	111.6	T178 L179 W180 E203 V210 V212	T178-K201 HydrophobicContact CG2-CB 3.69Å; T178-K201 HydrophobicContact CG2-CD 4.02Å; T178-K201 HydrophobicContact CG2-CG 4.32Å; L179-K201 CarbonylContact O-C 3.52Å; L179-K201 WeakPolarHBondContact O-CA 3.39Å; W180-K201 HydrophobicContact CD2-CB 4Å; W180-K201 HydrophobicContact CE3-CB 3.91Å; W180-K201 HydrophobicContact CH2-CB 4.25Å; W180-K201 HydrophobicContact CH2-CD 4.01Å; W180-K201 HydrophobicContact CZ2-CB 4.32Å; W180-K201 HydrophobicContact CZ2-CD 4.18Å; W180-K201 HydrophobicContact CZ3-CB 4.04Å; W180-K201 HydrophobicContact CZ3-CD 4.48Å; K201-E203 HydrophobicContact CD-CG 4.4Å; K201-E203 WeakPolarHBondContact CE-OE1 2.99Å; K201-E203 IonicContact NZ-OE1 2.87Å; K201-E203 PolarHBondContact NZ-OE1 2.76Å; K201-V210 HydrophobicContact CG-CB 3.95Å; K201-V210 PolarHBondContact N-O 2.76Å; K201-V210 PolarHBondContact O-N 3.48Å; K201-V212 HydrophobicContact CB-CG1 4.47Å; K201-V212 HydrophobicContact CD-CG1 4.11Å; K201-V212 HydrophobicContact CG-CG1 3.88Å
202	V	92.1	Very high	91.1	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	110	168.8	-177.2	0	0	0	0	106.6	L127 F154 L179 Y200 C206 K209	L127-V202 HydrophobicContact CD1-CG1 4.15Å; F154-V202 HydrophobicContact CE2-CG1 4.5Å; F154-V202 HydrophobicContact CE2-CG2 3.88Å; F154-V202 HydrophobicContact CZ-CG1 3.94Å; F154-V202 HydrophobicContact CZ-CG2 3.73Å; L179-V202 HydrophobicContact CB-CB 4.28Å; L179-V202 PolarHBondContact N-O 3.26Å; L179-V202 PolarHBondContact O-N 2.79Å; Y200-V202 HydrophobicContact CD2-CG2 4.27Å; Y200-V202 HydrophobicContact CE2-CG2 4.37Å; V202-C206 VanDerWaalsContact CG1-O 3.26Å; V202-C206 WeakPolarHBondContact CG1-O 3.35Å; V202-K209 HydrophobicContact CG2-CB 4.42Å; V202-K209 HydrophobicContact CG2-CG 4.42Å
203	E	90	Very high	90.8	Very high	73 Å²	73	36.8 Å²	36.8	34%	0.341	20%	0.197	S	C	.	.			trans	-71.3	149.8	-179.7	-68.4	176.1	166.1	0	0	110.6	H122 T178 K201 G205 C206	H122-E203 PolarHBondContact CE1-O 3.27Å; H122-E203 VanDerWaalsContact CE1-O 3.22Å; T178-E203 HydrophobicContact CG2-CG 4.23Å; K201-E203 HydrophobicContact CD-CG 4.4Å; K201-E203 WeakPolarHBondContact CE-OE1 2.99Å; K201-E203 IonicContact NZ-OE1 2.87Å; K201-E203 PolarHBondContact NZ-OE1 2.76Å; E203-G205 PolarHBondContact O-N 2.84Å; E203-C206 HydrophobicContact CB-CB 4.1Å; E203-C206 WeakPolarHBondContact O-CB 3.49Å; E203-C206 PolarHBondContact O-N 3.37Å
204	K	84.5	Confident	90.7	Very high	76 Å²	76	43.3 Å²	43.3	33%	0.33	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	124.6	-178.6	-175	-179.4	177.5	-179.6	0	110.5	C206	K204-C206 PolarHBondContact O-N 3.38Å
205	G	81.6	Confident	90.5	Very high	54 Å²	54	42.5 Å²	42.5	56%	0.557	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.8	-1.7	-179	0	0	0	0	0	115	H122 E203	H122-G205 PolarHBondContact CE1-N 2.99Å; H122-G205 WeakPolarHBondContact NE2-CA 3.48Å; H122-G205 PolarHBondContact NE2-N 3.04Å; E203-G205 PolarHBondContact O-N 2.84Å
206	C	83.2	Confident	90.3	Very high	50 Å²	50	46.7 Å²	46.7	34%	0.338	25%	0.25	S	S	.	.			trans	-97.5	128.9	177.5	-60.5	0	0	0	0	112	H122 V202 E203 K204 Q208	H122-C206 PolarHBondContact CE1-N 3.43Å; H122-C206 VanDerWaalsContact CE1-N 3.34Å; H122-C206 PolarHBondContact CE1-O 2.96Å; H122-C206 PolarHBondContact NE2-N 3.23Å; H122-C206 PolarHBondContact NE2-O 2.86Å; V202-C206 VanDerWaalsContact CG1-O 3.26Å; V202-C206 WeakPolarHBondContact CG1-O 3.35Å; E203-C206 HydrophobicContact CB-CB 4.1Å; E203-C206 WeakPolarHBondContact O-CB 3.49Å; E203-C206 PolarHBondContact O-N 3.37Å; K204-C206 PolarHBondContact O-N 3.38Å; C206-Q208 PolarHBondContact O-N 3.23Å
207	Q	82.3	Confident	89.9	Confident	108 Å²	108	46.7 Å²	46.7	51%	0.505	25%	0.254	S	S	.	.			trans	-87.9	33.7	172.6	-65.7	-174.3	-27.1	0	0	112.9	F154	F154-Q207 WeakPolarHBondContact CE1-O 3.14Å
208	Q	85.5	Confident	89.7	Confident	131 Å²	131	48 Å²	48	61%	0.612	27%	0.267	S	S	*	.			trans	-123.7	129.5	178.8	-172	174.5	-9	0	0	111.3	F154 C206 V210	F154-Q208 VanDerWaalsContact CE1-C 3.5Å; C206-Q208 PolarHBondContact O-N 3.23Å; Q208-V210 HydrophobicContact CG-CG2 4.33Å
209	K	88.5	Confident	89.7	Confident	33 Å²	33	51 Å²	51	14%	0.143	29%	0.287	C	S	.	.			trans	-87.4	105.1	171	-169.1	176.7	-71	-174.6	0	107.6	P133 F154 D167 Y183 Y200 V202	P133-K209 PolarHBondContact O-NZ 3.48Å; P133-K209 VanDerWaalsContact O-NZ 3.09Å; F154-K209 HydrophobicContact CD1-CB 3.7Å; F154-K209 HydrophobicContact CE1-CB 3.71Å; F154-K209 HydrophobicContact CG-CB 4.15Å; F154-K209 HydrophobicContact CZ-CB 4.12Å; D167-K209 IonicContact OD2-NZ 3.34Å; D167-K209 PolarHBondContact OD2-NZ 2.98Å; Y183-K209 HydrophobicContact CD1-CD 4.48Å; Y183-K209 HydrophobicContact CE1-CD 4.01Å; Y200-K209 HydrophobicContact CD1-CD 3.9Å; Y200-K209 HydrophobicContact CD1-CG 4.31Å; Y200-K209 HydrophobicContact CD2-CD 3.67Å; Y200-K209 HydrophobicContact CD2-CG 3.42Å; Y200-K209 VanDerWaalsContact CD2-CG 3.42Å; Y200-K209 HydrophobicContact CE1-CD 4.19Å; Y200-K209 HydrophobicContact CE2-CD 3.96Å; Y200-K209 HydrophobicContact CE2-CG 4.12Å; Y200-K209 HydrophobicContact CG-CD 3.62Å; Y200-K209 HydrophobicContact CG-CG 3.52Å; V202-K209 HydrophobicContact CG2-CB 4.42Å; V202-K209 HydrophobicContact CG2-CG 4.42Å
210	V	91.5	Very high	89.8	Confident	48 Å²	48	51.3 Å²	51.3	29%	0.291	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	117.1	178.3	-179.1	0	0	0	0	108.8	Y200 K201 Q208 V212	Y200-V210 CarbonylContact C-O 3.6Å; Y200-V210 WeakPolarHBondContact CA-O 3.44Å; Y200-V210 WeakPolarHBondContact CB-O 3.45Å; K201-V210 HydrophobicContact CG-CB 3.95Å; K201-V210 PolarHBondContact N-O 2.76Å; K201-V210 PolarHBondContact O-N 3.48Å; Q208-V210 HydrophobicContact CG-CG2 4.33Å; V210-V212 PolarHBondContact O-N 3.3Å
211	I	92.1	Very high	89.9	Confident	57 Å²	57	52.9 Å²	52.9	29%	0.292	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	119.6	174.6	-54.9	-50.2	0	0	0	108.9	Y183 Y198 A213 K214	Y183-I211 HydrophobicContact CE1-CD1 4.06Å; Y183-I211 WeakPolarHBondContact OH-CD1 3.38Å; Y198-I211 HydrophobicContact CD1-CD1 4.14Å; Y198-I211 HydrophobicContact CD1-CG1 4.21Å; Y198-I211 HydrophobicContact CD1-CG2 3.73Å; Y198-I211 HydrophobicContact CE1-CG2 4.49Å; I211-A213 WeakPolarHBondContact CG2-O 3.35Å; I211-K214 HydrophobicContact CG2-CD 4.4Å; I211-K214 HydrophobicContact CG2-CG 3.71Å
212	V	91.6	Very high	90	Very high	25 Å²	25	52 Å²	52	15%	0.152	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-29.4	179	-64.2	0	0	0	0	112.5	W180 V199 K201 V210 I254 L304	W180-V212 HydrophobicContact CE3-CG2 4.42Å; W180-V212 HydrophobicContact CH2-CG1 4.4Å; W180-V212 HydrophobicContact CZ3-CB 4.38Å; W180-V212 HydrophobicContact CZ3-CG1 3.96Å; W180-V212 HydrophobicContact CZ3-CG2 3.87Å; V199-V212 HydrophobicContact CB-CG2 3.87Å; V199-V212 HydrophobicContact CG1-CG2 3.66Å; V199-V212 WeakPolarHBondContact O-CG2 3.49Å; V199-V212 PolarHBondContact O-N 2.89Å; K201-V212 HydrophobicContact CB-CG1 4.47Å; K201-V212 HydrophobicContact CD-CG1 4.11Å; K201-V212 HydrophobicContact CG-CG1 3.88Å; V210-V212 PolarHBondContact O-N 3.3Å; V212-I254 HydrophobicContact CG2-CD1 4.27Å; V212-L304 WeakPolarHBondContact O-CD1 3.2Å; V212-L304 VanDerWaalsContact O-CD2 3.31Å; V212-L304 WeakPolarHBondContact O-CD2 3.31Å
213	A	90.9	Very high	90.1	Very high	7 Å²	7	58.4 Å²	58.4	6%	0.058	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	147.9	177.3	0	0	0	0	0	110.5	Y198 V199 I211 I299	Y198-A213 WeakPolarHBondContact CA-O 3.39Å; V199-A213 HydrophobicContact CB-CB 4.07Å; V199-A213 HydrophobicContact CG2-CB 4.33Å; V199-A213 PolarHBondContact N-O 3.49Å; V199-A213 PolarHBondContact O-N 3.47Å; I211-A213 WeakPolarHBondContact CG2-O 3.35Å; A213-I299 HydrophobicContact CB-CD1 4.25Å
214	K	92.4	Very high	90.3	Very high	137 Å²	137	57.4 Å²	57.4	60%	0.596	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.6	113.4	174.1	-60.7	-179.7	-173.6	172.7	0	107.5	Y198 I211	Y198-K214 HydrophobicContact CD1-CD 4.38Å; Y198-K214 HydrophobicContact CD1-CG 3.83Å; Y198-K214 HydrophobicContact CE1-CD 3.83Å; Y198-K214 HydrophobicContact CE1-CG 3.75Å; I211-K214 HydrophobicContact CG2-CD 4.4Å; I211-K214 HydrophobicContact CG2-CG 3.71Å
215	I	91.5	Very high	90.8	Very high	12 Å²	12	55.1 Å²	55.1	6%	0.062	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	116.3	-178.8	-59	168.4	0	0	0	106.9	L196 R197 T297 I299 V306 F308	L196-I215 CarbonylContact C-O 3.59Å; L196-I215 WeakPolarHBondContact CA-O 3.11Å; R197-I215 HydrophobicContact CB-CB 4.26Å; R197-I215 PolarHBondContact N-O 2.77Å; R197-I215 PolarHBondContact O-N 3.33Å; I215-T297 HydrophobicContact CD1-CG2 4.07Å; I215-I299 HydrophobicContact CD1-CD1 4.01Å; I215-V306 HydrophobicContact CD1-CG1 3.78Å; I215-V306 HydrophobicContact CD1-CG2 4.19Å; I215-V306 HydrophobicContact CG1-CG1 4.16Å; I215-V306 HydrophobicContact CG1-CG2 4Å; I215-F308 HydrophobicContact CG2-CE1 4.05Å; I215-F308 HydrophobicContact CG2-CZ 3.65Å
216	S	91.3	Very high	91.3	Very high	87 Å²	87	56.7 Å²	56.7	61%	0.608	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	121.7	175	-172.2	0	0	0	0	109.2
217	A	87.5	Confident	91.6	Very high	24 Å²	24	61.9 Å²	61.9	20%	0.198	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-15.8	173.5	0	0	0	0	0	112.7	I195 M239 V240 E241	I195-A217 HydrophobicContact CB-CB 4.06Å; I195-A217 HydrophobicContact CG2-CB 3.96Å; I195-A217 WeakPolarHBondContact O-CB 3.22Å; I195-A217 PolarHBondContact O-N 2.85Å; A217-M239 HydrophobicContact CB-CE 4.34Å; A217-V240 HydrophobicContact CB-CG2 4.03Å; A217-E241 HydrophobicContact CB-CG 3.25Å
218	G	91	Very high	91.8	Very high	28 Å²	28	62 Å²	62	29%	0.289	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	116.2	-178.3	-178.6	0	0	0	0	0	113	I195	I195-G218 PolarHBondContact N-O 2.85Å
219	T	95.2	Very high	91.9	Very high	72 Å²	72	61.4 Å²	61.4	44%	0.442	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	128.4	179.5	-53.5	0	0	0	0	109.3	E192 A193 D194	E192-T219 HydrophobicContact CB-CG2 3.99Å; E192-T219 HydrophobicContact CG-CG2 4.44Å; A193-T219 WeakPolarHBondContact O-CA 3.36Å; D194-T219 WeakPolarHBondContact OD1-CG2 3.46Å; D194-T219 PolarHBondContact OD1-OG1 2.83Å
220	V	95.1	Very high	91.6	Very high	6 Å²	6	64 Å²	64	4%	0.036	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	148.5	176.8	-63.4	0	0	0	0	109.8	E192 A193 I195 F235 M239 P265 L269	E192-V220 CarbonylContact C-O 3.54Å; E192-V220 WeakPolarHBondContact CA-O 3.32Å; A193-V220 HydrophobicContact CB-CG2 4Å; A193-V220 PolarHBondContact N-O 2.89Å; A193-V220 WeakPolarHBondContact O-CG2 3.36Å; A193-V220 PolarHBondContact O-N 3Å; I195-V220 HydrophobicContact CD1-CG2 3.92Å; I195-V220 HydrophobicContact CG1-CG1 3.97Å; I195-V220 HydrophobicContact CG1-CG2 3.79Å; V220-F235 HydrophobicContact CB-CE2 4.09Å; V220-F235 HydrophobicContact CB-CZ 3.94Å; V220-F235 HydrophobicContact CG1-CE1 4.26Å; V220-F235 HydrophobicContact CG1-CE2 4.33Å; V220-F235 HydrophobicContact CG1-CZ 3.76Å; V220-M239 HydrophobicContact CG1-CE 4.4Å; V220-M239 HydrophobicContact CG1-SD 4.11Å; V220-P265 HydrophobicContact CB-CB 4.2Å; V220-P265 HydrophobicContact CB-CG 4.16Å; V220-P265 HydrophobicContact CG1-CB 4.31Å; V220-P265 HydrophobicContact CG1-CG 4.07Å; V220-P265 HydrophobicContact CG2-CB 3.76Å; V220-P265 HydrophobicContact CG2-CG 4.28Å; V220-L269 HydrophobicContact CB-CD1 4.23Å; V220-L269 HydrophobicContact CG2-CD1 3.95Å; V220-L269 HydrophobicContact CG2-CD2 4.17Å; V220-L269 HydrophobicContact CG2-CG 4.31Å
221	N	95.9	Very high	91.3	Very high	33 Å²	33	63.1 Å²	63.1	18%	0.176	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	137.8	-176.2	-172.9	-59.9	0	0	0	110.7	E192 N223 M224	E192-N221 HydrophobicContact CG-CB 4.16Å; E192-N221 VanDerWaalsContact CG-ND2 3.32Å; E192-N221 WeakPolarHBondContact CG-ND2 3.34Å; E192-N221 PolarHBondContact OE1-ND2 3.38Å; N221-N223 PolarHBondContact O-N 2.66Å; N221-N223 VanDerWaalsContact O-N 3.14Å; N221-N223 WeakPolarHBondContact OD1-CB 3.41Å; N221-N223 PolarHBondContact OD1-N 3.45Å; N221-N223 PolarHBondContact OD1-ND2 3.09Å; N221-M224 WeakPolarHBondContact O-CB 3.35Å; N221-M224 PolarHBondContact O-N 2.82Å
222	A	95.3	Very high	90.9	Very high	30 Å²	30	65.1 Å²	65.1	25%	0.248	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-57.3	-27.6	-178.4	0	0	0	0	0	113.7	P191 M224 C225 L269	P191-A222 HydrophobicContact CB-CB 4.03Å; P191-A222 WeakPolarHBondContact O-CB 3.44Å; P191-A222 PolarHBondContact O-N 3.11Å; A222-M224 PolarHBondContact O-N 2.79Å; A222-M224 VanDerWaalsContact O-N 3.16Å; A222-C225 VanDerWaalsContact O-CB 3.3Å; A222-C225 WeakPolarHBondContact O-CB 3.48Å; A222-C225 PolarHBondContact O-N 2.8Å; A222-L269 HydrophobicContact CB-CB 4.15Å
223	N	94.9	Very high	90.7	Very high	136 Å²	136	65.2 Å²	65.2	73%	0.727	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-64.8	-17.8	177.2	-65.3	-21.9	0	0	0	113.3	N221 C225	N221-N223 PolarHBondContact O-N 2.66Å; N221-N223 VanDerWaalsContact O-N 3.14Å; N221-N223 WeakPolarHBondContact OD1-CB 3.41Å; N221-N223 PolarHBondContact OD1-N 3.45Å; N221-N223 PolarHBondContact OD1-ND2 3.09Å; N223-C225 VanDerWaalsContact C-N 3.3Å
224	M	94.2	Very high	90.6	Very high	51 Å²	51	65 Å²	65	25%	0.251	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-86.7	-1.5	176	-60.1	-55.3	-50.4	0	0	113	N221 A222 F235 L236 Q237	N221-M224 WeakPolarHBondContact O-CB 3.35Å; N221-M224 PolarHBondContact O-N 2.82Å; A222-M224 PolarHBondContact O-N 2.79Å; A222-M224 VanDerWaalsContact O-N 3.16Å; M224-F235 HydrophobicContact CB-CD2 3.94Å; M224-F235 HydrophobicContact CB-CE2 3.45Å; M224-F235 VanDerWaalsContact CB-CE2 3.45Å; M224-F235 HydrophobicContact CB-CZ 4.04Å; M224-F235 HydrophobicContact CG-CE2 4.31Å; M224-L236 HydrophobicContact CE-CB 4.2Å; M224-L236 WeakPolarHBondContact O-CB 3.39Å; M224-L236 WeakPolarHBondContact O-CG 3.31Å; M224-L236 PolarHBondContact O-N 3.24Å; M224-Q237 HydrophobicContact CE-CB 4.17Å; M224-Q237 HydrophobicContact CE-CG 3.49Å; M224-Q237 VanDerWaalsContact CE-CG 3.49Å; M224-Q237 VanDerWaalsContact CE-NE2 3.3Å; M224-Q237 PolarHBondContact SD-NE2 3.17Å; M224-Q237 VanDerWaalsContact SD-NE2 3.41Å
225	C	94.4	Very high	90.5	Very high	28 Å²	28	58.8 Å²	58.8	19%	0.189	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	129.3	176.4	-68.4	0	0	0	0	110.8	A222 N223 V234 C266	A222-C225 VanDerWaalsContact O-CB 3.3Å; A222-C225 WeakPolarHBondContact O-CB 3.48Å; A222-C225 PolarHBondContact O-N 2.8Å; N223-C225 VanDerWaalsContact C-N 3.3Å; C225-V234 WeakPolarHBondContact CA-O 3.46Å; C225-C266 WeakPolarHBondContact CA-SG 3.32Å; C225-C266 HydrophobicContact CB-CB 3.76Å; C225-C266 WeakPolarHBondContact CB-SG 3.37Å; C225-C266 WeakPolarHBondContact SG-CA 3.46Å; C225-C266 WeakPolarHBondContact SG-CB 3.43Å; C225-C266 CovalentContact SG-SG 2.04Å; C225-C266 PolarHBondContact SG-SG 3.18Å
226	N	92.5	Very high	90.3	Very high	88 Å²	88	63.1 Å²	63.1	47%	0.471	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	142.8	176.3	-166.9	7	0	0	0	110.6	L233 V234 L236	N226-L233 WeakPolarHBondContact O-CA 3.44Å; N226-V234 PolarHBondContact N-O 2.94Å; N226-V234 WeakPolarHBondContact O-CG2 3.21Å; N226-V234 PolarHBondContact O-N 3.16Å; N226-L236 HydrophobicContact CB-CD1 3.8Å; N226-L236 HydrophobicContact CB-CD2 4.03Å; N226-L236 HydrophobicContact CB-CG 3.95Å
227	R	90.9	Very high	90	Very high	159 Å²	159	63.2 Å²	63.2	60%	0.6	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	122.2	175.6	-167.5	175.2	-68.9	-94.9	6.5	109.1	G231 R232 L233	R227-G231 WeakPolarHBondContact CG-O 2.92Å; R227-G231 PolarHBondContact NH1-O 2.88Å; R227-R232 WeakPolarHBondContact CA-O 3.49Å; R227-L233 HydrophobicContact CB-CD2 4.01Å; R227-L233 HydrophobicContact CG-CD2 4.44Å
228	R	85.3	Confident	89.5	Confident	109 Å²	109	67.6 Å²	67.6	41%	0.411	38%	0.375	S	S	.	.			trans	-75.4	167.7	174.3	-71.6	-169.5	177.3	-168.5	7.9	111.2	D230 G231 R232 V234 F288	R228-D230 VanDerWaalsContact CB-OD1 3.24Å; R228-D230 WeakPolarHBondContact CB-OD1 2.86Å; R228-D230 PolarHBondContact O-N 2.66Å; R228-G231 WeakPolarHBondContact O-CA 3.49Å; R228-G231 PolarHBondContact O-N 3.41Å; R228-R232 PolarHBondContact N-O 2.94Å; R228-V234 HydrophobicContact CG-CG1 4.07Å; R228-V234 HydrophobicContact CG-CG2 3.87Å; R228-F288 VanDerWaalsContact CZ-CE1 3.46Å
229	A	87	Confident	89.1	Confident	119 Å²	119	67 Å²	67	98%	0.983	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-27.7	177.4	0	0	0	0	0	113.3	G231	A229-G231 PolarHBondContact O-N 3.29Å
230	D	84.3	Confident	88.6	Confident	88 Å²	88	66 Å²	66	47%	0.471	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	3.4	174.5	66.1	4.4	0	0	0	113.4	R228 R232	R228-D230 VanDerWaalsContact CB-OD1 3.24Å; R228-D230 WeakPolarHBondContact CB-OD1 2.86Å; R228-D230 PolarHBondContact O-N 2.66Å; D230-R232 VanDerWaalsContact C-N 3.31Å; D230-R232 PolarHBondContact O-N 3.44Å; D230-R232 WeakPolarHBondContact OD1-CB 2.87Å; D230-R232 PolarHBondContact OD1-N 3.2Å; D230-R232 IonicContact OD1-NE 3.99Å; D230-R232 IonicContact OD2-CZ 2.8Å; D230-R232 IonicContact OD2-NE 3.93Å; D230-R232 PolarHBondContact OD2-NE 3.38Å; D230-R232 IonicContact OD2-NH2 2.67Å; D230-R232 PolarHBondContact OD2-NH2 3.48Å
231	G	84.3	Confident	88.3	Confident	30 Å²	30	66 Å²	66	31%	0.309	36%	0.358	S	S	.	.	S	Bend	trans	85	-10	178.9	0	0	0	0	0	114.9	R227 R228 A229	R227-G231 WeakPolarHBondContact CG-O 2.92Å; R227-G231 PolarHBondContact NH1-O 2.88Å; R228-G231 WeakPolarHBondContact O-CA 3.49Å; R228-G231 PolarHBondContact O-N 3.41Å; A229-G231 PolarHBondContact O-N 3.29Å
232	R	83.4	Confident	87.9	Confident	98 Å²	98	64.5 Å²	64.5	37%	0.37	35%	0.35	S	S	.	.			trans	-71.8	139.4	179.6	-67.2	-174.1	-70.3	179.1	-6.7	111.2	R227 R228 D230 E287	R227-R232 WeakPolarHBondContact CA-O 3.49Å; R228-R232 PolarHBondContact N-O 2.94Å; D230-R232 VanDerWaalsContact C-N 3.31Å; D230-R232 PolarHBondContact O-N 3.44Å; D230-R232 WeakPolarHBondContact OD1-CB 2.87Å; D230-R232 PolarHBondContact OD1-N 3.2Å; D230-R232 IonicContact OD1-NE 3.99Å; D230-R232 IonicContact OD2-CZ 2.8Å; D230-R232 IonicContact OD2-NE 3.93Å; D230-R232 PolarHBondContact OD2-NE 3.38Å; D230-R232 IonicContact OD2-NH2 2.67Å; D230-R232 PolarHBondContact OD2-NH2 3.48Å; R232-E287 IonicContact CZ-OE2 3Å; R232-E287 IonicContact NH1-OE2 3.02Å; R232-E287 PolarHBondContact NH1-OE2 2.77Å; R232-E287 IonicContact NH2-OE2 3.09Å
233	L	88.5	Confident	87.7	Confident	27 Å²	27	63.1 Å²	63.1	14%	0.141	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	130.5	170.2	-70.9	171.2	0	0	0	109.3	N226 R227 N264 C266 L267 S270	N226-L233 WeakPolarHBondContact O-CA 3.44Å; R227-L233 HydrophobicContact CB-CD2 4.01Å; R227-L233 HydrophobicContact CG-CD2 4.44Å; L233-N264 PolarHBondContact O-ND2 3.36Å; L233-C266 HydrophobicContact CB-CB 3.69Å; L233-C266 HydrophobicContact CD1-CB 4.31Å; L233-L267 HydrophobicContact CD1-CD2 4.48Å; L233-S270 WeakPolarHBondContact CD1-OG 3.48Å
234	V	88.4	Confident	87.5	Confident	3 Å²	3	56.6 Å²	56.6	2%	0.018	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	141.1	175.6	-61.9	0	0	0	0	110.4	C225 N226 R228 L236 F288	C225-V234 WeakPolarHBondContact CA-O 3.46Å; N226-V234 PolarHBondContact N-O 2.94Å; N226-V234 WeakPolarHBondContact O-CG2 3.21Å; N226-V234 PolarHBondContact O-N 3.16Å; R228-V234 HydrophobicContact CG-CG1 4.07Å; R228-V234 HydrophobicContact CG-CG2 3.87Å; V234-L236 HydrophobicContact CG2-CD2 4.25Å; V234-F288 HydrophobicContact CG1-CD2 4.24Å; V234-F288 HydrophobicContact CG1-CE2 3.44Å; V234-F288 VanDerWaalsContact CG1-CE2 3.44Å; V234-F288 HydrophobicContact CG1-CZ 3.73Å
235	F	90.3	Very high	87.1	Confident	6 Å²	6	54.4 Å²	54.4	3%	0.026	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	126.6	172.3	-166.3	-115.3	0	0	0	109.1	V220 M224 Q237 M239 P265 Y290	V220-F235 HydrophobicContact CB-CE2 4.09Å; V220-F235 HydrophobicContact CB-CZ 3.94Å; V220-F235 HydrophobicContact CG1-CE1 4.26Å; V220-F235 HydrophobicContact CG1-CE2 4.33Å; V220-F235 HydrophobicContact CG1-CZ 3.76Å; M224-F235 HydrophobicContact CB-CD2 3.94Å; M224-F235 HydrophobicContact CB-CE2 3.45Å; M224-F235 VanDerWaalsContact CB-CE2 3.45Å; M224-F235 HydrophobicContact CB-CZ 4.04Å; M224-F235 HydrophobicContact CG-CE2 4.31Å; F235-Q237 HydrophobicContact CD1-CB 4.08Å; F235-Q237 VanDerWaalsContact CD1-O 3.24Å; F235-Q237 WeakPolarHBondContact CD1-O 3.29Å; F235-Q237 HydrophobicContact CE1-CB 3.46Å; F235-Q237 VanDerWaalsContact CE1-CB 3.46Å; F235-Q237 HydrophobicContact CZ-CB 3.91Å; F235-M239 HydrophobicContact CE1-SD 4.39Å; F235-P265 HydrophobicContact CB-CG 4.09Å; F235-P265 HydrophobicContact CD1-CG 4.03Å; F235-P265 HydrophobicContact CD2-CG 3.47Å; F235-P265 VanDerWaalsContact CD2-CG 3.47Å; F235-P265 HydrophobicContact CE1-CG 4.31Å; F235-P265 HydrophobicContact CE2-CG 3.77Å; F235-P265 HydrophobicContact CG-CG 3.61Å; F235-P265 HydrophobicContact CZ-CG 4.2Å; F235-Y290 PolarHBondContact O-OH 2.82Å; F235-Y290 VanDerWaalsContact O-OH 3.12Å
236	L	86.7	Confident	86.8	Confident	104 Å²	104	53.3 Å²	53.3	55%	0.545	29%	0.285	S	S	.	.			trans	-85.7	-15.7	-173	-65.2	-178.9	0	0	0	113.9	M224 N226 V234	M224-L236 HydrophobicContact CE-CB 4.2Å; M224-L236 WeakPolarHBondContact O-CB 3.39Å; M224-L236 WeakPolarHBondContact O-CG 3.31Å; M224-L236 PolarHBondContact O-N 3.24Å; N226-L236 HydrophobicContact CB-CD1 3.8Å; N226-L236 HydrophobicContact CB-CD2 4.03Å; N226-L236 HydrophobicContact CB-CG 3.95Å; V234-L236 HydrophobicContact CG2-CD2 4.25Å
237	Q	84.4	Confident	86.8	Confident	89 Å²	89	49.4 Å²	49.4	42%	0.416	26%	0.264	S	S	.	.	S	Bend	trans	-91.2	152.7	177.1	-100.9	168.7	22.3	0	0	111.5	M224 F235 M239	M224-Q237 HydrophobicContact CE-CB 4.17Å; M224-Q237 HydrophobicContact CE-CG 3.49Å; M224-Q237 VanDerWaalsContact CE-CG 3.49Å; M224-Q237 VanDerWaalsContact CE-NE2 3.3Å; M224-Q237 PolarHBondContact SD-NE2 3.17Å; M224-Q237 VanDerWaalsContact SD-NE2 3.41Å; F235-Q237 HydrophobicContact CD1-CB 4.08Å; F235-Q237 VanDerWaalsContact CD1-O 3.24Å; F235-Q237 WeakPolarHBondContact CD1-O 3.29Å; F235-Q237 HydrophobicContact CE1-CB 3.46Å; F235-Q237 VanDerWaalsContact CE1-CB 3.46Å; F235-Q237 HydrophobicContact CZ-CB 3.91Å; Q237-M239 PolarHBondContact O-N 3Å; Q237-M239 VanDerWaalsContact O-N 3.08Å
238	P	77.5	Confident	86.9	Confident	115 Å²	115	42.1 Å²	42.1	75%	0.747	24%	0.238	S	C	*	.			trans	-59.6	113.6	171.8	-20.5	32.2	0	0	0	110.1
239	M	83.6	Confident	87.3	Confident	15 Å²	15	37.7 Å²	37.7	7%	0.074	22%	0.223	C	C	.	.			trans	-81.6	134.6	171.4	-166.8	67.7	-155.1	0	0	108.8	I195 A217 V220 F235 Q237 E241 G261 F263	I195-M239 HydrophobicContact CB-CE 4.15Å; I195-M239 HydrophobicContact CG1-CE 4.12Å; I195-M239 HydrophobicContact CG2-CE 3.91Å; A217-M239 HydrophobicContact CB-CE 4.34Å; V220-M239 HydrophobicContact CG1-CE 4.4Å; V220-M239 HydrophobicContact CG1-SD 4.11Å; F235-M239 HydrophobicContact CE1-SD 4.39Å; Q237-M239 PolarHBondContact O-N 3Å; Q237-M239 VanDerWaalsContact O-N 3.08Å; M239-E241 HydrophobicContact CE-CB 3.67Å; M239-E241 HydrophobicContact CE-CG 3.96Å; M239-E241 HydrophobicContact CG-CB 4.36Å; M239-G261 WeakPolarHBondContact O-CA 3.21Å; M239-G261 PolarHBondContact O-N 3.2Å; M239-F263 HydrophobicContact CE-CD1 3.77Å; M239-F263 HydrophobicContact CE-CE1 4.27Å; M239-F263 HydrophobicContact CG-CB 4.21Å; M239-F263 HydrophobicContact CG-CD1 4.13Å; M239-F263 WeakPolarHBondContact CG-O 3.39Å; M239-F263 HydrophobicContact SD-CD1 4.11Å
240	V	83.3	Confident	87.6	Confident	51 Å²	51	32.6 Å²	32.6	31%	0.309	18%	0.18	S	C	.	.			trans	-91.9	-16.7	175.3	-60.9	0	0	0	0	112.6	A217 M258 R260	A217-V240 HydrophobicContact CB-CG2 4.03Å; V240-M258 WeakPolarHBondContact O-CE 3.17Å; V240-R260 WeakPolarHBondContact O-CG 3.36Å
241	E	89.3	Confident	87.8	Confident	8 Å²	8	36 Å²	36	4%	0.037	19%	0.193	C	C	.	.			trans	-90.5	161.5	178.1	-75.1	-71.1	179.5	0	0	112.9	L184 I195 R197 A217 M239 G261 T262 F263	L184-E241 HydrophobicContact CD1-CB 4.11Å; L184-E241 HydrophobicContact CD1-CG 3.8Å; I195-E241 HydrophobicContact CG2-CG 4.13Å; R197-E241 WeakPolarHBondContact CB-OE1 3.08Å; R197-E241 IonicContact CZ-OE2 3.68Å; R197-E241 IonicContact NE-OE1 2.6Å; R197-E241 PolarHBondContact NE-OE1 3.24Å; R197-E241 IonicContact NE-OE2 2.71Å; R197-E241 PolarHBondContact NE-OE2 2Å; R197-E241 IonicContact NH2-OE2 2.61Å; R197-E241 PolarHBondContact NH2-OE2 3.33Å; A217-E241 HydrophobicContact CB-CG 3.25Å; M239-E241 HydrophobicContact CE-CB 3.67Å; M239-E241 HydrophobicContact CE-CG 3.96Å; M239-E241 HydrophobicContact CG-CB 4.36Å; E241-G261 WeakPolarHBondContact O-CA 3.07Å; E241-G261 PolarHBondContact O-N 2.72Å; E241-T262 PolarHBondContact O-N 2.97Å; E241-F263 HydrophobicContact CB-CB 4.22Å; E241-F263 PolarHBondContact O-N 3.27Å
242	G	88.6	Confident	88.2	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	-174.6	-179.3	0	0	0	0	0	114.1	R197 M258 S259 T262	R197-G242 PolarHBondContact NH2-O 2.83Å; G242-M258 PolarHBondContact N-SD 2.82Å; G242-S259 WeakPolarHBondContact CA-O 3.36Å; G242-T262 WeakPolarHBondContact CA-OG1 3.4Å
243	Y	89.8	Confident	88.7	Confident	1 Å²	1	34.7 Å²	34.7	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	132	177.4	-171.1	-105.6	0	0	0	110.5	H131 H166 H245 S259 T262 M281 F284 F286 Q318 F346	H131-Y243 PolarHBondContact CE1-OH 3.39Å; H166-Y243 AromaticContact CE1-CD2 3.53Å; H166-Y243 AromaticContact CE1-CE2 3.07Å; H166-Y243 WeakPolarHBondContact CE1-CE2 3.1Å; H166-Y243 AromaticContact CE1-CZ 3.84Å; H166-Y243 AromaticContact ND1-CD2 4Å; H166-Y243 AromaticContact ND1-CE2 3.67Å; H166-Y243 AromaticContact NE2-CD2 3.65Å; H166-Y243 AromaticContact NE2-CE2 3.62Å; Y243-H245 HydrophobicContact CD1-CB 4.34Å; Y243-H245 HydrophobicContact CE1-CB 3.74Å; Y243-H245 AromaticContact CE1-ND1 3.86Å; Y243-H245 AromaticContact CZ-ND1 3.97Å; Y243-H245 PolarHBondContact OH-ND1 3Å; Y243-S259 PolarHBondContact O-N 3.4Å; Y243-S259 VanDerWaalsContact O-N 3.16Å; Y243-T262 PolarHBondContact N-OG1 3.23Å; Y243-M281 HydrophobicContact CE2-SD 4.36Å; Y243-F284 HydrophobicContact CD2-CE1 4.39Å; Y243-F284 HydrophobicContact CD2-CE2 4.36Å; Y243-F284 HydrophobicContact CD2-CZ 4.27Å; Y243-F286 HydrophobicContact CD1-CZ 4.08Å; Y243-F286 AromaticContact CG-CZ 3.86Å; Y243-F286 HydrophobicContact CG-CZ 3.86Å; Y243-Q318 VanDerWaalsContact CE1-OE1 3.23Å; Y243-F346 HydrophobicContact CD1-CZ 4.31Å; Y243-F346 AromaticContact CE1-CZ 3.8Å; Y243-F346 HydrophobicContact CE1-CZ 3.8Å
244	V	91.5	Very high	88.9	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	119.6	170.8	-179.8	0	0	0	0	106.7	H166 T168 T182 R197 L256 M258	H166-V244 PolarHBondContact NE2-O 3.17Å; T168-V244 HydrophobicContact CG2-CB 4.01Å; T168-V244 HydrophobicContact CG2-CG1 3.63Å; T168-V244 VanDerWaalsContact CG2-O 3.3Å; T168-V244 WeakPolarHBondContact CG2-O 2.99Å; T182-V244 HydrophobicContact CG2-CB 4.41Å; T182-V244 HydrophobicContact CG2-CG1 3.96Å; R197-V244 VanDerWaalsContact NH1-CG2 3.33Å; V244-L256 HydrophobicContact CG1-CB 4.42Å; V244-M258 HydrophobicContact CG2-CB 3.79Å; V244-M258 HydrophobicContact CG2-CG 3.78Å; V244-M258 HydrophobicContact CG2-SD 4.14Å
245	H	86.1	Confident	89.2	Confident	4 Å²	4	33.5 Å²	33.5	2%	0.019	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-44.3	-176.8	-171	55.5	0	0	0	112.6	Y170 Y243 Q318 I319	Y170-H245 WeakPolarHBondContact CB-O 3.36Å; Y170-H245 AromaticContact CD2-CD2 3.66Å; Y170-H245 AromaticContact CD2-CE1 3.41Å; Y170-H245 VanDerWaalsContact CD2-CE1 3.41Å; Y170-H245 WeakPolarHBondContact CD2-CE1 3.43Å; Y170-H245 AromaticContact CD2-ND1 3.96Å; Y170-H245 AromaticContact CD2-NE2 3.21Å; Y170-H245 WeakPolarHBondContact CD2-NE2 3.49Å; Y170-H245 AromaticContact CE2-CD2 3.94Å; Y170-H245 AromaticContact CE2-CE1 3.35Å; Y170-H245 WeakPolarHBondContact CE2-CE1 3.37Å; Y170-H245 AromaticContact CE2-NE2 3.06Å; Y170-H245 WeakPolarHBondContact CE2-NE2 3.34Å; Y170-H245 PolarHBondContact N-O 3.07Å; Y170-H245 VanDerWaalsContact N-O 3.14Å; Y243-H245 HydrophobicContact CD1-CB 4.34Å; Y243-H245 HydrophobicContact CE1-CB 3.74Å; Y243-H245 AromaticContact CE1-ND1 3.86Å; Y243-H245 AromaticContact CZ-ND1 3.97Å; Y243-H245 PolarHBondContact OH-ND1 3Å; H245-Q318 PolarHBondContact CD2-NE2 3.28Å; H245-Q318 PolarHBondContact CE1-NE2 3.31Å; H245-Q318 PolarHBondContact ND1-NE2 2.97Å; H245-Q318 VanDerWaalsContact ND1-NE2 3.11Å; H245-Q318 PolarHBondContact NE2-NE2 2.8Å; H245-Q318 VanDerWaalsContact NE2-NE2 3.11Å; H245-I319 WeakPolarHBondContact CB-O 3.22Å
246	S	87.9	Confident	89.3	Confident	5 Å²	5	33.2 Å²	33.2	4%	0.035	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	152.1	-176	55.5	0	0	0	0	112	Y170 I319 L321	Y170-S246 WeakPolarHBondContact O-CA 3.38Å; S246-I319 PolarHBondContact OG-O 3.14Å; S246-L321 VanDerWaalsContact OG-CG 3.31Å; S246-L321 WeakPolarHBondContact OG-CG 3.39Å; S246-L321 PolarHBondContact OG-N 3.38Å
247	I	92.9	Very high	89.4	Confident	6 Å²	6	28.5 Å²	28.5	3%	0.031	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	144	177.7	177.6	165.6	0	0	0	109.9	Y170 T172 W180 V199 V249 I254 L256	Y170-I247 WeakPolarHBondContact O-CG2 3.29Å; Y170-I247 PolarHBondContact O-N 3.02Å; T172-I247 WeakPolarHBondContact CB-O 3.48Å; T172-I247 HydrophobicContact CG2-CG2 4.07Å; W180-I247 HydrophobicContact CB-CD1 4.45Å; W180-I247 WeakPolarHBondContact O-CG2 3.11Å; V199-I247 HydrophobicContact CG1-CD1 4.24Å; I247-V249 HydrophobicContact CG1-CG2 4.36Å; I247-I254 HydrophobicContact CD1-CG2 3.66Å; I247-I254 HydrophobicContact CG1-CG2 4Å; I247-L256 HydrophobicContact CB-CD2 4.15Å; I247-L256 HydrophobicContact CD1-CD2 3.58Å; I247-L256 HydrophobicContact CG1-CD2 3.67Å
248	A	92.7	Very high	89.5	Confident	7 Å²	7	24.4 Å²	24.4	6%	0.058	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	147.8	170.5	0	0	0	0	0	110.8	I255 L321 A324	A248-I255 HydrophobicContact CB-CB 4.42Å; A248-I255 HydrophobicContact CB-CD1 4.42Å; A248-I255 PolarHBondContact N-O 3.28Å; A248-I255 PolarHBondContact O-N 3.5Å; A248-L321 HydrophobicContact CB-CD1 3.6Å; A248-A324 HydrophobicContact CB-CB 3.66Å
249	V	92.7	Very high	89.8	Confident	16 Å²	16	19.1 Å²	19.1	10%	0.097	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	123.8	-179.6	173.9	0	0	0	0	108.2	T172 W180 I247 Y253 I254	T172-V249 HydrophobicContact CG2-CB 3.81Å; T172-V249 HydrophobicContact CG2-CG2 3.56Å; W180-V249 HydrophobicContact CB-CG2 3.74Å; W180-V249 HydrophobicContact CD2-CG1 4.47Å; W180-V249 HydrophobicContact CD2-CG2 4.05Å; W180-V249 HydrophobicContact CG-CB 4.49Å; W180-V249 HydrophobicContact CG-CG1 4.49Å; W180-V249 HydrophobicContact CG-CG2 3.7Å; I247-V249 HydrophobicContact CG1-CG2 4.36Å; V249-Y253 WeakPolarHBondContact CA-O 3.21Å; V249-I254 HydrophobicContact CG2-CG1 4.26Å; V249-I254 HydrophobicContact CG2-CG2 4.13Å
250	T	93	Very high	89.7	Confident	11 Å²	11	21.6 Å²	21.6	7%	0.067	11%	0.108	C	C	.	.			trans	-100.9	-162.3	173.5	66	0	0	0	0	109.7	Y253 I255 K301 A324 E326 L333	T250-Y253 PolarHBondContact N-O 3.12Å; T250-Y253 WeakPolarHBondContact OG1-CB 3.48Å; T250-Y253 PolarHBondContact OG1-N 2.96Å; T250-Y253 PolarHBondContact OG1-O 3.16Å; T250-I255 HydrophobicContact CG2-CD1 3.99Å; T250-K301 WeakPolarHBondContact O-CE 3.34Å; T250-K301 PolarHBondContact O-NZ 2.86Å; T250-A324 HydrophobicContact CG2-CB 3.68Å; T250-E326 WeakPolarHBondContact CB-OE1 3.27Å; T250-E326 HydrophobicContact CG2-CG 4.35Å; T250-E326 PolarHBondContact OG1-OE1 2.83Å; T250-L333 HydrophobicContact CG2-CD1 3.67Å
251	E	89.3	Confident	89.6	Confident	161 Å²	161	19.3 Å²	19.3	75%	0.752	9%	0.094	S	C	*	.	S	Bend	trans	-65	-50.3	176	-171.9	166.2	175.9	0	0	110.5	K301 E326	E251-K301 WeakPolarHBondContact O-CD 3.38Å; E251-K301 WeakPolarHBondContact O-CE 3.37Å; E251-K301 PolarHBondContact O-NZ 3.26Å; E251-E326 PolarHBondContact N-OE1 2.76Å
252	N	91.8	Very high	89.5	Confident	69 Å²	69	18.9 Å²	18.9	37%	0.369	9%	0.092	S	C	.	.	S	Bend	trans	-108.2	-14.6	-171.5	-61.1	-60.5	0	0	0	114.6	K301 E326	N252-K301 WeakPolarHBondContact O-CB 3.28Å; N252-K301 WeakPolarHBondContact O-CG 3.35Å; N252-K301 PolarHBondContact O-N 2.86Å; N252-E326 WeakPolarHBondContact CB-OE2 3.37Å; N252-E326 PolarHBondContact N-OE1 3.08Å; N252-E326 PolarHBondContact ND2-OE2 3.01Å
253	Y	93.4	Very high	89.6	Confident	31 Å²	31	19.1 Å²	19.1	12%	0.122	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	154.7	-172.8	-53.8	-81.9	0	0	0	113.3	V249 T250 V298 I299 I300 K301 E326 L333 L374	V249-Y253 WeakPolarHBondContact CA-O 3.21Å; T250-Y253 PolarHBondContact N-O 3.12Å; T250-Y253 WeakPolarHBondContact OG1-CB 3.48Å; T250-Y253 PolarHBondContact OG1-N 2.96Å; T250-Y253 PolarHBondContact OG1-O 3.16Å; Y253-V298 HydrophobicContact CD1-CG1 3.88Å; Y253-V298 HydrophobicContact CG-CG1 4.39Å; Y253-I299 CarbonylContact C-O 3.49Å; Y253-I299 VanDerWaalsContact CA-O 3.3Å; Y253-I299 WeakPolarHBondContact CA-O 3.21Å; Y253-I300 HydrophobicContact CD1-CG1 4.18Å; Y253-I300 HydrophobicContact CE1-CB 4.49Å; Y253-I300 HydrophobicContact CE1-CG1 3.92Å; Y253-I300 HydrophobicContact CE1-CG2 4.43Å; Y253-K301 WeakPolarHBondContact O-CE 3.29Å; Y253-E326 VanDerWaalsContact CD2-CD 3.45Å; Y253-E326 HydrophobicContact CD2-CG 3.76Å; Y253-E326 HydrophobicContact CE2-CG 3.96Å; Y253-E326 WeakPolarHBondContact CE2-OE2 3.43Å; Y253-L333 HydrophobicContact CD2-CD1 4.41Å; Y253-L333 HydrophobicContact CD2-CD2 4.44Å; Y253-L333 HydrophobicContact CG-CD2 4.22Å; Y253-L374 HydrophobicContact CE1-CD1 3.89Å; Y253-L374 HydrophobicContact CE1-CD2 4.25Å; Y253-L374 HydrophobicContact CE2-CD1 3.9Å; Y253-L374 VanDerWaalsContact CZ-CD1 3.41Å; Y253-L374 VanDerWaalsContact OH-CD1 3.24Å; Y253-L374 WeakPolarHBondContact OH-CD1 3.43Å
254	I	94.1	Very high	89.7	Confident	1 Å²	1	19.2 Å²	19.2	1%	0.005	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133.6	165.5	-52.6	167.9	0	0	0	106.6	W180 V199 V212 I247 V249 L256 V298 I299 K301	W180-I254 HydrophobicContact CE3-CD1 3.98Å; W180-I254 HydrophobicContact CZ3-CD1 3.66Å; W180-I254 HydrophobicContact CZ3-CG1 4.44Å; V199-I254 HydrophobicContact CG1-CD1 4.05Å; V199-I254 HydrophobicContact CG1-CG2 4.15Å; V212-I254 HydrophobicContact CG2-CD1 4.27Å; I247-I254 HydrophobicContact CD1-CG2 3.66Å; I247-I254 HydrophobicContact CG1-CG2 4Å; V249-I254 HydrophobicContact CG2-CG1 4.26Å; V249-I254 HydrophobicContact CG2-CG2 4.13Å; I254-L256 HydrophobicContact CG2-CD2 4.33Å; I254-V298 WeakPolarHBondContact O-CA 2.99Å; I254-I299 HydrophobicContact CB-CB 4.13Å; I254-I299 PolarHBondContact N-O 2.78Å; I254-I299 PolarHBondContact O-N 3.47Å; I254-K301 HydrophobicContact CD1-CG 4.2Å; I254-K301 HydrophobicContact CG1-CG 3.88Å
255	I	93.9	Very high	89.9	Confident	3 Å²	3	19.2 Å²	19.2	2%	0.015	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	127.2	-176.9	-49.6	84.5	0	0	0	109.6	A248 T250 T297 A324 L333 V335	A248-I255 HydrophobicContact CB-CB 4.42Å; A248-I255 HydrophobicContact CB-CD1 4.42Å; A248-I255 PolarHBondContact N-O 3.28Å; A248-I255 PolarHBondContact O-N 3.5Å; T250-I255 HydrophobicContact CG2-CD1 3.99Å; I255-T297 WeakPolarHBondContact CA-O 2.98Å; I255-A324 HydrophobicContact CD1-CB 4.25Å; I255-L333 HydrophobicContact CD1-CD1 4.15Å; I255-L333 HydrophobicContact CD1-CD2 3.95Å; I255-L333 HydrophobicContact CG1-CD2 3.63Å; I255-L333 HydrophobicContact CG1-CG 4.46Å; I255-V335 HydrophobicContact CB-CG2 4.47Å; I255-V335 HydrophobicContact CG1-CG2 4.18Å; I255-V335 HydrophobicContact CG2-CG2 4.17Å
256	L	92.3	Very high	90.3	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	132.5	169.7	-42.6	-178.8	0	0	0	108	T182 V199 V244 I247 I254 A296 T297	T182-L256 HydrophobicContact CG2-CD1 4.22Å; T182-L256 HydrophobicContact CG2-CD2 3.79Å; V199-L256 HydrophobicContact CG2-CD1 4.2Å; V244-L256 HydrophobicContact CG1-CB 4.42Å; I247-L256 HydrophobicContact CB-CD2 4.15Å; I247-L256 HydrophobicContact CD1-CD2 3.58Å; I247-L256 HydrophobicContact CG1-CD2 3.67Å; I254-L256 HydrophobicContact CG2-CD2 4.33Å; L256-A296 CarbonylContact O-C 3.56Å; L256-A296 WeakPolarHBondContact O-CA 3.02Å; L256-T297 PolarHBondContact N-O 3.49Å; L256-T297 PolarHBondContact O-N 3.5Å
257	A	88.2	Confident	90.5	Very high	6 Å²	6	20.7 Å²	20.7	5%	0.05	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	118.4	168.6	0	0	0	0	0	108	I319 L321	A257-I319 HydrophobicContact CB-CB 4.25Å; A257-I319 HydrophobicContact CB-CD1 3.69Å; A257-I319 HydrophobicContact CB-CG2 3.91Å; A257-L321 HydrophobicContact CB-CD2 4.1Å
258	M	87.6	Confident	90.6	Very high	3 Å²	3	20.4 Å²	20.4	2%	0.015	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	136.6	-169.4	-175	170.5	61.3	0	0	111.8	R197 V240 G242 V244 R260 E295	R197-M258 PolarHBondContact NH2-SD 2.88Å; V240-M258 WeakPolarHBondContact O-CE 3.17Å; G242-M258 PolarHBondContact N-SD 2.82Å; V244-M258 HydrophobicContact CG2-CB 3.79Å; V244-M258 HydrophobicContact CG2-CG 3.78Å; V244-M258 HydrophobicContact CG2-SD 4.14Å; M258-R260 VanDerWaalsContact C-N 3.33Å; M258-R260 PolarHBondContact O-N 2.86Å; M258-E295 HydrophobicContact CE-CB 4.3Å; M258-E295 VanDerWaalsContact CE-OE1 3.23Å; M258-E295 WeakPolarHBondContact CE-OE1 3.39Å; M258-E295 PolarHBondContact N-O 3.26Å; M258-E295 PolarHBondContact O-N 2.78Å
259	S	83.7	Confident	90.7	Very high	4 Å²	4	20.5 Å²	20.5	3%	0.028	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	81.9	167.9	-31.3	0	0	0	0	108.9	G242 Y243 T262 Q317	G242-S259 WeakPolarHBondContact CA-O 3.36Å; Y243-S259 PolarHBondContact O-N 3.4Å; Y243-S259 VanDerWaalsContact O-N 3.16Å; S259-T262 WeakPolarHBondContact O-CB 3.32Å; S259-T262 WeakPolarHBondContact O-CG2 3.42Å; S259-T262 PolarHBondContact O-N 2.85Å; S259-T262 PolarHBondContact O-OG1 2.85Å; S259-Q317 PolarHBondContact OG-O 3.16Å
260	R	80.7	Confident	90.8	Very high	67 Å²	67	23.3 Å²	23.3	25%	0.253	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	140.5	-171.9	-166.7	176.1	170.3	153.7	-5.1	112.2	V240 M258 T262 T293 E295 D310	V240-R260 WeakPolarHBondContact O-CG 3.36Å; M258-R260 VanDerWaalsContact C-N 3.33Å; M258-R260 PolarHBondContact O-N 2.86Å; R260-T262 VanDerWaalsContact C-N 3.26Å; R260-T262 PolarHBondContact O-N 3.09Å; R260-T293 VanDerWaalsContact CB-O 3.31Å; R260-T293 WeakPolarHBondContact CB-O 3.46Å; R260-E295 HydrophobicContact CB-CB 4.28Å; R260-E295 IonicContact CZ-OE2 3.87Å; R260-E295 IonicContact NE-OE2 3.59Å; R260-E295 IonicContact NH1-OE2 3.03Å; R260-E295 PolarHBondContact NH1-OE2 3.39Å; R260-D310 IonicContact CZ-OD1 3.2Å; R260-D310 IonicContact NH1-OD1 3.25Å; R260-D310 PolarHBondContact NH1-OD1 2.52Å
261	G	82.8	Confident	90.8	Very high	2 Å²	2	25.3 Å²	25.3	2%	0.021	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	3.4	175.5	0	0	0	0	0	115.8	M239 E241 Y290	M239-G261 WeakPolarHBondContact O-CA 3.21Å; M239-G261 PolarHBondContact O-N 3.2Å; E241-G261 WeakPolarHBondContact O-CA 3.07Å; E241-G261 PolarHBondContact O-N 2.72Å; G261-Y290 WeakPolarHBondContact O-CD2 3.38Å; G261-Y290 WeakPolarHBondContact O-CE2 3.22Å
262	T	86.9	Confident	91	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.096	C	C	.	.			trans	-77	-24.4	177.7	51.1	0	0	0	0	113	E241 G242 Y243 S259 R260 N264 F284 N285 F286 Q316	E241-T262 PolarHBondContact O-N 2.97Å; G242-T262 WeakPolarHBondContact CA-OG1 3.4Å; Y243-T262 PolarHBondContact N-OG1 3.23Å; S259-T262 WeakPolarHBondContact O-CB 3.32Å; S259-T262 WeakPolarHBondContact O-CG2 3.42Å; S259-T262 PolarHBondContact O-N 2.85Å; S259-T262 PolarHBondContact O-OG1 2.85Å; R260-T262 VanDerWaalsContact C-N 3.26Å; R260-T262 PolarHBondContact O-N 3.09Å; T262-N264 PolarHBondContact O-N 3.28Å; T262-F284 CarbonylContact O-C 3.52Å; T262-F284 VanDerWaalsContact O-CA 3.24Å; T262-F284 WeakPolarHBondContact O-CA 3.36Å; T262-N285 PolarHBondContact O-N 3.49Å; T262-F286 HydrophobicContact CG2-CD1 3.81Å; T262-F286 HydrophobicContact CG2-CE1 3.88Å; T262-F286 HydrophobicContact CG2-CG 4.38Å; T262-F286 HydrophobicContact CG2-CZ 4.46Å; T262-Q316 VanDerWaalsContact CG2-CD 3.48Å; T262-Q316 HydrophobicContact CG2-CG 4.4Å
263	F	90.8	Very high	90.9	Very high	4 Å²	4	18.3 Å²	18.3	2%	0.018	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-71.7	131.7	-177	176.1	-108.5	0	0	0	112.3	L165 L184 I195 M239 E241 P265 N283 F284	L165-F263 HydrophobicContact CD1-CE1 4.47Å; L165-F263 HydrophobicContact CD1-CE2 3.77Å; L165-F263 HydrophobicContact CD1-CZ 3.48Å; L165-F263 VanDerWaalsContact CD1-CZ 3.48Å; L184-F263 HydrophobicContact CD2-CB 4.31Å; L184-F263 HydrophobicContact CD2-CD1 4.17Å; L184-F263 HydrophobicContact CD2-CD2 3.57Å; L184-F263 HydrophobicContact CD2-CE1 4.4Å; L184-F263 HydrophobicContact CD2-CE2 3.87Å; L184-F263 HydrophobicContact CD2-CG 3.74Å; L184-F263 HydrophobicContact CD2-CZ 4.27Å; I195-F263 HydrophobicContact CD1-CE1 3.99Å; I195-F263 HydrophobicContact CD1-CZ 4.4Å; I195-F263 HydrophobicContact CG1-CE1 4.26Å; I195-F263 HydrophobicContact CG2-CE1 4.28Å; M239-F263 HydrophobicContact CE-CD1 3.77Å; M239-F263 HydrophobicContact CE-CE1 4.27Å; M239-F263 HydrophobicContact CG-CB 4.21Å; M239-F263 HydrophobicContact CG-CD1 4.13Å; M239-F263 WeakPolarHBondContact CG-O 3.39Å; M239-F263 HydrophobicContact SD-CD1 4.11Å; E241-F263 HydrophobicContact CB-CB 4.22Å; E241-F263 PolarHBondContact O-N 3.27Å; F263-P265 HydrophobicContact CE1-CB 3.79Å; F263-P265 HydrophobicContact CE1-CG 4.49Å; F263-P265 HydrophobicContact CZ-CB 4.24Å; F263-N283 HydrophobicContact CD2-CB 4.42Å; F263-N283 WeakPolarHBondContact CD2-O 3.23Å; F263-N283 HydrophobicContact CE2-CB 4.14Å; F263-F284 HydrophobicContact CB-CD1 4.23Å; F263-F284 HydrophobicContact CB-CE1 3.99Å; F263-F284 HydrophobicContact CD2-CD1 4.48Å; F263-F284 AromaticContact CD2-CE1 4Å; F263-F284 HydrophobicContact CD2-CE1 4Å; F263-F284 HydrophobicContact CD2-CZ 4.11Å; F263-F284 HydrophobicContact CG-CE1 4.47Å
264	N	91.9	Very high	90.8	Very high	4 Å²	4	19.8 Å²	19.8	2%	0.021	11%	0.106	C	C	.	.			trans	-113.6	103.3	178.9	-174.5	-0.9	0	0	0	110.4	L233 T262 C266 N283 N285	L233-N264 PolarHBondContact O-ND2 3.36Å; T262-N264 PolarHBondContact O-N 3.28Å; N264-C266 PolarHBondContact O-N 3.44Å; N264-C266 VanDerWaalsContact OD1-CB 3.32Å; N264-C266 WeakPolarHBondContact OD1-CB 3.44Å; N264-C266 PolarHBondContact OD1-N 3.05Å; N264-C266 VanDerWaalsContact OD1-N 3.12Å; N264-C266 PolarHBondContact OD1-SG 2.8Å; N264-N283 PolarHBondContact N-O 3.17Å; N264-N285 WeakPolarHBondContact CB-ND2 3.16Å; N264-N285 VanDerWaalsContact CG-ND2 3.34Å; N264-N285 PolarHBondContact ND2-ND2 3.48Å; N264-N285 PolarHBondContact ND2-OD1 3.31Å
265	P	94.2	Very high	90.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-8.1	-179.4	30.7	-37.6	0	0	0	113.8	V220 F235 F263 L267 L268 L269	V220-P265 HydrophobicContact CB-CB 4.2Å; V220-P265 HydrophobicContact CB-CG 4.16Å; V220-P265 HydrophobicContact CG1-CB 4.31Å; V220-P265 HydrophobicContact CG1-CG 4.07Å; V220-P265 HydrophobicContact CG2-CB 3.76Å; V220-P265 HydrophobicContact CG2-CG 4.28Å; F235-P265 HydrophobicContact CB-CG 4.09Å; F235-P265 HydrophobicContact CD1-CG 4.03Å; F235-P265 HydrophobicContact CD2-CG 3.47Å; F235-P265 VanDerWaalsContact CD2-CG 3.47Å; F235-P265 HydrophobicContact CE1-CG 4.31Å; F235-P265 HydrophobicContact CE2-CG 3.77Å; F235-P265 HydrophobicContact CG-CG 3.61Å; F235-P265 HydrophobicContact CZ-CG 4.2Å; F263-P265 HydrophobicContact CE1-CB 3.79Å; F263-P265 HydrophobicContact CE1-CG 4.49Å; F263-P265 HydrophobicContact CZ-CB 4.24Å; P265-L267 VanDerWaalsContact C-N 3.33Å; P265-L267 PolarHBondContact O-N 2.82Å; P265-L268 WeakPolarHBondContact O-CB 3.21Å; P265-L268 PolarHBondContact O-N 3.09Å; P265-L268 VanDerWaalsContact O-N 3.09Å; P265-L269 HydrophobicContact CB-CD1 3.98Å; P265-L269 HydrophobicContact CB-CG 4.43Å; P265-L269 HydrophobicContact CG-CD1 4.29Å; P265-L269 WeakPolarHBondContact O-CG 3.49Å; P265-L269 PolarHBondContact O-N 2.71Å
266	C	94.7	Very high	90.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-66.5	-31.9	-167.8	-67.7	0	0	0	0	114.5	C225 L233 N264 L269 S270	C225-C266 WeakPolarHBondContact CA-SG 3.32Å; C225-C266 HydrophobicContact CB-CB 3.76Å; C225-C266 WeakPolarHBondContact CB-SG 3.37Å; C225-C266 WeakPolarHBondContact SG-CA 3.46Å; C225-C266 WeakPolarHBondContact SG-CB 3.43Å; C225-C266 CovalentContact SG-SG 2.04Å; C225-C266 PolarHBondContact SG-SG 3.18Å; L233-C266 HydrophobicContact CB-CB 3.69Å; L233-C266 HydrophobicContact CD1-CB 4.31Å; N264-C266 PolarHBondContact O-N 3.44Å; N264-C266 VanDerWaalsContact OD1-CB 3.32Å; N264-C266 WeakPolarHBondContact OD1-CB 3.44Å; N264-C266 PolarHBondContact OD1-N 3.05Å; N264-C266 VanDerWaalsContact OD1-N 3.12Å; N264-C266 PolarHBondContact OD1-SG 2.8Å; C266-L269 PolarHBondContact O-N 2.8Å; C266-S270 VanDerWaalsContact O-CB 3.3Å; C266-S270 WeakPolarHBondContact O-CB 3.36Å; C266-S270 PolarHBondContact O-N 2.82Å; C266-S270 PolarHBondContact O-OG 3.12Å
267	L	92.7	Very high	90.6	Very high	40 Å²	40	22.5 Å²	22.5	21%	0.209	12%	0.119	C	C	.	.	H	α-helix	trans	-67.7	-43.2	172.3	-70.2	176.1	0	0	0	111.6	L233 P265 L269 S270 L271 V275 D282	L233-L267 HydrophobicContact CD1-CD2 4.48Å; P265-L267 VanDerWaalsContact C-N 3.33Å; P265-L267 PolarHBondContact O-N 2.82Å; L267-L269 VanDerWaalsContact C-N 3.33Å; L267-L269 PolarHBondContact O-N 2.82Å; L267-S270 PolarHBondContact O-N 2.87Å; L267-L271 VanDerWaalsContact O-CB 3.27Å; L267-L271 WeakPolarHBondContact O-CB 3.36Å; L267-L271 WeakPolarHBondContact O-CG 3.34Å; L267-L271 PolarHBondContact O-N 2.79Å; L267-V275 HydrophobicContact CB-CG2 4.2Å; L267-D282 HydrophobicContact CD1-CB 3.51Å; L267-D282 VanDerWaalsContact CD1-O 3.25Å; L267-D282 WeakPolarHBondContact CD1-O 3.31Å
268	L	95	Very high	90.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-57.7	-46.9	173.2	164.3	72.1	0	0	0	111.1	L165 A186 L188 A193 I195 P265 S270 G272 V275	L165-L268 HydrophobicContact CD1-CD2 4.19Å; L165-L268 HydrophobicContact CD2-CD1 4.24Å; A186-L268 HydrophobicContact CB-CD1 4.2Å; A186-L268 HydrophobicContact CB-CD2 3.44Å; A186-L268 VanDerWaalsContact CB-CD2 3.44Å; A186-L268 HydrophobicContact CB-CG 4.46Å; L188-L268 HydrophobicContact CD1-CD1 3.54Å; L188-L268 HydrophobicContact CD1-CG 4.07Å; A193-L268 HydrophobicContact CB-CD2 3.99Å; I195-L268 HydrophobicContact CD1-CD2 3.8Å; P265-L268 WeakPolarHBondContact O-CB 3.21Å; P265-L268 PolarHBondContact O-N 3.09Å; P265-L268 VanDerWaalsContact O-N 3.09Å; L268-S270 VanDerWaalsContact C-N 3.27Å; L268-S270 PolarHBondContact O-N 3.32Å; L268-G272 VanDerWaalsContact O-CA 3.29Å; L268-G272 WeakPolarHBondContact O-CA 3.33Å; L268-G272 PolarHBondContact O-N 2.92Å; L268-V275 HydrophobicContact CB-CG1 4.42Å; L268-V275 HydrophobicContact CB-CG2 4.27Å; L268-V275 HydrophobicContact CD1-CG1 3.84Å
269	L	95.8	Very high	91.2	Very high	9 Å²	9	23.7 Å²	23.7	5%	0.047	12%	0.123	C	C	.	.	H	α-helix	trans	-69.4	-25.6	-178.1	-69.3	166.4	0	0	0	113	L190 A193 V220 A222 P265 C266 L267	L190-L269 WeakPolarHBondContact CD2-O 3.43Å; A193-L269 HydrophobicContact CB-CD2 4Å; V220-L269 HydrophobicContact CB-CD1 4.23Å; V220-L269 HydrophobicContact CG2-CD1 3.95Å; V220-L269 HydrophobicContact CG2-CD2 4.17Å; V220-L269 HydrophobicContact CG2-CG 4.31Å; A222-L269 HydrophobicContact CB-CB 4.15Å; P265-L269 HydrophobicContact CB-CD1 3.98Å; P265-L269 HydrophobicContact CB-CG 4.43Å; P265-L269 HydrophobicContact CG-CD1 4.29Å; P265-L269 WeakPolarHBondContact O-CG 3.49Å; P265-L269 PolarHBondContact O-N 2.71Å; C266-L269 PolarHBondContact O-N 2.8Å; L267-L269 VanDerWaalsContact C-N 3.33Å; L267-L269 PolarHBondContact O-N 2.82Å
270	S	94.1	Very high	91.7	Very high	74 Å²	74	23.7 Å²	23.7	52%	0.517	12%	0.123	S	C	.	.	H	α-helix	trans	-88	-35	178.6	-56	0	0	0	0	112.9	L233 C266 L267 L268	L233-S270 WeakPolarHBondContact CD1-OG 3.48Å; C266-S270 VanDerWaalsContact O-CB 3.3Å; C266-S270 WeakPolarHBondContact O-CB 3.36Å; C266-S270 PolarHBondContact O-N 2.82Å; C266-S270 PolarHBondContact O-OG 3.12Å; L267-S270 PolarHBondContact O-N 2.87Å; L268-S270 VanDerWaalsContact C-N 3.27Å; L268-S270 PolarHBondContact O-N 3.32Å
271	L	93.1	Very high	92.2	Very high	54 Å²	54	20.9 Å²	20.9	28%	0.283	11%	0.112	S	C	.	.	H	α-helix	trans	-104.9	-12.4	-172.3	-59.3	176.3	0	0	0	113.3	L267 E273 D274 V275 K278	L267-L271 VanDerWaalsContact O-CB 3.27Å; L267-L271 WeakPolarHBondContact O-CB 3.36Å; L267-L271 WeakPolarHBondContact O-CG 3.34Å; L267-L271 PolarHBondContact O-N 2.79Å; L271-E273 PolarHBondContact O-N 2.85Å; L271-D274 HydrophobicContact CB-CB 4.38Å; L271-D274 PolarHBondContact O-N 2.94Å; L271-V275 HydrophobicContact CB-CB 4.47Å; L271-K278 HydrophobicContact CD1-CD 4.18Å; L271-K278 HydrophobicContact CD1-CG 3.61Å
272	G	93.4	Very high	92.6	Very high	4 Å²	4	23.8 Å²	23.8	4%	0.041	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	59.5	-128.9	-173.4	0	0	0	0	0	111.8	L268 D274 V275	L268-G272 VanDerWaalsContact O-CA 3.29Å; L268-G272 WeakPolarHBondContact O-CA 3.33Å; L268-G272 PolarHBondContact O-N 2.92Å; G272-D274 PolarHBondContact O-N 3.45Å; G272-V275 VanDerWaalsContact O-CG1 3.27Å; G272-V275 WeakPolarHBondContact O-CG1 3.4Å; G272-V275 PolarHBondContact O-N 2.9Å
273	E	90.2	Very high	92.8	Very high	79 Å²	79	23.9 Å²	23.9	37%	0.369	13%	0.128	S	C	.	.	G	3₁₀ helix	trans	-66.1	-26.6	-179.5	-55	-147.7	153.5	0	0	113.2	R156 I163 L271 V275 V276	R156-E273 IonicContact CZ-OE1 3.27Å; R156-E273 IonicContact CZ-OE2 2.83Å; R156-E273 VanDerWaalsContact NH1-CD 3.31Å; R156-E273 IonicContact NH1-OE1 3.15Å; R156-E273 PolarHBondContact NH1-OE1 2.78Å; R156-E273 IonicContact NH1-OE2 3.86Å; R156-E273 PolarHBondContact NH1-OE2 3.31Å; R156-E273 IonicContact NH2-OE1 3.87Å; R156-E273 PolarHBondContact NH2-OE1 2.88Å; R156-E273 IonicContact NH2-OE2 3.45Å; I163-E273 HydrophobicContact CD1-CB 4.39Å; I163-E273 HydrophobicContact CD1-CG 3.88Å; L271-E273 PolarHBondContact O-N 2.85Å; E273-V275 PolarHBondContact O-N 2.86Å; E273-V276 WeakPolarHBondContact O-CG2 3.5Å; E273-V276 PolarHBondContact O-N 3.39Å
274	D	91.6	Very high	92.7	Very high	62 Å²	62	24.1 Å²	24.1	33%	0.332	13%	0.129	S	C	.	.	G	3₁₀ helix	trans	-67.7	-10.9	-175.2	-57.7	-26.3	0	0	0	112.6	L271 G272 V276 R277	L271-D274 HydrophobicContact CB-CB 4.38Å; L271-D274 PolarHBondContact O-N 2.94Å; G272-D274 PolarHBondContact O-N 3.45Å; D274-V276 PolarHBondContact O-N 3.21Å; D274-V276 VanDerWaalsContact O-N 3.15Å; D274-R277 VanDerWaalsContact CG-NH1 3.34Å; D274-R277 WeakPolarHBondContact O-CB 3.47Å; D274-R277 PolarHBondContact O-N 3.46Å; D274-R277 IonicContact OD1-CZ 3.61Å; D274-R277 IonicContact OD1-NH1 3.2Å; D274-R277 PolarHBondContact OD1-NH1 2.62Å
275	V	92.8	Very high	92.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-54.7	-30.2	171.7	75	0	0	0	0	112.5	I163 L165 L267 L268 L271 G272 E273 R277 K278 N283	I163-V275 HydrophobicContact CG2-CG1 4.5Å; L165-V275 HydrophobicContact CD2-CG1 3.94Å; L267-V275 HydrophobicContact CB-CG2 4.2Å; L268-V275 HydrophobicContact CB-CG1 4.42Å; L268-V275 HydrophobicContact CB-CG2 4.27Å; L268-V275 HydrophobicContact CD1-CG1 3.84Å; L271-V275 HydrophobicContact CB-CB 4.47Å; G272-V275 VanDerWaalsContact O-CG1 3.27Å; G272-V275 WeakPolarHBondContact O-CG1 3.4Å; G272-V275 PolarHBondContact O-N 2.9Å; E273-V275 PolarHBondContact O-N 2.86Å; V275-R277 PolarHBondContact O-N 2.79Å; V275-R277 VanDerWaalsContact O-N 3.14Å; V275-K278 PolarHBondContact O-N 2.94Å; V275-N283 WeakPolarHBondContact CG2-ND2 3.46Å
276	V	90.5	Very high	91.8	Very high	30 Å²	30	25.4 Å²	25.4	18%	0.182	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-69	-10.8	179.6	-55.2	0	0	0	0	113.3	R89 I163 E273 D274	R89-V276 WeakPolarHBondContact CD-O 3.18Å; R89-V276 VanDerWaalsContact CG-O 3.23Å; R89-V276 WeakPolarHBondContact CG-O 3.28Å; R89-V276 PolarHBondContact NE-O 3.05Å; I163-V276 HydrophobicContact CG2-CG1 3.4Å; E273-V276 WeakPolarHBondContact O-CG2 3.5Å; E273-V276 PolarHBondContact O-N 3.39Å; D274-V276 PolarHBondContact O-N 3.21Å; D274-V276 VanDerWaalsContact O-N 3.15Å
277	R	92.5	Very high	90.8	Very high	31 Å²	31	31 Å²	31	12%	0.117	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-95.4	-4.7	174.3	-58	-175.2	-169.1	96.6	7.8	112.6	T95 C100 E104 D274 V275	T95-R277 VanDerWaalsContact CB-O 3.31Å; T95-R277 WeakPolarHBondContact CB-O 3.42Å; T95-R277 WeakPolarHBondContact CG2-O 3.46Å; T95-R277 PolarHBondContact OG1-O 2.9Å; C100-R277 HydrophobicContact CB-CB 4.15Å; C100-R277 HydrophobicContact CB-CG 4.04Å; E104-R277 IonicContact OE1-CZ 2.7Å; E104-R277 IonicContact OE1-NE 3.43Å; E104-R277 PolarHBondContact OE1-NE 3.43Å; E104-R277 IonicContact OE1-NH2 3.43Å; E104-R277 IonicContact OE2-CZ 2.76Å; E104-R277 IonicContact OE2-NE 3.47Å; E104-R277 PolarHBondContact OE2-NE 2.89Å; E104-R277 IonicContact OE2-NH2 3.23Å; E104-R277 PolarHBondContact OE2-NH2 3.49Å; D274-R277 VanDerWaalsContact CG-NH1 3.34Å; D274-R277 WeakPolarHBondContact O-CB 3.47Å; D274-R277 PolarHBondContact O-N 3.46Å; D274-R277 IonicContact OD1-CZ 3.61Å; D274-R277 IonicContact OD1-NH1 3.2Å; D274-R277 PolarHBondContact OD1-NH1 2.62Å; V275-R277 PolarHBondContact O-N 2.79Å; V275-R277 VanDerWaalsContact O-N 3.14Å
278	K	93.7	Very high	89.7	Confident	34 Å²	34	30 Å²	30	15%	0.148	16%	0.156	C	C	.	.	S	Bend	trans	-88.4	156.6	174.9	-59	-58.6	175.8	-167.6	0	110.9	E97 L271 V275 L280	E97-K278 IonicContact OE2-NZ 2.77Å; E97-K278 PolarHBondContact OE2-NZ 2.85Å; L271-K278 HydrophobicContact CD1-CD 4.18Å; L271-K278 HydrophobicContact CD1-CG 3.61Å; V275-K278 PolarHBondContact O-N 2.94Å; K278-L280 PolarHBondContact O-N 2.94Å
279	P	94.5	Very high	88	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.183	C	C	.	.			trans	-53.2	135.7	172.1	-22.8	32.1	0	0	0	111.2	T90 T93 T95 M281 D282	T90-P279 CarbonylContact O-C 3.45Å; T90-P279 WeakPolarHBondContact O-CA 3.46Å; T93-P279 WeakPolarHBondContact O-CG 3.35Å; T95-P279 HydrophobicContact CG2-CG 4.4Å; P279-M281 VanDerWaalsContact C-N 3.27Å; P279-M281 PolarHBondContact O-N 3.47Å; P279-D282 WeakPolarHBondContact CD-OD2 3.39Å; P279-D282 WeakPolarHBondContact O-CB 3.46Å; P279-D282 PolarHBondContact O-N 2.82Å
280	L	93.7	Very high	86.3	Confident	3 Å²	3	38.4 Å²	38.4	2%	0.016	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-53.3	-46.2	-178.3	175.1	68.4	0	0	0	112.2	T90 F91 H131 L165 H166 K278 D282 N283 F284	T90-L280 PolarHBondContact O-N 3.04Å; F91-L280 HydrophobicContact CD2-CD2 3.84Å; F91-L280 HydrophobicContact CE2-CD2 4.05Å; F91-L280 PolarHBondContact O-N 2.86Å; H131-L280 HydrophobicContact CB-CD2 3.49Å; H131-L280 VanDerWaalsContact CB-CD2 3.49Å; L165-L280 WeakPolarHBondContact O-CD1 3.23Å; H166-L280 HydrophobicContact CB-CD1 3.93Å; K278-L280 PolarHBondContact O-N 2.94Å; L280-D282 PolarHBondContact O-N 3.27Å; L280-N283 WeakPolarHBondContact O-CB 3.24Å; L280-N283 PolarHBondContact O-N 3.33Å; L280-N283 VanDerWaalsContact O-N 3.16Å; L280-F284 HydrophobicContact CD1-CE2 4.01Å; L280-F284 HydrophobicContact CG-CE2 4.27Å; L280-F284 WeakPolarHBondContact O-CD2 3.31Å
281	M	91.2	Very high	84.5	Confident	8 Å²	8	37.2 Å²	37.2	4%	0.039	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-73.6	-12.3	-171.4	-66.1	-60.8	-70.2	0	0	113.4	F91 R92 Y243 P279 N283 F284 F286 F346	F91-M281 HydrophobicContact CD1-CG 3.74Å; F91-M281 HydrophobicContact CD2-CG 3.97Å; F91-M281 HydrophobicContact CD2-SD 4.39Å; F91-M281 HydrophobicContact CE1-CE 4.45Å; F91-M281 HydrophobicContact CE1-CG 3.42Å; F91-M281 VanDerWaalsContact CE1-CG 3.42Å; F91-M281 HydrophobicContact CE1-SD 4.06Å; F91-M281 HydrophobicContact CE2-CG 3.66Å; F91-M281 HydrophobicContact CE2-SD 3.58Å; F91-M281 VanDerWaalsContact CE2-SD 3.58Å; F91-M281 HydrophobicContact CG-CG 4Å; F91-M281 HydrophobicContact CZ-CE 4Å; F91-M281 HydrophobicContact CZ-CG 3.36Å; F91-M281 HydrophobicContact CZ-SD 3.38Å; F91-M281 WeakPolarHBondContact CZ-SD 3.24Å; F91-M281 WeakPolarHBondContact O-CB 3.41Å; F91-M281 VanDerWaalsContact O-CG 3.3Å; F91-M281 WeakPolarHBondContact O-CG 3.49Å; F91-M281 PolarHBondContact O-N 3.44Å; R92-M281 HydrophobicContact CG-CB 3.71Å; R92-M281 HydrophobicContact CG-CG 3.9Å; Y243-M281 HydrophobicContact CE2-SD 4.36Å; P279-M281 VanDerWaalsContact C-N 3.27Å; P279-M281 PolarHBondContact O-N 3.47Å; M281-N283 PolarHBondContact O-N 3.35Å; M281-F284 PolarHBondContact O-N 3.39Å; M281-F284 HydrophobicContact SD-CD2 4.4Å; M281-F286 HydrophobicContact CE-CD2 3.61Å; M281-F286 HydrophobicContact CE-CE2 3.19Å; M281-F286 HydrophobicContact CE-CZ 4.15Å; M281-F286 HydrophobicContact SD-CE2 4.32Å; M281-F346 HydrophobicContact CE-CD2 3.67Å; M281-F346 HydrophobicContact CE-CE2 3.69Å; M281-F346 HydrophobicContact CE-CG 4.18Å; M281-F346 HydrophobicContact CE-CZ 4.22Å
282	D	91	Very high	82.9	Confident	64 Å²	64	38.2 Å²	38.2	34%	0.342	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-67.7	-22.2	172.5	-66.8	-1.9	0	0	0	111.4	L267 P279 L280 F284	L267-D282 HydrophobicContact CD1-CB 3.51Å; L267-D282 VanDerWaalsContact CD1-O 3.25Å; L267-D282 WeakPolarHBondContact CD1-O 3.31Å; P279-D282 WeakPolarHBondContact CD-OD2 3.39Å; P279-D282 WeakPolarHBondContact O-CB 3.46Å; P279-D282 PolarHBondContact O-N 2.82Å; L280-D282 PolarHBondContact O-N 3.27Å; D282-F284 VanDerWaalsContact C-N 3.26Å
283	N	90.7	Very high	81.6	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-81.6	1.6	171.1	-65.3	111.7	0	0	0	113.4	F263 N264 V275 L280 M281	F263-N283 HydrophobicContact CD2-CB 4.42Å; F263-N283 WeakPolarHBondContact CD2-O 3.23Å; F263-N283 HydrophobicContact CE2-CB 4.14Å; N264-N283 PolarHBondContact N-O 3.17Å; V275-N283 WeakPolarHBondContact CG2-ND2 3.46Å; L280-N283 WeakPolarHBondContact O-CB 3.24Å; L280-N283 PolarHBondContact O-N 3.33Å; L280-N283 VanDerWaalsContact O-N 3.16Å; M281-N283 PolarHBondContact O-N 3.35Å
284	F	90	Very high	81	Confident	10 Å²	10	36.7 Å²	36.7	4%	0.044	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-130.3	119	-177.9	-65	-87.4	0	0	0	112.5	H166 L184 Y243 T262 F263 L280 M281 D282 F286	H166-F284 HydrophobicContact CB-CE2 4.17Å; H166-F284 HydrophobicContact CB-CZ 3.88Å; L184-F284 HydrophobicContact CD2-CZ 4.48Å; Y243-F284 HydrophobicContact CD2-CE1 4.39Å; Y243-F284 HydrophobicContact CD2-CE2 4.36Å; Y243-F284 HydrophobicContact CD2-CZ 4.27Å; T262-F284 CarbonylContact O-C 3.52Å; T262-F284 VanDerWaalsContact O-CA 3.24Å; T262-F284 WeakPolarHBondContact O-CA 3.36Å; F263-F284 HydrophobicContact CB-CD1 4.23Å; F263-F284 HydrophobicContact CB-CE1 3.99Å; F263-F284 HydrophobicContact CD2-CD1 4.48Å; F263-F284 AromaticContact CD2-CE1 4Å; F263-F284 HydrophobicContact CD2-CE1 4Å; F263-F284 HydrophobicContact CD2-CZ 4.11Å; F263-F284 HydrophobicContact CG-CE1 4.47Å; L280-F284 HydrophobicContact CD1-CE2 4.01Å; L280-F284 HydrophobicContact CG-CE2 4.27Å; L280-F284 WeakPolarHBondContact O-CD2 3.31Å; M281-F284 PolarHBondContact O-N 3.39Å; M281-F284 HydrophobicContact SD-CD2 4.4Å; D282-F284 VanDerWaalsContact C-N 3.26Å; F284-F286 HydrophobicContact CB-CD2 3.97Å; F284-F286 HydrophobicContact CB-CE2 3.55Å; F284-F286 HydrophobicContact CG-CE2 4.3Å; F284-F286 PolarHBondContact O-N 3.12Å
285	N	86	Confident	80.6	Confident	19 Å²	19	34 Å²	34	10%	0.102	18%	0.178	C	C	.	.			trans	-97.1	85.5	-179.5	-66.2	-24.2	0	0	0	111.4	T262 N264 E287 F288	T262-N285 PolarHBondContact O-N 3.49Å; N264-N285 WeakPolarHBondContact CB-ND2 3.16Å; N264-N285 VanDerWaalsContact CG-ND2 3.34Å; N264-N285 PolarHBondContact ND2-ND2 3.48Å; N264-N285 PolarHBondContact ND2-OD1 3.31Å; N285-E287 PolarHBondContact O-N 2.63Å; N285-F288 HydrophobicContact CB-CB 4.43Å; N285-F288 HydrophobicContact CB-CD2 3.28Å; N285-F288 HydrophobicContact CB-CE2 3.7Å; N285-F288 HydrophobicContact CB-CG 4.19Å; N285-F288 VanDerWaalsContact CG-CD2 3.45Å; N285-F288 VanDerWaalsContact CG-CE2 3.4Å; N285-F288 VanDerWaalsContact ND2-CD2 3.35Å; N285-F288 WeakPolarHBondContact ND2-CD2 3.5Å; N285-F288 WeakPolarHBondContact ND2-CE2 3.37Å
286	F	80.9	Confident	80.3	Confident	12 Å²	12	34.1 Å²	34.1	5%	0.053	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-16.1	178.4	-74.6	-87.4	0	0	0	114.4	Y243 T262 M281 F284 Q316 A342 I343 F346	Y243-F286 HydrophobicContact CD1-CZ 4.08Å; Y243-F286 AromaticContact CG-CZ 3.86Å; Y243-F286 HydrophobicContact CG-CZ 3.86Å; T262-F286 HydrophobicContact CG2-CD1 3.81Å; T262-F286 HydrophobicContact CG2-CE1 3.88Å; T262-F286 HydrophobicContact CG2-CG 4.38Å; T262-F286 HydrophobicContact CG2-CZ 4.46Å; M281-F286 HydrophobicContact CE-CD2 3.61Å; M281-F286 HydrophobicContact CE-CE2 3.19Å; M281-F286 HydrophobicContact CE-CZ 4.15Å; M281-F286 HydrophobicContact SD-CE2 4.32Å; F284-F286 HydrophobicContact CB-CD2 3.97Å; F284-F286 HydrophobicContact CB-CE2 3.55Å; F284-F286 HydrophobicContact CG-CE2 4.3Å; F284-F286 PolarHBondContact O-N 3.12Å; F286-Q316 HydrophobicContact CD1-CB 4.43Å; F286-Q316 PolarHBondContact O-OE1 2.83Å; F286-A342 HydrophobicContact CD1-CB 3.36Å; F286-A342 HydrophobicContact CE1-CB 3.61Å; F286-A342 HydrophobicContact CG-CB 4.14Å; F286-I343 HydrophobicContact CB-CG1 4.05Å; F286-F346 HydrophobicContact CD2-CE2 4.38Å; F286-F346 HydrophobicContact CE1-CE2 4.14Å; F286-F346 HydrophobicContact CE2-CD2 4.48Å; F286-F346 AromaticContact CE2-CE2 3.94Å; F286-F346 HydrophobicContact CE2-CE2 3.94Å; F286-F346 AromaticContact CZ-CE2 3.75Å; F286-F346 HydrophobicContact CZ-CE2 3.75Å; F286-F346 HydrophobicContact CZ-CZ 4.49Å
287	E	74	Confident	80.3	Confident	117 Å²	117	32.8 Å²	32.8	55%	0.547	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-12.6	-176.7	-61.5	178.7	-178.3	0	0	113.3	R232 N285 I343	R232-E287 IonicContact CZ-OE2 3Å; R232-E287 IonicContact NH1-OE2 3.02Å; R232-E287 PolarHBondContact NH1-OE2 2.77Å; R232-E287 IonicContact NH2-OE2 3.09Å; N285-E287 PolarHBondContact O-N 2.63Å; E287-I343 HydrophobicContact CG-CD1 4.11Å
288	F	68.5	Low	80.2	Confident	19 Å²	19	31.4 Å²	31.4	8%	0.083	17%	0.165	C	C	.	.	S	Bend	trans	-97.8	121.8	-174	-62.3	-38	0	0	0	112	R228 V234 N285 Y290 Q316	R228-F288 VanDerWaalsContact CZ-CE1 3.46Å; V234-F288 HydrophobicContact CG1-CD2 4.24Å; V234-F288 HydrophobicContact CG1-CE2 3.44Å; V234-F288 VanDerWaalsContact CG1-CE2 3.44Å; V234-F288 HydrophobicContact CG1-CZ 3.73Å; N285-F288 HydrophobicContact CB-CB 4.43Å; N285-F288 HydrophobicContact CB-CD2 3.28Å; N285-F288 HydrophobicContact CB-CE2 3.7Å; N285-F288 HydrophobicContact CB-CG 4.19Å; N285-F288 VanDerWaalsContact CG-CD2 3.45Å; N285-F288 VanDerWaalsContact CG-CE2 3.4Å; N285-F288 VanDerWaalsContact ND2-CD2 3.35Å; N285-F288 WeakPolarHBondContact ND2-CD2 3.5Å; N285-F288 WeakPolarHBondContact ND2-CE2 3.37Å; F288-Y290 VanDerWaalsContact C-N 3.3Å; F288-Y290 HydrophobicContact CB-CD2 3.75Å; F288-Y290 HydrophobicContact CB-CE2 3.34Å; F288-Y290 HydrophobicContact CD2-CE2 4.09Å; F288-Y290 HydrophobicContact CG-CE2 4.18Å; F288-Y290 WeakPolarHBondContact O-CD2 3.46Å; F288-Y290 PolarHBondContact O-N 3.47Å; F288-Q316 PolarHBondContact O-NE2 3.24Å
289	D	59.4	Low	80.1	Confident	108 Å²	108	29.8 Å²	29.8	58%	0.578	16%	0.158	S	C	*	.			trans	-77.3	72.8	-178.2	-166.2	-1.6	0	0	0	111.8	G291 K292	D289-G291 PolarHBondContact O-N 3.24Å; D289-G291 VanDerWaalsContact O-N 3.1Å; D289-K292 VanDerWaalsContact OD1-CE 3.26Å; D289-K292 WeakPolarHBondContact OD1-CE 3.47Å; D289-K292 WeakPolarHBondContact OD1-CG 3.23Å; D289-K292 WeakPolarHBondContact OD2-CE 3.23Å; D289-K292 IonicContact OD2-NZ 3.83Å
290	Y	60.2	Low	79.9	Confident	78 Å²	78	32.4 Å²	32.4	31%	0.306	17%	0.172	S	C	.	.	S	Bend	trans	-76.3	20.2	178.3	-68.6	-73.9	0	0	0	114.1	F235 G261 F288	F235-Y290 PolarHBondContact O-OH 2.82Å; F235-Y290 VanDerWaalsContact O-OH 3.12Å; G261-Y290 WeakPolarHBondContact O-CD2 3.38Å; G261-Y290 WeakPolarHBondContact O-CE2 3.22Å; F288-Y290 VanDerWaalsContact C-N 3.3Å; F288-Y290 HydrophobicContact CB-CD2 3.75Å; F288-Y290 HydrophobicContact CB-CE2 3.34Å; F288-Y290 HydrophobicContact CD2-CE2 4.09Å; F288-Y290 HydrophobicContact CG-CE2 4.18Å; F288-Y290 WeakPolarHBondContact O-CD2 3.46Å; F288-Y290 PolarHBondContact O-N 3.47Å
291	G	56.3	Low	79.6	Confident	49 Å²	49	34.8 Å²	34.8	51%	0.505	18%	0.182	S	C	.	.			trans	112.4	8	176.6	0	0	0	0	0	115.8	D289 T293	D289-G291 PolarHBondContact O-N 3.24Å; D289-G291 VanDerWaalsContact O-N 3.1Å; G291-T293 PolarHBondContact O-N 3.48Å
292	K	59.6	Low	79.3	Confident	74 Å²	74	43.3 Å²	43.3	32%	0.322	22%	0.221	S	C	.	.			trans	54.4	24.8	168.6	-46.4	-176.4	164.2	-153.6	0	116.7	D289 S313 T314	D289-K292 VanDerWaalsContact OD1-CE 3.26Å; D289-K292 WeakPolarHBondContact OD1-CE 3.47Å; D289-K292 WeakPolarHBondContact OD1-CG 3.23Å; D289-K292 WeakPolarHBondContact OD2-CE 3.23Å; D289-K292 IonicContact OD2-NZ 3.83Å; K292-S313 WeakPolarHBondContact CB-O 3.46Å; K292-S313 CarbonylContact O-C 3.58Å; K292-T314 VanDerWaalsContact CD-O 3.29Å; K292-T314 WeakPolarHBondContact CD-O 3.21Å; K292-T314 PolarHBondContact NZ-O 3.05Å
293	T	66.3	Low	79.1	Confident	48 Å²	48	43.8 Å²	43.8	29%	0.294	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	125.9	177.5	47.4	0	0	0	0	110.3	R260 G291	R260-T293 VanDerWaalsContact CB-O 3.31Å; R260-T293 WeakPolarHBondContact CB-O 3.46Å; G291-T293 PolarHBondContact O-N 3.48Å
294	L	77.3	Confident	78.7	Confident	3 Å²	3	47.6 Å²	47.6	2%	0.016	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	147.8	158.8	-67.3	167.4	0	0	0	107.3	I311 Q317 I319	L294-I311 HydrophobicContact CB-CB 3.97Å; L294-I311 HydrophobicContact CB-CD1 3.98Å; L294-I311 PolarHBondContact N-O 2.85Å; L294-I311 PolarHBondContact O-N 3.45Å; L294-Q317 HydrophobicContact CD1-CB 4.47Å; L294-Q317 HydrophobicContact CD2-CB 4.06Å; L294-I319 HydrophobicContact CD1-CD1 4.25Å; L294-I319 HydrophobicContact CD2-CD1 3.76Å; L294-I319 HydrophobicContact CG-CD1 4.46Å
295	E	84.5	Confident	78.5	Confident	7 Å²	7	53 Å²	53	3%	0.033	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	128.3	174.5	-170.6	-174.7	94.9	0	0	109.5	M258 R260 T297 F308 L309	M258-E295 HydrophobicContact CE-CB 4.3Å; M258-E295 VanDerWaalsContact CE-OE1 3.23Å; M258-E295 WeakPolarHBondContact CE-OE1 3.39Å; M258-E295 PolarHBondContact N-O 3.26Å; M258-E295 PolarHBondContact O-N 2.78Å; R260-E295 HydrophobicContact CB-CB 4.28Å; R260-E295 IonicContact CZ-OE2 3.87Å; R260-E295 IonicContact NE-OE2 3.59Å; R260-E295 IonicContact NH1-OE2 3.03Å; R260-E295 PolarHBondContact NH1-OE2 3.39Å; E295-T297 PolarHBondContact OE1-OG1 2.83Å; E295-T297 VanDerWaalsContact OE1-OG1 3.06Å; E295-F308 HydrophobicContact CG-CB 4.28Å; E295-F308 WeakPolarHBondContact OE1-CD1 3.49Å; E295-L309 WeakPolarHBondContact CA-O 3.39Å
296	A	86.3	Confident	78.4	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.008	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	111.2	160.8	0	0	0	0	0	108.6	L256 L309 I311	L256-A296 CarbonylContact O-C 3.56Å; L256-A296 WeakPolarHBondContact O-CA 3.02Å; A296-L309 HydrophobicContact CB-CB 4.31Å; A296-L309 PolarHBondContact N-O 2.81Å; A296-L309 PolarHBondContact O-N 2.83Å; A296-I311 HydrophobicContact CB-CD1 3.92Å; A296-I311 HydrophobicContact CB-CG1 4.5Å
297	T	89	Confident	78.6	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.012	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	116.2	168.4	-43	0	0	0	0	108.5	I215 I255 L256 E295 I299 V306 K307 F308	I215-T297 HydrophobicContact CD1-CG2 4.07Å; I255-T297 WeakPolarHBondContact CA-O 2.98Å; L256-T297 PolarHBondContact N-O 3.49Å; L256-T297 PolarHBondContact O-N 3.5Å; E295-T297 PolarHBondContact OE1-OG1 2.83Å; E295-T297 VanDerWaalsContact OE1-OG1 3.06Å; T297-I299 HydrophobicContact CG2-CG1 4.36Å; T297-V306 HydrophobicContact CG2-CG1 3.57Å; T297-K307 CarbonylContact C-O 3.58Å; T297-K307 WeakPolarHBondContact CA-O 3.47Å; T297-F308 HydrophobicContact CG2-CD1 3.82Å; T297-F308 HydrophobicContact CG2-CE1 3.71Å
298	V	91.1	Very high	79.3	Confident	3 Å²	3	54.7 Å²	54.7	2%	0.018	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	126.6	177.3	-177.6	0	0	0	0	109.1	Y253 I254 K307 L309 L333 V372 L374	Y253-V298 HydrophobicContact CD1-CG1 3.88Å; Y253-V298 HydrophobicContact CG-CG1 4.39Å; I254-V298 WeakPolarHBondContact O-CA 2.99Å; V298-K307 PolarHBondContact N-O 2.88Å; V298-K307 PolarHBondContact O-N 2.7Å; V298-L309 HydrophobicContact CG2-CD1 4.07Å; V298-L333 HydrophobicContact CG1-CD2 4.01Å; V298-L333 HydrophobicContact CG2-CD2 4.37Å; V298-V372 HydrophobicContact CG2-CG1 4.36Å; V298-V372 HydrophobicContact CG2-CG2 4.44Å; V298-L374 HydrophobicContact CG1-CD2 4.26Å
299	I	91.2	Very high	80.1	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	123.8	179.5	-46.6	175.8	0	0	0	108.6	V199 A213 I215 Y253 I254 T297 K301 Y305 V306	V199-I299 HydrophobicContact CB-CD1 4.43Å; V199-I299 HydrophobicContact CG2-CD1 3.64Å; A213-I299 HydrophobicContact CB-CD1 4.25Å; I215-I299 HydrophobicContact CD1-CD1 4.01Å; Y253-I299 CarbonylContact C-O 3.49Å; Y253-I299 VanDerWaalsContact CA-O 3.3Å; Y253-I299 WeakPolarHBondContact CA-O 3.21Å; I254-I299 HydrophobicContact CB-CB 4.13Å; I254-I299 PolarHBondContact N-O 2.78Å; I254-I299 PolarHBondContact O-N 3.47Å; T297-I299 HydrophobicContact CG2-CG1 4.36Å; I299-K301 PolarHBondContact O-N 3.44Å; I299-Y305 WeakPolarHBondContact CA-O 3.13Å; I299-V306 HydrophobicContact CG1-CG1 4.31Å; I299-V306 HydrophobicContact CG1-CG2 4.15Å; I299-V306 HydrophobicContact CG2-CG2 4.18Å
300	I	89.8	Confident	81.3	Confident	55 Å²	55	53.4 Å²	53.4	28%	0.282	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	119.5	173.4	-49.6	-173.8	0	0	0	107.8	Y253 Q302 S303 L304 Y305	Y253-I300 HydrophobicContact CD1-CG1 4.18Å; Y253-I300 HydrophobicContact CE1-CB 4.49Å; Y253-I300 HydrophobicContact CE1-CG1 3.92Å; Y253-I300 HydrophobicContact CE1-CG2 4.43Å; I300-Q302 VanDerWaalsContact C-N 3.3Å; I300-Q302 PolarHBondContact O-N 3.4Å; I300-S303 WeakPolarHBondContact CB-OG 3.5Å; I300-L304 WeakPolarHBondContact O-CA 3.26Å; I300-L304 PolarHBondContact O-N 3.1Å; I300-Y305 HydrophobicContact CD1-CD1 4.19Å; I300-Y305 PolarHBondContact N-O 3.48Å
301	K	89.1	Confident	82.2	Confident	52 Å²	52	49.9 Å²	49.9	23%	0.226	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-38.2	-175.6	-71.9	-175.7	-170.7	173.4	0	113.6	T250 E251 N252 Y253 I254 I299 L304	T250-K301 WeakPolarHBondContact O-CE 3.34Å; T250-K301 PolarHBondContact O-NZ 2.86Å; E251-K301 WeakPolarHBondContact O-CD 3.38Å; E251-K301 WeakPolarHBondContact O-CE 3.37Å; E251-K301 PolarHBondContact O-NZ 3.26Å; N252-K301 WeakPolarHBondContact O-CB 3.28Å; N252-K301 WeakPolarHBondContact O-CG 3.35Å; N252-K301 PolarHBondContact O-N 2.86Å; Y253-K301 WeakPolarHBondContact O-CE 3.29Å; I254-K301 HydrophobicContact CD1-CG 4.2Å; I254-K301 HydrophobicContact CG1-CG 3.88Å; I299-K301 PolarHBondContact O-N 3.44Å; K301-L304 WeakPolarHBondContact O-CD2 3.47Å
302	Q	85.1	Confident	83	Confident	187 Å²	187	53.1 Å²	53.1	87%	0.874	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-44.1	-173.2	-167.4	173.3	19.1	0	0	112.3	I300	I300-Q302 VanDerWaalsContact C-N 3.3Å; I300-Q302 PolarHBondContact O-N 3.4Å
303	S	86.1	Confident	83.4	Confident	75 Å²	75	50.7 Å²	50.7	52%	0.524	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-14.7	-179.2	61.7	0	0	0	0	113.6	I300 Y305	I300-S303 WeakPolarHBondContact CB-OG 3.5Å; S303-Y305 PolarHBondContact O-N 3.24Å; S303-Y305 VanDerWaalsContact O-N 3.17Å; S303-Y305 VanDerWaalsContact OG-CB 3.32Å; S303-Y305 WeakPolarHBondContact OG-CB 3.4Å; S303-Y305 PolarHBondContact OG-N 3Å
304	L	82.7	Confident	83.1	Confident	80 Å²	80	52.9 Å²	52.9	42%	0.419	28%	0.279	S	S	.	.			trans	56.8	20.1	-168.3	-55.6	170.8	0	0	0	113.2	V212 I300 K301 V306	V212-L304 WeakPolarHBondContact O-CD1 3.2Å; V212-L304 VanDerWaalsContact O-CD2 3.31Å; V212-L304 WeakPolarHBondContact O-CD2 3.31Å; I300-L304 WeakPolarHBondContact O-CA 3.26Å; I300-L304 PolarHBondContact O-N 3.1Å; K301-L304 WeakPolarHBondContact O-CD2 3.47Å; L304-V306 PolarHBondContact O-N 2.86Å
305	Y	85.3	Confident	82.1	Confident	124 Å²	124	59.3 Å²	59.3	49%	0.486	30%	0.304	S	S	.	.			trans	-65.5	130.5	173.6	-178.3	-99.1	0	0	0	109.6	I299 I300 S303 K307	I299-Y305 WeakPolarHBondContact CA-O 3.13Å; I300-Y305 HydrophobicContact CD1-CD1 4.19Å; I300-Y305 PolarHBondContact N-O 3.48Å; S303-Y305 PolarHBondContact O-N 3.24Å; S303-Y305 VanDerWaalsContact O-N 3.17Å; S303-Y305 VanDerWaalsContact OG-CB 3.32Å; S303-Y305 WeakPolarHBondContact OG-CB 3.4Å; S303-Y305 PolarHBondContact OG-N 3Å; Y305-K307 HydrophobicContact CE1-CB 4.31Å; Y305-K307 HydrophobicContact CE1-CD 4.12Å
306	V	84.3	Confident	81.3	Confident	36 Å²	36	60.1 Å²	60.1	22%	0.218	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	129.6	-176.1	-176.3	0	0	0	0	108.9	I215 T297 I299 L304 F308	I215-V306 HydrophobicContact CD1-CG1 3.78Å; I215-V306 HydrophobicContact CD1-CG2 4.19Å; I215-V306 HydrophobicContact CG1-CG1 4.16Å; I215-V306 HydrophobicContact CG1-CG2 4Å; T297-V306 HydrophobicContact CG2-CG1 3.57Å; I299-V306 HydrophobicContact CG1-CG1 4.31Å; I299-V306 HydrophobicContact CG1-CG2 4.15Å; I299-V306 HydrophobicContact CG2-CG2 4.18Å; L304-V306 PolarHBondContact O-N 2.86Å; V306-F308 HydrophobicContact CG1-CD1 4.44Å; V306-F308 HydrophobicContact CG1-CE1 3.79Å; V306-F308 HydrophobicContact CG1-CE2 4.3Å; V306-F308 HydrophobicContact CG1-CZ 3.71Å
307	K	85.5	Confident	80.8	Confident	52 Å²	52	61.2 Å²	61.2	23%	0.226	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	135.3	174.2	-166	73.6	-171	-171.9	0	110.3	T297 V298 Y305 L309 E377	T297-K307 CarbonylContact C-O 3.58Å; T297-K307 WeakPolarHBondContact CA-O 3.47Å; V298-K307 PolarHBondContact N-O 2.88Å; V298-K307 PolarHBondContact O-N 2.7Å; Y305-K307 HydrophobicContact CE1-CB 4.31Å; Y305-K307 HydrophobicContact CE1-CD 4.12Å; K307-L309 HydrophobicContact CG-CD2 3.88Å; K307-L309 HydrophobicContact CG-CG 4.22Å; K307-E377 VanDerWaalsContact CE-OE1 3.28Å; K307-E377 WeakPolarHBondContact CE-OE1 3.44Å; K307-E377 VanDerWaalsContact CE-OE2 3.29Å; K307-E377 WeakPolarHBondContact CE-OE2 3.25Å; K307-E377 IonicContact NZ-OE1 3.63Å; K307-E377 PolarHBondContact NZ-OE1 2.76Å; K307-E377 IonicContact NZ-OE2 3.33Å; K307-E377 PolarHBondContact NZ-OE2 3.2Å
308	F	86.7	Confident	80.4	Confident	95 Å²	95	61.2 Å²	61.2	42%	0.417	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	126.7	173	-51.4	-70.2	0	0	0	108.6	I215 E295 T297 V306	I215-F308 HydrophobicContact CG2-CE1 4.05Å; I215-F308 HydrophobicContact CG2-CZ 3.65Å; E295-F308 HydrophobicContact CG-CB 4.28Å; E295-F308 WeakPolarHBondContact OE1-CD1 3.49Å; T297-F308 HydrophobicContact CG2-CD1 3.82Å; T297-F308 HydrophobicContact CG2-CE1 3.71Å; V306-F308 HydrophobicContact CG1-CD1 4.44Å; V306-F308 HydrophobicContact CG1-CE1 3.79Å; V306-F308 HydrophobicContact CG1-CE2 4.3Å; V306-F308 HydrophobicContact CG1-CZ 3.71Å
309	L	86	Confident	80.1	Confident	9 Å²	9	61.4 Å²	61.4	5%	0.047	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	112.7	-179.6	-58.5	174.7	0	0	0	108.6	E295 A296 V298 K307 V372 E377 V379	E295-L309 WeakPolarHBondContact CA-O 3.39Å; A296-L309 HydrophobicContact CB-CB 4.31Å; A296-L309 PolarHBondContact N-O 2.81Å; A296-L309 PolarHBondContact O-N 2.83Å; V298-L309 HydrophobicContact CG2-CD1 4.07Å; K307-L309 HydrophobicContact CG-CD2 3.88Å; K307-L309 HydrophobicContact CG-CG 4.22Å; L309-V372 HydrophobicContact CD1-CB 4.26Å; L309-V372 HydrophobicContact CD1-CG1 3.38Å; L309-V372 HydrophobicContact CD1-CG2 3.96Å; L309-E377 HydrophobicContact CD2-CB 4.32Å; L309-E377 VanDerWaalsContact CD2-O 3.25Å; L309-E377 WeakPolarHBondContact CD2-O 3.39Å; L309-V379 HydrophobicContact CB-CB 4.28Å; L309-V379 HydrophobicContact CB-CG1 4.04Å; L309-V379 HydrophobicContact CD1-CB 4.46Å
310	D	84.1	Confident	79.9	Confident	92 Å²	92	61.8 Å²	61.8	49%	0.492	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	130	175.3	-68.4	-35.7	0	0	0	109.8	R260 V379	R260-D310 IonicContact CZ-OD1 3.2Å; R260-D310 IonicContact NH1-OD1 3.25Å; R260-D310 PolarHBondContact NH1-OD1 2.52Å; D310-V379 VanDerWaalsContact O-CG1 3.24Å; D310-V379 WeakPolarHBondContact O-CG1 3.42Å
311	I	79.8	Confident	80	Confident	4 Å²	4	60.2 Å²	60.2	2%	0.021	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.6	175.4	-52.8	151.1	0	0	0	107	L294 A296 S313 L370 V379 L381	L294-I311 HydrophobicContact CB-CB 3.97Å; L294-I311 HydrophobicContact CB-CD1 3.98Å; L294-I311 PolarHBondContact N-O 2.85Å; L294-I311 PolarHBondContact O-N 3.45Å; A296-I311 HydrophobicContact CB-CD1 3.92Å; A296-I311 HydrophobicContact CB-CG1 4.5Å; I311-S313 PolarHBondContact O-N 3.49Å; I311-S313 VanDerWaalsContact O-N 3.15Å; I311-L370 HydrophobicContact CD1-CD2 3.38Å; I311-L370 HydrophobicContact CG1-CD2 4.32Å; I311-V379 HydrophobicContact CB-CG1 4.18Å; I311-V379 HydrophobicContact CG1-CB 4.27Å; I311-V379 HydrophobicContact CG1-CG1 3.42Å; I311-V379 VanDerWaalsContact CG1-CG1 3.42Å; I311-V379 HydrophobicContact CG1-CG2 3.89Å; I311-L381 HydrophobicContact CG2-CB 4.04Å; I311-L381 HydrophobicContact CG2-CD2 4.23Å
312	S	72.9	Confident	80.2	Confident	117 Å²	117	58.6 Å²	58.6	82%	0.818	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.5	115.9	173.3	-62.7	0	0	0	0	110.2
313	S	68.6	Low	80.6	Confident	22 Å²	22	49.8 Å²	49.8	15%	0.154	26%	0.262	C	S	.	.			trans	-135	157.6	174.4	-176	0	0	0	0	110.5	K292 I311 Y315 Q317	K292-S313 WeakPolarHBondContact CB-O 3.46Å; K292-S313 CarbonylContact O-C 3.58Å; I311-S313 PolarHBondContact O-N 3.49Å; I311-S313 VanDerWaalsContact O-N 3.15Å; S313-Y315 PolarHBondContact OG-O 3.34Å; S313-Q317 PolarHBondContact OG-NE2 3.1Å
314	T	60.4	Low	81	Confident	94 Å²	94	46.4 Å²	46.4	58%	0.577	24%	0.239	S	C	*	.	S	Bend	trans	-94.3	-8.2	-179.4	34.2	0	0	0	0	114	K292	K292-T314 VanDerWaalsContact CD-O 3.29Å; K292-T314 WeakPolarHBondContact CD-O 3.21Å; K292-T314 PolarHBondContact NZ-O 3.05Å
315	Y	56.1	Low	81.5	Confident	138 Å²	138	42.8 Å²	42.8	54%	0.541	22%	0.22	S	C	.	.	S	Bend	trans	-147.6	159.3	-178.7	-63.1	-78.6	0	0	0	111.1	S313 Q317	S313-Y315 PolarHBondContact OG-O 3.34Å; Y315-Q317 WeakPolarHBondContact O-CG 3.48Å
316	Q	66.2	Low	82	Confident	24 Å²	24	38.8 Å²	38.8	11%	0.112	21%	0.205	C	C	.	.			trans	-73.8	129.4	166.5	-65.3	-173.4	-3.6	0	0	109.1	T262 F286 F288 A342	T262-Q316 VanDerWaalsContact CG2-CD 3.48Å; T262-Q316 HydrophobicContact CG2-CG 4.4Å; F286-Q316 HydrophobicContact CD1-CB 4.43Å; F286-Q316 PolarHBondContact O-OE1 2.83Å; F288-Q316 PolarHBondContact O-NE2 3.24Å; Q316-A342 PolarHBondContact O-N 2.82Å
317	Q	75.8	Confident	82.4	Confident	24 Å²	24	38.6 Å²	38.6	11%	0.112	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	141.3	-169.1	-61.5	173	-14.7	0	0	112.2	S259 L294 S313 Y315 I319 I339 Y340	S259-Q317 PolarHBondContact OG-O 3.16Å; L294-Q317 HydrophobicContact CD1-CB 4.47Å; L294-Q317 HydrophobicContact CD2-CB 4.06Å; S313-Q317 PolarHBondContact OG-NE2 3.1Å; Y315-Q317 WeakPolarHBondContact O-CG 3.48Å; Q317-I319 HydrophobicContact CB-CG1 4.29Å; Q317-I339 HydrophobicContact CB-CG2 3.92Å; Q317-I339 HydrophobicContact CG-CG2 3.79Å; Q317-Y340 CarbonylContact C-O 3.49Å; Q317-Y340 WeakPolarHBondContact CA-O 3.37Å; Q317-Y340 VanDerWaalsContact CB-O 3.26Å; Q317-Y340 WeakPolarHBondContact CB-O 3.26Å
318	Q	81.2	Confident	82.5	Confident	2 Å²	2	48 Å²	48	1%	0.009	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	126.6	161.9	169.4	65.6	-21.5	0	0	107.5	Y243 H245 Y340 A342 Y345 F346	Y243-Q318 VanDerWaalsContact CE1-OE1 3.23Å; H245-Q318 PolarHBondContact CD2-NE2 3.28Å; H245-Q318 PolarHBondContact CE1-NE2 3.31Å; H245-Q318 PolarHBondContact ND1-NE2 2.97Å; H245-Q318 VanDerWaalsContact ND1-NE2 3.11Å; H245-Q318 PolarHBondContact NE2-NE2 2.8Å; H245-Q318 VanDerWaalsContact NE2-NE2 3.11Å; Q318-Y340 HydrophobicContact CG-CD2 4.37Å; Q318-Y340 PolarHBondContact N-O 3.24Å; Q318-Y340 PolarHBondContact O-N 3.1Å; Q318-A342 HydrophobicContact CB-CB 4.12Å; Q318-Y345 HydrophobicContact CB-CD1 4.5Å; Q318-Y345 HydrophobicContact CB-CG 4.42Å; Q318-Y345 HydrophobicContact CG-CD1 3.84Å; Q318-Y345 HydrophobicContact CG-CE1 4.09Å; Q318-Y345 HydrophobicContact CG-CG 4.07Å; Q318-F346 HydrophobicContact CB-CZ 4.47Å; Q318-F346 HydrophobicContact CG-CZ 4.3Å
319	I	85.3	Confident	82.5	Confident	7 Å²	7	48 Å²	48	4%	0.036	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	121.6	-172.6	-51.9	176.6	0	0	0	109	H245 S246 A257 L294 Q317 L321 A337 F338 I339	H245-I319 WeakPolarHBondContact CB-O 3.22Å; S246-I319 PolarHBondContact OG-O 3.14Å; A257-I319 HydrophobicContact CB-CB 4.25Å; A257-I319 HydrophobicContact CB-CD1 3.69Å; A257-I319 HydrophobicContact CB-CG2 3.91Å; L294-I319 HydrophobicContact CD1-CD1 4.25Å; L294-I319 HydrophobicContact CD2-CD1 3.76Å; L294-I319 HydrophobicContact CG-CD1 4.46Å; Q317-I319 HydrophobicContact CB-CG1 4.29Å; I319-L321 HydrophobicContact CG2-CD2 3.91Å; I319-A337 HydrophobicContact CG2-CB 3.74Å; I319-F338 WeakPolarHBondContact CA-O 3.45Å; I319-I339 HydrophobicContact CG1-CG1 4.25Å; I319-I339 HydrophobicContact CG2-CG1 4.25Å
320	S	87.9	Confident	82.4	Confident	8 Å²	8	49.4 Å²	49.4	6%	0.056	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	109.6	170.4	-177.2	0	0	0	0	109.4	A337 F338	S320-A337 CarbonylContact O-C 3.53Å; S320-A337 VanDerWaalsContact O-CA 3.29Å; S320-A337 WeakPolarHBondContact O-CA 3.16Å; S320-F338 PolarHBondContact N-O 2.99Å; S320-F338 PolarHBondContact O-N 2.56Å
321	L	91.4	Very high	82.8	Confident	23 Å²	23	49.9 Å²	49.9	12%	0.12	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	134	179.7	-60.6	-178.8	0	0	0	110.6	S246 A248 A257 I319 V335 A337	S246-L321 VanDerWaalsContact OG-CG 3.31Å; S246-L321 WeakPolarHBondContact OG-CG 3.39Å; S246-L321 PolarHBondContact OG-N 3.38Å; A248-L321 HydrophobicContact CB-CD1 3.6Å; A257-L321 HydrophobicContact CB-CD2 4.1Å; I319-L321 HydrophobicContact CG2-CD2 3.91Å; L321-V335 HydrophobicContact CD2-CG1 3.57Å; L321-A337 HydrophobicContact CD2-CB 3.8Å
322	V	92.1	Very high	83.4	Confident	17 Å²	17	51.6 Å²	51.6	10%	0.103	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-55.9	-178.8	-179.4	0	0	0	0	111	D336 F338 P394 I396 I409	V322-D336 HydrophobicContact CB-CB 4.39Å; V322-D336 WeakPolarHBondContact CB-O 3.04Å; V322-D336 PolarHBondContact N-O 3.14Å; V322-F338 HydrophobicContact CG2-CD2 4.32Å; V322-P394 HydrophobicContact CB-CB 4.47Å; V322-P394 HydrophobicContact CG1-CB 4.22Å; V322-P394 HydrophobicContact CG2-CB 3.69Å; V322-P394 HydrophobicContact CG2-CG 4Å; V322-I396 HydrophobicContact CG1-CG2 3.76Å; V322-I409 HydrophobicContact CG1-CD1 3.94Å; V322-I409 HydrophobicContact CG1-CG1 3.97Å; V322-I409 HydrophobicContact CG1-CG2 4.17Å
323	N	93.6	Very high	84.5	Confident	3 Å²	3	46 Å²	46	2%	0.016	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	155.7	178.5	-158.7	4.4	0	0	0	109.4	V335 D336 I396 F400 G402 Y406	N323-V335 WeakPolarHBondContact O-CA 3.13Å; N323-D336 PolarHBondContact N-O 2.91Å; N323-D336 PolarHBondContact O-N 2.94Å; N323-I396 HydrophobicContact CB-CD1 4Å; N323-F400 PolarHBondContact ND2-O 3.22Å; N323-G402 PolarHBondContact OD1-N 3.23Å; N323-Y406 HydrophobicContact CB-CE1 4.07Å; N323-Y406 HydrophobicContact CB-CE2 4.22Å; N323-Y406 VanDerWaalsContact ND2-CD1 3.31Å; N323-Y406 WeakPolarHBondContact ND2-CD1 3.16Å; N323-Y406 WeakPolarHBondContact ND2-CE1 3.47Å
324	A	94.4	Very high	85.7	Confident	4 Å²	4	46.9 Å²	46.9	3%	0.033	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	140.9	169.8	0	0	0	0	0	109.3	A248 T250 I255 Y334 V335 G402	A248-A324 HydrophobicContact CB-CB 3.66Å; T250-A324 HydrophobicContact CG2-CB 3.68Å; I255-A324 HydrophobicContact CD1-CB 4.25Å; A324-Y334 CarbonylContact C-O 3.56Å; A324-Y334 WeakPolarHBondContact CA-O 3.49Å; A324-V335 HydrophobicContact CB-CB 4.5Å; A324-V335 HydrophobicContact CB-CG1 4.4Å; A324-V335 HydrophobicContact CB-CG2 4.01Å; A324-G402 VanDerWaalsContact O-CA 3.22Å; A324-G402 WeakPolarHBondContact O-CA 3.42Å
325	F	94.6	Very high	87.3	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.018	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	152.1	-176.9	57.5	-87.4	0	0	0	111.9	Y334 G402 K404 Y406	F325-Y334 AromaticContact CD2-CD2 3.72Å; F325-Y334 HydrophobicContact CD2-CD2 3.72Å; F325-Y334 HydrophobicContact CD2-CG 4.19Å; F325-Y334 VanDerWaalsContact CE2-CB 3.42Å; F325-Y334 AromaticContact CE2-CD2 3.25Å; F325-Y334 HydrophobicContact CE2-CD2 3.25Å; F325-Y334 HydrophobicContact CE2-CE2 4.13Å; F325-Y334 AromaticContact CE2-CG 3.51Å; F325-Y334 HydrophobicContact CE2-CG 3.51Å; F325-Y334 AromaticContact CZ-CD2 3.97Å; F325-Y334 HydrophobicContact CZ-CD2 3.97Å; F325-Y334 AromaticContact CZ-CG 3.71Å; F325-Y334 HydrophobicContact CZ-CG 3.71Å; F325-Y334 PolarHBondContact N-O 2.95Å; F325-Y334 PolarHBondContact O-N 3.34Å; F325-G402 WeakPolarHBondContact CB-O 3.14Å; F325-K404 VanDerWaalsContact CD2-CA 3.42Å; F325-K404 HydrophobicContact CD2-CB 3.51Å; F325-K404 HydrophobicContact CD2-CG 3.88Å; F325-K404 HydrophobicContact CE2-CB 3.87Å; F325-K404 HydrophobicContact CE2-CD 4.47Å; F325-K404 HydrophobicContact CE2-CG 3.7Å; F325-K404 HydrophobicContact CG-CB 4.28Å; F325-Y406 HydrophobicContact CD1-CD1 4.39Å; F325-Y406 AromaticContact CD1-CE1 3.99Å; F325-Y406 HydrophobicContact CD1-CE1 3.99Å; F325-Y406 HydrophobicContact CE1-CD1 4.28Å; F325-Y406 AromaticContact CE1-CE1 3.62Å; F325-Y406 HydrophobicContact CE1-CE1 3.62Å; F325-Y406 HydrophobicContact CZ-CE1 4.48Å
326	E	94.6	Very high	89	Confident	39 Å²	39	36 Å²	36	18%	0.182	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	144	-178.3	-65.8	170.5	-134.3	0	0	110.8	T250 E251 N252 Y253 L333	T250-E326 WeakPolarHBondContact CB-OE1 3.27Å; T250-E326 HydrophobicContact CG2-CG 4.35Å; T250-E326 PolarHBondContact OG1-OE1 2.83Å; E251-E326 PolarHBondContact N-OE1 2.76Å; N252-E326 WeakPolarHBondContact CB-OE2 3.37Å; N252-E326 PolarHBondContact N-OE1 3.08Å; N252-E326 PolarHBondContact ND2-OE2 3.01Å; Y253-E326 VanDerWaalsContact CD2-CD 3.45Å; Y253-E326 HydrophobicContact CD2-CG 3.76Å; Y253-E326 HydrophobicContact CE2-CG 3.96Å; Y253-E326 WeakPolarHBondContact CE2-OE2 3.43Å; E326-L333 HydrophobicContact CG-CD1 4.06Å
327	E	92.8	Very high	90.2	Very high	32 Å²	32	34.9 Å²	34.9	15%	0.15	16%	0.164	C	C	.	.			trans	-75	147.5	166.6	-171.6	59.4	-90.8	0	0	110.8	D329 G330 H332 Y334 K404	E327-D329 VanDerWaalsContact CB-OD1 3.26Å; E327-D329 WeakPolarHBondContact CB-OD1 3.4Å; E327-D329 HydrophobicContact CG-CB 4.34Å; E327-D329 VanDerWaalsContact CG-CG 3.49Å; E327-D329 WeakPolarHBondContact CG-OD1 3.46Å; E327-D329 PolarHBondContact O-N 3.18Å; E327-D329 VanDerWaalsContact O-N 3.15Å; E327-G330 PolarHBondContact O-N 3.01Å; E327-H332 HydrophobicContact CB-CB 3.83Å; E327-H332 WeakPolarHBondContact CB-O 3.46Å; E327-H332 HydrophobicContact CG-CB 4.48Å; E327-H332 PolarHBondContact N-O 3.36Å; E327-Y334 HydrophobicContact CB-CE2 4.06Å; E327-K404 WeakPolarHBondContact OE1-CD 3.49Å; E327-K404 IonicContact OE1-NZ 2.84Å; E327-K404 PolarHBondContact OE1-NZ 2.94Å; E327-K404 WeakPolarHBondContact OE2-CE 3.05Å; E327-K404 IonicContact OE2-NZ 2.66Å; E327-K404 PolarHBondContact OE2-NZ 3.04Å
328	R	87.7	Confident	90.9	Very high	249 Å²	249	33.7 Å²	33.7	94%	0.94	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-22.6	179.9	-69.2	-174.8	180	179.6	0.5	113.8	G330	R328-G330 PolarHBondContact O-N 3.41Å
329	D	86.4	Confident	91.3	Very high	95 Å²	95	34 Å²	34	51%	0.508	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-9.2	177.4	67.7	4	0	0	0	112.9	E327 R331 H332	E327-D329 VanDerWaalsContact CB-OD1 3.26Å; E327-D329 WeakPolarHBondContact CB-OD1 3.4Å; E327-D329 HydrophobicContact CG-CB 4.34Å; E327-D329 VanDerWaalsContact CG-CG 3.49Å; E327-D329 WeakPolarHBondContact CG-OD1 3.46Å; E327-D329 PolarHBondContact O-N 3.18Å; E327-D329 VanDerWaalsContact O-N 3.15Å; D329-R331 PolarHBondContact O-N 3.41Å; D329-R331 WeakPolarHBondContact OD1-CB 3.35Å; D329-R331 PolarHBondContact OD1-N 2.94Å; D329-H332 PolarHBondContact OD1-N 2.97Å; D329-H332 IonicContact OD1-ND1 3.99Å; D329-H332 IonicContact OD2-CE1 3.84Å; D329-H332 IonicContact OD2-ND1 4Å; D329-H332 PolarHBondContact OD2-ND1 2.93Å
330	G	85.5	Confident	91.4	Very high	40 Å²	40	33.8 Å²	33.8	41%	0.412	16%	0.159	S	C	.	.	S	Bend	trans	69.2	4.3	-176.1	0	0	0	0	0	114.3	E327 R328	E327-G330 PolarHBondContact O-N 3.01Å; R328-G330 PolarHBondContact O-N 3.41Å
331	R	90.6	Very high	91.3	Very high	102 Å²	102	35.9 Å²	35.9	39%	0.385	17%	0.169	S	C	.	.	S	Bend	trans	-93.2	-40.3	-177.8	176.6	175.6	174.9	-177	-3.2	112.1	D329 D373 L374 M375	D329-R331 PolarHBondContact O-N 3.41Å; D329-R331 WeakPolarHBondContact OD1-CB 3.35Å; D329-R331 PolarHBondContact OD1-N 2.94Å; R331-D373 WeakPolarHBondContact CG-OD1 3.22Å; R331-D373 IonicContact CZ-OD1 3.83Å; R331-D373 IonicContact CZ-OD2 2.8Å; R331-D373 IonicContact NE-OD1 2.77Å; R331-D373 PolarHBondContact NE-OD1 3.42Å; R331-D373 IonicContact NE-OD2 2.73Å; R331-D373 PolarHBondContact NE-OD2 2.54Å; R331-D373 IonicContact NH2-OD1 2.89Å; R331-D373 IonicContact NH2-OD2 3.76Å; R331-D373 PolarHBondContact NH2-OD2 3.06Å; R331-L374 WeakPolarHBondContact O-CB 3.43Å; R331-L374 WeakPolarHBondContact O-CG 3.14Å; R331-L374 PolarHBondContact O-N 3.3Å; R331-M375 HydrophobicContact CB-CG 4.47Å; R331-M375 HydrophobicContact CG-CB 4.22Å; R331-M375 HydrophobicContact CG-CG 3.87Å
332	H	93.8	Very high	91.1	Very high	40 Å²	40	34.8 Å²	34.8	19%	0.185	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	136	-173.4	-58.6	94.5	0	0	0	111.9	E327 D329 Y334 V372	E327-H332 HydrophobicContact CB-CB 3.83Å; E327-H332 WeakPolarHBondContact CB-O 3.46Å; E327-H332 HydrophobicContact CG-CB 4.48Å; E327-H332 PolarHBondContact N-O 3.36Å; D329-H332 PolarHBondContact OD1-N 2.97Å; D329-H332 IonicContact OD1-ND1 3.99Å; D329-H332 IonicContact OD2-CE1 3.84Å; D329-H332 IonicContact OD2-ND1 4Å; D329-H332 PolarHBondContact OD2-ND1 2.93Å; H332-Y334 HydrophobicContact CB-CE2 3.91Å; H332-V372 WeakPolarHBondContact CA-O 3.49Å
333	L	94.6	Very high	90.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	129.2	171.2	169.6	67.7	0	0	0	108.1	T250 Y253 I255 V298 E326 V335 V372	T250-L333 HydrophobicContact CG2-CD1 3.67Å; Y253-L333 HydrophobicContact CD2-CD1 4.41Å; Y253-L333 HydrophobicContact CD2-CD2 4.44Å; Y253-L333 HydrophobicContact CG-CD2 4.22Å; I255-L333 HydrophobicContact CD1-CD1 4.15Å; I255-L333 HydrophobicContact CD1-CD2 3.95Å; I255-L333 HydrophobicContact CG1-CD2 3.63Å; I255-L333 HydrophobicContact CG1-CG 4.46Å; V298-L333 HydrophobicContact CG1-CD2 4.01Å; V298-L333 HydrophobicContact CG2-CD2 4.37Å; E326-L333 HydrophobicContact CG-CD1 4.06Å; L333-V335 HydrophobicContact CG-CG2 4.46Å; L333-V372 HydrophobicContact CB-CB 4.14Å; L333-V372 PolarHBondContact N-O 2.95Å; L333-V372 PolarHBondContact O-N 2.99Å
334	Y	94.1	Very high	90.6	Very high	40 Å²	40	39.5 Å²	39.5	16%	0.157	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	138.1	-179.3	-61.1	-81	0	0	0	110	A324 F325 E327 H332 R369 L370 T371	A324-Y334 CarbonylContact C-O 3.56Å; A324-Y334 WeakPolarHBondContact CA-O 3.49Å; F325-Y334 AromaticContact CD2-CD2 3.72Å; F325-Y334 HydrophobicContact CD2-CD2 3.72Å; F325-Y334 HydrophobicContact CD2-CG 4.19Å; F325-Y334 VanDerWaalsContact CE2-CB 3.42Å; F325-Y334 AromaticContact CE2-CD2 3.25Å; F325-Y334 HydrophobicContact CE2-CD2 3.25Å; F325-Y334 HydrophobicContact CE2-CE2 4.13Å; F325-Y334 AromaticContact CE2-CG 3.51Å; F325-Y334 HydrophobicContact CE2-CG 3.51Å; F325-Y334 AromaticContact CZ-CD2 3.97Å; F325-Y334 HydrophobicContact CZ-CD2 3.97Å; F325-Y334 AromaticContact CZ-CG 3.71Å; F325-Y334 HydrophobicContact CZ-CG 3.71Å; F325-Y334 PolarHBondContact N-O 2.95Å; F325-Y334 PolarHBondContact O-N 3.34Å; E327-Y334 HydrophobicContact CB-CE2 4.06Å; H332-Y334 HydrophobicContact CB-CE2 3.91Å; Y334-R369 HydrophobicContact CD1-CG 4.08Å; Y334-L370 CarbonylContact C-O 3.54Å; Y334-L370 WeakPolarHBondContact CA-O 3.24Å; Y334-T371 HydrophobicContact CD1-CG2 3.97Å; Y334-T371 WeakPolarHBondContact CD1-OG1 3.06Å; Y334-T371 HydrophobicContact CE1-CG2 3.5Å; Y334-T371 WeakPolarHBondContact CE1-OG1 2.99Å
335	V	93.8	Very high	90.3	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.018	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	119.6	177	-174.6	0	0	0	0	108.8	I255 L321 N323 A324 L333 R369 L370	I255-V335 HydrophobicContact CB-CG2 4.47Å; I255-V335 HydrophobicContact CG1-CG2 4.18Å; I255-V335 HydrophobicContact CG2-CG2 4.17Å; L321-V335 HydrophobicContact CD2-CG1 3.57Å; N323-V335 WeakPolarHBondContact O-CA 3.13Å; A324-V335 HydrophobicContact CB-CB 4.5Å; A324-V335 HydrophobicContact CB-CG1 4.4Å; A324-V335 HydrophobicContact CB-CG2 4.01Å; L333-V335 HydrophobicContact CG-CG2 4.46Å; V335-R369 CarbonylContact O-C 3.49Å; V335-R369 WeakPolarHBondContact O-CA 3.35Å; V335-L370 HydrophobicContact CB-CB 4.21Å; V335-L370 HydrophobicContact CB-CD1 4.35Å; V335-L370 HydrophobicContact CG1-CD1 4.49Å; V335-L370 PolarHBondContact N-O 3.47Å; V335-L370 WeakPolarHBondContact O-CD1 3.42Å; V335-L370 PolarHBondContact O-N 3.42Å
336	D	93.1	Very high	89.9	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	136.7	176.7	-74.6	22.4	0	0	0	109.4	V322 N323 V368 R369 I384 Y406	V322-D336 HydrophobicContact CB-CB 4.39Å; V322-D336 WeakPolarHBondContact CB-O 3.04Å; V322-D336 PolarHBondContact N-O 3.14Å; N323-D336 PolarHBondContact N-O 2.91Å; N323-D336 PolarHBondContact O-N 2.94Å; D336-V368 CarbonylContact C-O 3.54Å; D336-V368 VanDerWaalsContact CA-O 3.25Å; D336-V368 WeakPolarHBondContact CA-O 3.49Å; D336-R369 WeakPolarHBondContact OD1-CG 3.47Å; D336-R369 IonicContact OD1-CZ 3.83Å; D336-R369 IonicContact OD1-NE 3.4Å; D336-R369 PolarHBondContact OD1-NE 3.48Å; D336-R369 IonicContact OD1-NH2 2.8Å; D336-R369 PolarHBondContact OD1-NH2 3.15Å; D336-R369 IonicContact OD2-CZ 2.74Å; D336-R369 IonicContact OD2-NE 3.75Å; D336-R369 PolarHBondContact OD2-NE 2.99Å; D336-R369 IonicContact OD2-NH2 3.65Å; D336-R369 PolarHBondContact OD2-NH2 3.03Å; D336-I384 VanDerWaalsContact OD2-CD1 3.28Å; D336-I384 WeakPolarHBondContact OD2-CD1 3.35Å; D336-Y406 WeakPolarHBondContact CB-OH 3.37Å; D336-Y406 PolarHBondContact OD2-OH 3.33Å
337	A	91.6	Very high	89.7	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	149.2	-174	0	0	0	0	0	112.4	I319 S320 L321 L367 V368 L370	I319-A337 HydrophobicContact CG2-CB 3.74Å; S320-A337 CarbonylContact O-C 3.53Å; S320-A337 VanDerWaalsContact O-CA 3.29Å; S320-A337 WeakPolarHBondContact O-CA 3.16Å; L321-A337 HydrophobicContact CD2-CB 3.8Å; A337-L367 WeakPolarHBondContact O-CA 3.41Å; A337-V368 HydrophobicContact CB-CG2 4.04Å; A337-V368 PolarHBondContact N-O 3.34Å; A337-V368 WeakPolarHBondContact O-CG2 3.37Å; A337-V368 PolarHBondContact O-N 3.19Å; A337-L370 HydrophobicContact CB-CD1 4.32Å
338	F	89.9	Confident	89.3	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	134.9	157.3	-78.3	-53.9	0	0	0	110.2	I319 S320 V322 Y340 A365 A366 L367 P394 A411 L425	I319-F338 WeakPolarHBondContact CA-O 3.45Å; S320-F338 PolarHBondContact N-O 2.99Å; S320-F338 PolarHBondContact O-N 2.56Å; V322-F338 HydrophobicContact CG2-CD2 4.32Å; F338-Y340 HydrophobicContact CB-CE2 3.7Å; F338-A365 HydrophobicContact CB-CB 4.34Å; F338-A365 HydrophobicContact CD1-CB 3.75Å; F338-A365 HydrophobicContact CE1-CB 4.36Å; F338-A365 HydrophobicContact CG-CB 4.26Å; F338-A366 CarbonylContact C-O 3.29Å; F338-A366 WeakPolarHBondContact CA-O 3.49Å; F338-L367 HydrophobicContact CD1-CB 3.96Å; F338-L367 HydrophobicContact CD1-CD1 4.21Å; F338-L367 HydrophobicContact CE1-CB 3.74Å; F338-L367 HydrophobicContact CE1-CD1 4.15Å; F338-L367 HydrophobicContact CE1-CG 4.36Å; F338-P394 HydrophobicContact CD2-CB 3.76Å; F338-P394 HydrophobicContact CD2-CG 3.72Å; F338-P394 HydrophobicContact CE2-CB 3.64Å; F338-P394 HydrophobicContact CE2-CG 4.09Å; F338-A411 HydrophobicContact CE2-CB 4.11Å; F338-A411 HydrophobicContact CZ-CB 4.22Å; F338-L425 HydrophobicContact CZ-CD1 4.04Å
339	I	89.3	Confident	89.2	Confident	8 Å²	8	27.4 Å²	27.4	4%	0.041	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	126.7	-175.3	-78.1	-167.3	0	0	0	109.2	Q317 I319 A365 A366 V368 L381	Q317-I339 HydrophobicContact CB-CG2 3.92Å; Q317-I339 HydrophobicContact CG-CG2 3.79Å; I319-I339 HydrophobicContact CG1-CG1 4.25Å; I319-I339 HydrophobicContact CG2-CG1 4.25Å; I339-A365 CarbonylContact O-C 3.42Å; I339-A365 VanDerWaalsContact O-CA 3.28Å; I339-A365 WeakPolarHBondContact O-CA 3.42Å; I339-A366 HydrophobicContact CB-CB 4.37Å; I339-A366 PolarHBondContact N-O 3.22Å; I339-A366 PolarHBondContact O-N 2.91Å; I339-V368 HydrophobicContact CD1-CB 4.32Å; I339-V368 HydrophobicContact CD1-CG1 4.06Å; I339-V368 HydrophobicContact CD1-CG2 3.38Å; I339-V368 HydrophobicContact CG1-CG1 4.49Å; I339-V368 HydrophobicContact CG1-CG2 3.77Å; I339-L381 HydrophobicContact CD1-CD1 4.34Å
340	Y	87.4	Confident	89.2	Confident	2 Å²	2	24.6 Å²	24.6	1%	0.008	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	153.3	-179.8	-52.5	-96.9	0	0	0	110.6	Q317 Q318 F338 A342 Y345 Y362 P363 A365 T391 D392	Q317-Y340 CarbonylContact C-O 3.49Å; Q317-Y340 WeakPolarHBondContact CA-O 3.37Å; Q317-Y340 VanDerWaalsContact CB-O 3.26Å; Q317-Y340 WeakPolarHBondContact CB-O 3.26Å; Q318-Y340 HydrophobicContact CG-CD2 4.37Å; Q318-Y340 PolarHBondContact N-O 3.24Å; Q318-Y340 PolarHBondContact O-N 3.1Å; F338-Y340 HydrophobicContact CB-CE2 3.7Å; Y340-A342 PolarHBondContact O-N 2.8Å; Y340-Y345 AromaticContact CD1-CD2 3.63Å; Y340-Y345 HydrophobicContact CD1-CD2 3.63Å; Y340-Y345 AromaticContact CD1-CE2 4Å; Y340-Y345 HydrophobicContact CD1-CE2 4Å; Y340-Y345 AromaticContact CD2-CD2 4Å; Y340-Y345 HydrophobicContact CD2-CD2 4Å; Y340-Y345 HydrophobicContact CD2-CE2 4.06Å; Y340-Y345 HydrophobicContact CE1-CD2 4.14Å; Y340-Y345 HydrophobicContact CE1-CE2 4.04Å; Y340-Y345 HydrophobicContact CE2-CE2 4.15Å; Y340-Y345 AromaticContact CG-CD2 3.55Å; Y340-Y345 HydrophobicContact CG-CD2 3.55Å; Y340-Y345 HydrophobicContact CG-CE2 4.01Å; Y340-Y345 HydrophobicContact CG-CG 4.41Å; Y340-Y362 HydrophobicContact CE1-CE1 4.03Å; Y340-P363 HydrophobicContact CD1-CB 4.3Å; Y340-A365 HydrophobicContact CD1-CB 3.84Å; Y340-A365 HydrophobicContact CE1-CB 3.29Å; Y340-A365 HydrophobicContact CE2-CB 4.36Å; Y340-T391 WeakPolarHBondContact CE1-O 3.41Å; Y340-T391 PolarHBondContact OH-O 2.88Å; Y340-D392 WeakPolarHBondContact OH-CA 3.13Å
341	D	86.7	Confident	89	Confident	52 Å²	52	22.9 Å²	22.9	28%	0.278	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	118.6	159.3	175.6	-104.9	0	0	0	109.1	I343 S344 Y345	D341-I343 VanDerWaalsContact C-N 3.34Å; D341-I343 PolarHBondContact O-N 3.02Å; D341-I343 PolarHBondContact OD1-N 2.97Å; D341-S344 PolarHBondContact O-N 2.76Å; D341-S344 VanDerWaalsContact OD1-CB 3.23Å; D341-S344 WeakPolarHBondContact OD1-CB 3.4Å; D341-S344 PolarHBondContact OD1-N 2.94Å; D341-S344 PolarHBondContact OD1-OG 2.79Å; D341-Y345 VanDerWaalsContact O-CB 3.29Å; D341-Y345 WeakPolarHBondContact O-CB 3.39Å; D341-Y345 PolarHBondContact O-N 2.82Å
342	A	87.2	Confident	88.5	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.4	-37.3	-171.3	0	0	0	0	0	112.9	F286 Q316 Q318 Y340 Y345 F346	F286-A342 HydrophobicContact CD1-CB 3.36Å; F286-A342 HydrophobicContact CE1-CB 3.61Å; F286-A342 HydrophobicContact CG-CB 4.14Å; Q316-A342 PolarHBondContact O-N 2.82Å; Q318-A342 HydrophobicContact CB-CB 4.12Å; Y340-A342 PolarHBondContact O-N 2.8Å; A342-Y345 PolarHBondContact O-N 3Å; A342-F346 HydrophobicContact CB-CD2 4.3Å; A342-F346 HydrophobicContact CB-CE2 4.01Å; A342-F346 WeakPolarHBondContact O-CD2 3.49Å; A342-F346 PolarHBondContact O-N 2.85Å
343	I	86.6	Confident	87.9	Confident	56 Å²	56	26.9 Å²	26.9	29%	0.287	14%	0.139	S	C	.	.	H	α-helix	trans	-64.9	-51.1	-179.8	-61.7	174	0	0	0	109.5	F286 E287 D341 Y345 N347	F286-I343 HydrophobicContact CB-CG1 4.05Å; E287-I343 HydrophobicContact CG-CD1 4.11Å; D341-I343 VanDerWaalsContact C-N 3.34Å; D341-I343 PolarHBondContact O-N 3.02Å; D341-I343 PolarHBondContact OD1-N 2.97Å; I343-Y345 VanDerWaalsContact C-N 3.29Å; I343-Y345 PolarHBondContact O-N 2.97Å; I343-N347 WeakPolarHBondContact CG2-ND2 3.19Å; I343-N347 WeakPolarHBondContact O-CB 3.49Å; I343-N347 VanDerWaalsContact O-CG 3.25Å; I343-N347 PolarHBondContact O-N 3.22Å; I343-N347 PolarHBondContact O-ND2 3.26Å
344	S	87.8	Confident	86.8	Confident	64 Å²	64	27 Å²	27	45%	0.448	14%	0.14	S	C	.	.	H	α-helix	trans	-59.5	-42.9	177.2	-55.3	0	0	0	0	111	D341 F348	D341-S344 PolarHBondContact O-N 2.76Å; D341-S344 VanDerWaalsContact OD1-CB 3.23Å; D341-S344 WeakPolarHBondContact OD1-CB 3.4Å; D341-S344 PolarHBondContact OD1-N 2.94Å; D341-S344 PolarHBondContact OD1-OG 2.79Å; S344-F348 WeakPolarHBondContact O-CB 3.2Å; S344-F348 PolarHBondContact O-N 3.14Å
345	Y	87.8	Confident	85.5	Confident	3 Å²	3	27 Å²	27	1%	0.012	14%	0.14	C	C	.	.	H	α-helix	trans	-59.9	-57.5	178.8	-169.6	-90.9	0	0	0	112.4	F46 Q318 Y340 D341 A342 I343 N347 F348 F349 Y362 P363 D392	F46-Y345 HydrophobicContact CZ-CE1 4.32Å; Q318-Y345 HydrophobicContact CB-CD1 4.5Å; Q318-Y345 HydrophobicContact CB-CG 4.42Å; Q318-Y345 HydrophobicContact CG-CD1 3.84Å; Q318-Y345 HydrophobicContact CG-CE1 4.09Å; Q318-Y345 HydrophobicContact CG-CG 4.07Å; Y340-Y345 AromaticContact CD1-CD2 3.63Å; Y340-Y345 HydrophobicContact CD1-CD2 3.63Å; Y340-Y345 AromaticContact CD1-CE2 4Å; Y340-Y345 HydrophobicContact CD1-CE2 4Å; Y340-Y345 AromaticContact CD2-CD2 4Å; Y340-Y345 HydrophobicContact CD2-CD2 4Å; Y340-Y345 HydrophobicContact CD2-CE2 4.06Å; Y340-Y345 HydrophobicContact CE1-CD2 4.14Å; Y340-Y345 HydrophobicContact CE1-CE2 4.04Å; Y340-Y345 HydrophobicContact CE2-CE2 4.15Å; Y340-Y345 AromaticContact CG-CD2 3.55Å; Y340-Y345 HydrophobicContact CG-CD2 3.55Å; Y340-Y345 HydrophobicContact CG-CE2 4.01Å; Y340-Y345 HydrophobicContact CG-CG 4.41Å; D341-Y345 VanDerWaalsContact O-CB 3.29Å; D341-Y345 WeakPolarHBondContact O-CB 3.39Å; D341-Y345 PolarHBondContact O-N 2.82Å; A342-Y345 PolarHBondContact O-N 3Å; I343-Y345 VanDerWaalsContact C-N 3.29Å; I343-Y345 PolarHBondContact O-N 2.97Å; Y345-N347 PolarHBondContact O-N 2.88Å; Y345-F348 WeakPolarHBondContact O-CB 3.22Å; Y345-F348 PolarHBondContact O-N 3.25Å; Y345-F349 HydrophobicContact CD1-CD2 4.38Å; Y345-F349 HydrophobicContact CD1-CE2 4.15Å; Y345-F349 HydrophobicContact CE1-CD2 4.18Å; Y345-F349 AromaticContact CE1-CE2 3.66Å; Y345-F349 HydrophobicContact CE1-CE2 3.66Å; Y345-F349 HydrophobicContact CE2-CE2 4.16Å; Y345-F349 AromaticContact CZ-CE2 3.67Å; Y345-F349 VanDerWaalsContact O-CD2 3.26Å; Y345-F349 WeakPolarHBondContact O-CD2 3.44Å; Y345-Y362 WeakPolarHBondContact CE2-OH 3.46Å; Y345-P363 HydrophobicContact CD2-CB 4.45Å; Y345-D392 VanDerWaalsContact CE2-OD2 3.22Å; Y345-D392 WeakPolarHBondContact CE2-OD2 3.32Å; Y345-D392 PolarHBondContact OH-OD2 2.9Å
346	F	87.5	Confident	84.2	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-70	-34.4	-176.9	-62.3	-52.7	0	0	0	112.4	H44 F46 F91 Y243 M281 F286 Q318 A342 F348 F349	H44-F346 PolarHBondContact NE2-O 2.81Å; H44-F346 VanDerWaalsContact NE2-O 3.08Å; F46-F346 HydrophobicContact CE2-CD1 4.26Å; F46-F346 HydrophobicContact CE2-CE1 4.48Å; F91-F346 AromaticContact CE1-CD1 3.84Å; F91-F346 HydrophobicContact CE1-CD1 3.84Å; F91-F346 HydrophobicContact CE1-CE1 4.33Å; F91-F346 HydrophobicContact CE1-CG 4.38Å; F91-F346 AromaticContact CZ-CD1 3.62Å; F91-F346 HydrophobicContact CZ-CD1 3.62Å; F91-F346 AromaticContact CZ-CE1 3.63Å; F91-F346 HydrophobicContact CZ-CE1 3.63Å; F91-F346 HydrophobicContact CZ-CG 4.34Å; F91-F346 HydrophobicContact CZ-CZ 4.35Å; Y243-F346 HydrophobicContact CD1-CZ 4.31Å; Y243-F346 AromaticContact CE1-CZ 3.8Å; Y243-F346 HydrophobicContact CE1-CZ 3.8Å; M281-F346 HydrophobicContact CE-CD2 3.67Å; M281-F346 HydrophobicContact CE-CE2 3.69Å; M281-F346 HydrophobicContact CE-CG 4.18Å; M281-F346 HydrophobicContact CE-CZ 4.22Å; F286-F346 HydrophobicContact CD2-CE2 4.38Å; F286-F346 HydrophobicContact CE1-CE2 4.14Å; F286-F346 HydrophobicContact CE2-CD2 4.48Å; F286-F346 AromaticContact CE2-CE2 3.94Å; F286-F346 HydrophobicContact CE2-CE2 3.94Å; F286-F346 AromaticContact CZ-CE2 3.75Å; F286-F346 HydrophobicContact CZ-CE2 3.75Å; F286-F346 HydrophobicContact CZ-CZ 4.49Å; Q318-F346 HydrophobicContact CB-CZ 4.47Å; Q318-F346 HydrophobicContact CG-CZ 4.3Å; A342-F346 HydrophobicContact CB-CD2 4.3Å; A342-F346 HydrophobicContact CB-CE2 4.01Å; A342-F346 WeakPolarHBondContact O-CD2 3.49Å; A342-F346 PolarHBondContact O-N 2.85Å; F346-F348 VanDerWaalsContact C-N 3.3Å; F346-F348 PolarHBondContact O-N 2.94Å; F346-F349 PolarHBondContact O-N 3.01Å
347	N	88.8	Confident	82.1	Confident	52 Å²	52	36.9 Å²	36.9	28%	0.278	19%	0.191	S	C	.	.	H	α-helix	trans	-68.8	-30.1	177.9	-73.6	-13.7	0	0	0	112.6	R92 I343 Y345 F349 N350 N353	R92-N347 PolarHBondContact NH1-OD1 3.17Å; I343-N347 WeakPolarHBondContact CG2-ND2 3.19Å; I343-N347 WeakPolarHBondContact O-CB 3.49Å; I343-N347 VanDerWaalsContact O-CG 3.25Å; I343-N347 PolarHBondContact O-N 3.22Å; I343-N347 PolarHBondContact O-ND2 3.26Å; Y345-N347 PolarHBondContact O-N 2.88Å; N347-F349 PolarHBondContact O-N 3.2Å; N347-N350 WeakPolarHBondContact CA-ND2 3.18Å; N347-N350 WeakPolarHBondContact O-CB 3.2Å; N347-N350 PolarHBondContact O-N 2.66Å; N347-N350 VanDerWaalsContact O-N 3.12Å; N347-N350 PolarHBondContact O-ND2 2.77Å; N347-N353 PolarHBondContact O-ND2 2.97Å
348	F	85.8	Confident	80.5	Confident	19 Å²	19	41.5 Å²	41.5	8%	0.083	22%	0.224	C	C	.	.	H	α-helix	trans	-55.6	-37.8	174	179.8	-91.8	0	0	0	111.8	S344 Y345 F346 N350 L354 D360 Y362 P363 F416	S344-F348 WeakPolarHBondContact O-CB 3.2Å; S344-F348 PolarHBondContact O-N 3.14Å; Y345-F348 WeakPolarHBondContact O-CB 3.22Å; Y345-F348 PolarHBondContact O-N 3.25Å; F346-F348 VanDerWaalsContact C-N 3.3Å; F346-F348 PolarHBondContact O-N 2.94Å; F348-N350 VanDerWaalsContact C-N 3.29Å; F348-N350 PolarHBondContact O-N 3.32Å; F348-L354 HydrophobicContact CD1-CD2 4.03Å; F348-L354 HydrophobicContact CE1-CD2 3.53Å; F348-L354 HydrophobicContact CZ-CD2 3.94Å; F348-L354 WeakPolarHBondContact O-CD2 3.49Å; F348-L354 WeakPolarHBondContact O-CG 3.31Å; F348-D360 WeakPolarHBondContact CE2-O 3.48Å; F348-Y362 AromaticContact CD1-CD2 3.96Å; F348-Y362 HydrophobicContact CD1-CD2 3.96Å; F348-Y362 AromaticContact CD1-CE2 3.88Å; F348-Y362 HydrophobicContact CD1-CE2 3.88Å; F348-Y362 AromaticContact CE1-CD2 3.48Å; F348-Y362 HydrophobicContact CE1-CD2 3.48Å; F348-Y362 VanDerWaalsContact CE1-CD2 3.48Å; F348-Y362 AromaticContact CE1-CE2 3.66Å; F348-Y362 HydrophobicContact CE1-CE2 3.66Å; F348-Y362 HydrophobicContact CE2-CD2 4.2Å; F348-Y362 AromaticContact CZ-CD2 3.62Å; F348-Y362 HydrophobicContact CZ-CD2 3.62Å; F348-Y362 HydrophobicContact CZ-CE2 4.28Å; F348-P363 HydrophobicContact CB-CG 3.68Å; F348-P363 HydrophobicContact CD2-CG 4.24Å; F348-P363 HydrophobicContact CG-CG 3.97Å; F348-F416 HydrophobicContact CE1-CB 4.2Å; F348-F416 AromaticContact CE1-CD2 3.63Å; F348-F416 HydrophobicContact CE1-CD2 3.63Å; F348-F416 HydrophobicContact CE1-CE2 4.34Å; F348-F416 HydrophobicContact CE1-CG 4.06Å; F348-F416 HydrophobicContact CZ-CB 4.03Å; F348-F416 HydrophobicContact CZ-CD2 4.19Å; F348-F416 HydrophobicContact CZ-CG 4.39Å
349	F	85	Confident	79.3	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	4.1	-179.1	-69.9	-73.1	0	0	0	115.2	H44 F45 F46 Y345 F346 N347 L351 Y362 F416	H44-F349 VanDerWaalsContact CE1-CB 3.46Å; H44-F349 WeakPolarHBondContact CE1-CB 3.2Å; F45-F349 HydrophobicContact CB-CB 4.18Å; F45-F349 HydrophobicContact CB-CD1 4.14Å; F45-F349 WeakPolarHBondContact CB-O 3.14Å; F45-F349 AromaticContact CD1-CD1 3.72Å; F45-F349 HydrophobicContact CD1-CD1 3.72Å; F45-F349 HydrophobicContact CD1-CE1 4.1Å; F45-F349 HydrophobicContact CG-CD1 4.31Å; F45-F349 PolarHBondContact N-O 2.95Å; F46-F349 HydrophobicContact CD1-CD1 4.46Å; F46-F349 HydrophobicContact CD1-CG 4.47Å; F46-F349 HydrophobicContact CE1-CB 4.3Å; F46-F349 AromaticContact CE1-CD1 3.68Å; F46-F349 HydrophobicContact CE1-CD1 3.68Å; F46-F349 AromaticContact CE1-CD2 3.96Å; F46-F349 HydrophobicContact CE1-CD2 3.96Å; F46-F349 AromaticContact CE1-CE1 3.88Å; F46-F349 HydrophobicContact CE1-CE1 3.88Å; F46-F349 HydrophobicContact CE1-CE2 4.19Å; F46-F349 AromaticContact CE1-CG 3.71Å; F46-F349 HydrophobicContact CE1-CG 3.71Å; F46-F349 HydrophobicContact CE1-CZ 4.13Å; F46-F349 HydrophobicContact CE2-CD2 4.13Å; F46-F349 HydrophobicContact CE2-CG 4.39Å; F46-F349 HydrophobicContact CZ-CB 4.29Å; F46-F349 HydrophobicContact CZ-CD1 4.04Å; F46-F349 AromaticContact CZ-CD2 3.43Å; F46-F349 HydrophobicContact CZ-CD2 3.43Å; F46-F349 VanDerWaalsContact CZ-CD2 3.43Å; F46-F349 HydrophobicContact CZ-CE1 4.2Å; F46-F349 AromaticContact CZ-CE2 3.66Å; F46-F349 HydrophobicContact CZ-CE2 3.66Å; F46-F349 AromaticContact CZ-CG 3.65Å; F46-F349 HydrophobicContact CZ-CG 3.65Å; F46-F349 HydrophobicContact CZ-CZ 4.02Å; Y345-F349 HydrophobicContact CD1-CD2 4.38Å; Y345-F349 HydrophobicContact CD1-CE2 4.15Å; Y345-F349 HydrophobicContact CE1-CD2 4.18Å; Y345-F349 AromaticContact CE1-CE2 3.66Å; Y345-F349 HydrophobicContact CE1-CE2 3.66Å; Y345-F349 HydrophobicContact CE2-CE2 4.16Å; Y345-F349 AromaticContact CZ-CE2 3.67Å; Y345-F349 VanDerWaalsContact O-CD2 3.26Å; Y345-F349 WeakPolarHBondContact O-CD2 3.44Å; F346-F349 PolarHBondContact O-N 3.01Å; N347-F349 PolarHBondContact O-N 3.2Å; F349-L351 PolarHBondContact O-N 3Å; F349-Y362 HydrophobicContact CE2-CE2 4.47Å; F349-Y362 AromaticContact CZ-CE2 3.99Å; F349-Y362 HydrophobicContact CZ-CE2 3.99Å; F349-Y362 WeakPolarHBondContact CZ-OH 3.09Å; F349-F416 HydrophobicContact CE1-CD2 4.37Å; F349-F416 AromaticContact CE1-CE2 3.5Å; F349-F416 HydrophobicContact CE1-CE2 3.5Å; F349-F416 AromaticContact CE1-CZ 3.62Å; F349-F416 HydrophobicContact CE1-CZ 3.62Å; F349-F416 AromaticContact CZ-CE2 3.96Å; F349-F416 HydrophobicContact CZ-CE2 3.96Å; F349-F416 HydrophobicContact CZ-CZ 4.44Å
350	N	86.4	Confident	78.3	Confident	36 Å²	36	49.8 Å²	49.8	19%	0.193	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-63	131.7	165	-69.6	-38.9	0	0	0	108.9	H44 N347 F348 Q352 N353 L354	H44-N350 PolarHBondContact CD2-OD1 3.14Å; N347-N350 WeakPolarHBondContact CA-ND2 3.18Å; N347-N350 WeakPolarHBondContact O-CB 3.2Å; N347-N350 PolarHBondContact O-N 2.66Å; N347-N350 VanDerWaalsContact O-N 3.12Å; N347-N350 PolarHBondContact O-ND2 2.77Å; F348-N350 VanDerWaalsContact C-N 3.29Å; F348-N350 PolarHBondContact O-N 3.32Å; N350-Q352 PolarHBondContact O-N 2.93Å; N350-N353 HydrophobicContact CB-CB 4.35Å; N350-N353 WeakPolarHBondContact O-CB 3.49Å; N350-N353 PolarHBondContact O-N 3.16Å; N350-L354 PolarHBondContact O-N 3.14Å
351	L	80.4	Confident	77.9	Confident	4 Å²	4	52.9 Å²	52.9	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-61.3	-35.8	-176.4	-67	-167.4	0	0	0	112.2	V32 P40 V42 S43 F45 F349 N353 L354 Y355 L549	V32-L351 HydrophobicContact CB-CD1 3.92Å; V32-L351 HydrophobicContact CG1-CD1 3.67Å; V32-L351 HydrophobicContact CG1-CD2 4.46Å; V32-L351 HydrophobicContact CG2-CD1 4.4Å; P40-L351 HydrophobicContact CB-CD1 3.6Å; P40-L351 HydrophobicContact CG-CD1 3.92Å; V42-L351 HydrophobicContact CG2-CD1 4.13Å; V42-L351 VanDerWaalsContact O-CD1 3.28Å; V42-L351 WeakPolarHBondContact O-CD1 3.22Å; S43-L351 PolarHBondContact O-N 2.86Å; F45-L351 HydrophobicContact CB-CD2 3.95Å; F45-L351 HydrophobicContact CD2-CD2 4.29Å; F349-L351 PolarHBondContact O-N 3Å; L351-N353 PolarHBondContact O-N 3.2Å; L351-L354 HydrophobicContact CD2-CD1 4.09Å; L351-L354 PolarHBondContact O-N 3.07Å; L351-Y355 HydrophobicContact CB-CD2 4.46Å; L351-Y355 HydrophobicContact CB-CE2 4.31Å; L351-Y355 WeakPolarHBondContact O-CB 3.27Å; L351-Y355 WeakPolarHBondContact O-CD2 3.48Å; L351-Y355 PolarHBondContact O-N 3.38Å; L351-L549 HydrophobicContact CD1-CD1 4.44Å; L351-L549 HydrophobicContact CD2-CD1 3.54Å; L351-L549 HydrophobicContact CD2-CD2 4.32Å
352	Q	82	Confident	77.8	Confident	165 Å²	165	50.4 Å²	50.4	77%	0.771	27%	0.272	S	S	*	.	H	α-helix	trans	-57.7	-36.9	174.5	-173.8	177.4	4.3	0	0	112.4	N350 S356	N350-Q352 PolarHBondContact O-N 2.93Å; Q352-S356 PolarHBondContact O-N 3.11Å; Q352-S356 VanDerWaalsContact O-N 3.14Å
353	N	80.1	Confident	77.8	Confident	60 Å²	60	51.1 Å²	51.1	32%	0.321	28%	0.276	S	S	.	.	H	α-helix	trans	-76.7	-44.8	179.4	-67.9	-11.8	0	0	0	111	N347 N350 L351 Y355 S356	N347-N353 PolarHBondContact O-ND2 2.97Å; N350-N353 HydrophobicContact CB-CB 4.35Å; N350-N353 WeakPolarHBondContact O-CB 3.49Å; N350-N353 PolarHBondContact O-N 3.16Å; L351-N353 PolarHBondContact O-N 3.2Å; N353-Y355 PolarHBondContact O-N 3.18Å; N353-S356 WeakPolarHBondContact O-CB 3.11Å; N353-S356 PolarHBondContact O-N 3.06Å; N353-S356 VanDerWaalsContact O-N 3.11Å; N353-S356 PolarHBondContact O-OG 2.78Å
354	L	71.3	Confident	78	Confident	4 Å²	4	55.9 Å²	55.9	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-59.4	-29	174.2	-68.3	177	0	0	0	112.8	F45 F348 N350 L351 K359 F416 L549	F45-L354 HydrophobicContact CB-CD1 3.83Å; F45-L354 HydrophobicContact CD2-CD1 4.37Å; F45-L354 HydrophobicContact CG-CD1 4.1Å; F348-L354 HydrophobicContact CD1-CD2 4.03Å; F348-L354 HydrophobicContact CE1-CD2 3.53Å; F348-L354 HydrophobicContact CZ-CD2 3.94Å; F348-L354 WeakPolarHBondContact O-CD2 3.49Å; F348-L354 WeakPolarHBondContact O-CG 3.31Å; N350-L354 PolarHBondContact O-N 3.14Å; L351-L354 HydrophobicContact CD2-CD1 4.09Å; L351-L354 PolarHBondContact O-N 3.07Å; L354-K359 WeakPolarHBondContact O-CD 3.46Å; L354-K359 WeakPolarHBondContact O-CE 3.37Å; L354-K359 PolarHBondContact O-NZ 3.47Å; L354-K359 VanDerWaalsContact O-NZ 3.1Å; L354-F416 HydrophobicContact CD2-CB 4.49Å; L354-F416 HydrophobicContact CD2-CD1 4.44Å; L354-F416 HydrophobicContact CD2-CG 4.35Å; L354-L549 HydrophobicContact CB-CD2 4.37Å; L354-L549 HydrophobicContact CD1-CD2 3.68Å
355	Y	67	Low	78	Confident	39 Å²	39	52.9 Å²	52.9	15%	0.153	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-7.4	179.5	-69	-9.5	0	0	0	114.6	P40 L351 N353 L545 L546 L549	P40-Y355 HydrophobicContact CG-CD2 4.39Å; P40-Y355 HydrophobicContact CG-CE2 3.46Å; P40-Y355 VanDerWaalsContact CG-CE2 3.46Å; L351-Y355 HydrophobicContact CB-CD2 4.46Å; L351-Y355 HydrophobicContact CB-CE2 4.31Å; L351-Y355 WeakPolarHBondContact O-CB 3.27Å; L351-Y355 WeakPolarHBondContact O-CD2 3.48Å; L351-Y355 PolarHBondContact O-N 3.38Å; N353-Y355 PolarHBondContact O-N 3.18Å; Y355-L545 VanDerWaalsContact CA-CD2 3.45Å; Y355-L545 HydrophobicContact CD1-CB 3.78Å; Y355-L545 HydrophobicContact CD1-CD2 3.41Å; Y355-L545 VanDerWaalsContact CD1-CD2 3.41Å; Y355-L545 HydrophobicContact CD1-CG 3.47Å; Y355-L545 VanDerWaalsContact CD1-CG 3.47Å; Y355-L545 HydrophobicContact CD2-CD2 4.15Å; Y355-L545 HydrophobicContact CE1-CB 3.8Å; Y355-L545 HydrophobicContact CE1-CD2 4.19Å; Y355-L545 HydrophobicContact CE1-CG 4.03Å; Y355-L545 HydrophobicContact CG-CB 4.46Å; Y355-L545 HydrophobicContact CG-CD2 3.39Å; Y355-L545 HydrophobicContact CG-CG 4.02Å; Y355-L546 WeakPolarHBondContact OH-CD2 3.36Å; Y355-L546 WeakPolarHBondContact OH-CG 3.35Å; Y355-L549 HydrophobicContact CE1-CD1 3.52Å; Y355-L549 HydrophobicContact CE1-CD2 4.27Å; Y355-L549 HydrophobicContact CE1-CG 3.76Å; Y355-L549 WeakPolarHBondContact OH-CD1 3.31Å
356	S	67	Low	78.1	Confident	34 Å²	34	53 Å²	53	24%	0.238	27%	0.271	C	S	.	.			trans	-65	141.7	179.1	73	0	0	0	0	110.4	Q352 N353 S358 K359	Q352-S356 PolarHBondContact O-N 3.11Å; Q352-S356 VanDerWaalsContact O-N 3.14Å; N353-S356 WeakPolarHBondContact O-CB 3.11Å; N353-S356 PolarHBondContact O-N 3.06Å; N353-S356 VanDerWaalsContact O-N 3.11Å; N353-S356 PolarHBondContact O-OG 2.78Å; S356-S358 PolarHBondContact O-N 3.02Å; S356-S358 PolarHBondContact OG-O 3.43Å; S356-K359 WeakPolarHBondContact O-CG 3.49Å; S356-K359 PolarHBondContact O-N 3.26Å
357	M	49.2	Very low	78.2	Confident	176 Å²	176	53.1 Å²	53.1	87%	0.867	27%	0.272	S	S	*	.	S	Bend	trans	-65.8	-28.4	176.9	-59.8	-164.8	-33.5	0	0	112
358	S	56.6	Low	78.2	Confident	97 Å²	97	50.7 Å²	50.7	68%	0.678	26%	0.259	S	S	*	.	S	Bend	trans	-100.6	71.3	170.5	61.9	0	0	0	0	109.1	S356 D360	S356-S358 PolarHBondContact O-N 3.02Å; S356-S358 PolarHBondContact OG-O 3.43Å; S358-D360 PolarHBondContact O-N 2.67Å
359	K	65.1	Low	78.5	Confident	69 Å²	69	52.3 Å²	52.3	30%	0.3	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-57.6	119.5	176.6	-61	-167.1	-165.6	-164.6	0	108.2	L354 S356 D548	L354-K359 WeakPolarHBondContact O-CD 3.46Å; L354-K359 WeakPolarHBondContact O-CE 3.37Å; L354-K359 PolarHBondContact O-NZ 3.47Å; L354-K359 VanDerWaalsContact O-NZ 3.1Å; S356-K359 WeakPolarHBondContact O-CG 3.49Å; S356-K359 PolarHBondContact O-N 3.26Å; K359-D548 IonicContact NZ-OD2 3.48Å; K359-D548 PolarHBondContact NZ-OD2 2.83Å
360	D	69.3	Low	78.7	Confident	114 Å²	114	52.7 Å²	52.7	61%	0.61	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-53.7	142.3	165.3	-76.6	-37.9	0	0	0	107.9	F348 S358	F348-D360 WeakPolarHBondContact CE2-O 3.48Å; S358-D360 PolarHBondContact O-N 2.67Å
361	P	78.9	Confident	79	Confident	67 Å²	67	52 Å²	52	44%	0.435	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-71.2	156.9	-179.1	37.2	-40.2	0	0	0	109.3
362	Y	84	Confident	79.6	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-55.8	142.3	-172.2	-165.6	-98.6	0	0	0	111.5	Y340 Y345 F348 F349 R364 Q390 D392 E414 P415 F416	Y340-Y362 HydrophobicContact CE1-CE1 4.03Å; Y345-Y362 WeakPolarHBondContact CE2-OH 3.46Å; F348-Y362 AromaticContact CD1-CD2 3.96Å; F348-Y362 HydrophobicContact CD1-CD2 3.96Å; F348-Y362 AromaticContact CD1-CE2 3.88Å; F348-Y362 HydrophobicContact CD1-CE2 3.88Å; F348-Y362 AromaticContact CE1-CD2 3.48Å; F348-Y362 HydrophobicContact CE1-CD2 3.48Å; F348-Y362 VanDerWaalsContact CE1-CD2 3.48Å; F348-Y362 AromaticContact CE1-CE2 3.66Å; F348-Y362 HydrophobicContact CE1-CE2 3.66Å; F348-Y362 HydrophobicContact CE2-CD2 4.2Å; F348-Y362 AromaticContact CZ-CD2 3.62Å; F348-Y362 HydrophobicContact CZ-CD2 3.62Å; F348-Y362 HydrophobicContact CZ-CE2 4.28Å; F349-Y362 HydrophobicContact CE2-CE2 4.47Å; F349-Y362 AromaticContact CZ-CE2 3.99Å; F349-Y362 HydrophobicContact CZ-CE2 3.99Å; F349-Y362 WeakPolarHBondContact CZ-OH 3.09Å; Y362-R364 PolarHBondContact O-N 3.05Å; Y362-Q390 WeakPolarHBondContact O-CG 3.3Å; Y362-Q390 PolarHBondContact O-NE2 2.94Å; Y362-D392 HydrophobicContact CE1-CB 3.74Å; Y362-D392 WeakPolarHBondContact OH-CB 3.47Å; Y362-D392 PolarHBondContact OH-OD2 2.67Å; Y362-E414 WeakPolarHBondContact CB-OE2 3.41Å; Y362-E414 PolarHBondContact N-OE2 2.61Å; Y362-P415 HydrophobicContact CD2-CG 4.07Å; Y362-P415 HydrophobicContact CE2-CG 3.98Å; Y362-P415 HydrophobicContact CG-CG 4.5Å; Y362-F416 HydrophobicContact CD2-CD2 4.12Å; Y362-F416 AromaticContact CE2-CD2 3.95Å; Y362-F416 HydrophobicContact CE2-CD2 3.95Å; Y362-F416 HydrophobicContact CE2-CE2 4.09Å
363	P	88.3	Confident	80.1	Confident	14 Å²	14	44.8 Å²	44.8	9%	0.091	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-51.3	135.5	178.7	-30.2	36.7	0	0	0	112.4	Y340 Y345 F348 A365	Y340-P363 HydrophobicContact CD1-CB 4.3Å; Y345-P363 HydrophobicContact CD2-CB 4.45Å; F348-P363 HydrophobicContact CB-CG 3.68Å; F348-P363 HydrophobicContact CD2-CG 4.24Å; F348-P363 HydrophobicContact CG-CG 3.97Å; P363-A365 PolarHBondContact O-N 3.09Å
364	R	89.2	Confident	80.5	Confident	157 Å²	157	44.1 Å²	44.1	59%	0.592	23%	0.227	S	C	*	.	P	Polyproline II helix	trans	-72.4	120.1	-179.1	-75.7	-168.9	-53	162	3.8	110.9	Y362 Y388 Q390	Y362-R364 PolarHBondContact O-N 3.05Å; R364-Y388 HydrophobicContact CB-CD1 4.36Å; R364-Y388 HydrophobicContact CB-CG 4.41Å; R364-Q390 HydrophobicContact CG-CG 3.89Å
365	A	89.5	Confident	81.3	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	134.7	172.6	0	0	0	0	0	111	F338 I339 Y340 P363 Y388 L389	F338-A365 HydrophobicContact CB-CB 4.34Å; F338-A365 HydrophobicContact CD1-CB 3.75Å; F338-A365 HydrophobicContact CE1-CB 4.36Å; F338-A365 HydrophobicContact CG-CB 4.26Å; I339-A365 CarbonylContact O-C 3.42Å; I339-A365 VanDerWaalsContact O-CA 3.28Å; I339-A365 WeakPolarHBondContact O-CA 3.42Å; Y340-A365 HydrophobicContact CD1-CB 3.84Å; Y340-A365 HydrophobicContact CE1-CB 3.29Å; Y340-A365 HydrophobicContact CE2-CB 4.36Å; P363-A365 PolarHBondContact O-N 3.09Å; A365-Y388 CarbonylContact O-C 3.57Å; A365-Y388 VanDerWaalsContact O-CA 3.29Å; A365-Y388 WeakPolarHBondContact O-CA 3.31Å; A365-L389 WeakPolarHBondContact CA-O 3.45Å; A365-L389 WeakPolarHBondContact CB-O 3.46Å; A365-L389 PolarHBondContact N-O 2.77Å; A365-L389 PolarHBondContact O-N 2.88Å
366	A	88.6	Confident	82.4	Confident	6 Å²	6	53 Å²	53	5%	0.05	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	125.9	158.3	0	0	0	0	0	108.7	F338 I339 V368 Y388	F338-A366 CarbonylContact C-O 3.29Å; F338-A366 WeakPolarHBondContact CA-O 3.49Å; I339-A366 HydrophobicContact CB-CB 4.37Å; I339-A366 PolarHBondContact N-O 3.22Å; I339-A366 PolarHBondContact O-N 2.91Å; A366-V368 HydrophobicContact CB-CG1 4.06Å; A366-Y388 HydrophobicContact CB-CD1 3.92Å; A366-Y388 HydrophobicContact CB-CE1 3.77Å
367	L	89.8	Confident	83.4	Confident	2 Å²	2	56 Å²	56	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	124.9	165.1	177.4	57.9	0	0	0	108.1	A337 F338 N383 I384 I409 L425 I427	A337-L367 WeakPolarHBondContact O-CA 3.41Å; F338-L367 HydrophobicContact CD1-CB 3.96Å; F338-L367 HydrophobicContact CD1-CD1 4.21Å; F338-L367 HydrophobicContact CE1-CB 3.74Å; F338-L367 HydrophobicContact CE1-CD1 4.15Å; F338-L367 HydrophobicContact CE1-CG 4.36Å; L367-N383 CarbonylContact O-C 3.59Å; L367-N383 WeakPolarHBondContact O-CA 3.43Å; L367-I384 HydrophobicContact CD2-CB 4.47Å; L367-I384 VanDerWaalsContact CD2-O 3.32Å; L367-I384 WeakPolarHBondContact CD2-O 3.42Å; L367-I384 HydrophobicContact CG-CB 4.22Å; L367-I384 PolarHBondContact O-N 2.83Å; L367-I409 HydrophobicContact CD1-CD1 3.96Å; L367-I409 HydrophobicContact CD2-CD1 3.87Å; L367-L425 HydrophobicContact CD2-CD1 4.11Å; L367-I427 HydrophobicContact CD2-CG2 4.05Å
368	V	89.3	Confident	85.3	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.006	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	155.8	-174.8	-57.5	0	0	0	0	112.2	D336 A337 I339 A366 L370 L381 E382 N383	D336-V368 CarbonylContact C-O 3.54Å; D336-V368 VanDerWaalsContact CA-O 3.25Å; D336-V368 WeakPolarHBondContact CA-O 3.49Å; A337-V368 HydrophobicContact CB-CG2 4.04Å; A337-V368 PolarHBondContact N-O 3.34Å; A337-V368 WeakPolarHBondContact O-CG2 3.37Å; A337-V368 PolarHBondContact O-N 3.19Å; I339-V368 HydrophobicContact CD1-CB 4.32Å; I339-V368 HydrophobicContact CD1-CG1 4.06Å; I339-V368 HydrophobicContact CD1-CG2 3.38Å; I339-V368 HydrophobicContact CG1-CG1 4.49Å; I339-V368 HydrophobicContact CG1-CG2 3.77Å; A366-V368 HydrophobicContact CB-CG1 4.06Å; V368-L370 HydrophobicContact CG2-CD1 3.91Å; V368-L381 HydrophobicContact CB-CD1 3.79Å; V368-L381 HydrophobicContact CB-CG 4.44Å; V368-L381 HydrophobicContact CG1-CD1 4.22Å; V368-L381 HydrophobicContact CG2-CD1 3.79Å; V368-E382 CarbonylContact C-O 3.53Å; V368-E382 WeakPolarHBondContact CA-O 3.49Å; V368-E382 WeakPolarHBondContact CB-O 3.41Å; V368-N383 WeakPolarHBondContact CG1-OD1 3.41Å
369	R	91	Very high	86.8	Confident	53 Å²	53	46.9 Å²	46.9	20%	0.2	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	121.7	162.4	-168	150.5	-77.5	-179.9	-3.2	108.5	Y334 V335 D336 E382 I384	Y334-R369 HydrophobicContact CD1-CG 4.08Å; V335-R369 CarbonylContact O-C 3.49Å; V335-R369 WeakPolarHBondContact O-CA 3.35Å; D336-R369 WeakPolarHBondContact OD1-CG 3.47Å; D336-R369 IonicContact OD1-CZ 3.83Å; D336-R369 IonicContact OD1-NE 3.4Å; D336-R369 PolarHBondContact OD1-NE 3.48Å; D336-R369 IonicContact OD1-NH2 2.8Å; D336-R369 PolarHBondContact OD1-NH2 3.15Å; D336-R369 IonicContact OD2-CZ 2.74Å; D336-R369 IonicContact OD2-NE 3.75Å; D336-R369 PolarHBondContact OD2-NE 2.99Å; D336-R369 IonicContact OD2-NH2 3.65Å; D336-R369 PolarHBondContact OD2-NH2 3.03Å; R369-E382 PolarHBondContact N-O 3.19Å; R369-E382 PolarHBondContact O-N 2.97Å; R369-I384 HydrophobicContact CB-CD1 3.46Å; R369-I384 VanDerWaalsContact CB-CD1 3.46Å; R369-I384 HydrophobicContact CB-CG1 3.78Å; R369-I384 HydrophobicContact CG-CD1 4.35Å
370	L	90.8	Very high	88	Confident	8 Å²	8	49.4 Å²	49.4	4%	0.042	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	122.5	160.8	-58.7	86.1	0	0	0	107.4	I311 Y334 V335 A337 V368 V379 K380 L381	I311-L370 HydrophobicContact CD1-CD2 3.38Å; I311-L370 HydrophobicContact CG1-CD2 4.32Å; Y334-L370 CarbonylContact C-O 3.54Å; Y334-L370 WeakPolarHBondContact CA-O 3.24Å; V335-L370 HydrophobicContact CB-CB 4.21Å; V335-L370 HydrophobicContact CB-CD1 4.35Å; V335-L370 HydrophobicContact CG1-CD1 4.49Å; V335-L370 PolarHBondContact N-O 3.47Å; V335-L370 WeakPolarHBondContact O-CD1 3.42Å; V335-L370 PolarHBondContact O-N 3.42Å; A337-L370 HydrophobicContact CB-CD1 4.32Å; V368-L370 HydrophobicContact CG2-CD1 3.91Å; L370-V379 HydrophobicContact CB-CG2 4.31Å; L370-V379 HydrophobicContact CD2-CG2 4.45Å; L370-K380 CarbonylContact C-O 3.45Å; L370-K380 WeakPolarHBondContact CA-O 3.44Å; L370-L381 HydrophobicContact CD1-CD1 4.14Å; L370-L381 HydrophobicContact CD2-CD1 4.5Å; L370-L381 HydrophobicContact CG-CD1 3.77Å
371	T	92.4	Very high	88.8	Confident	21 Å²	21	46.6 Å²	46.6	13%	0.129	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	109.9	169.9	-56.1	0	0	0	0	107.9	Y334 V379 K380	Y334-T371 HydrophobicContact CD1-CG2 3.97Å; Y334-T371 WeakPolarHBondContact CD1-OG1 3.06Å; Y334-T371 HydrophobicContact CE1-CG2 3.5Å; Y334-T371 WeakPolarHBondContact CE1-OG1 2.99Å; T371-V379 WeakPolarHBondContact O-CA 3.46Å; T371-K380 PolarHBondContact N-O 2.82Å; T371-K380 PolarHBondContact O-N 3.43Å
372	V	92.3	Very high	89.3	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.012	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	119.1	174.2	173.6	0	0	0	0	108.2	V298 L309 H332 L333 L374 V379	V298-V372 HydrophobicContact CG2-CG1 4.36Å; V298-V372 HydrophobicContact CG2-CG2 4.44Å; L309-V372 HydrophobicContact CD1-CB 4.26Å; L309-V372 HydrophobicContact CD1-CG1 3.38Å; L309-V372 HydrophobicContact CD1-CG2 3.96Å; H332-V372 WeakPolarHBondContact CA-O 3.49Å; L333-V372 HydrophobicContact CB-CB 4.14Å; L333-V372 PolarHBondContact N-O 2.95Å; L333-V372 PolarHBondContact O-N 2.99Å; V372-L374 HydrophobicContact CG1-CD2 3.82Å; V372-L374 HydrophobicContact CG1-CG 4.35Å; V372-V379 HydrophobicContact CG2-CB 4.4Å; V372-V379 HydrophobicContact CG2-CG2 3.94Å
373	D	92.3	Very high	89.3	Confident	16 Å²	16	51 Å²	51	9%	0.086	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	107	168.3	-179.1	-12.3	0	0	0	108.4	R331 M375 T376 E377 S378	R331-D373 WeakPolarHBondContact CG-OD1 3.22Å; R331-D373 IonicContact CZ-OD1 3.83Å; R331-D373 IonicContact CZ-OD2 2.8Å; R331-D373 IonicContact NE-OD1 2.77Å; R331-D373 PolarHBondContact NE-OD1 3.42Å; R331-D373 IonicContact NE-OD2 2.73Å; R331-D373 PolarHBondContact NE-OD2 2.54Å; R331-D373 IonicContact NH2-OD1 2.89Å; R331-D373 IonicContact NH2-OD2 3.76Å; R331-D373 PolarHBondContact NH2-OD2 3.06Å; D373-M375 PolarHBondContact O-N 3.42Å; D373-M375 WeakPolarHBondContact OD1-CB 3.15Å; D373-M375 PolarHBondContact OD1-N 2.91Å; D373-T376 WeakPolarHBondContact CB-OG1 2.99Å; D373-T376 PolarHBondContact OD1-N 2.98Å; D373-T376 WeakPolarHBondContact OD2-CG2 3.34Å; D373-T376 PolarHBondContact OD2-OG1 2.82Å; D373-E377 VanDerWaalsContact O-CA 3.29Å; D373-E377 WeakPolarHBondContact O-CA 3.19Å; D373-E377 PolarHBondContact O-N 2.76Å; D373-S378 PolarHBondContact N-O 2.83Å; D373-S378 PolarHBondContact O-N 3.42Å
374	L	88.7	Confident	88.8	Confident	47 Å²	47	51.8 Å²	51.8	25%	0.246	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-21.4	-175.4	-61.8	168.1	0	0	0	112.8	Y253 V298 R331 V372	Y253-L374 HydrophobicContact CE1-CD1 3.89Å; Y253-L374 HydrophobicContact CE1-CD2 4.25Å; Y253-L374 HydrophobicContact CE2-CD1 3.9Å; Y253-L374 VanDerWaalsContact CZ-CD1 3.41Å; Y253-L374 VanDerWaalsContact OH-CD1 3.24Å; Y253-L374 WeakPolarHBondContact OH-CD1 3.43Å; V298-L374 HydrophobicContact CG1-CD2 4.26Å; R331-L374 WeakPolarHBondContact O-CB 3.43Å; R331-L374 WeakPolarHBondContact O-CG 3.14Å; R331-L374 PolarHBondContact O-N 3.3Å; V372-L374 HydrophobicContact CG1-CD2 3.82Å; V372-L374 HydrophobicContact CG1-CG 4.35Å
375	M	88.7	Confident	87.8	Confident	149 Å²	149	45 Å²	45	73%	0.734	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-43.7	179	-74.1	-65.8	-59	0	0	111.9	R331 D373 E377	R331-M375 HydrophobicContact CB-CG 4.47Å; R331-M375 HydrophobicContact CG-CB 4.22Å; R331-M375 HydrophobicContact CG-CG 3.87Å; D373-M375 PolarHBondContact O-N 3.42Å; D373-M375 WeakPolarHBondContact OD1-CB 3.15Å; D373-M375 PolarHBondContact OD1-N 2.91Å; M375-E377 VanDerWaalsContact C-N 3.33Å
376	T	90.4	Very high	86.6	Confident	79 Å²	79	56.1 Å²	56.1	49%	0.485	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-6.2	178.1	63	0	0	0	0	113	D373 S378	D373-T376 WeakPolarHBondContact CB-OG1 2.99Å; D373-T376 PolarHBondContact OD1-N 2.98Å; D373-T376 WeakPolarHBondContact OD2-CG2 3.34Å; D373-T376 PolarHBondContact OD2-OG1 2.82Å; T376-S378 PolarHBondContact O-N 3.17Å; T376-S378 PolarHBondContact OG1-OG 3.3Å
377	E	87.1	Confident	85.6	Confident	97 Å²	97	61.7 Å²	61.7	45%	0.453	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	42.1	-177.9	-53.1	-175.7	138.2	0	0	111.8	K307 L309 D373 M375	K307-E377 VanDerWaalsContact CE-OE1 3.28Å; K307-E377 WeakPolarHBondContact CE-OE1 3.44Å; K307-E377 VanDerWaalsContact CE-OE2 3.29Å; K307-E377 WeakPolarHBondContact CE-OE2 3.25Å; K307-E377 IonicContact NZ-OE1 3.63Å; K307-E377 PolarHBondContact NZ-OE1 2.76Å; K307-E377 IonicContact NZ-OE2 3.33Å; K307-E377 PolarHBondContact NZ-OE2 3.2Å; L309-E377 HydrophobicContact CD2-CB 4.32Å; L309-E377 VanDerWaalsContact CD2-O 3.25Å; L309-E377 WeakPolarHBondContact CD2-O 3.39Å; D373-E377 VanDerWaalsContact O-CA 3.29Å; D373-E377 WeakPolarHBondContact O-CA 3.19Å; D373-E377 PolarHBondContact O-N 2.76Å; M375-E377 VanDerWaalsContact C-N 3.33Å
378	S	88.5	Confident	84.9	Confident	57 Å²	57	67.6 Å²	67.6	40%	0.399	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	154.1	-179.6	69.1	0	0	0	0	110.6	D373 T376	D373-S378 PolarHBondContact N-O 2.83Å; D373-S378 PolarHBondContact O-N 3.42Å; T376-S378 PolarHBondContact O-N 3.17Å; T376-S378 PolarHBondContact OG1-OG 3.3Å
379	V	88.9	Confident	84.6	Confident	26 Å²	26	68.1 Å²	68.1	16%	0.158	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	132.5	176.3	62.2	0	0	0	0	109.5	L309 D310 I311 L370 T371 V372	L309-V379 HydrophobicContact CB-CB 4.28Å; L309-V379 HydrophobicContact CB-CG1 4.04Å; L309-V379 HydrophobicContact CD1-CB 4.46Å; D310-V379 VanDerWaalsContact O-CG1 3.24Å; D310-V379 WeakPolarHBondContact O-CG1 3.42Å; I311-V379 HydrophobicContact CB-CG1 4.18Å; I311-V379 HydrophobicContact CG1-CB 4.27Å; I311-V379 HydrophobicContact CG1-CG1 3.42Å; I311-V379 VanDerWaalsContact CG1-CG1 3.42Å; I311-V379 HydrophobicContact CG1-CG2 3.89Å; L370-V379 HydrophobicContact CB-CG2 4.31Å; L370-V379 HydrophobicContact CD2-CG2 4.45Å; T371-V379 WeakPolarHBondContact O-CA 3.46Å; V372-V379 HydrophobicContact CG2-CB 4.4Å; V372-V379 HydrophobicContact CG2-CG2 3.94Å
380	K	89.6	Confident	84.5	Confident	122 Å²	122	68.1 Å²	68.1	53%	0.53	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	130.5	174.3	-170.8	-175	-175.8	-169.5	0	109.2	L370 T371 E382	L370-K380 CarbonylContact C-O 3.45Å; L370-K380 WeakPolarHBondContact CA-O 3.44Å; T371-K380 PolarHBondContact N-O 2.82Å; T371-K380 PolarHBondContact O-N 3.43Å; K380-E382 HydrophobicContact CD-CG 4.13Å; K380-E382 WeakPolarHBondContact CD-OE1 3.46Å; K380-E382 WeakPolarHBondContact CE-OE1 3.47Å; K380-E382 HydrophobicContact CG-CG 4.2Å; K380-E382 IonicContact NZ-OE1 3.21Å; K380-E382 PolarHBondContact NZ-OE1 2.96Å
381	L	87.4	Confident	84.4	Confident	54 Å²	54	67.8 Å²	67.8	28%	0.283	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	125.1	173.9	-172.1	74.2	0	0	0	109.4	I311 I339 V368 L370	I311-L381 HydrophobicContact CG2-CB 4.04Å; I311-L381 HydrophobicContact CG2-CD2 4.23Å; I339-L381 HydrophobicContact CD1-CD1 4.34Å; V368-L381 HydrophobicContact CB-CD1 3.79Å; V368-L381 HydrophobicContact CB-CG 4.44Å; V368-L381 HydrophobicContact CG1-CD1 4.22Å; V368-L381 HydrophobicContact CG2-CD1 3.79Å; L370-L381 HydrophobicContact CD1-CD1 4.14Å; L370-L381 HydrophobicContact CD2-CD1 4.5Å; L370-L381 HydrophobicContact CG-CD1 3.77Å
382	E	87.6	Confident	84	Confident	82 Å²	82	66.8 Å²	66.8	38%	0.383	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	139.2	176.6	-60.6	-174.6	161.8	0	0	110.1	V368 R369 K380	V368-E382 CarbonylContact C-O 3.53Å; V368-E382 WeakPolarHBondContact CA-O 3.49Å; V368-E382 WeakPolarHBondContact CB-O 3.41Å; R369-E382 PolarHBondContact N-O 3.19Å; R369-E382 PolarHBondContact O-N 2.97Å; K380-E382 HydrophobicContact CD-CG 4.13Å; K380-E382 WeakPolarHBondContact CD-OE1 3.46Å; K380-E382 WeakPolarHBondContact CE-OE1 3.47Å; K380-E382 HydrophobicContact CG-CG 4.2Å; K380-E382 IonicContact NZ-OE1 3.21Å; K380-E382 PolarHBondContact NZ-OE1 2.96Å
383	N	85	Confident	83.6	Confident	79 Å²	79	66.8 Å²	66.8	42%	0.422	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	131.6	176.1	-58.6	-19.3	0	0	0	110.8	L367 V368 P385	L367-N383 CarbonylContact O-C 3.59Å; L367-N383 WeakPolarHBondContact O-CA 3.43Å; V368-N383 WeakPolarHBondContact CG1-OD1 3.41Å; N383-P385 VanDerWaalsContact CB-O 3.23Å; N383-P385 WeakPolarHBondContact CB-O 3.46Å
384	I	77.9	Confident	83.4	Confident	30 Å²	30	67.2 Å²	67.2	15%	0.154	32%	0.322	C	S	.	.	S	Bend	trans	-117.9	32.8	-176.7	-27.4	170.2	0	0	0	111.8	D336 L367 R369 I427	D336-I384 VanDerWaalsContact OD2-CD1 3.28Å; D336-I384 WeakPolarHBondContact OD2-CD1 3.35Å; L367-I384 HydrophobicContact CD2-CB 4.47Å; L367-I384 VanDerWaalsContact CD2-O 3.32Å; L367-I384 WeakPolarHBondContact CD2-O 3.42Å; L367-I384 HydrophobicContact CG-CB 4.22Å; L367-I384 PolarHBondContact O-N 2.83Å; R369-I384 HydrophobicContact CB-CD1 3.46Å; R369-I384 VanDerWaalsContact CB-CD1 3.46Å; R369-I384 HydrophobicContact CB-CG1 3.78Å; R369-I384 HydrophobicContact CG-CD1 4.35Å; I384-I427 HydrophobicContact CG2-CB 4.1Å; I384-I427 HydrophobicContact CG2-CG2 4.23Å
385	P	67.7	Low	83.5	Confident	14 Å²	14	66.1 Å²	66.1	9%	0.091	32%	0.317	C	S	.	.	S	Bend		-134.1	174.4	76.2	29	-11.5	0	0	0	112.8	N383 E387 Y433	N383-P385 VanDerWaalsContact CB-O 3.23Å; N383-P385 WeakPolarHBondContact CB-O 3.46Å; P385-E387 PolarHBondContact O-N 3.34Å; P385-Y433 HydrophobicContact CB-CD1 3.28Å; P385-Y433 HydrophobicContact CB-CE1 3.61Å; P385-Y433 HydrophobicContact CB-CG 4.01Å; P385-Y433 HydrophobicContact CG-CD1 3.55Å; P385-Y433 HydrophobicContact CG-CD2 4.25Å; P385-Y433 HydrophobicContact CG-CE1 3.66Å; P385-Y433 HydrophobicContact CG-CE2 4.27Å; P385-Y433 HydrophobicContact CG-CG 3.94Å
386	R	64.2	Low	83.7	Confident	234 Å²	234	59.8 Å²	59.8	88%	0.883	29%	0.286	S	S	*	.	S	Bend	trans	-69.3	-12.5	177.1	-69.1	-171.5	-176.2	-165.2	2.2	113.9
387	E	68.1	Low	83.9	Confident	122 Å²	122	56.1 Å²	56.1	57%	0.57	26%	0.264	S	S	*	.	S	Bend	trans	-96.9	145.1	-179.2	-67	177	176.5	0	0	111.1	P385 Y433	P385-E387 PolarHBondContact O-N 3.34Å; E387-Y433 PolarHBondContact OE2-OH 3.01Å
388	Y	75	Confident	83.9	Confident	127 Å²	127	55.3 Å²	55.3	50%	0.498	27%	0.267	S	S	.	.			trans	-84	138.7	173.4	-64.6	-97.5	0	0	0	110	R364 A365 A366	R364-Y388 HydrophobicContact CB-CD1 4.36Å; R364-Y388 HydrophobicContact CB-CG 4.41Å; A365-Y388 CarbonylContact O-C 3.57Å; A365-Y388 VanDerWaalsContact O-CA 3.29Å; A365-Y388 WeakPolarHBondContact O-CA 3.31Å; A366-Y388 HydrophobicContact CB-CD1 3.92Å; A366-Y388 HydrophobicContact CB-CE1 3.77Å
389	L	83.1	Confident	84	Confident	11 Å²	11	54.7 Å²	54.7	6%	0.058	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-110.9	138	-179.4	-60.2	176.5	0	0	0	110.2	A365 T391 L425 Y433	A365-L389 WeakPolarHBondContact CA-O 3.45Å; A365-L389 WeakPolarHBondContact CB-O 3.46Å; A365-L389 PolarHBondContact N-O 2.77Å; A365-L389 PolarHBondContact O-N 2.88Å; L389-T391 HydrophobicContact CB-CG2 3.8Å; L389-T391 WeakPolarHBondContact CB-OG1 3.43Å; L389-T391 PolarHBondContact O-N 2.75Å; L389-L425 HydrophobicContact CD1-CD1 3.97Å; L389-L425 HydrophobicContact CD1-CD2 4.11Å; L389-Y433 HydrophobicContact CD1-CE2 4.39Å; L389-Y433 HydrophobicContact CD2-CE2 4.07Å
390	Q	88.8	Confident	84.2	Confident	54 Å²	54	54.3 Å²	54.3	25%	0.252	26%	0.262	S	S	.	.			trans	-85.9	64.2	174.5	-63.4	-177	-75.9	0	0	109.5	Y362 R364 Q413 E414	Y362-Q390 WeakPolarHBondContact O-CG 3.3Å; Y362-Q390 PolarHBondContact O-NE2 2.94Å; R364-Q390 HydrophobicContact CG-CG 3.89Å; Q390-Q413 CarbonylContact O-C 3.58Å; Q390-Q413 WeakPolarHBondContact O-CA 3.08Å; Q390-E414 HydrophobicContact CB-CG 4.01Å; Q390-E414 PolarHBondContact O-N 2.71Å; Q390-E414 PolarHBondContact OE1-OE1 3.16Å
391	T	88.5	Confident	84.2	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	153.8	-167.5	56.5	0	0	0	0	111.9	Y340 L389 V412 Q413 L423	Y340-T391 WeakPolarHBondContact CE1-O 3.41Å; Y340-T391 PolarHBondContact OH-O 2.88Å; L389-T391 HydrophobicContact CB-CG2 3.8Å; L389-T391 WeakPolarHBondContact CB-OG1 3.43Å; L389-T391 PolarHBondContact O-N 2.75Å; T391-V412 CarbonylContact C-O 3.51Å; T391-V412 WeakPolarHBondContact CA-O 3.22Å; T391-V412 WeakPolarHBondContact CB-O 3.38Å; T391-Q413 HydrophobicContact CG2-CB 3.89Å; T391-Q413 HydrophobicContact CG2-CG 4.13Å; T391-L423 HydrophobicContact CG2-CD1 3.42Å; T391-L423 VanDerWaalsContact CG2-CD1 3.42Å; T391-L423 HydrophobicContact CG2-CG 4.39Å
392	D	85.2	Confident	84.4	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	-170.6	168.5	-148.4	-35.5	0	0	0	109.7	Y340 Y345 Y362 A411 V412	Y340-D392 WeakPolarHBondContact OH-CA 3.13Å; Y345-D392 VanDerWaalsContact CE2-OD2 3.22Å; Y345-D392 WeakPolarHBondContact CE2-OD2 3.32Å; Y345-D392 PolarHBondContact OH-OD2 2.9Å; Y362-D392 HydrophobicContact CE1-CB 3.74Å; Y362-D392 WeakPolarHBondContact OH-CB 3.47Å; Y362-D392 PolarHBondContact OH-OD2 2.67Å; D392-A411 WeakPolarHBondContact O-CB 3.24Å; D392-V412 PolarHBondContact N-O 2.58Å; D392-V412 PolarHBondContact O-N 3.5Å
393	Y	82.4	Confident	84.6	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.008	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	59.8	51.8	178	-53.3	-39.4	0	0	0	112.6	V395 V412 P415 F416 E449	Y393-V395 PolarHBondContact O-N 2.91Å; Y393-V412 HydrophobicContact CD2-CB 4.05Å; Y393-V412 HydrophobicContact CD2-CG2 4.07Å; Y393-P415 HydrophobicContact CD2-CB 4.06Å; Y393-P415 HydrophobicContact CD2-CG 4.33Å; Y393-P415 HydrophobicContact CE2-CB 3.53Å; Y393-P415 HydrophobicContact CE2-CG 3.81Å; Y393-F416 WeakPolarHBondContact OH-CZ 3.39Å; Y393-E449 HydrophobicContact CD1-CB 4.02Å; Y393-E449 HydrophobicContact CD1-CG 3.74Å; Y393-E449 HydrophobicContact CD2-CB 4.22Å; Y393-E449 HydrophobicContact CG-CB 3.82Å; Y393-E449 HydrophobicContact CG-CG 3.74Å
394	P	89.6	Confident	84.8	Confident	24 Å²	24	51.4 Å²	51.4	16%	0.156	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	129.2	174.7	25.2	-32.5	0	0	0	110.3	V322 F338 I409 Y410	V322-P394 HydrophobicContact CB-CB 4.47Å; V322-P394 HydrophobicContact CG1-CB 4.22Å; V322-P394 HydrophobicContact CG2-CB 3.69Å; V322-P394 HydrophobicContact CG2-CG 4Å; F338-P394 HydrophobicContact CD2-CB 3.76Å; F338-P394 HydrophobicContact CD2-CG 3.72Å; F338-P394 HydrophobicContact CE2-CB 3.64Å; F338-P394 HydrophobicContact CE2-CG 4.09Å; P394-I409 HydrophobicContact CB-CG2 4.2Å; P394-Y410 CarbonylContact C-O 3.54Å; P394-Y410 WeakPolarHBondContact CA-O 3.5Å
395	V	90.2	Very high	85.5	Confident	24 Å²	24	54.4 Å²	54.4	15%	0.145	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	146.1	165.3	-57	0	0	0	0	109.9	Y393 Y410 I450	Y393-V395 PolarHBondContact O-N 2.91Å; V395-Y410 HydrophobicContact CG2-CD2 4.44Å; V395-Y410 PolarHBondContact N-O 3.29Å; V395-Y410 PolarHBondContact O-N 2.6Å; V395-I450 HydrophobicContact CB-CG1 4.45Å; V395-I450 HydrophobicContact CG1-CG1 4.02Å; V395-I450 WeakPolarHBondContact CG1-O 3.28Å; V395-I450 HydrophobicContact CG2-CB 4.47Å; V395-I450 HydrophobicContact CG2-CD1 3.55Å; V395-I450 HydrophobicContact CG2-CG1 3.59Å
396	I	93	Very high	86.7	Confident	16 Å²	16	54.3 Å²	54.3	8%	0.082	26%	0.264	C	S	.	.			trans	-119	172.8	170.4	63.1	170.8	0	0	0	108.4	V322 N323 P398 L401 Y406 I409	V322-I396 HydrophobicContact CG1-CG2 3.76Å; N323-I396 HydrophobicContact CB-CD1 4Å; I396-P398 VanDerWaalsContact O-CD 3.23Å; I396-P398 WeakPolarHBondContact O-CD 3.42Å; I396-L401 HydrophobicContact CD1-CB 4.42Å; I396-L401 HydrophobicContact CD1-CD1 4.07Å; I396-Y406 HydrophobicContact CG2-CD2 4.17Å; I396-Y406 HydrophobicContact CG2-CE2 4.02Å; I396-I409 HydrophobicContact CG2-CG1 4.12Å
397	N	93.7	Very high	88.1	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.011	24%	0.24	C	C	.	.			trans	-64.7	119	165.1	-178.9	-17	0	0	0	109.2	A399 F400 F452 Q454 E461	N397-A399 PolarHBondContact O-N 3.33Å; N397-A399 WeakPolarHBondContact OD1-CB 3.36Å; N397-A399 PolarHBondContact OD1-N 3.37Å; N397-F400 HydrophobicContact CB-CD2 3.91Å; N397-F400 WeakPolarHBondContact O-CA 3.39Å; N397-F400 WeakPolarHBondContact O-CB 3.2Å; N397-F400 PolarHBondContact O-N 2.88Å; N397-F452 HydrophobicContact CB-CD1 3.76Å; N397-F452 HydrophobicContact CB-CE1 3.56Å; N397-F452 HydrophobicContact CB-CE2 4.35Å; N397-F452 HydrophobicContact CB-CG 4.25Å; N397-F452 HydrophobicContact CB-CZ 3.89Å; N397-F452 WeakPolarHBondContact ND2-CE1 3.38Å; N397-Q454 PolarHBondContact ND2-NE2 3.48Å; N397-Q454 VanDerWaalsContact ND2-NE2 3.17Å; N397-E461 HydrophobicContact CB-CG 4.22Å; N397-E461 PolarHBondContact ND2-O 2.76Å
398	P	88.4	Confident	89.4	Confident	80 Å²	80	43.6 Å²	43.6	52%	0.519	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-57.6	-26.6	-178	-26.2	36	0	0	0	114	I396 F400 L401	I396-P398 VanDerWaalsContact O-CD 3.23Å; I396-P398 WeakPolarHBondContact O-CD 3.42Å; P398-F400 PolarHBondContact O-N 3.14Å; P398-F400 VanDerWaalsContact O-N 3.17Å; P398-L401 WeakPolarHBondContact O-CB 3.4Å; P398-L401 PolarHBondContact O-N 3.11Å
399	A	89	Confident	90.3	Very high	44 Å²	44	37.5 Å²	37.5	36%	0.364	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-66.3	-12.9	174.9	0	0	0	0	0	113.6	N397 R403	N397-A399 PolarHBondContact O-N 3.33Å; N397-A399 WeakPolarHBondContact OD1-CB 3.36Å; N397-A399 PolarHBondContact OD1-N 3.37Å; A399-R403 WeakPolarHBondContact O-CD 3.46Å
400	F	92.9	Very high	90.8	Very high	19 Å²	19	37 Å²	37	8%	0.083	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-107.9	4	179	-71.9	-103.4	0	0	0	113.6	N323 N397 P398 G402 R403 E461	N323-F400 PolarHBondContact ND2-O 3.22Å; N397-F400 HydrophobicContact CB-CD2 3.91Å; N397-F400 WeakPolarHBondContact O-CA 3.39Å; N397-F400 WeakPolarHBondContact O-CB 3.2Å; N397-F400 PolarHBondContact O-N 2.88Å; P398-F400 PolarHBondContact O-N 3.14Å; P398-F400 VanDerWaalsContact O-N 3.17Å; F400-G402 PolarHBondContact O-N 2.87Å; F400-R403 WeakPolarHBondContact O-CB 3.49Å; F400-R403 PolarHBondContact O-N 3.1Å; F400-E461 HydrophobicContact CD1-CB 4.34Å; F400-E461 HydrophobicContact CD1-CG 4.04Å; F400-E461 HydrophobicContact CD2-CB 4.22Å; F400-E461 HydrophobicContact CD2-CG 3.8Å; F400-E461 HydrophobicContact CE1-CB 3.87Å; F400-E461 HydrophobicContact CE1-CG 4.09Å; F400-E461 HydrophobicContact CE2-CB 3.75Å; F400-E461 HydrophobicContact CE2-CG 3.87Å; F400-E461 HydrophobicContact CG-CG 3.89Å; F400-E461 HydrophobicContact CZ-CB 3.55Å; F400-E461 HydrophobicContact CZ-CG 4Å
401	L	89.9	Confident	91	Very high	50 Å²	50	34.5 Å²	34.5	26%	0.262	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	128.7	169.1	-168.7	72.2	0	0	0	109.8	M173 I396 P398 R403	M173-L401 WeakPolarHBondContact O-CD2 3.39Å; I396-L401 HydrophobicContact CD1-CB 4.42Å; I396-L401 HydrophobicContact CD1-CD1 4.07Å; P398-L401 WeakPolarHBondContact O-CB 3.4Å; P398-L401 PolarHBondContact O-N 3.11Å; L401-R403 VanDerWaalsContact C-N 3.29Å; L401-R403 PolarHBondContact O-N 2.85Å
402	G	91.5	Very high	91	Very high	29 Å²	29	34.5 Å²	34.5	30%	0.299	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	-2.9	-176.7	0	0	0	0	0	115.4	N323 A324 F325 F400	N323-G402 PolarHBondContact OD1-N 3.23Å; A324-G402 VanDerWaalsContact O-CA 3.22Å; A324-G402 WeakPolarHBondContact O-CA 3.42Å; F325-G402 WeakPolarHBondContact CB-O 3.14Å; F400-G402 PolarHBondContact O-N 2.87Å
403	R	91.6	Very high	91.2	Very high	90 Å²	90	37.5 Å²	37.5	34%	0.34	19%	0.194	S	C	.	.			trans	-101	132.3	-174.4	-72.4	-176	58.1	173.9	3.2	112.4	A399 F400 L401 D405 Y406	A399-R403 WeakPolarHBondContact O-CD 3.46Å; F400-R403 WeakPolarHBondContact O-CB 3.49Å; F400-R403 PolarHBondContact O-N 3.1Å; L401-R403 VanDerWaalsContact C-N 3.29Å; L401-R403 PolarHBondContact O-N 2.85Å; R403-D405 VanDerWaalsContact C-N 3.3Å; R403-D405 WeakPolarHBondContact CB-OD1 3.23Å; R403-D405 IonicContact CZ-OD1 3.55Å; R403-D405 IonicContact CZ-OD2 3.94Å; R403-D405 IonicContact NE-OD1 2.76Å; R403-D405 PolarHBondContact NE-OD1 2.88Å; R403-D405 IonicContact NE-OD2 3.11Å; R403-D405 VanDerWaalsContact NH2-CG 3.33Å; R403-D405 IonicContact NH2-OD1 3.74Å; R403-D405 PolarHBondContact NH2-OD1 3.23Å; R403-D405 IonicContact NH2-OD2 3.88Å; R403-D405 PolarHBondContact NH2-OD2 3.41Å; R403-D405 PolarHBondContact O-N 3.39Å; R403-Y406 VanDerWaalsContact O-CD1 3.27Å; R403-Y406 WeakPolarHBondContact O-CD1 3.3Å
404	K	90.5	Very high	91.3	Very high	106 Å²	106	37.9 Å²	37.9	46%	0.461	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-29.2	176	175.9	175.1	172.7	-175.7	0	114.1	F325 E327 Y406	F325-K404 VanDerWaalsContact CD2-CA 3.42Å; F325-K404 HydrophobicContact CD2-CB 3.51Å; F325-K404 HydrophobicContact CD2-CG 3.88Å; F325-K404 HydrophobicContact CE2-CB 3.87Å; F325-K404 HydrophobicContact CE2-CD 4.47Å; F325-K404 HydrophobicContact CE2-CG 3.7Å; F325-K404 HydrophobicContact CG-CB 4.28Å; E327-K404 WeakPolarHBondContact OE1-CD 3.49Å; E327-K404 IonicContact OE1-NZ 2.84Å; E327-K404 PolarHBondContact OE1-NZ 2.94Å; E327-K404 WeakPolarHBondContact OE2-CE 3.05Å; E327-K404 IonicContact OE2-NZ 2.66Å; E327-K404 PolarHBondContact OE2-NZ 3.04Å; K404-Y406 VanDerWaalsContact C-N 3.28Å; K404-Y406 PolarHBondContact O-N 3.09Å
405	D	92	Very high	90.6	Very high	94 Å²	94	36.7 Å²	36.7	50%	0.503	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	10.3	-175.3	65.9	-36.6	0	0	0	113.9	R403	R403-D405 VanDerWaalsContact C-N 3.3Å; R403-D405 WeakPolarHBondContact CB-OD1 3.23Å; R403-D405 IonicContact CZ-OD1 3.55Å; R403-D405 IonicContact CZ-OD2 3.94Å; R403-D405 IonicContact NE-OD1 2.76Å; R403-D405 PolarHBondContact NE-OD1 2.88Å; R403-D405 IonicContact NE-OD2 3.11Å; R403-D405 VanDerWaalsContact NH2-CG 3.33Å; R403-D405 IonicContact NH2-OD1 3.74Å; R403-D405 PolarHBondContact NH2-OD1 3.23Å; R403-D405 IonicContact NH2-OD2 3.88Å; R403-D405 PolarHBondContact NH2-OD2 3.41Å; R403-D405 PolarHBondContact O-N 3.39Å
406	Y	94.1	Very high	89.7	Confident	11 Å²	11	36.2 Å²	36.2	4%	0.043	19%	0.185	C	C	.	.			trans	-69.4	150.9	169.7	98.4	-73.1	0	0	0	111.4	N323 F325 D336 I396 R403 K404 I409 I427 E461	N323-Y406 HydrophobicContact CB-CE1 4.07Å; N323-Y406 HydrophobicContact CB-CE2 4.22Å; N323-Y406 VanDerWaalsContact ND2-CD1 3.31Å; N323-Y406 WeakPolarHBondContact ND2-CD1 3.16Å; N323-Y406 WeakPolarHBondContact ND2-CE1 3.47Å; F325-Y406 HydrophobicContact CD1-CD1 4.39Å; F325-Y406 AromaticContact CD1-CE1 3.99Å; F325-Y406 HydrophobicContact CD1-CE1 3.99Å; F325-Y406 HydrophobicContact CE1-CD1 4.28Å; F325-Y406 AromaticContact CE1-CE1 3.62Å; F325-Y406 HydrophobicContact CE1-CE1 3.62Å; F325-Y406 HydrophobicContact CZ-CE1 4.48Å; D336-Y406 WeakPolarHBondContact CB-OH 3.37Å; D336-Y406 PolarHBondContact OD2-OH 3.33Å; I396-Y406 HydrophobicContact CG2-CD2 4.17Å; I396-Y406 HydrophobicContact CG2-CE2 4.02Å; R403-Y406 VanDerWaalsContact O-CD1 3.27Å; R403-Y406 WeakPolarHBondContact O-CD1 3.3Å; K404-Y406 VanDerWaalsContact C-N 3.28Å; K404-Y406 PolarHBondContact O-N 3.09Å; Y406-I409 HydrophobicContact CE2-CD1 4.45Å; Y406-I409 HydrophobicContact CE2-CG1 4.02Å; Y406-I427 HydrophobicContact CD2-CD1 4.42Å; Y406-I427 HydrophobicContact CE1-CD1 4.01Å; Y406-I427 HydrophobicContact CE2-CD1 3.7Å; Y406-I427 VanDerWaalsContact CZ-CD1 3.49Å; Y406-E461 WeakPolarHBondContact CA-OE2 3.35Å
407	R	93.1	Very high	88.8	Confident	99 Å²	99	36 Å²	36	37%	0.374	19%	0.185	S	C	.	.			trans	-141	-22.8	-167.3	178.1	171.7	178.1	-175.1	-1.5	113.8	D426 I427 A428 E461	R407-D426 VanDerWaalsContact CG-OD1 3.22Å; R407-D426 WeakPolarHBondContact CG-OD1 3.38Å; R407-D426 IonicContact CZ-OD1 2.74Å; R407-D426 IonicContact CZ-OD2 2.71Å; R407-D426 VanDerWaalsContact CZ-OD2 3.25Å; R407-D426 VanDerWaalsContact NE-CG 3.25Å; R407-D426 IonicContact NE-OD1 2.62Å; R407-D426 PolarHBondContact NE-OD1 3.42Å; R407-D426 IonicContact NE-OD2 2.72Å; R407-D426 PolarHBondContact NE-OD2 3.3Å; R407-D426 VanDerWaalsContact NE-OD2 3.09Å; R407-D426 IonicContact NH2-OD1 3.13Å; R407-D426 IonicContact NH2-OD2 2.58Å; R407-D426 PolarHBondContact NH2-OD2 2.84Å; R407-I427 WeakPolarHBondContact O-CG1 3.44Å; R407-I427 PolarHBondContact O-N 2.95Å; R407-A428 HydrophobicContact CG-CB 3.83Å; R407-E461 WeakPolarHBondContact CB-OE2 3.48Å; R407-E461 PolarHBondContact N-OE1 3.23Å; R407-E461 PolarHBondContact N-OE2 2.7Å
408	Y	94.5	Very high	87.7	Confident	32 Å²	32	37.6 Å²	37.6	13%	0.125	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.3	-172.1	-57.9	-66.9	0	0	0	111.9	K424 L425 D426 E461 D462	Y408-K424 HydrophobicContact CD1-CD 4.44Å; Y408-K424 HydrophobicContact CD1-CG 4.27Å; Y408-L425 WeakPolarHBondContact CA-O 3.46Å; Y408-D426 HydrophobicContact CD1-CB 4.22Å; Y408-D426 HydrophobicContact CE1-CB 4Å; Y408-E461 HydrophobicContact CD2-CB 4.14Å; Y408-E461 HydrophobicContact CD2-CG 4.03Å; Y408-E461 HydrophobicContact CE2-CB 4.48Å; Y408-E461 PolarHBondContact N-OE1 3.21Å; Y408-D462 HydrophobicContact CD2-CB 3.81Å; Y408-D462 HydrophobicContact CE2-CB 3.89Å; Y408-D462 HydrophobicContact CG-CB 4.48Å
409	I	94.5	Very high	87.1	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	129.8	167.9	-57.3	167.9	0	0	0	107.2	V322 L367 P394 I396 Y406 L425 I427	V322-I409 HydrophobicContact CG1-CD1 3.94Å; V322-I409 HydrophobicContact CG1-CG1 3.97Å; V322-I409 HydrophobicContact CG1-CG2 4.17Å; L367-I409 HydrophobicContact CD1-CD1 3.96Å; L367-I409 HydrophobicContact CD2-CD1 3.87Å; P394-I409 HydrophobicContact CB-CG2 4.2Å; I396-I409 HydrophobicContact CG2-CG1 4.12Å; Y406-I409 HydrophobicContact CE2-CD1 4.45Å; Y406-I409 HydrophobicContact CE2-CG1 4.02Å; I409-L425 HydrophobicContact CB-CB 4.27Å; I409-L425 HydrophobicContact CB-CD1 4.39Å; I409-L425 HydrophobicContact CG2-CD1 4.41Å; I409-L425 PolarHBondContact N-O 2.61Å; I409-L425 WeakPolarHBondContact O-CB 3.26Å; I409-L425 PolarHBondContact O-N 3.31Å; I409-I427 HydrophobicContact CD1-CD1 4.43Å; I409-I427 HydrophobicContact CD1-CG2 3.94Å
410	Y	94.1	Very high	86.8	Confident	1 Å²	1	36.7 Å²	36.7	0%	0.004	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	140.2	170.3	-50.8	-91.6	0	0	0	108.8	P394 V395 L423 K424 F452 D462 L466 A485 M488	P394-Y410 CarbonylContact C-O 3.54Å; P394-Y410 WeakPolarHBondContact CA-O 3.5Å; V395-Y410 HydrophobicContact CG2-CD2 4.44Å; V395-Y410 PolarHBondContact N-O 3.29Å; V395-Y410 PolarHBondContact O-N 2.6Å; Y410-L423 WeakPolarHBondContact CA-O 3.33Å; Y410-K424 HydrophobicContact CD1-CB 3.93Å; Y410-K424 HydrophobicContact CD1-CG 4.08Å; Y410-K424 HydrophobicContact CE1-CB 3.9Å; Y410-K424 HydrophobicContact CE1-CD 3.87Å; Y410-K424 HydrophobicContact CE1-CG 3.62Å; Y410-F452 HydrophobicContact CD2-CD2 4.05Å; Y410-F452 AromaticContact CE2-CD2 3.59Å; Y410-F452 HydrophobicContact CE2-CD2 3.59Å; Y410-F452 AromaticContact CE2-CE2 3.77Å; Y410-F452 HydrophobicContact CE2-CE2 3.77Å; Y410-D462 WeakPolarHBondContact OH-CB 3.33Å; Y410-L466 HydrophobicContact CD1-CD1 3.55Å; Y410-L466 HydrophobicContact CD1-CD2 3.96Å; Y410-L466 HydrophobicContact CD1-CG 4.28Å; Y410-L466 HydrophobicContact CD2-CD2 4.02Å; Y410-L466 HydrophobicContact CE1-CD1 4.11Å; Y410-L466 HydrophobicContact CE1-CD2 4.38Å; Y410-L466 HydrophobicContact CE2-CD2 4.47Å; Y410-L466 HydrophobicContact CG-CD1 4.05Å; Y410-L466 HydrophobicContact CG-CD2 3.76Å; Y410-A485 HydrophobicContact CE1-CB 4.03Å; Y410-A485 WeakPolarHBondContact CE1-O 3.36Å; Y410-A485 PolarHBondContact OH-O 3.17Å; Y410-M488 HydrophobicContact CD1-SD 4.32Å; Y410-M488 HydrophobicContact CE1-SD 4.24Å
411	A	92.3	Very high	86.7	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	159.5	-178.9	0	0	0	0	0	110.2	F338 D392 V422 L423	F338-A411 HydrophobicContact CE2-CB 4.11Å; F338-A411 HydrophobicContact CZ-CB 4.22Å; D392-A411 WeakPolarHBondContact O-CB 3.24Å; A411-V422 WeakPolarHBondContact O-CA 3.45Å; A411-L423 PolarHBondContact N-O 3Å; A411-L423 PolarHBondContact O-N 3.03Å
412	V	87.8	Confident	86.9	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	123.1	172.4	-175.9	0	0	0	0	108.4	T391 D392 Y393 P415 S421 L447 N448 I450	T391-V412 CarbonylContact C-O 3.51Å; T391-V412 WeakPolarHBondContact CA-O 3.22Å; T391-V412 WeakPolarHBondContact CB-O 3.38Å; D392-V412 PolarHBondContact N-O 2.58Å; D392-V412 PolarHBondContact O-N 3.5Å; Y393-V412 HydrophobicContact CD2-CB 4.05Å; Y393-V412 HydrophobicContact CD2-CG2 4.07Å; V412-P415 HydrophobicContact CB-CB 4.35Å; V412-P415 HydrophobicContact CG1-CB 3.75Å; V412-S421 CarbonylContact C-O 3.55Å; V412-S421 WeakPolarHBondContact CA-O 3.3Å; V412-L447 HydrophobicContact CG1-CB 3.82Å; V412-N448 WeakPolarHBondContact CG2-O 3.25Å; V412-I450 HydrophobicContact CG2-CD1 4.49Å; V412-I450 HydrophobicContact CG2-CG1 4.37Å; V412-I450 HydrophobicContact CG2-CG2 3.95Å
413	Q	89.5	Confident	86.9	Confident	65 Å²	65	32.7 Å²	32.7	30%	0.304	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	131.5	167.5	-171.3	177.1	36.4	0	0	109.1	Q390 T391 S420 S421 L423	Q390-Q413 CarbonylContact O-C 3.58Å; Q390-Q413 WeakPolarHBondContact O-CA 3.08Å; T391-Q413 HydrophobicContact CG2-CB 3.89Å; T391-Q413 HydrophobicContact CG2-CG 4.13Å; Q413-S420 VanDerWaalsContact O-CA 3.22Å; Q413-S420 WeakPolarHBondContact O-CA 3.11Å; Q413-S420 WeakPolarHBondContact O-CB 3.34Å; Q413-S421 WeakPolarHBondContact CB-OG 3.07Å; Q413-S421 PolarHBondContact N-O 2.82Å; Q413-S421 PolarHBondContact O-N 3.26Å; Q413-S421 VanDerWaalsContact O-N 3.1Å; Q413-S421 PolarHBondContact OE1-OG 3.3Å; Q413-L423 HydrophobicContact CB-CD1 4.05Å; Q413-L423 HydrophobicContact CB-CD2 4.32Å; Q413-L423 HydrophobicContact CB-CG 3.97Å
414	E	84.8	Confident	87	Confident	9 Å²	9	29 Å²	29	4%	0.042	14%	0.135	C	C	.	.	S	Bend	trans	53.4	52.5	172.3	-66.7	-90.4	-144.6	0	0	113.1	Y362 Q390 F416 A417 Y419 S420	Y362-E414 WeakPolarHBondContact CB-OE2 3.41Å; Y362-E414 PolarHBondContact N-OE2 2.61Å; Q390-E414 HydrophobicContact CB-CG 4.01Å; Q390-E414 PolarHBondContact O-N 2.71Å; Q390-E414 PolarHBondContact OE1-OE1 3.16Å; E414-F416 PolarHBondContact O-N 2.89Å; E414-A417 HydrophobicContact CB-CB 3.87Å; E414-A417 WeakPolarHBondContact O-CB 3.36Å; E414-A417 PolarHBondContact O-N 3.08Å; E414-Y419 HydrophobicContact CB-CD2 4.14Å; E414-Y419 HydrophobicContact CB-CE2 3.79Å; E414-Y419 HydrophobicContact CG-CD2 4.31Å; E414-Y419 HydrophobicContact CG-CE2 3.61Å; E414-Y419 PolarHBondContact OE1-OH 3.26Å; E414-Y419 VanDerWaalsContact OE1-OH 3.09Å; E414-S420 WeakPolarHBondContact O-CB 3.21Å
415	P	75.8	Confident	87.1	Confident	0 Å²	0	24 Å²	24	0%	0	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-25.6	-168.9	17.9	-29.8	0	0	0	115.3	Y362 Y393 V412 L447	Y362-P415 HydrophobicContact CD2-CG 4.07Å; Y362-P415 HydrophobicContact CE2-CG 3.98Å; Y362-P415 HydrophobicContact CG-CG 4.5Å; Y393-P415 HydrophobicContact CD2-CB 4.06Å; Y393-P415 HydrophobicContact CD2-CG 4.33Å; Y393-P415 HydrophobicContact CE2-CB 3.53Å; Y393-P415 HydrophobicContact CE2-CG 3.81Å; V412-P415 HydrophobicContact CB-CB 4.35Å; V412-P415 HydrophobicContact CG1-CB 3.75Å; P415-L447 WeakPolarHBondContact CA-O 3.31Å; P415-L447 WeakPolarHBondContact CB-O 3.14Å; P415-L447 VanDerWaalsContact O-O 3.07Å
416	F	70.9	Confident	87	Confident	14 Å²	14	20.3 Å²	20.3	6%	0.061	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	17.5	-179.9	-60.4	-84.8	0	0	0	113.2	F45 F348 F349 L354 Y362 Y393 E414 Y446	F45-F416 HydrophobicContact CE1-CE1 4.11Å; F45-F416 HydrophobicContact CE1-CZ 4.1Å; F45-F416 HydrophobicContact CZ-CE1 4.31Å; F348-F416 HydrophobicContact CE1-CB 4.2Å; F348-F416 AromaticContact CE1-CD2 3.63Å; F348-F416 HydrophobicContact CE1-CD2 3.63Å; F348-F416 HydrophobicContact CE1-CE2 4.34Å; F348-F416 HydrophobicContact CE1-CG 4.06Å; F348-F416 HydrophobicContact CZ-CB 4.03Å; F348-F416 HydrophobicContact CZ-CD2 4.19Å; F348-F416 HydrophobicContact CZ-CG 4.39Å; F349-F416 HydrophobicContact CE1-CD2 4.37Å; F349-F416 AromaticContact CE1-CE2 3.5Å; F349-F416 HydrophobicContact CE1-CE2 3.5Å; F349-F416 AromaticContact CE1-CZ 3.62Å; F349-F416 HydrophobicContact CE1-CZ 3.62Å; F349-F416 AromaticContact CZ-CE2 3.96Å; F349-F416 HydrophobicContact CZ-CE2 3.96Å; F349-F416 HydrophobicContact CZ-CZ 4.44Å; L354-F416 HydrophobicContact CD2-CB 4.49Å; L354-F416 HydrophobicContact CD2-CD1 4.44Å; L354-F416 HydrophobicContact CD2-CG 4.35Å; Y362-F416 HydrophobicContact CD2-CD2 4.12Å; Y362-F416 AromaticContact CE2-CD2 3.95Å; Y362-F416 HydrophobicContact CE2-CD2 3.95Å; Y362-F416 HydrophobicContact CE2-CE2 4.09Å; Y393-F416 WeakPolarHBondContact OH-CZ 3.39Å; E414-F416 PolarHBondContact O-N 2.89Å; F416-Y446 WeakPolarHBondContact O-CE1 3.48Å
417	A	74.1	Confident	86.8	Confident	11 Å²	11	20.7 Å²	20.7	9%	0.091	10%	0.097	C	C	.	.	S	Bend	trans	-112.2	146.7	177.3	0	0	0	0	0	111.9	E414 Y419 S420 Y446	E414-A417 HydrophobicContact CB-CB 3.87Å; E414-A417 WeakPolarHBondContact O-CB 3.36Å; E414-A417 PolarHBondContact O-N 3.08Å; A417-Y419 HydrophobicContact CB-CD1 3.84Å; A417-Y419 HydrophobicContact CB-CD2 4.01Å; A417-Y419 HydrophobicContact CB-CE1 3.69Å; A417-Y419 HydrophobicContact CB-CE2 3.87Å; A417-Y419 HydrophobicContact CB-CG 3.98Å; A417-Y419 PolarHBondContact O-N 3.12Å; A417-S420 WeakPolarHBondContact O-CB 3.3Å; A417-S420 PolarHBondContact O-N 3.37Å; A417-S420 PolarHBondContact O-OG 3.36Å; A417-Y446 VanDerWaalsContact C-CD1 3.45Å
418	A	70.7	Confident	86.2	Confident	35 Å²	35	18.9 Å²	18.9	29%	0.289	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-17.1	169.9	0	0	0	0	0	113.3	V444 Y446	A418-V444 HydrophobicContact CB-CG1 3.48Å; A418-V444 VanDerWaalsContact CB-CG1 3.48Å; A418-Y446 VanDerWaalsContact N-CE1 3.28Å
419	Y	76.2	Confident	84.8	Confident	106 Å²	106	19.4 Å²	19.4	42%	0.416	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	17.6	-177.4	60.6	-102.9	0	0	0	115.1	E414 A417 R439	E414-Y419 HydrophobicContact CB-CD2 4.14Å; E414-Y419 HydrophobicContact CB-CE2 3.79Å; E414-Y419 HydrophobicContact CG-CD2 4.31Å; E414-Y419 HydrophobicContact CG-CE2 3.61Å; E414-Y419 PolarHBondContact OE1-OH 3.26Å; E414-Y419 VanDerWaalsContact OE1-OH 3.09Å; A417-Y419 HydrophobicContact CB-CD1 3.84Å; A417-Y419 HydrophobicContact CB-CD2 4.01Å; A417-Y419 HydrophobicContact CB-CE1 3.69Å; A417-Y419 HydrophobicContact CB-CE2 3.87Å; A417-Y419 HydrophobicContact CB-CG 3.98Å; A417-Y419 PolarHBondContact O-N 3.12Å; Y419-R439 PolarHBondContact O-NH1 3.13Å
420	S	81.8	Confident	82.9	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.162	C	C	.	.			trans	-53.3	144.3	176.9	55.1	0	0	0	0	112.9	Q413 E414 A417 T445 L447	Q413-S420 VanDerWaalsContact O-CA 3.22Å; Q413-S420 WeakPolarHBondContact O-CA 3.11Å; Q413-S420 WeakPolarHBondContact O-CB 3.34Å; E414-S420 WeakPolarHBondContact O-CB 3.21Å; A417-S420 WeakPolarHBondContact O-CB 3.3Å; A417-S420 PolarHBondContact O-N 3.37Å; A417-S420 PolarHBondContact O-OG 3.36Å; S420-T445 PolarHBondContact OG-O 3.11Å; S420-L447 VanDerWaalsContact OG-CG 3.29Å; S420-L447 WeakPolarHBondContact OG-CG 3.32Å; S420-L447 PolarHBondContact OG-N 3.18Å
421	S	91.2	Very high	80.9	Confident	6 Å²	6	39.3 Å²	39.3	4%	0.042	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	157.8	179.3	80.9	0	0	0	0	110.7	V412 Q413 W438	V412-S421 CarbonylContact C-O 3.55Å; V412-S421 WeakPolarHBondContact CA-O 3.3Å; Q413-S421 WeakPolarHBondContact CB-OG 3.07Å; Q413-S421 PolarHBondContact N-O 2.82Å; Q413-S421 PolarHBondContact O-N 3.26Å; Q413-S421 VanDerWaalsContact O-N 3.1Å; Q413-S421 PolarHBondContact OE1-OG 3.3Å; S421-W438 CarbonylContact C-O 3.57Å; S421-W438 WeakPolarHBondContact CA-O 3.12Å; S421-W438 WeakPolarHBondContact CB-O 3.32Å
422	V	93	Very high	79	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	121.8	169.6	-174.7	0	0	0	0	108.3	A411 A437 W438 L447 I450 L466 V468 I483 M488	A411-V422 WeakPolarHBondContact O-CA 3.45Å; V422-A437 CarbonylContact O-C 3.48Å; V422-A437 VanDerWaalsContact O-CA 3.29Å; V422-A437 WeakPolarHBondContact O-CA 3.45Å; V422-W438 HydrophobicContact CB-CE3 4.34Å; V422-W438 HydrophobicContact CG2-CE3 3.9Å; V422-W438 HydrophobicContact CG2-CZ3 4.25Å; V422-W438 PolarHBondContact N-O 2.61Å; V422-W438 PolarHBondContact O-N 2.78Å; V422-L447 HydrophobicContact CG2-CD1 3.72Å; V422-I450 HydrophobicContact CG1-CD1 4.08Å; V422-I450 HydrophobicContact CG2-CG2 4.34Å; V422-L466 HydrophobicContact CG1-CD1 3.77Å; V422-V468 HydrophobicContact CG2-CG1 4.24Å; V422-V468 HydrophobicContact CG2-CG2 4.11Å; V422-I483 HydrophobicContact CB-CD1 4.46Å; V422-I483 HydrophobicContact CG2-CD1 4.08Å; V422-M488 HydrophobicContact CB-CE 4.15Å; V422-M488 HydrophobicContact CG1-CE 3.94Å; V422-M488 WeakPolarHBondContact O-CE 3.31Å
423	L	92.9	Very high	77.6	Confident	7 Å²	7	44 Å²	44	4%	0.037	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	142.2	174.9	-56	-174.8	0	0	0	110.6	T391 Y410 A411 Q413 L425 A437	T391-L423 HydrophobicContact CG2-CD1 3.42Å; T391-L423 VanDerWaalsContact CG2-CD1 3.42Å; T391-L423 HydrophobicContact CG2-CG 4.39Å; Y410-L423 WeakPolarHBondContact CA-O 3.33Å; A411-L423 PolarHBondContact N-O 3Å; A411-L423 PolarHBondContact O-N 3.03Å; Q413-L423 HydrophobicContact CB-CD1 4.05Å; Q413-L423 HydrophobicContact CB-CD2 4.32Å; Q413-L423 HydrophobicContact CB-CG 3.97Å; L423-L425 HydrophobicContact CB-CD2 3.98Å; L423-L425 HydrophobicContact CD1-CD2 4.17Å; L423-A437 HydrophobicContact CD2-CB 3.7Å
424	K	94.3	Very high	76.3	Confident	12 Å²	12	50.3 Å²	50.3	5%	0.052	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	114.5	159.8	176.9	-178.8	-173.9	166.2	0	108.1	Y408 Y410 T435 N436 D462 A485 R486 M488	Y408-K424 HydrophobicContact CD1-CD 4.44Å; Y408-K424 HydrophobicContact CD1-CG 4.27Å; Y410-K424 HydrophobicContact CD1-CB 3.93Å; Y410-K424 HydrophobicContact CD1-CG 4.08Å; Y410-K424 HydrophobicContact CE1-CB 3.9Å; Y410-K424 HydrophobicContact CE1-CD 3.87Å; Y410-K424 HydrophobicContact CE1-CG 3.62Å; K424-T435 WeakPolarHBondContact O-CA 3.43Å; K424-N436 HydrophobicContact CB-CB 4.46Å; K424-N436 PolarHBondContact N-O 3.19Å; K424-N436 PolarHBondContact O-N 3.02Å; K424-D462 IonicContact NZ-OD2 3.39Å; K424-D462 PolarHBondContact NZ-OD2 3.14Å; K424-A485 WeakPolarHBondContact CD-O 3.28Å; K424-A485 WeakPolarHBondContact CE-O 3.48Å; K424-A485 PolarHBondContact NZ-O 2.75Å; K424-R486 VanDerWaalsContact NZ-CA 3.32Å; K424-R486 PolarHBondContact NZ-O 2.84Å; K424-M488 HydrophobicContact CB-CE 4.13Å; K424-M488 HydrophobicContact CB-CG 3.93Å; K424-M488 HydrophobicContact CB-SD 3.7Å; K424-M488 HydrophobicContact CD-CG 4.07Å; K424-M488 HydrophobicContact CD-SD 4.28Å
425	L	91.6	Very high	75.9	Confident	1 Å²	1	53 Å²	53	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	118.9	178.2	-47.6	179.6	0	0	0	108.9	F338 L367 L389 Y408 I409 L423 Y433 T435	F338-L425 HydrophobicContact CZ-CD1 4.04Å; L367-L425 HydrophobicContact CD2-CD1 4.11Å; L389-L425 HydrophobicContact CD1-CD1 3.97Å; L389-L425 HydrophobicContact CD1-CD2 4.11Å; Y408-L425 WeakPolarHBondContact CA-O 3.46Å; I409-L425 HydrophobicContact CB-CB 4.27Å; I409-L425 HydrophobicContact CB-CD1 4.39Å; I409-L425 HydrophobicContact CG2-CD1 4.41Å; I409-L425 PolarHBondContact N-O 2.61Å; I409-L425 WeakPolarHBondContact O-CB 3.26Å; I409-L425 PolarHBondContact O-N 3.31Å; L423-L425 HydrophobicContact CB-CD2 3.98Å; L423-L425 HydrophobicContact CD1-CD2 4.17Å; L425-Y433 HydrophobicContact CD2-CD2 4Å; L425-Y433 HydrophobicContact CD2-CE2 4.2Å; L425-T435 HydrophobicContact CD2-CG2 3.77Å
426	D	90.9	Very high	76.3	Confident	18 Å²	18	56.8 Å²	56.8	10%	0.096	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	109.8	169.7	-177	-14.5	0	0	0	110.4	R407 Y408 A428 R434	R407-D426 VanDerWaalsContact CG-OD1 3.22Å; R407-D426 WeakPolarHBondContact CG-OD1 3.38Å; R407-D426 IonicContact CZ-OD1 2.74Å; R407-D426 IonicContact CZ-OD2 2.71Å; R407-D426 VanDerWaalsContact CZ-OD2 3.25Å; R407-D426 VanDerWaalsContact NE-CG 3.25Å; R407-D426 IonicContact NE-OD1 2.62Å; R407-D426 PolarHBondContact NE-OD1 3.42Å; R407-D426 IonicContact NE-OD2 2.72Å; R407-D426 PolarHBondContact NE-OD2 3.3Å; R407-D426 VanDerWaalsContact NE-OD2 3.09Å; R407-D426 IonicContact NH2-OD1 3.13Å; R407-D426 IonicContact NH2-OD2 2.58Å; R407-D426 PolarHBondContact NH2-OD2 2.84Å; Y408-D426 HydrophobicContact CD1-CB 4.22Å; Y408-D426 HydrophobicContact CE1-CB 4Å; D426-A428 WeakPolarHBondContact OD1-CB 3.29Å; D426-A428 PolarHBondContact OD1-N 2.57Å; D426-R434 HydrophobicContact CB-CB 4.3Å; D426-R434 PolarHBondContact N-O 3.41Å
427	I	88.4	Confident	77.3	Confident	18 Å²	18	59.1 Å²	59.1	9%	0.092	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	7.1	-175.2	62	161.2	0	0	0	114.1	L367 I384 Y406 R407 I409 G429	L367-I427 HydrophobicContact CD2-CG2 4.05Å; I384-I427 HydrophobicContact CG2-CB 4.1Å; I384-I427 HydrophobicContact CG2-CG2 4.23Å; Y406-I427 HydrophobicContact CD2-CD1 4.42Å; Y406-I427 HydrophobicContact CE1-CD1 4.01Å; Y406-I427 HydrophobicContact CE2-CD1 3.7Å; Y406-I427 VanDerWaalsContact CZ-CD1 3.49Å; R407-I427 WeakPolarHBondContact O-CG1 3.44Å; R407-I427 PolarHBondContact O-N 2.95Å; I409-I427 HydrophobicContact CD1-CD1 4.43Å; I409-I427 HydrophobicContact CD1-CG2 3.94Å; I427-G429 VanDerWaalsContact C-N 3.34Å
428	A	81.4	Confident	78.2	Confident	62 Å²	62	59.4 Å²	59.4	51%	0.512	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-18.6	177.7	0	0	0	0	0	113.6	R407 D426	R407-A428 HydrophobicContact CG-CB 3.83Å; D426-A428 WeakPolarHBondContact OD1-CB 3.29Å; D426-A428 PolarHBondContact OD1-N 2.57Å
429	G	63.8	Low	79.1	Confident	42 Å²	42	63.6 Å²	63.6	43%	0.433	33%	0.326	S	S	.	.			trans	-76.5	124	-173.3	0	0	0	0	0	113.5	I427	I427-G429 VanDerWaalsContact C-N 3.34Å
430	K	54.4	Low	79.5	Confident	215 Å²	215	58.9 Å²	58.9	94%	0.935	31%	0.308	S	S	*	.	S	Bend	trans	-73.4	-24.6	172.4	-72.2	-172.5	177.3	-177	0	113.9
431	E	52.1	Low	79.1	Confident	205 Å²	205	65 Å²	65	96%	0.958	35%	0.346	S	S	*	.	S	Bend	trans	-100.4	4.8	-176	-65.8	-163.3	159.7	0	0	113.9
432	G	52.5	Low	78.1	Confident	40 Å²	40	73 Å²	73	41%	0.412	38%	0.383	S	S	.	.			trans	138.4	159.9	-173.8	0	0	0	0	0	111.4
433	Y	59	Low	76.9	Confident	58 Å²	58	76.4 Å²	76.4	23%	0.227	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-83.2	143.7	176	64.7	-59	0	0	0	109	P385 E387 L389 L425 T435	P385-Y433 HydrophobicContact CB-CD1 3.28Å; P385-Y433 HydrophobicContact CB-CE1 3.61Å; P385-Y433 HydrophobicContact CB-CG 4.01Å; P385-Y433 HydrophobicContact CG-CD1 3.55Å; P385-Y433 HydrophobicContact CG-CD2 4.25Å; P385-Y433 HydrophobicContact CG-CE1 3.66Å; P385-Y433 HydrophobicContact CG-CE2 4.27Å; P385-Y433 HydrophobicContact CG-CG 3.94Å; E387-Y433 PolarHBondContact OE2-OH 3.01Å; L389-Y433 HydrophobicContact CD1-CE2 4.39Å; L389-Y433 HydrophobicContact CD2-CE2 4.07Å; L425-Y433 HydrophobicContact CD2-CD2 4Å; L425-Y433 HydrophobicContact CD2-CE2 4.2Å; Y433-T435 HydrophobicContact CD2-CG2 3.16Å; Y433-T435 HydrophobicContact CE2-CG2 3Å; Y433-T435 HydrophobicContact CG-CG2 4.33Å
434	R	62.4	Low	75.7	Confident	197 Å²	197	79 Å²	79	74%	0.743	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93	122.6	164.1	-68.4	-176.8	-178.8	-176	-0	107.2	D426	D426-R434 HydrophobicContact CB-CB 4.3Å; D426-R434 PolarHBondContact N-O 3.41Å
435	T	76.3	Confident	74.6	Confident	65 Å²	65	78.5 Å²	78.5	40%	0.399	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	127.8	171.2	48	0	0	0	0	110.3	K424 L425 Y433	K424-T435 WeakPolarHBondContact O-CA 3.43Å; L425-T435 HydrophobicContact CD2-CG2 3.77Å; Y433-T435 HydrophobicContact CD2-CG2 3.16Å; Y433-T435 HydrophobicContact CE2-CG2 3Å; Y433-T435 HydrophobicContact CG-CG2 4.33Å
436	N	84.7	Confident	73.7	Confident	80 Å²	80	80 Å²	80	43%	0.428	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	139.8	154.4	-69.6	1.2	0	0	0	106.8	K424 M488	K424-N436 HydrophobicContact CB-CB 4.46Å; K424-N436 PolarHBondContact N-O 3.19Å; K424-N436 PolarHBondContact O-N 3.02Å; N436-M488 HydrophobicContact CB-CB 4.21Å; N436-M488 HydrophobicContact CB-CG 3.76Å
437	A	90.6	Very high	73.1	Confident	63 Å²	63	79.1 Å²	79.1	52%	0.521	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	136.7	176.2	0	0	0	0	0	108.7	V422 L423	V422-A437 CarbonylContact O-C 3.48Å; V422-A437 VanDerWaalsContact O-CA 3.29Å; V422-A437 WeakPolarHBondContact O-CA 3.45Å; L423-A437 HydrophobicContact CD2-CB 3.7Å
438	W	93.7	Very high	72.4	Confident	18 Å²	18	78.6 Å²	78.6	7%	0.068	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	140.8	164.8	174.6	87	0	0	0	109.1	S421 V422 P440 L447 Y481 I483 M488 E490	S421-W438 CarbonylContact C-O 3.57Å; S421-W438 WeakPolarHBondContact CA-O 3.12Å; S421-W438 WeakPolarHBondContact CB-O 3.32Å; V422-W438 HydrophobicContact CB-CE3 4.34Å; V422-W438 HydrophobicContact CG2-CE3 3.9Å; V422-W438 HydrophobicContact CG2-CZ3 4.25Å; V422-W438 PolarHBondContact N-O 2.61Å; V422-W438 PolarHBondContact O-N 2.78Å; W438-P440 HydrophobicContact CH2-CB 4.45Å; W438-P440 HydrophobicContact CH2-CG 3.5Å; W438-P440 VanDerWaalsContact CH2-CG 3.5Å; W438-P440 HydrophobicContact CZ2-CG 4.15Å; W438-P440 HydrophobicContact CZ3-CG 3.72Å; W438-L447 HydrophobicContact CE3-CD1 4.49Å; W438-L447 HydrophobicContact CZ3-CD1 4.11Å; W438-L447 HydrophobicContact CZ3-CD2 4.2Å; W438-Y481 AromaticContact CH2-CD1 3.67Å; W438-Y481 HydrophobicContact CH2-CD1 3.67Å; W438-Y481 AromaticContact CH2-CD2 3.83Å; W438-Y481 HydrophobicContact CH2-CD2 3.83Å; W438-Y481 HydrophobicContact CH2-CE1 4.1Å; W438-Y481 HydrophobicContact CH2-CE2 4.25Å; W438-Y481 AromaticContact CH2-CG 3.51Å; W438-Y481 HydrophobicContact CH2-CG 3.51Å; W438-Y481 AromaticContact CZ2-CD1 3.79Å; W438-Y481 HydrophobicContact CZ2-CD1 3.79Å; W438-Y481 HydrophobicContact CZ2-CE1 4.19Å; W438-Y481 HydrophobicContact CZ2-CG 4.09Å; W438-I483 HydrophobicContact CB-CD1 4.41Å; W438-I483 HydrophobicContact CB-CG2 4.38Å; W438-I483 HydrophobicContact CD2-CD1 3.43Å; W438-I483 VanDerWaalsContact CD2-CD1 3.43Å; W438-I483 HydrophobicContact CD2-CG1 3.99Å; W438-I483 HydrophobicContact CE3-CD1 3.21Å; W438-I483 HydrophobicContact CE3-CG1 4.18Å; W438-I483 HydrophobicContact CG-CD1 3.98Å; W438-I483 HydrophobicContact CG-CG1 4.42Å; W438-I483 HydrophobicContact CG-CG2 4.22Å; W438-I483 HydrophobicContact CH2-CD1 4.02Å; W438-I483 HydrophobicContact CH2-CG1 4.38Å; W438-I483 HydrophobicContact CZ2-CD1 4.26Å; W438-I483 HydrophobicContact CZ2-CG1 4.28Å; W438-I483 HydrophobicContact CZ3-CD1 3.52Å; W438-I483 HydrophobicContact CZ3-CG1 4.36Å; W438-M488 HydrophobicContact CB-CB 4.39Å; W438-M488 HydrophobicContact CB-CE 3.9Å; W438-E490 HydrophobicContact CZ2-CB 4.36Å; W438-E490 HydrophobicContact CZ2-CG 4.47Å
439	R	89.9	Confident	72	Confident	122 Å²	122	76.2 Å²	76.2	46%	0.46	39%	0.388	S	S	.	.			trans	-141.2	142.3	174.9	-176.3	172	173.2	168.4	-15.2	110.1	Y419 T441	Y419-R439 PolarHBondContact O-NH1 3.13Å; R439-T441 PolarHBondContact O-N 3.3Å
440	P	83.8	Confident	73.1	Confident	7 Å²	7	74.2 Å²	74.2	5%	0.045	37%	0.367	C	S	.	.			trans	-57.1	122.9	169.3	-27.7	39.7	0	0	0	110.6	W438 T445 L447 Y481	W438-P440 HydrophobicContact CH2-CB 4.45Å; W438-P440 HydrophobicContact CH2-CG 3.5Å; W438-P440 VanDerWaalsContact CH2-CG 3.5Å; W438-P440 HydrophobicContact CZ2-CG 4.15Å; W438-P440 HydrophobicContact CZ3-CG 3.72Å; P440-T445 HydrophobicContact CB-CG2 4.18Å; P440-T445 VanDerWaalsContact CB-OG1 3.22Å; P440-T445 WeakPolarHBondContact CB-OG1 3.32Å; P440-T445 HydrophobicContact CG-CG2 4.44Å; P440-T445 WeakPolarHBondContact CG-OG1 3.37Å; P440-L447 HydrophobicContact CG-CD2 3.99Å; P440-Y481 HydrophobicContact CG-CE2 4.26Å
441	T	74.6	Confident	74.7	Confident	129 Å²	129	64.2 Å²	64.2	79%	0.791	33%	0.325	S	S	*	.	S	Bend	trans	-84.6	-27.6	-172.3	43.2	0	0	0	0	113.6	R439	R439-T441 PolarHBondContact O-N 3.3Å
442	E	68.5	Low	76.6	Confident	175 Å²	175	55.2 Å²	55.2	82%	0.818	28%	0.283	S	S	*	.	S	Bend	trans	-105.9	-11.9	-166.9	-63	-173.1	170.9	0	0	114.5
443	K	69.8	Low	78.4	Confident	70 Å²	70	54 Å²	54	30%	0.304	27%	0.268	S	S	.	.	S	Bend	trans	-140.9	147.5	-164.2	-68.3	166.4	169.2	-117.8	0	112.1	T445 D472	K443-T445 HydrophobicContact CB-CG2 3.66Å; K443-T445 PolarHBondContact O-N 3.24Å; K443-T445 VanDerWaalsContact O-N 3.16Å; K443-D472 VanDerWaalsContact CD-OD2 3.3Å; K443-D472 WeakPolarHBondContact CD-OD2 3.37Å; K443-D472 WeakPolarHBondContact CE-OD2 3.38Å; K443-D472 IonicContact NZ-OD2 2.7Å; K443-D472 PolarHBondContact NZ-OD2 3.41Å
444	V	66.9	Low	79.9	Confident	62 Å²	62	54.7 Å²	54.7	38%	0.376	27%	0.273	S	S	.	.			trans	-75.5	101.3	165.1	175.5	0	0	0	0	107.7	A418 Y446 A473	A418-V444 HydrophobicContact CB-CG1 3.48Å; A418-V444 VanDerWaalsContact CB-CG1 3.48Å; V444-Y446 HydrophobicContact CG1-CE2 4.44Å; V444-A473 PolarHBondContact O-N 2.71Å
445	T	70.5	Confident	81.3	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.006	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	137.5	-174.3	49.3	0	0	0	0	111.2	S420 P440 K443 I471 D472	S420-T445 PolarHBondContact OG-O 3.11Å; P440-T445 HydrophobicContact CB-CG2 4.18Å; P440-T445 VanDerWaalsContact CB-OG1 3.22Å; P440-T445 WeakPolarHBondContact CB-OG1 3.32Å; P440-T445 HydrophobicContact CG-CG2 4.44Å; P440-T445 WeakPolarHBondContact CG-OG1 3.37Å; K443-T445 HydrophobicContact CB-CG2 3.66Å; K443-T445 PolarHBondContact O-N 3.24Å; K443-T445 VanDerWaalsContact O-N 3.16Å; T445-I471 VanDerWaalsContact CA-O 3.24Å; T445-I471 WeakPolarHBondContact CA-O 3.46Å; T445-D472 HydrophobicContact CG2-CB 4.43Å
446	Y	73.5	Confident	81.6	Confident	33 Å²	33	49.2 Å²	49.2	13%	0.129	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	123.6	169.6	-62.6	-89.3	0	0	0	108.7	F416 A417 A418 V444 A470 I471 A473	F416-Y446 WeakPolarHBondContact O-CE1 3.48Å; A417-Y446 VanDerWaalsContact C-CD1 3.45Å; A418-Y446 VanDerWaalsContact N-CE1 3.28Å; V444-Y446 HydrophobicContact CG1-CE2 4.44Å; Y446-A470 CarbonylContact O-C 3.5Å; Y446-A470 WeakPolarHBondContact O-CA 3.35Å; Y446-A470 WeakPolarHBondContact O-CB 3.35Å; Y446-I471 PolarHBondContact N-O 2.94Å; Y446-I471 PolarHBondContact O-N 2.84Å; Y446-A473 HydrophobicContact CD2-CB 3.93Å; Y446-A473 HydrophobicContact CE2-CB 3.47Å; Y446-A473 VanDerWaalsContact CE2-CB 3.47Å
447	L	78.4	Confident	81.8	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	133.2	178.9	-59.1	-175	0	0	0	110.4	V412 P415 S420 V422 W438 P440 V468 A470	V412-L447 HydrophobicContact CG1-CB 3.82Å; P415-L447 WeakPolarHBondContact CA-O 3.31Å; P415-L447 WeakPolarHBondContact CB-O 3.14Å; P415-L447 VanDerWaalsContact O-O 3.07Å; S420-L447 VanDerWaalsContact OG-CG 3.29Å; S420-L447 WeakPolarHBondContact OG-CG 3.32Å; S420-L447 PolarHBondContact OG-N 3.18Å; V422-L447 HydrophobicContact CG2-CD1 3.72Å; W438-L447 HydrophobicContact CE3-CD1 4.49Å; W438-L447 HydrophobicContact CZ3-CD1 4.11Å; W438-L447 HydrophobicContact CZ3-CD2 4.2Å; P440-L447 HydrophobicContact CG-CD2 3.99Å; L447-V468 HydrophobicContact CB-CG1 4.3Å; L447-V468 HydrophobicContact CD2-CG1 3.87Å; L447-V468 HydrophobicContact CG-CG1 4.45Å; L447-A470 HydrophobicContact CD2-CB 3.75Å
448	N	74.2	Confident	81.8	Confident	7 Å²	7	52.8 Å²	52.8	4%	0.037	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-179.3	175.3	-61.6	-61.5	0	0	0	110.9	V412 I450 S469 G551 S552	V412-N448 WeakPolarHBondContact CG2-O 3.25Å; N448-I450 PolarHBondContact O-N 3.11Å; N448-S469 WeakPolarHBondContact CB-O 3.46Å; N448-S469 PolarHBondContact N-O 2.88Å; N448-S469 PolarHBondContact ND2-O 3.4Å; N448-G551 VanDerWaalsContact CG-CA 3.47Å; N448-G551 WeakPolarHBondContact OD1-CA 3.45Å; N448-S552 PolarHBondContact OD1-N 2.88Å
449	E	73	Confident	81.8	Confident	11 Å²	11	61.3 Å²	61.3	5%	0.051	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-46	143.6	175.5	-150.8	-171.2	-168.4	0	0	111.4	R26 Y393 G555 M556 S557	R26-E449 IonicContact CZ-OE2 2.86Å; R26-E449 IonicContact NH1-OE2 2.54Å; R26-E449 PolarHBondContact NH1-OE2 3.34Å; R26-E449 VanDerWaalsContact NH2-CA 3.26Å; R26-E449 PolarHBondContact NH2-O 2.75Å; R26-E449 IonicContact NH2-OE2 3.15Å; Y393-E449 HydrophobicContact CD1-CB 4.02Å; Y393-E449 HydrophobicContact CD1-CG 3.74Å; Y393-E449 HydrophobicContact CD2-CB 4.22Å; Y393-E449 HydrophobicContact CG-CB 3.82Å; Y393-E449 HydrophobicContact CG-CG 3.74Å; E449-G555 PolarHBondContact OE1-N 3.04Å; E449-G555 PolarHBondContact OE2-N 3.47Å; E449-M556 PolarHBondContact OE1-N 3.24Å; E449-M556 PolarHBondContact OE2-N 3.03Å; E449-S557 PolarHBondContact OE2-N 3.48Å
450	I	85.5	Confident	82.1	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	164	-173.2	47	175.9	0	0	0	110.2	V395 V412 V422 N448 L467 V468 S557	V395-I450 HydrophobicContact CB-CG1 4.45Å; V395-I450 HydrophobicContact CG1-CG1 4.02Å; V395-I450 WeakPolarHBondContact CG1-O 3.28Å; V395-I450 HydrophobicContact CG2-CB 4.47Å; V395-I450 HydrophobicContact CG2-CD1 3.55Å; V395-I450 HydrophobicContact CG2-CG1 3.59Å; V412-I450 HydrophobicContact CG2-CD1 4.49Å; V412-I450 HydrophobicContact CG2-CG1 4.37Å; V412-I450 HydrophobicContact CG2-CG2 3.95Å; V422-I450 HydrophobicContact CG1-CD1 4.08Å; V422-I450 HydrophobicContact CG2-CG2 4.34Å; N448-I450 PolarHBondContact O-N 3.11Å; I450-L467 CarbonylContact C-O 3.5Å; I450-L467 WeakPolarHBondContact CA-O 3.42Å; I450-V468 HydrophobicContact CG2-CB 4.06Å; I450-V468 HydrophobicContact CG2-CG1 3.78Å; I450-V468 HydrophobicContact CG2-CG2 3.63Å; I450-S557 PolarHBondContact O-OG 3.39Å
451	A	88.5	Confident	82.7	Confident	6 Å²	6	57.4 Å²	57.4	5%	0.05	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	140.6	164.6	0	0	0	0	0	110.7	F24 L466 L467	F24-A451 HydrophobicContact CD2-CB 4.28Å; F24-A451 HydrophobicContact CE2-CB 3.68Å; A451-L466 CarbonylContact O-C 3.33Å; A451-L466 VanDerWaalsContact O-CA 3.28Å; A451-L466 WeakPolarHBondContact O-CA 3.47Å; A451-L467 HydrophobicContact CB-CB 4.47Å; A451-L467 PolarHBondContact N-O 2.83Å; A451-L467 PolarHBondContact O-N 2.84Å
452	F	92.1	Very high	83.7	Confident	15 Å²	15	51.9 Å²	51.9	7%	0.066	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	131.6	168.3	-172.7	-80.2	0	0	0	110.3	N397 Y410 Q454 E461 L466 A485	N397-F452 HydrophobicContact CB-CD1 3.76Å; N397-F452 HydrophobicContact CB-CE1 3.56Å; N397-F452 HydrophobicContact CB-CE2 4.35Å; N397-F452 HydrophobicContact CB-CG 4.25Å; N397-F452 HydrophobicContact CB-CZ 3.89Å; N397-F452 WeakPolarHBondContact ND2-CE1 3.38Å; Y410-F452 HydrophobicContact CD2-CD2 4.05Å; Y410-F452 AromaticContact CE2-CD2 3.59Å; Y410-F452 HydrophobicContact CE2-CD2 3.59Å; Y410-F452 AromaticContact CE2-CE2 3.77Å; Y410-F452 HydrophobicContact CE2-CE2 3.77Å; F452-Q454 HydrophobicContact CE1-CB 3.92Å; F452-Q454 HydrophobicContact CE1-CG 4.46Å; F452-E461 VanDerWaalsContact CZ-O 3.27Å; F452-E461 WeakPolarHBondContact CZ-O 3.34Å; F452-L466 HydrophobicContact CB-CD2 4.28Å; F452-L466 HydrophobicContact CD2-CD2 3.85Å; F452-A485 HydrophobicContact CD2-CB 4.08Å; F452-A485 HydrophobicContact CE2-CB 3.52Å; F452-A485 HydrophobicContact CZ-CB 4.41Å
453	V	91.2	Very high	85	Confident	16 Å²	16	45.4 Å²	45.4	10%	0.097	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	113.6	173.8	-175.3	0	0	0	0	108.7	W19 L20 G464 I465 L467 L559	W19-V453 HydrophobicContact CH2-CG1 3.97Å; W19-V453 HydrophobicContact CZ3-CG1 4.01Å; L20-V453 HydrophobicContact CD1-CG1 4.06Å; V453-G464 CarbonylContact O-C 3.48Å; V453-G464 WeakPolarHBondContact O-CA 3.45Å; V453-I465 HydrophobicContact CB-CD1 4.34Å; V453-I465 HydrophobicContact CB-CG1 3.79Å; V453-I465 HydrophobicContact CG2-CG1 4.45Å; V453-I465 PolarHBondContact N-O 3.04Å; V453-I465 PolarHBondContact O-N 3.2Å; V453-L467 HydrophobicContact CG2-CD1 3.8Å; V453-L467 HydrophobicContact CG2-CG 4.02Å; V453-L559 HydrophobicContact CB-CD2 4.32Å; V453-L559 HydrophobicContact CG1-CD2 3.59Å; V453-L559 HydrophobicContact CG2-CB 4.17Å; V453-L559 HydrophobicContact CG2-CD2 3.72Å; V453-L559 HydrophobicContact CG2-CG 4.5Å
454	Q	90	Very high	86.3	Confident	72 Å²	72	42.1 Å²	42.1	34%	0.336	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	141.9	-179.9	-167.9	170.1	41.7	0	0	111.5	N397 F452 A458	N397-Q454 PolarHBondContact ND2-NE2 3.48Å; N397-Q454 VanDerWaalsContact ND2-NE2 3.17Å; F452-Q454 HydrophobicContact CE1-CB 3.92Å; F452-Q454 HydrophobicContact CE1-CG 4.46Å; Q454-A458 HydrophobicContact CG-CB 3.34Å
455	F	90.7	Very high	87.6	Confident	48 Å²	48	39.1 Å²	39.1	21%	0.211	20%	0.197	C	C	.	.			trans	-63.7	143.3	170	-66.8	-44.2	0	0	0	110.6	W19 K457 A458 E463 G464 I465	W19-F455 AromaticContact CE2-CD1 3.88Å; W19-F455 AromaticContact CH2-CD1 3.94Å; W19-F455 HydrophobicContact CH2-CD1 3.94Å; W19-F455 HydrophobicContact CH2-CE1 4.36Å; W19-F455 AromaticContact CZ2-CD1 3.42Å; W19-F455 HydrophobicContact CZ2-CD1 3.42Å; W19-F455 VanDerWaalsContact CZ2-CD1 3.42Å; W19-F455 AromaticContact CZ2-CE1 3.54Å; W19-F455 HydrophobicContact CZ2-CE1 3.54Å; F455-K457 PolarHBondContact O-N 3.26Å; F455-A458 HydrophobicContact CB-CB 4.28Å; F455-A458 VanDerWaalsContact O-CB 3.31Å; F455-A458 WeakPolarHBondContact O-CB 3.42Å; F455-A458 PolarHBondContact O-N 2.65Å; F455-E463 HydrophobicContact CD2-CB 3.89Å; F455-E463 WeakPolarHBondContact CD2-O 3.48Å; F455-E463 PolarHBondContact N-O 2.75Å; F455-G464 WeakPolarHBondContact CZ-O 3.24Å; F455-I465 HydrophobicContact CE1-CG2 3.6Å; F455-I465 HydrophobicContact CZ-CG2 3.93Å
456	P	83.9	Confident	88.8	Confident	98 Å²	98	39.1 Å²	39.1	64%	0.636	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-22.9	-177.3	-28.6	34.9	0	0	0	115.8	W19	W19-P456 HydrophobicContact CD2-CG 4.48Å; W19-P456 HydrophobicContact CE3-CG 3.95Å
457	K	88.8	Confident	89.7	Confident	191 Å²	191	37.5 Å²	37.5	83%	0.83	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.9	28.5	179.7	-60.7	-174.5	-179.6	-179.8	0	112.4	F455 K459	F455-K457 PolarHBondContact O-N 3.26Å; K457-K459 PolarHBondContact O-N 2.87Å
458	A	90.9	Very high	90.2	Very high	28 Å²	28	37.5 Å²	37.5	23%	0.231	19%	0.19	C	C	.	.			trans	-56.9	133.4	178.9	0	0	0	0	0	111.9	Q454 F455 E463	Q454-A458 HydrophobicContact CG-CB 3.34Å; F455-A458 HydrophobicContact CB-CB 4.28Å; F455-A458 VanDerWaalsContact O-CB 3.31Å; F455-A458 WeakPolarHBondContact O-CB 3.42Å; F455-A458 PolarHBondContact O-N 2.65Å; A458-E463 WeakPolarHBondContact CA-OE2 3.06Å; A458-E463 HydrophobicContact CB-CB 3.63Å; A458-E463 WeakPolarHBondContact CB-O 3.45Å
459	K	93.1	Very high	90.6	Very high	197 Å²	197	37.5 Å²	37.5	86%	0.857	19%	0.19	S	C	*	.			trans	-108.7	-23.3	174.2	-64	-175.6	179	-178.7	0	112.6	K457 E463	K457-K459 PolarHBondContact O-N 2.87Å; K459-E463 PolarHBondContact N-OE2 3.25Å
460	A	95.3	Very high	90.9	Very high	33 Å²	33	37 Å²	37	27%	0.273	19%	0.189	S	C	.	.	S	Bend	trans	-115.6	162.8	175.3	0	0	0	0	0	111.6	D462 E463 R486	A460-D462 VanDerWaalsContact C-N 3.32Å; A460-D462 PolarHBondContact O-N 3.24Å; A460-E463 HydrophobicContact CB-CG 4.04Å; A460-E463 PolarHBondContact N-OE2 2.83Å; A460-E463 PolarHBondContact O-N 3.38Å; A460-R486 VanDerWaalsContact CB-NH2 3.32Å
461	E	96.4	Very high	90.4	Very high	14 Å²	14	37.5 Å²	37.5	7%	0.065	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-40.3	-178.5	-178.9	-178	170.1	0	0	113.3	N397 F400 Y406 R407 Y408 F452 E463	N397-E461 HydrophobicContact CB-CG 4.22Å; N397-E461 PolarHBondContact ND2-O 2.76Å; F400-E461 HydrophobicContact CD1-CB 4.34Å; F400-E461 HydrophobicContact CD1-CG 4.04Å; F400-E461 HydrophobicContact CD2-CB 4.22Å; F400-E461 HydrophobicContact CD2-CG 3.8Å; F400-E461 HydrophobicContact CE1-CB 3.87Å; F400-E461 HydrophobicContact CE1-CG 4.09Å; F400-E461 HydrophobicContact CE2-CB 3.75Å; F400-E461 HydrophobicContact CE2-CG 3.87Å; F400-E461 HydrophobicContact CG-CG 3.89Å; F400-E461 HydrophobicContact CZ-CB 3.55Å; F400-E461 HydrophobicContact CZ-CG 4Å; Y406-E461 WeakPolarHBondContact CA-OE2 3.35Å; R407-E461 WeakPolarHBondContact CB-OE2 3.48Å; R407-E461 PolarHBondContact N-OE1 3.23Å; R407-E461 PolarHBondContact N-OE2 2.7Å; Y408-E461 HydrophobicContact CD2-CB 4.14Å; Y408-E461 HydrophobicContact CD2-CG 4.03Å; Y408-E461 HydrophobicContact CE2-CB 4.48Å; Y408-E461 PolarHBondContact N-OE1 3.21Å; F452-E461 VanDerWaalsContact CZ-O 3.27Å; F452-E461 WeakPolarHBondContact CZ-O 3.34Å; E461-E463 VanDerWaalsContact C-N 3.34Å
462	D	96.4	Very high	89.7	Confident	12 Å²	12	37.6 Å²	37.6	6%	0.064	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	9.6	-177.4	68.1	-10.6	0	0	0	114	Y408 Y410 K424 A460 G464 R486	Y408-D462 HydrophobicContact CD2-CB 3.81Å; Y408-D462 HydrophobicContact CE2-CB 3.89Å; Y408-D462 HydrophobicContact CG-CB 4.48Å; Y410-D462 WeakPolarHBondContact OH-CB 3.33Å; K424-D462 IonicContact NZ-OD2 3.39Å; K424-D462 PolarHBondContact NZ-OD2 3.14Å; A460-D462 VanDerWaalsContact C-N 3.32Å; A460-D462 PolarHBondContact O-N 3.24Å; D462-G464 VanDerWaalsContact C-N 3.34Å; D462-G464 PolarHBondContact O-N 2.78Å; D462-R486 HydrophobicContact CB-CB 4.45Å; D462-R486 PolarHBondContact O-N 2.94Å; D462-R486 IonicContact OD1-CZ 2.71Å; D462-R486 IonicContact OD1-NE 3.85Å; D462-R486 PolarHBondContact OD1-NE 2.87Å; D462-R486 VanDerWaalsContact OD1-NE 3.11Å; D462-R486 IonicContact OD1-NH2 3.85Å; D462-R486 PolarHBondContact OD1-NH2 3.15Å; D462-R486 VanDerWaalsContact OD1-NH2 3.1Å; D462-R486 IonicContact OD2-NE 3.7Å
463	E	96.5	Very high	88.4	Confident	40 Å²	40	37.3 Å²	37.3	19%	0.187	19%	0.191	C	C	.	.			trans	-80	83.3	173	-73.5	-172.7	174.5	0	0	110.8	F455 A458 K459 A460 E461 R486	F455-E463 HydrophobicContact CD2-CB 3.89Å; F455-E463 WeakPolarHBondContact CD2-O 3.48Å; F455-E463 PolarHBondContact N-O 2.75Å; A458-E463 WeakPolarHBondContact CA-OE2 3.06Å; A458-E463 HydrophobicContact CB-CB 3.63Å; A458-E463 WeakPolarHBondContact CB-O 3.45Å; K459-E463 PolarHBondContact N-OE2 3.25Å; A460-E463 HydrophobicContact CB-CG 4.04Å; A460-E463 PolarHBondContact N-OE2 2.83Å; A460-E463 PolarHBondContact O-N 3.38Å; E461-E463 VanDerWaalsContact C-N 3.34Å; E463-R486 VanDerWaalsContact CD-NH2 3.31Å; E463-R486 VanDerWaalsContact CG-CZ 3.43Å; E463-R486 IonicContact OE1-CZ 2.73Å; E463-R486 VanDerWaalsContact OE1-CZ 3.26Å; E463-R486 IonicContact OE1-NH1 3.26Å; E463-R486 PolarHBondContact OE1-NH1 3.02Å; E463-R486 IonicContact OE1-NH2 3.42Å; E463-R486 PolarHBondContact OE1-NH2 2.58Å
464	G	95.6	Very high	87.3	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.9	-165.8	176.6	0	0	0	0	0	111.9	V453 F455 D462 A485	V453-G464 CarbonylContact O-C 3.48Å; V453-G464 WeakPolarHBondContact O-CA 3.45Å; F455-G464 WeakPolarHBondContact CZ-O 3.24Å; D462-G464 VanDerWaalsContact C-N 3.34Å; D462-G464 PolarHBondContact O-N 2.78Å; G464-A485 WeakPolarHBondContact O-CB 3.33Å; G464-A485 PolarHBondContact O-N 2.79Å
465	I	95.4	Very high	86.4	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	156	175.5	60.3	176.7	0	0	0	110.7	W19 L20 V453 F455 L467 V482 I483 M491	W19-I465 HydrophobicContact CH2-CD1 3.68Å; W19-I465 HydrophobicContact CH2-CG1 3.98Å; W19-I465 HydrophobicContact CZ2-CD1 3.74Å; W19-I465 HydrophobicContact CZ2-CG1 4.16Å; W19-I465 HydrophobicContact CZ2-CG2 4.15Å; L20-I465 HydrophobicContact CD1-CD1 4.17Å; L20-I465 HydrophobicContact CD2-CD1 3.83Å; V453-I465 HydrophobicContact CB-CD1 4.34Å; V453-I465 HydrophobicContact CB-CG1 3.79Å; V453-I465 HydrophobicContact CG2-CG1 4.45Å; V453-I465 PolarHBondContact N-O 3.04Å; V453-I465 PolarHBondContact O-N 3.2Å; F455-I465 HydrophobicContact CE1-CG2 3.6Å; F455-I465 HydrophobicContact CZ-CG2 3.93Å; I465-L467 HydrophobicContact CD1-CD2 3.94Å; I465-V482 HydrophobicContact CB-CG1 3.95Å; I465-V482 HydrophobicContact CD1-CG1 3.74Å; I465-V482 HydrophobicContact CG1-CG1 4.38Å; I465-V482 HydrophobicContact CG2-CG1 4Å; I465-I483 CarbonylContact C-O 3.55Å; I465-I483 WeakPolarHBondContact CA-O 3.27Å; I465-I483 WeakPolarHBondContact CB-O 3.26Å; I465-M491 HydrophobicContact CG2-CE 4.47Å; I465-M491 HydrophobicContact CG2-SD 3.48Å; I465-M491 WeakPolarHBondContact CG2-SD 3.15Å
466	L	95	Very high	85.3	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	130.7	163.6	-54.1	172.2	0	0	0	108.9	Y410 V422 A451 F452 V468 V482 I483 A485 M488	Y410-L466 HydrophobicContact CD1-CD1 3.55Å; Y410-L466 HydrophobicContact CD1-CD2 3.96Å; Y410-L466 HydrophobicContact CD1-CG 4.28Å; Y410-L466 HydrophobicContact CD2-CD2 4.02Å; Y410-L466 HydrophobicContact CE1-CD1 4.11Å; Y410-L466 HydrophobicContact CE1-CD2 4.38Å; Y410-L466 HydrophobicContact CE2-CD2 4.47Å; Y410-L466 HydrophobicContact CG-CD1 4.05Å; Y410-L466 HydrophobicContact CG-CD2 3.76Å; V422-L466 HydrophobicContact CG1-CD1 3.77Å; A451-L466 CarbonylContact O-C 3.33Å; A451-L466 VanDerWaalsContact O-CA 3.28Å; A451-L466 WeakPolarHBondContact O-CA 3.47Å; F452-L466 HydrophobicContact CB-CD2 4.28Å; F452-L466 HydrophobicContact CD2-CD2 3.85Å; L466-V468 HydrophobicContact CB-CG2 4.29Å; L466-V482 WeakPolarHBondContact O-CA 3.29Å; L466-I483 HydrophobicContact CB-CB 4.25Å; L466-I483 PolarHBondContact N-O 2.93Å; L466-I483 PolarHBondContact O-N 3.46Å; L466-A485 HydrophobicContact CD2-CB 4.3Å; L466-A485 HydrophobicContact CG-CB 4.06Å; L466-M488 HydrophobicContact CD1-CE 4.43Å; L466-M488 HydrophobicContact CD1-SD 4.15Å
467	L	92.3	Very high	84.8	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	122.1	167.1	-62.3	-177	0	0	0	108.5	L20 F24 I57 I450 A451 V453 I465 L480 V482 L559	L20-L467 HydrophobicContact CD2-CD2 3.95Å; F24-L467 HydrophobicContact CB-CD1 4.02Å; F24-L467 HydrophobicContact CD2-CB 4.26Å; F24-L467 HydrophobicContact CD2-CD1 3.88Å; F24-L467 HydrophobicContact CE1-CB 4.28Å; F24-L467 HydrophobicContact CE2-CB 3.93Å; F24-L467 HydrophobicContact CE2-CD1 4.39Å; F24-L467 HydrophobicContact CG-CD1 3.93Å; F24-L467 HydrophobicContact CZ-CB 3.93Å; I57-L467 HydrophobicContact CD1-CD1 4.41Å; I450-L467 CarbonylContact C-O 3.5Å; I450-L467 WeakPolarHBondContact CA-O 3.42Å; A451-L467 HydrophobicContact CB-CB 4.47Å; A451-L467 PolarHBondContact N-O 2.83Å; A451-L467 PolarHBondContact O-N 2.84Å; V453-L467 HydrophobicContact CG2-CD1 3.8Å; V453-L467 HydrophobicContact CG2-CG 4.02Å; I465-L467 HydrophobicContact CD1-CD2 3.94Å; L467-L480 HydrophobicContact CB-CD1 4.22Å; L467-V482 HydrophobicContact CD2-CG2 3.91Å; L467-L559 HydrophobicContact CD1-CD1 4.21Å
468	V	88.9	Confident	84.3	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	109.2	-175.6	-168.2	0	0	0	0	109.4	V422 L447 I450 L466 L480 Y481 I483	V422-V468 HydrophobicContact CG2-CG1 4.24Å; V422-V468 HydrophobicContact CG2-CG2 4.11Å; L447-V468 HydrophobicContact CB-CG1 4.3Å; L447-V468 HydrophobicContact CD2-CG1 3.87Å; L447-V468 HydrophobicContact CG-CG1 4.45Å; I450-V468 HydrophobicContact CG2-CB 4.06Å; I450-V468 HydrophobicContact CG2-CG1 3.78Å; I450-V468 HydrophobicContact CG2-CG2 3.63Å; L466-V468 HydrophobicContact CB-CG2 4.29Å; V468-L480 WeakPolarHBondContact O-CA 3.04Å; V468-Y481 PolarHBondContact N-O 2.86Å; V468-Y481 PolarHBondContact O-N 2.9Å; V468-I483 HydrophobicContact CG2-CD1 3.47Å; V468-I483 VanDerWaalsContact CG2-CD1 3.47Å; V468-I483 HydrophobicContact CG2-CG1 4.24Å
469	S	82.1	Confident	84	Confident	6 Å²	6	28.6 Å²	28.6	4%	0.042	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	130.6	169.5	51.7	0	0	0	0	109.6	R26 N448 F479	R26-S469 PolarHBondContact NE-OG 2.82Å; R26-S469 VanDerWaalsContact NE-OG 3.12Å; N448-S469 WeakPolarHBondContact CB-O 3.46Å; N448-S469 PolarHBondContact N-O 2.88Å; N448-S469 PolarHBondContact ND2-O 3.4Å; S469-F479 WeakPolarHBondContact CA-O 3.36Å
470	A	80.5	Confident	83.7	Confident	2 Å²	2	19.2 Å²	19.2	2%	0.017	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	162.3	-177.9	0	0	0	0	0	111.7	Y446 L447 F479 Y481	Y446-A470 CarbonylContact O-C 3.5Å; Y446-A470 WeakPolarHBondContact O-CA 3.35Å; Y446-A470 WeakPolarHBondContact O-CB 3.35Å; L447-A470 HydrophobicContact CD2-CB 3.75Å; A470-F479 HydrophobicContact CB-CB 4.26Å; A470-F479 PolarHBondContact N-O 2.88Å; A470-F479 PolarHBondContact O-N 2.76Å; A470-Y481 HydrophobicContact CB-CD2 3.86Å; A470-Y481 HydrophobicContact CB-CE2 3.69Å
471	I	74.6	Confident	83.6	Confident	10 Å²	10	18.1 Å²	18.1	5%	0.051	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	124.2	171.6	-65.1	169.7	0	0	0	107.8	T445 Y446 A473 I501 R550	T445-I471 VanDerWaalsContact CA-O 3.24Å; T445-I471 WeakPolarHBondContact CA-O 3.46Å; Y446-I471 PolarHBondContact N-O 2.94Å; Y446-I471 PolarHBondContact O-N 2.84Å; I471-A473 PolarHBondContact O-N 2.98Å; I471-I501 HydrophobicContact CD1-CD1 3.86Å; I471-R550 HydrophobicContact CD1-CB 3.99Å
472	D	74.3	Confident	83.5	Confident	7 Å²	7	17.4 Å²	17.4	4%	0.037	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	106.2	164.6	179.3	-16.1	0	0	0	107.6	K443 T445 T474 A475 N476 Q477 F479	K443-D472 VanDerWaalsContact CD-OD2 3.3Å; K443-D472 WeakPolarHBondContact CD-OD2 3.37Å; K443-D472 WeakPolarHBondContact CE-OD2 3.38Å; K443-D472 IonicContact NZ-OD2 2.7Å; K443-D472 PolarHBondContact NZ-OD2 3.41Å; T445-D472 HydrophobicContact CG2-CB 4.43Å; D472-T474 VanDerWaalsContact C-N 3.27Å; D472-T474 PolarHBondContact O-N 2.7Å; D472-T474 WeakPolarHBondContact OD1-CB 3.41Å; D472-T474 PolarHBondContact OD1-N 3.43Å; D472-A475 HydrophobicContact CB-CB 4.36Å; D472-A475 PolarHBondContact OD1-N 2.96Å; D472-A475 VanDerWaalsContact OD1-N 3.08Å; D472-N476 WeakPolarHBondContact O-CA 3.49Å; D472-N476 PolarHBondContact O-N 2.8Å; D472-Q477 PolarHBondContact N-O 2.71Å; D472-Q477 PolarHBondContact O-N 2.9Å; D472-F479 HydrophobicContact CB-CD2 3.97Å; D472-F479 HydrophobicContact CB-CE2 3.81Å
473	A	63.9	Low	83.4	Confident	10 Å²	10	16.9 Å²	16.9	8%	0.083	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-22	-176.8	0	0	0	0	0	113	V444 Y446 I471 L544	V444-A473 PolarHBondContact O-N 2.71Å; Y446-A473 HydrophobicContact CD2-CB 3.93Å; Y446-A473 HydrophobicContact CE2-CB 3.47Å; Y446-A473 VanDerWaalsContact CE2-CB 3.47Å; I471-A473 PolarHBondContact O-N 2.98Å; A473-L544 WeakPolarHBondContact O-CD2 3.39Å
474	T	68.3	Low	83.4	Confident	118 Å²	118	16.4 Å²	16.4	72%	0.724	10%	0.102	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-41.1	179.3	-48.4	0	0	0	0	110.4	D472	D472-T474 VanDerWaalsContact C-N 3.27Å; D472-T474 PolarHBondContact O-N 2.7Å; D472-T474 WeakPolarHBondContact OD1-CB 3.41Å; D472-T474 PolarHBondContact OD1-N 3.43Å
475	A	70.9	Confident	83.5	Confident	57 Å²	57	16.4 Å²	16.4	47%	0.471	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-6.2	177.9	0	0	0	0	0	113.6	D472 Q477	D472-A475 HydrophobicContact CB-CB 4.36Å; D472-A475 PolarHBondContact OD1-N 2.96Å; D472-A475 VanDerWaalsContact OD1-N 3.08Å; A475-Q477 HydrophobicContact CB-CB 3.97Å; A475-Q477 PolarHBondContact O-N 3.34Å
476	N	67.3	Low	83.5	Confident	32 Å²	32	21.1 Å²	21.1	17%	0.171	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.4	53.8	-166	-169.9	13.7	0	0	0	111	D472 A499 T500 A547	D472-N476 WeakPolarHBondContact O-CA 3.49Å; D472-N476 PolarHBondContact O-N 2.8Å; N476-A499 CarbonylContact O-C 3.58Å; N476-T500 WeakPolarHBondContact ND2-CG2 3.33Å; N476-A547 WeakPolarHBondContact OD1-CB 3.41Å
477	Q	73.9	Confident	83.5	Confident	40 Å²	40	24.1 Å²	24.1	19%	0.187	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	129.8	-172.8	-168.5	178.8	15	0	0	110.7	D472 A475 F479 S495 I496	D472-Q477 PolarHBondContact N-O 2.71Å; D472-Q477 PolarHBondContact O-N 2.9Å; A475-Q477 HydrophobicContact CB-CB 3.97Å; A475-Q477 PolarHBondContact O-N 3.34Å; Q477-F479 HydrophobicContact CB-CE2 4.07Å; Q477-F479 HydrophobicContact CG-CE2 4.04Å; Q477-F479 WeakPolarHBondContact O-CD2 3.48Å; Q477-S495 PolarHBondContact NE2-OG 3.46Å; Q477-I496 WeakPolarHBondContact CG-O 3.43Å; Q477-I496 PolarHBondContact NE2-O 2.93Å
478	G	78.5	Confident	83.6	Confident	11 Å²	11	24.7 Å²	24.7	11%	0.113	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	145.5	173.3	0	0	0	0	0	112.8	I496	G478-I496 WeakPolarHBondContact O-CG1 3.42Å; G478-I496 PolarHBondContact O-N 3.36Å
479	F	83.9	Confident	83.9	Confident	11 Å²	11	30.8 Å²	30.8	5%	0.048	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	150.6	178.6	-83	-95.2	0	0	0	111.4	S469 A470 D472 Q477 Y481 A494 S495	S469-F479 WeakPolarHBondContact CA-O 3.36Å; A470-F479 HydrophobicContact CB-CB 4.26Å; A470-F479 PolarHBondContact N-O 2.88Å; A470-F479 PolarHBondContact O-N 2.76Å; D472-F479 HydrophobicContact CB-CD2 3.97Å; D472-F479 HydrophobicContact CB-CE2 3.81Å; Q477-F479 HydrophobicContact CB-CE2 4.07Å; Q477-F479 HydrophobicContact CG-CE2 4.04Å; Q477-F479 WeakPolarHBondContact O-CD2 3.48Å; F479-Y481 HydrophobicContact CB-CD2 4.29Å; F479-Y481 HydrophobicContact CB-CE2 3.87Å; F479-Y481 HydrophobicContact CG-CE2 4.42Å; F479-A494 WeakPolarHBondContact CA-O 3.47Å; F479-S495 VanDerWaalsContact CZ-CB 3.48Å
480	L	87.9	Confident	84.5	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	113.3	162.5	176.4	65.7	0	0	0	108	F24 Y55 I57 V62 L467 V468 N493 A494	F24-L480 HydrophobicContact CD1-CD1 3.68Å; F24-L480 HydrophobicContact CE1-CD1 3.51Å; F24-L480 HydrophobicContact CZ-CD1 4.46Å; Y55-L480 HydrophobicContact CD1-CB 4.09Å; Y55-L480 HydrophobicContact CD1-CD2 3.92Å; Y55-L480 HydrophobicContact CD1-CG 4.46Å; Y55-L480 HydrophobicContact CE1-CB 3.83Å; Y55-L480 HydrophobicContact CE1-CD2 4.48Å; Y55-L480 HydrophobicContact CG-CD2 4.37Å; I57-L480 HydrophobicContact CD1-CD2 3.89Å; V62-L480 HydrophobicContact CG1-CD2 4.27Å; L467-L480 HydrophobicContact CB-CD1 4.22Å; V468-L480 WeakPolarHBondContact O-CA 3.04Å; L480-N493 CarbonylContact O-C 3.56Å; L480-N493 WeakPolarHBondContact O-CA 3.34Å; L480-A494 HydrophobicContact CB-CB 4.43Å; L480-A494 PolarHBondContact N-O 3.28Å; L480-A494 PolarHBondContact O-N 3.5Å
481	Y	92.1	Very high	85.2	Confident	10 Å²	10	37.2 Å²	37.2	4%	0.039	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	146.2	171.6	-66.6	-84.6	0	0	0	111	W438 P440 V468 A470 F479 E490 N493	W438-Y481 AromaticContact CH2-CD1 3.67Å; W438-Y481 HydrophobicContact CH2-CD1 3.67Å; W438-Y481 AromaticContact CH2-CD2 3.83Å; W438-Y481 HydrophobicContact CH2-CD2 3.83Å; W438-Y481 HydrophobicContact CH2-CE1 4.1Å; W438-Y481 HydrophobicContact CH2-CE2 4.25Å; W438-Y481 AromaticContact CH2-CG 3.51Å; W438-Y481 HydrophobicContact CH2-CG 3.51Å; W438-Y481 AromaticContact CZ2-CD1 3.79Å; W438-Y481 HydrophobicContact CZ2-CD1 3.79Å; W438-Y481 HydrophobicContact CZ2-CE1 4.19Å; W438-Y481 HydrophobicContact CZ2-CG 4.09Å; P440-Y481 HydrophobicContact CG-CE2 4.26Å; V468-Y481 PolarHBondContact N-O 2.86Å; V468-Y481 PolarHBondContact O-N 2.9Å; A470-Y481 HydrophobicContact CB-CD2 3.86Å; A470-Y481 HydrophobicContact CB-CE2 3.69Å; F479-Y481 HydrophobicContact CB-CD2 4.29Å; F479-Y481 HydrophobicContact CB-CE2 3.87Å; F479-Y481 HydrophobicContact CG-CE2 4.42Å; Y481-E490 HydrophobicContact CD1-CG 4.43Å; Y481-N493 HydrophobicContact CD1-CB 3.86Å; Y481-N493 HydrophobicContact CE1-CB 4.19Å
482	V	94.2	Very high	86.1	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	115.6	171.2	-176.3	0	0	0	0	107.7	I16 P17 I465 L466 L467 M491 G492	I16-V482 HydrophobicContact CD1-CG2 3.63Å; P17-V482 HydrophobicContact CG-CG1 4.18Å; I465-V482 HydrophobicContact CB-CG1 3.95Å; I465-V482 HydrophobicContact CD1-CG1 3.74Å; I465-V482 HydrophobicContact CG1-CG1 4.38Å; I465-V482 HydrophobicContact CG2-CG1 4Å; L466-V482 WeakPolarHBondContact O-CA 3.29Å; L467-V482 HydrophobicContact CD2-CG2 3.91Å; V482-M491 HydrophobicContact CG1-CB 4.24Å; V482-M491 HydrophobicContact CG1-SD 4.44Å; V482-M491 PolarHBondContact O-N 3.21Å; V482-G492 PolarHBondContact N-O 3.46Å; V482-G492 PolarHBondContact O-N 2.83Å
483	I	95.7	Very high	87	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	137.3	-177.2	-51.3	167.1	0	0	0	108.3	V422 W438 I465 L466 V468 A485 E489	V422-I483 HydrophobicContact CB-CD1 4.46Å; V422-I483 HydrophobicContact CG2-CD1 4.08Å; W438-I483 HydrophobicContact CB-CD1 4.41Å; W438-I483 HydrophobicContact CB-CG2 4.38Å; W438-I483 HydrophobicContact CD2-CD1 3.43Å; W438-I483 VanDerWaalsContact CD2-CD1 3.43Å; W438-I483 HydrophobicContact CD2-CG1 3.99Å; W438-I483 HydrophobicContact CE3-CD1 3.21Å; W438-I483 HydrophobicContact CE3-CG1 4.18Å; W438-I483 HydrophobicContact CG-CD1 3.98Å; W438-I483 HydrophobicContact CG-CG1 4.42Å; W438-I483 HydrophobicContact CG-CG2 4.22Å; W438-I483 HydrophobicContact CH2-CD1 4.02Å; W438-I483 HydrophobicContact CH2-CG1 4.38Å; W438-I483 HydrophobicContact CZ2-CD1 4.26Å; W438-I483 HydrophobicContact CZ2-CG1 4.28Å; W438-I483 HydrophobicContact CZ3-CD1 3.52Å; W438-I483 HydrophobicContact CZ3-CG1 4.36Å; I465-I483 CarbonylContact C-O 3.55Å; I465-I483 WeakPolarHBondContact CA-O 3.27Å; I465-I483 WeakPolarHBondContact CB-O 3.26Å; L466-I483 HydrophobicContact CB-CB 4.25Å; L466-I483 PolarHBondContact N-O 2.93Å; L466-I483 PolarHBondContact O-N 3.46Å; V468-I483 HydrophobicContact CG2-CD1 3.47Å; V468-I483 VanDerWaalsContact CG2-CD1 3.47Å; V468-I483 HydrophobicContact CG2-CG1 4.24Å; I483-A485 PolarHBondContact O-N 2.81Å; I483-E489 CarbonylContact C-O 3.47Å; I483-E489 WeakPolarHBondContact CA-O 3.42Å; I483-E489 WeakPolarHBondContact CG2-O 3.23Å
484	D	96.8	Very high	88.3	Confident	30 Å²	30	37.3 Å²	37.3	16%	0.16	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	119.2	169.4	-175.2	-62.1	0	0	0	109.2	R486 T487 M488 E489 M491	D484-R486 PolarHBondContact O-N 2.88Å; D484-R486 VanDerWaalsContact OD1-CA 3.31Å; D484-R486 WeakPolarHBondContact OD1-CA 3.44Å; D484-R486 VanDerWaalsContact OD1-CB 3.24Å; D484-R486 WeakPolarHBondContact OD1-CB 3.43Å; D484-R486 PolarHBondContact OD1-N 3.43Å; D484-T487 WeakPolarHBondContact CB-OG1 3.29Å; D484-T487 PolarHBondContact OD1-N 3.27Å; D484-M488 VanDerWaalsContact O-CA 3.29Å; D484-M488 WeakPolarHBondContact O-CA 3.44Å; D484-M488 PolarHBondContact O-N 2.91Å; D484-E489 PolarHBondContact N-O 2.81Å; D484-M491 HydrophobicContact CB-CG 3.84Å; D484-M491 HydrophobicContact CB-SD 3.76Å
485	A	96.3	Very high	89.3	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-19.8	-174.4	0	0	0	0	0	112.8	Y410 K424 F452 G464 L466 I483	Y410-A485 HydrophobicContact CE1-CB 4.03Å; Y410-A485 WeakPolarHBondContact CE1-O 3.36Å; Y410-A485 PolarHBondContact OH-O 3.17Å; K424-A485 WeakPolarHBondContact CD-O 3.28Å; K424-A485 WeakPolarHBondContact CE-O 3.48Å; K424-A485 PolarHBondContact NZ-O 2.75Å; F452-A485 HydrophobicContact CD2-CB 4.08Å; F452-A485 HydrophobicContact CE2-CB 3.52Å; F452-A485 HydrophobicContact CZ-CB 4.41Å; G464-A485 WeakPolarHBondContact O-CB 3.33Å; G464-A485 PolarHBondContact O-N 2.79Å; L466-A485 HydrophobicContact CD2-CB 4.3Å; L466-A485 HydrophobicContact CG-CB 4.06Å; I483-A485 PolarHBondContact O-N 2.81Å
486	R	95.4	Very high	89.9	Confident	99 Å²	99	29.4 Å²	29.4	37%	0.374	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-57.8	175.5	175.2	174	-72.1	165.7	-9	110.9	K424 A460 D462 E463 D484	K424-R486 VanDerWaalsContact NZ-CA 3.32Å; K424-R486 PolarHBondContact NZ-O 2.84Å; A460-R486 VanDerWaalsContact CB-NH2 3.32Å; D462-R486 HydrophobicContact CB-CB 4.45Å; D462-R486 PolarHBondContact O-N 2.94Å; D462-R486 IonicContact OD1-CZ 2.71Å; D462-R486 IonicContact OD1-NE 3.85Å; D462-R486 PolarHBondContact OD1-NE 2.87Å; D462-R486 VanDerWaalsContact OD1-NE 3.11Å; D462-R486 IonicContact OD1-NH2 3.85Å; D462-R486 PolarHBondContact OD1-NH2 3.15Å; D462-R486 VanDerWaalsContact OD1-NH2 3.1Å; D462-R486 IonicContact OD2-NE 3.7Å; E463-R486 VanDerWaalsContact CD-NH2 3.31Å; E463-R486 VanDerWaalsContact CG-CZ 3.43Å; E463-R486 IonicContact OE1-CZ 2.73Å; E463-R486 VanDerWaalsContact OE1-CZ 3.26Å; E463-R486 IonicContact OE1-NH1 3.26Å; E463-R486 PolarHBondContact OE1-NH1 3.02Å; E463-R486 IonicContact OE1-NH2 3.42Å; E463-R486 PolarHBondContact OE1-NH2 2.58Å; D484-R486 PolarHBondContact O-N 2.88Å; D484-R486 VanDerWaalsContact OD1-CA 3.31Å; D484-R486 WeakPolarHBondContact OD1-CA 3.44Å; D484-R486 VanDerWaalsContact OD1-CB 3.24Å; D484-R486 WeakPolarHBondContact OD1-CB 3.43Å; D484-R486 PolarHBondContact OD1-N 3.43Å
487	T	95.5	Very high	90.2	Very high	64 Å²	64	29.8 Å²	29.8	39%	0.393	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-20	-171.1	65.9	0	0	0	0	113	D484 E489	D484-T487 WeakPolarHBondContact CB-OG1 3.29Å; D484-T487 PolarHBondContact OD1-N 3.27Å; T487-E489 VanDerWaalsContact C-N 3.25Å; T487-E489 WeakPolarHBondContact OG1-CB 3.29Å; T487-E489 PolarHBondContact OG1-N 2.72Å
488	M	95.5	Very high	89.3	Confident	11 Å²	11	31 Å²	31	5%	0.054	17%	0.173	C	C	.	.			trans	61	33.6	-170.5	-61.8	-63.6	-69.4	0	0	112.8	Y410 V422 K424 N436 W438 L466 D484	Y410-M488 HydrophobicContact CD1-SD 4.32Å; Y410-M488 HydrophobicContact CE1-SD 4.24Å; V422-M488 HydrophobicContact CB-CE 4.15Å; V422-M488 HydrophobicContact CG1-CE 3.94Å; V422-M488 WeakPolarHBondContact O-CE 3.31Å; K424-M488 HydrophobicContact CB-CE 4.13Å; K424-M488 HydrophobicContact CB-CG 3.93Å; K424-M488 HydrophobicContact CB-SD 3.7Å; K424-M488 HydrophobicContact CD-CG 4.07Å; K424-M488 HydrophobicContact CD-SD 4.28Å; N436-M488 HydrophobicContact CB-CB 4.21Å; N436-M488 HydrophobicContact CB-CG 3.76Å; W438-M488 HydrophobicContact CB-CB 4.39Å; W438-M488 HydrophobicContact CB-CE 3.9Å; L466-M488 HydrophobicContact CD1-CE 4.43Å; L466-M488 HydrophobicContact CD1-SD 4.15Å; D484-M488 VanDerWaalsContact O-CA 3.29Å; D484-M488 WeakPolarHBondContact O-CA 3.44Å; D484-M488 PolarHBondContact O-N 2.91Å
489	E	94.9	Very high	87.5	Confident	129 Å²	129	31 Å²	31	60%	0.603	17%	0.171	S	C	*	.			trans	-104.8	144.7	174.9	-64.8	179.4	161.2	0	0	111	I483 D484 T487 M491	I483-E489 CarbonylContact C-O 3.47Å; I483-E489 WeakPolarHBondContact CA-O 3.42Å; I483-E489 WeakPolarHBondContact CG2-O 3.23Å; D484-E489 PolarHBondContact N-O 2.81Å; T487-E489 VanDerWaalsContact C-N 3.25Å; T487-E489 WeakPolarHBondContact OG1-CB 3.29Å; T487-E489 PolarHBondContact OG1-N 2.72Å; E489-M491 PolarHBondContact O-N 3.1Å
490	E	94.9	Very high	85.2	Confident	75 Å²	75	32.8 Å²	32.8	35%	0.35	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	124	173.6	-174	-179.6	149.8	0	0	110.1	W438 Y481 N493	W438-E490 HydrophobicContact CZ2-CB 4.36Å; W438-E490 HydrophobicContact CZ2-CG 4.47Å; Y481-E490 HydrophobicContact CD1-CG 4.43Å; E490-N493 PolarHBondContact OE1-ND2 2.96Å
491	M	94.4	Very high	82.8	Confident	68 Å²	68	33.4 Å²	33.4	34%	0.335	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-30.9	174.8	-61.9	-179.2	72.2	0	0	112.4	F15 P17 I465 V482 D484 E489	F15-M491 VanDerWaalsContact CB-O 3.26Å; F15-M491 WeakPolarHBondContact CB-O 3.43Å; P17-M491 HydrophobicContact CG-CE 4.39Å; I465-M491 HydrophobicContact CG2-CE 4.47Å; I465-M491 HydrophobicContact CG2-SD 3.48Å; I465-M491 WeakPolarHBondContact CG2-SD 3.15Å; V482-M491 HydrophobicContact CG1-CB 4.24Å; V482-M491 HydrophobicContact CG1-SD 4.44Å; V482-M491 PolarHBondContact O-N 3.21Å; D484-M491 HydrophobicContact CB-CG 3.84Å; D484-M491 HydrophobicContact CB-SD 3.76Å; E489-M491 PolarHBondContact O-N 3.1Å
492	G	94.2	Very high	79.7	Confident	2 Å²	2	38.1 Å²	38.1	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.5	173.8	-177.2	0	0	0	0	0	112.3	K14 V482	K14-G492 CarbonylContact O-C 3.59Å; K14-G492 WeakPolarHBondContact O-CA 3.39Å; V482-G492 PolarHBondContact N-O 3.46Å; V482-G492 PolarHBondContact O-N 2.83Å
493	N	93	Very high	76.5	Confident	25 Å²	25	38.9 Å²	38.9	13%	0.134	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	162.8	178.7	62.1	70.2	0	0	0	111.6	K14 L480 Y481 E490	K14-N493 PolarHBondContact N-O 2.87Å; K14-N493 PolarHBondContact O-N 3.33Å; K14-N493 VanDerWaalsContact O-O 3.13Å; L480-N493 CarbonylContact O-C 3.56Å; L480-N493 WeakPolarHBondContact O-CA 3.34Å; Y481-N493 HydrophobicContact CD1-CB 3.86Å; Y481-N493 HydrophobicContact CE1-CB 4.19Å; E490-N493 PolarHBondContact OE1-ND2 2.96Å
494	A	91.5	Very high	73.1	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.008	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	123.2	169.4	0	0	0	0	0	109.4	C11 Q12 I16 V62 F479 L480	C11-A494 HydrophobicContact CB-CB 3.97Å; Q12-A494 WeakPolarHBondContact O-CA 3.23Å; I16-A494 HydrophobicContact CD1-CB 4.25Å; I16-A494 HydrophobicContact CG1-CB 4.45Å; V62-A494 HydrophobicContact CB-CB 3.89Å; V62-A494 HydrophobicContact CG1-CB 4.24Å; V62-A494 HydrophobicContact CG2-CB 3.79Å; F479-A494 WeakPolarHBondContact CA-O 3.47Å; L480-A494 HydrophobicContact CB-CB 4.43Å; L480-A494 PolarHBondContact N-O 3.28Å; L480-A494 PolarHBondContact O-N 3.5Å
495	S	88.9	Confident	69.5	Low	7 Å²	7	43.1 Å²	43.1	5%	0.049	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	134.4	174.1	77.9	0	0	0	0	109.6	C11 Q12 Q477 F479 P497	C11-S495 CarbonylContact C-O 3.52Å; C11-S495 VanDerWaalsContact CA-O 3.25Å; C11-S495 WeakPolarHBondContact CA-O 3.39Å; C11-S495 VanDerWaalsContact CB-O 3.22Å; C11-S495 WeakPolarHBondContact CB-O 3.34Å; Q12-S495 WeakPolarHBondContact CB-OG 3.3Å; Q12-S495 PolarHBondContact N-O 3.17Å; Q12-S495 PolarHBondContact O-N 3.02Å; Q12-S495 VanDerWaalsContact O-N 3.07Å; Q12-S495 PolarHBondContact OE1-OG 2.85Å; Q477-S495 PolarHBondContact NE2-OG 3.46Å; F479-S495 VanDerWaalsContact CZ-CB 3.48Å; S495-P497 VanDerWaalsContact O-CD 3.23Å; S495-P497 WeakPolarHBondContact O-CD 3.17Å
496	I	84.2	Confident	65.9	Low	3 Å²	3	48.4 Å²	48.4	2%	0.015	28%	0.282	C	S	.	.			trans	-86.8	110.3	179.8	-53.3	171.8	0	0	0	107.2	V9 Y55 F64 Q477 G478 A499	V9-I496 HydrophobicContact CG2-CG2 3.85Å; Y55-I496 HydrophobicContact CE1-CD1 3.72Å; Y55-I496 HydrophobicContact CE1-CG1 4.3Å; F64-I496 HydrophobicContact CB-CD1 4.24Å; F64-I496 HydrophobicContact CB-CG1 4.21Å; F64-I496 HydrophobicContact CB-CG2 3.96Å; F64-I496 HydrophobicContact CD1-CD1 4Å; F64-I496 HydrophobicContact CD1-CG2 3.62Å; F64-I496 HydrophobicContact CD2-CD1 3.75Å; F64-I496 HydrophobicContact CE1-CD1 4.27Å; F64-I496 HydrophobicContact CE1-CG2 4.39Å; F64-I496 HydrophobicContact CE2-CD1 4.04Å; F64-I496 HydrophobicContact CG-CD1 3.72Å; F64-I496 HydrophobicContact CG-CG1 4.22Å; F64-I496 HydrophobicContact CG-CG2 3.96Å; F64-I496 HydrophobicContact CZ-CD1 4.28Å; Q477-I496 WeakPolarHBondContact CG-O 3.43Å; Q477-I496 PolarHBondContact NE2-O 2.93Å; G478-I496 WeakPolarHBondContact O-CG1 3.42Å; G478-I496 PolarHBondContact O-N 3.36Å; I496-A499 HydrophobicContact CB-CB 4.04Å; I496-A499 HydrophobicContact CG2-CB 3.53Å
497	P	71.9	Confident	62.3	Low	39 Å²	39	47.1 Å²	47.1	25%	0.253	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	144.6	179.9	27.8	-32.6	0	0	0	110.6	T10 S495 A499	T10-P497 WeakPolarHBondContact O-CD 3.24Å; T10-P497 WeakPolarHBondContact O-CG 3.46Å; S495-P497 VanDerWaalsContact O-CD 3.23Å; S495-P497 WeakPolarHBondContact O-CD 3.17Å; P497-A499 PolarHBondContact O-N 3.15Å
498	G	55.2	Low	58.8	Low	66 Å²	66	46.6 Å²	46.6	68%	0.68	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	10.9	174.9	0	0	0	0	0	114.2	T500	G498-T500 PolarHBondContact O-N 2.85Å
499	A	42.1	Very low	55.2	Low	10 Å²	10	55.3 Å²	55.3	8%	0.083	35%	0.347	C	S	.	.			trans	-87.1	58.2	164	0	0	0	0	0	109.6	N476 I496 P497 I501	N476-A499 CarbonylContact O-C 3.58Å; I496-A499 HydrophobicContact CB-CB 4.04Å; I496-A499 HydrophobicContact CG2-CB 3.53Å; P497-A499 PolarHBondContact O-N 3.15Å; A499-I501 PolarHBondContact O-N 3.07Å
500	T	35.1	Very low	51.6	Low	49 Å²	49	53.9 Å²	53.9	30%	0.301	35%	0.351	S	S	.	.			trans	-46.8	129	133.3	-0.2	0	0	0	0	103.7	N476 G498 E502	N476-T500 WeakPolarHBondContact ND2-CG2 3.33Å; G498-T500 PolarHBondContact O-N 2.85Å; T500-E502 HydrophobicContact CG2-CG 4.26Å; T500-E502 PolarHBondContact O-N 3.33Å; T500-E502 WeakPolarHBondContact OG1-CG 3.38Å; T500-E502 PolarHBondContact OG1-OE1 2.76Å
501	I	37.7	Very low	48	Very low	13 Å²	13	59.7 Å²	59.7	7%	0.067	38%	0.376	C	S	.	.			trans	-61.4	81.6	155	-73.9	171	0	0	0	104.4	I471 A499 A503 I504 A547 R550	I471-I501 HydrophobicContact CD1-CD1 3.86Å; A499-I501 PolarHBondContact O-N 3.07Å; I501-A503 CarbonylContact O-C 3.59Å; I501-A503 VanDerWaalsContact O-C 3.29Å; I501-A503 PolarHBondContact O-N 2.74Å; I501-I504 PolarHBondContact O-N 2.99Å; I501-A547 HydrophobicContact CB-CB 4.13Å; I501-A547 HydrophobicContact CD1-CB 4.01Å; I501-A547 VanDerWaalsContact CD1-O 3.27Å; I501-A547 WeakPolarHBondContact CD1-O 3.34Å; I501-A547 HydrophobicContact CG2-CB 4.04Å; I501-R550 VanDerWaalsContact CA-CZ 3.45Å; I501-R550 VanDerWaalsContact CB-CZ 3.48Å; I501-R550 HydrophobicContact CD1-CB 3.44Å; I501-R550 VanDerWaalsContact CD1-CB 3.44Å; I501-R550 HydrophobicContact CD1-CG 3.57Å; I501-R550 HydrophobicContact CG1-CB 4.26Å; I501-R550 HydrophobicContact CG1-CG 4.02Å; I501-R550 HydrophobicContact CG2-CG 3.93Å
502	E	27	Very low	44.3	Very low	110 Å²	110	62 Å²	62	51%	0.514	40%	0.397	S	S	.	.			trans	-76.7	64.8	-176.5	-73	-165.3	155.4	0	0	108.2	T500	T500-E502 HydrophobicContact CG2-CG 4.26Å; T500-E502 PolarHBondContact O-N 3.33Å; T500-E502 WeakPolarHBondContact OG1-CG 3.38Å; T500-E502 PolarHBondContact OG1-OE1 2.76Å
503	A	26.4	Very low	40.7	Very low	15 Å²	15	71.7 Å²	71.7	12%	0.124	44%	0.439	C	S	.	.	S	Bend	trans	-148.3	75.8	142.1	0	0	0	0	0	98.4	D2 I501	D2-A503 HydrophobicContact CB-CB 3.93Å; I501-A503 CarbonylContact O-C 3.59Å; I501-A503 VanDerWaalsContact O-C 3.29Å; I501-A503 PolarHBondContact O-N 2.74Å
504	I	24.6	Very low	37.2	Very low	27 Å²	27	78 Å²	78	14%	0.138	47%	0.473	C	S	.	.				-156.4	145.4	61.3	-45.6	97.3	0	0	0	110.4	I501 E543 L546	I501-I504 PolarHBondContact O-N 2.99Å; I504-E543 HydrophobicContact CB-CB 4.49Å; I504-E543 HydrophobicContact CB-CG 4.08Å; I504-E543 WeakPolarHBondContact CB-OE1 3.32Å; I504-E543 WeakPolarHBondContact CB-OE2 3.38Å; I504-E543 HydrophobicContact CD1-CB 3.67Å; I504-E543 HydrophobicContact CD1-CG 3.7Å; I504-E543 HydrophobicContact CG1-CG 4.26Å; I504-E543 VanDerWaalsContact CG2-CD 3.47Å; I504-E543 WeakPolarHBondContact CG2-OE1 3.48Å; I504-L546 HydrophobicContact CD1-CB 4.17Å; I504-L546 HydrophobicContact CD1-CD1 3.82Å
505	S	21.3	Very low	33.9	Very low	92 Å²	92	86.5 Å²	86.5	64%	0.643	51%	0.513	S	S	*	.			trans	-160.8	103.9	167.1	157.7	0	0	0	0	105.5
506	S	20.4	Very low	30.7	Very low	111 Å²	111	90.3 Å²	90.3	78%	0.776	54%	0.544	S	S	*	.			trans	-131.1	101.4	154.5	58.3	0	0	0	0	107.5
507	G	20.8	Very low	28	Very low	73 Å²	73	99.7 Å²	99.7	75%	0.753	59%	0.59	S	S	*	*	S	Bend	trans	106.1	114.1	159	0	0	0	0	0	116.9
508	G	20.4	Very low	25.7	Very low	53 Å²	53	101.4 Å²	101.4	55%	0.546	62%	0.615	S	S	.	*				80.3	104	128.8	0	0	0	0	0	120.6
509	H	20.1	Very low	24.4	Very low	194 Å²	194	105.8 Å²	105.8	90%	0.898	62%	0.623	S	S	*	*			trans	83.3	152	135.8	-59.2	-69.6	0	0	0	122.3
510	S	18.9	Very low	23.8	Very low	99 Å²	99	112.5 Å²	112.5	69%	0.692	66%	0.657	S	S	*	*			trans	-110	158.2	-161.4	-51.2	0	0	0	0	113
511	F	19.9	Very low	23.7	Very low	197 Å²	197	116.9 Å²	116.9	86%	0.864	68%	0.684	S	S	*	*			trans	110	151.7	145.6	-75.7	-74.2	0	0	0	122.9
512	C	17.3	Very low	23.5	Very low	115 Å²	115	120.5 Å²	120.5	78%	0.777	71%	0.709	S	S	*	*			trans	-47.6	153.4	-171.1	-64	0	0	0	0	119.2
513	F	18.9	Very low	23.8	Very low	206 Å²	206	123.3 Å²	123.3	90%	0.904	72%	0.721	S	S	*	*			trans	-94	136.5	166.7	-103.3	-88.7	0	0	0	112.7
514	N	19.1	Very low	24.3	Very low	157 Å²	157	132.5 Å²	132.5	84%	0.84	76%	0.759	S	S	*	*			trans	-138.8	121	150.4	-114.6	-9.8	0	0	0	110.2
515	Q	22.8	Very low	24.8	Very low	181 Å²	181	134.7 Å²	134.7	85%	0.846	78%	0.781	S	S	*	*			trans	24.2	131	156.5	-87.7	-180	-11.3	0	0	125.1
516	A	21.9	Very low	25.5	Very low	86 Å²	86	133.9 Å²	133.9	71%	0.711	77%	0.769	S	S	*	*				97.1	112.1	121.6	0	0	0	0	0	122.2
517	M	25.9	Very low	26.1	Very low	201 Å²	201	130.8 Å²	130.8	99%	0.99	75%	0.75	S	S	*	*			trans	54.4	132	137.6	-63.5	-120.4	-121.9	0	0	122.1
518	G	23.9	Very low	26.9	Very low	74 Å²	74	132.9 Å²	132.9	76%	0.763	74%	0.744	S	S	*	*			trans	169.7	114	152.8	0	0	0	0	0	113.7
519	D	27.8	Very low	27.9	Very low	159 Å²	159	134.6 Å²	134.6	85%	0.85	74%	0.74	S	S	*	*			trans	-48.1	130.1	171.3	-80.6	-45	0	0	0	112.8
520	N	28.9	Very low	28.7	Very low	151 Å²	151	130.7 Å²	130.7	81%	0.807	72%	0.721	S	S	*	*			trans	-167.5	135.2	137.3	-93.2	-32.9	0	0	0	111.2
521	T	33.7	Very low	29.6	Very low	140 Å²	140	133.3 Å²	133.3	86%	0.859	72%	0.717	S	S	*	*			trans	-63.9	129.1	176.2	12	0	0	0	0	110.1
522	P	33.2	Very low	30.6	Very low	90 Å²	90	129.5 Å²	129.5	58%	0.584	70%	0.702	S	S	*	*			trans	-110.1	144.2	-173.8	42	-34.6	0	0	0	113.7	D526	P522-D526 HydrophobicContact CB-CB 3.45Å; P522-D526 VanDerWaalsContact CB-CB 3.45Å; P522-D526 WeakPolarHBondContact CB-OD2 3.33Å; P522-D526 HydrophobicContact CG-CB 3.94Å
523	Q	34.4	Very low	31.6	Very low	168 Å²	168	130.5 Å²	130.5	79%	0.785	70%	0.695	S	S	*	*			trans	-67.7	159.8	-178.6	-71.1	173.1	-9.8	0	0	110.5	A525 D526	Q523-A525 PolarHBondContact O-N 3.19Å; Q523-D526 PolarHBondContact O-N 3.36Å
524	K	35.4	Very low	32.4	Very low	209 Å²	209	125 Å²	125	91%	0.909	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-45.1	-17.4	-173.7	-95.6	177.9	173	177.7	0	117.9
525	A	35.6	Very low	33.3	Very low	73 Å²	73	124.5 Å²	124.5	60%	0.603	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-29.7	175.2	0	0	0	0	0	113.3	Q523 L528	Q523-A525 PolarHBondContact O-N 3.19Å; A525-L528 PolarHBondContact O-N 3.44Å
526	D	36.9	Very low	33.9	Very low	74 Å²	74	121.7 Å²	121.7	40%	0.396	65%	0.65	S	S	.	*	H	α-helix	trans	-79.8	-21.7	-178.8	-69.2	-44.2	0	0	0	113	P522 Q523 L528 F530	P522-D526 HydrophobicContact CB-CB 3.45Å; P522-D526 VanDerWaalsContact CB-CB 3.45Å; P522-D526 WeakPolarHBondContact CB-OD2 3.33Å; P522-D526 HydrophobicContact CG-CB 3.94Å; Q523-D526 PolarHBondContact O-N 3.36Å; D526-L528 VanDerWaalsContact C-N 3.3Å; D526-L528 PolarHBondContact O-N 2.94Å; D526-F530 WeakPolarHBondContact O-CB 3.32Å; D526-F530 PolarHBondContact O-N 3.15Å
527	A	33.3	Very low	34.6	Very low	46 Å²	46	122.7 Å²	122.7	38%	0.38	64%	0.639	S	S	.	*	H	α-helix	trans	-64.9	-36.7	172.4	0	0	0	0	0	111.4	F530 Y531	A527-F530 PolarHBondContact O-N 3.23Å; A527-Y531 WeakPolarHBondContact O-CB 3.39Å; A527-Y531 WeakPolarHBondContact O-CD2 3.36Å; A527-Y531 PolarHBondContact O-N 3.06Å
528	L	37.3	Very low	34.9	Very low	117 Å²	117	118.4 Å²	118.4	61%	0.613	62%	0.618	S	S	*	*	H	α-helix	trans	-69.9	-43.9	178.5	-152.3	84.4	0	0	0	111	A525 D526 F530 Y531 E532	A525-L528 PolarHBondContact O-N 3.44Å; D526-L528 VanDerWaalsContact C-N 3.3Å; D526-L528 PolarHBondContact O-N 2.94Å; L528-F530 VanDerWaalsContact C-N 3.33Å; L528-F530 PolarHBondContact O-N 3.47Å; L528-Y531 PolarHBondContact O-N 3.39Å; L528-E532 WeakPolarHBondContact O-CB 3.43Å; L528-E532 PolarHBondContact O-N 3.01Å
529	N	39.7	Very low	35.4	Very low	89 Å²	89	117.6 Å²	117.6	48%	0.476	60%	0.601	S	S	.	*	H	α-helix	trans	-62.9	-39.2	173.4	-72.1	-14.7	0	0	0	111.8	E532 E533	N529-E532 PolarHBondContact O-N 3.41Å; N529-E533 WeakPolarHBondContact O-CB 3.37Å; N529-E533 PolarHBondContact O-N 3.38Å
530	F	38.9	Very low	35.7	Very low	113 Å²	113	115.2 Å²	115.2	50%	0.496	58%	0.583	S	S	.	*	H	α-helix	trans	-63.9	-42	173.9	179.3	-96.9	0	0	0	111.8	D526 A527 L528 Q534	D526-F530 WeakPolarHBondContact O-CB 3.32Å; D526-F530 PolarHBondContact O-N 3.15Å; A527-F530 PolarHBondContact O-N 3.23Å; L528-F530 VanDerWaalsContact C-N 3.33Å; L528-F530 PolarHBondContact O-N 3.47Å; F530-Q534 HydrophobicContact CD1-CG 4.24Å; F530-Q534 HydrophobicContact CE1-CG 3.93Å; F530-Q534 HydrophobicContact CE2-CG 4.4Å; F530-Q534 HydrophobicContact CZ-CG 4.02Å; F530-Q534 WeakPolarHBondContact O-CB 3.39Å; F530-Q534 WeakPolarHBondContact O-CG 3.33Å; F530-Q534 PolarHBondContact O-N 3.28Å
531	Y	37.2	Very low	35.9	Very low	153 Å²	153	111.9 Å²	111.9	60%	0.6	56%	0.563	S	S	*	*	H	α-helix	trans	-70	-35.4	175.3	-79.1	-63.5	0	0	0	112.6	A527 L528 Q534 F535	A527-Y531 WeakPolarHBondContact O-CB 3.39Å; A527-Y531 WeakPolarHBondContact O-CD2 3.36Å; A527-Y531 PolarHBondContact O-N 3.06Å; L528-Y531 PolarHBondContact O-N 3.39Å; Y531-Q534 PolarHBondContact O-N 3.27Å; Y531-F535 VanDerWaalsContact O-CB 3.31Å; Y531-F535 WeakPolarHBondContact O-CB 3.41Å; Y531-F535 PolarHBondContact O-N 2.95Å
532	E	40.2	Very low	36	Very low	118 Å²	118	107.6 Å²	107.6	55%	0.551	54%	0.536	S	S	*	.	H	α-helix	trans	-66.8	-43.1	172.8	-80.9	-176.8	160.4	0	0	111.7	L528 N529 F535 E536	L528-E532 WeakPolarHBondContact O-CB 3.43Å; L528-E532 PolarHBondContact O-N 3.01Å; N529-E532 PolarHBondContact O-N 3.41Å; E532-F535 PolarHBondContact O-N 2.89Å; E532-E536 WeakPolarHBondContact O-CB 3.46Å; E532-E536 PolarHBondContact O-N 3.42Å
533	E	38.6	Very low	36.2	Very low	135 Å²	135	105.5 Å²	105.5	63%	0.631	52%	0.519	S	S	*	.	H	α-helix	trans	-62.4	-42.6	172.8	-84.4	-172.9	153	0	0	111.8	N529 E536 H537	N529-E533 WeakPolarHBondContact O-CB 3.37Å; N529-E533 PolarHBondContact O-N 3.38Å; E533-E536 PolarHBondContact O-N 3.47Å; E533-H537 VanDerWaalsContact O-CB 3.23Å; E533-H537 WeakPolarHBondContact O-CB 3.27Å; E533-H537 PolarHBondContact O-N 2.93Å
534	Q	36.3	Very low	36.2	Very low	92 Å²	92	101.2 Å²	101.2	43%	0.43	50%	0.5	S	S	.	.	H	α-helix	trans	-66	-37.8	175.1	-71.7	-67.3	-45.4	0	0	111.6	F530 Y531 H537 M538	F530-Q534 HydrophobicContact CD1-CG 4.24Å; F530-Q534 HydrophobicContact CE1-CG 3.93Å; F530-Q534 HydrophobicContact CE2-CG 4.4Å; F530-Q534 HydrophobicContact CZ-CG 4.02Å; F530-Q534 WeakPolarHBondContact O-CB 3.39Å; F530-Q534 WeakPolarHBondContact O-CG 3.33Å; F530-Q534 PolarHBondContact O-N 3.28Å; Y531-Q534 PolarHBondContact O-N 3.27Å; Q534-H537 PolarHBondContact O-N 2.88Å; Q534-M538 WeakPolarHBondContact O-CB 3.48Å; Q534-M538 PolarHBondContact O-N 3.35Å
535	F	36.7	Very low	36.1	Very low	145 Å²	145	92.6 Å²	92.6	64%	0.636	46%	0.464	S	S	*	.	H	α-helix	trans	-69.1	-40.8	175	-109.8	-84.1	0	0	0	112.4	Y531 E532 M538 S539	Y531-F535 VanDerWaalsContact O-CB 3.31Å; Y531-F535 WeakPolarHBondContact O-CB 3.41Å; Y531-F535 PolarHBondContact O-N 2.95Å; E532-F535 PolarHBondContact O-N 2.89Å; F535-M538 PolarHBondContact O-N 3.23Å; F535-S539 VanDerWaalsContact O-CB 3.24Å; F535-S539 WeakPolarHBondContact O-CB 3.21Å; F535-S539 PolarHBondContact O-N 3.35Å
536	E	37	Very low	36.3	Very low	123 Å²	123	90.1 Å²	90.1	58%	0.575	44%	0.441	S	S	*	.	H	α-helix	trans	-63.6	-42.3	172.9	-94.9	-156	166.2	0	0	111.1	E532 E533 S539 K540	E532-E536 WeakPolarHBondContact O-CB 3.46Å; E532-E536 PolarHBondContact O-N 3.42Å; E533-E536 PolarHBondContact O-N 3.47Å; E536-S539 PolarHBondContact O-N 3.16Å; E536-K540 WeakPolarHBondContact O-CB 3.35Å; E536-K540 WeakPolarHBondContact O-CG 3.41Å; E536-K540 PolarHBondContact O-N 2.81Å
537	H	34.8	Very low	36.3	Very low	107 Å²	107	86.8 Å²	86.8	50%	0.495	42%	0.424	S	S	.	.	H	α-helix	trans	-65.7	-41.7	177.3	-167.4	-38.9	0	0	0	111.3	E533 Q534 Q541	E533-H537 VanDerWaalsContact O-CB 3.23Å; E533-H537 WeakPolarHBondContact O-CB 3.27Å; E533-H537 PolarHBondContact O-N 2.93Å; Q534-H537 PolarHBondContact O-N 2.88Å; H537-Q541 WeakPolarHBondContact O-CB 3.36Å; H537-Q541 WeakPolarHBondContact O-CG 3.25Å; H537-Q541 PolarHBondContact O-N 2.64Å
538	M	33.2	Very low	36.5	Very low	111 Å²	111	85.5 Å²	85.5	55%	0.547	41%	0.41	S	S	.	.	H	α-helix	trans	-63.6	-44.3	172	-102.7	173.3	40.8	0	0	111.5	Q534 F535 Q541 V542	Q534-M538 WeakPolarHBondContact O-CB 3.48Å; Q534-M538 PolarHBondContact O-N 3.35Å; F535-M538 PolarHBondContact O-N 3.23Å; M538-Q541 PolarHBondContact O-N 2.8Å; M538-V542 VanDerWaalsContact O-CG2 3.31Å; M538-V542 WeakPolarHBondContact O-CG2 3.23Å; M538-V542 PolarHBondContact O-N 2.72Å
539	S	33.8	Very low	36.6	Very low	56 Å²	56	80.2 Å²	80.2	39%	0.392	38%	0.382	S	S	.	.	H	α-helix	trans	-61.2	-49.7	179.1	-171.3	0	0	0	0	110.5	F535 E536 Q541 V542 E543	F535-S539 VanDerWaalsContact O-CB 3.24Å; F535-S539 WeakPolarHBondContact O-CB 3.21Å; F535-S539 PolarHBondContact O-N 3.35Å; E536-S539 PolarHBondContact O-N 3.16Å; S539-Q541 VanDerWaalsContact C-N 3.3Å; S539-Q541 PolarHBondContact O-N 2.83Å; S539-V542 CarbonylContact O-C 3.48Å; S539-V542 WeakPolarHBondContact O-CA 3.3Å; S539-V542 WeakPolarHBondContact O-CB 3.35Å; S539-V542 PolarHBondContact O-N 3.16Å; S539-E543 WeakPolarHBondContact O-CG 3.37Å; S539-E543 PolarHBondContact O-N 3.04Å
540	K	35.5	Very low	36.8	Very low	109 Å²	109	77.2 Å²	77.2	47%	0.474	36%	0.364	S	S	.	.	H	α-helix	trans	-58.6	-39.1	175	-81.3	174	177.4	161.2	0	112.4	E536 E543 L544	E536-K540 WeakPolarHBondContact O-CB 3.35Å; E536-K540 WeakPolarHBondContact O-CG 3.41Å; E536-K540 PolarHBondContact O-N 2.81Å; K540-E543 PolarHBondContact O-N 2.96Å; K540-L544 WeakPolarHBondContact O-CB 3.46Å; K540-L544 WeakPolarHBondContact O-CG 3.34Å; K540-L544 PolarHBondContact O-N 2.89Å
541	Q	33	Very low	36.6	Very low	82 Å²	82	71.8 Å²	71.8	38%	0.383	34%	0.341	S	S	.	.	H	α-helix	trans	-66.2	-37.9	173.2	-79.8	-153.2	-18.4	0	0	112.5	H537 M538 S539 E543 L544 L545	H537-Q541 WeakPolarHBondContact O-CB 3.36Å; H537-Q541 WeakPolarHBondContact O-CG 3.25Å; H537-Q541 PolarHBondContact O-N 2.64Å; M538-Q541 PolarHBondContact O-N 2.8Å; S539-Q541 VanDerWaalsContact C-N 3.3Å; S539-Q541 PolarHBondContact O-N 2.83Å; Q541-E543 VanDerWaalsContact C-N 3.34Å; Q541-L544 PolarHBondContact O-N 2.82Å; Q541-L545 VanDerWaalsContact O-CB 3.23Å; Q541-L545 WeakPolarHBondContact O-CB 3.24Å; Q541-L545 WeakPolarHBondContact O-CD1 3.46Å; Q541-L545 PolarHBondContact O-N 2.84Å
542	V	34.1	Very low	36.5	Very low	50 Å²	50	64.6 Å²	64.6	30%	0.303	31%	0.313	S	S	.	.	H	α-helix	trans	-65.9	-35.7	173.7	170.6	0	0	0	0	111.3	M538 S539 L545 L546	M538-V542 VanDerWaalsContact O-CG2 3.31Å; M538-V542 WeakPolarHBondContact O-CG2 3.23Å; M538-V542 PolarHBondContact O-N 2.72Å; S539-V542 CarbonylContact O-C 3.48Å; S539-V542 WeakPolarHBondContact O-CA 3.3Å; S539-V542 WeakPolarHBondContact O-CB 3.35Å; S539-V542 PolarHBondContact O-N 3.16Å; V542-L545 WeakPolarHBondContact O-CB 3.26Å; V542-L545 PolarHBondContact O-N 2.78Å; V542-L546 HydrophobicContact CG1-CD1 3.78Å; V542-L546 WeakPolarHBondContact O-CB 3.1Å; V542-L546 WeakPolarHBondContact O-CD1 3.15Å; V542-L546 VanDerWaalsContact O-CG 3.25Å; V542-L546 WeakPolarHBondContact O-CG 3.43Å; V542-L546 PolarHBondContact O-N 3.22Å
543	E	37.5	Very low	36.2	Very low	46 Å²	46	59 Å²	59	22%	0.215	29%	0.287	C	S	.	.	H	α-helix	trans	-71.5	-41.8	174.9	-45.3	-153.9	153.6	0	0	112.6	I504 S539 K540 Q541 L545 L546 A547	I504-E543 HydrophobicContact CB-CB 4.49Å; I504-E543 HydrophobicContact CB-CG 4.08Å; I504-E543 WeakPolarHBondContact CB-OE1 3.32Å; I504-E543 WeakPolarHBondContact CB-OE2 3.38Å; I504-E543 HydrophobicContact CD1-CB 3.67Å; I504-E543 HydrophobicContact CD1-CG 3.7Å; I504-E543 HydrophobicContact CG1-CG 4.26Å; I504-E543 VanDerWaalsContact CG2-CD 3.47Å; I504-E543 WeakPolarHBondContact CG2-OE1 3.48Å; S539-E543 WeakPolarHBondContact O-CG 3.37Å; S539-E543 PolarHBondContact O-N 3.04Å; K540-E543 PolarHBondContact O-N 2.96Å; Q541-E543 VanDerWaalsContact C-N 3.34Å; E543-L545 VanDerWaalsContact C-N 3.31Å; E543-L546 PolarHBondContact O-N 2.62Å; E543-A547 WeakPolarHBondContact O-CB 3.31Å; E543-A547 PolarHBondContact O-N 3.49Å
544	L	34.8	Very low	35.9	Very low	77 Å²	77	52.6 Å²	52.6	40%	0.403	26%	0.257	S	S	.	.	H	α-helix	trans	-59.6	-43.2	170.8	-81.6	158.4	0	0	0	110.7	A473 K540 Q541 L546 A547 D548	A473-L544 WeakPolarHBondContact O-CD2 3.39Å; K540-L544 WeakPolarHBondContact O-CB 3.46Å; K540-L544 WeakPolarHBondContact O-CG 3.34Å; K540-L544 PolarHBondContact O-N 2.89Å; Q541-L544 PolarHBondContact O-N 2.82Å; L544-L546 PolarHBondContact O-N 2.83Å; L544-A547 CarbonylContact O-C 3.54Å; L544-A547 WeakPolarHBondContact O-CB 3.2Å; L544-A547 PolarHBondContact O-N 3.24Å; L544-D548 PolarHBondContact O-N 2.9Å
545	L	34.4	Very low	35.8	Very low	28 Å²	28	48.2 Å²	48.2	15%	0.147	24%	0.236	C	C	.	.	H	α-helix	trans	-63.6	-35.6	173.3	-106.9	55.7	0	0	0	113.8	Y355 Q541 V542 E543 D548 L549	Y355-L545 VanDerWaalsContact CA-CD2 3.45Å; Y355-L545 HydrophobicContact CD1-CB 3.78Å; Y355-L545 HydrophobicContact CD1-CD2 3.41Å; Y355-L545 VanDerWaalsContact CD1-CD2 3.41Å; Y355-L545 HydrophobicContact CD1-CG 3.47Å; Y355-L545 VanDerWaalsContact CD1-CG 3.47Å; Y355-L545 HydrophobicContact CD2-CD2 4.15Å; Y355-L545 HydrophobicContact CE1-CB 3.8Å; Y355-L545 HydrophobicContact CE1-CD2 4.19Å; Y355-L545 HydrophobicContact CE1-CG 4.03Å; Y355-L545 HydrophobicContact CG-CB 4.46Å; Y355-L545 HydrophobicContact CG-CD2 3.39Å; Y355-L545 HydrophobicContact CG-CG 4.02Å; Q541-L545 VanDerWaalsContact O-CB 3.23Å; Q541-L545 WeakPolarHBondContact O-CB 3.24Å; Q541-L545 WeakPolarHBondContact O-CD1 3.46Å; Q541-L545 PolarHBondContact O-N 2.84Å; V542-L545 WeakPolarHBondContact O-CB 3.26Å; V542-L545 PolarHBondContact O-N 2.78Å; E543-L545 VanDerWaalsContact C-N 3.31Å; L545-D548 VanDerWaalsContact O-CB 3.23Å; L545-D548 WeakPolarHBondContact O-CB 3.44Å; L545-D548 PolarHBondContact O-N 2.73Å; L545-L549 PolarHBondContact O-N 2.89Å
546	L	38.4	Very low	35.6	Very low	22 Å²	22	42.7 Å²	42.7	12%	0.115	21%	0.213	C	C	.	.	H	α-helix	trans	-77.5	-33.2	178.2	-80	160.8	0	0	0	111.2	V32 Y355 I504 V542 E543 L544 D548 L549	V32-L546 HydrophobicContact CG2-CD2 3.27Å; Y355-L546 WeakPolarHBondContact OH-CD2 3.36Å; Y355-L546 WeakPolarHBondContact OH-CG 3.35Å; I504-L546 HydrophobicContact CD1-CB 4.17Å; I504-L546 HydrophobicContact CD1-CD1 3.82Å; V542-L546 HydrophobicContact CG1-CD1 3.78Å; V542-L546 WeakPolarHBondContact O-CB 3.1Å; V542-L546 WeakPolarHBondContact O-CD1 3.15Å; V542-L546 VanDerWaalsContact O-CG 3.25Å; V542-L546 WeakPolarHBondContact O-CG 3.43Å; V542-L546 PolarHBondContact O-N 3.22Å; E543-L546 PolarHBondContact O-N 2.62Å; L544-L546 PolarHBondContact O-N 2.83Å; L546-D548 VanDerWaalsContact C-N 3.31Å; L546-L549 PolarHBondContact O-N 3.45Å
547	A	38.6	Very low	35.6	Very low	4 Å²	4	37.5 Å²	37.5	3%	0.033	19%	0.19	C	C	.	.	H	α-helix	trans	-63	-38.5	163.5	0	0	0	0	0	111.2	N476 I501 E543 L544 L549 R550	N476-A547 WeakPolarHBondContact OD1-CB 3.41Å; I501-A547 HydrophobicContact CB-CB 4.13Å; I501-A547 HydrophobicContact CD1-CB 4.01Å; I501-A547 VanDerWaalsContact CD1-O 3.27Å; I501-A547 WeakPolarHBondContact CD1-O 3.34Å; I501-A547 HydrophobicContact CG2-CB 4.04Å; E543-A547 WeakPolarHBondContact O-CB 3.31Å; E543-A547 PolarHBondContact O-N 3.49Å; L544-A547 CarbonylContact O-C 3.54Å; L544-A547 WeakPolarHBondContact O-CB 3.2Å; L544-A547 PolarHBondContact O-N 3.24Å; A547-L549 PolarHBondContact O-N 3.06Å; A547-R550 PolarHBondContact O-N 2.8Å; A547-R550 VanDerWaalsContact O-N 3.17Å
548	D	36.8	Very low	36.1	Very low	18 Å²	18	34.4 Å²	34.4	10%	0.096	18%	0.176	C	C	.	.	H	α-helix	trans	-57	-32.4	175.7	-69.2	-14.5	0	0	0	111.5	K359 L544 L545 L546	K359-D548 IonicContact NZ-OD2 3.48Å; K359-D548 PolarHBondContact NZ-OD2 2.83Å; L544-D548 PolarHBondContact O-N 2.9Å; L545-D548 VanDerWaalsContact O-CB 3.23Å; L545-D548 WeakPolarHBondContact O-CB 3.44Å; L545-D548 PolarHBondContact O-N 2.73Å; L546-D548 VanDerWaalsContact C-N 3.31Å
549	L	39.6	Very low	36.3	Very low	6 Å²	6	30.9 Å²	30.9	3%	0.031	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-9.1	-177.3	-71.4	-172.6	0	0	0	114.9	C29 V32 F45 L351 L354 Y355 L545 L546 A547 G551	C29-L549 VanDerWaalsContact CB-O 3.31Å; C29-L549 WeakPolarHBondContact CB-O 3.23Å; V32-L549 HydrophobicContact CG1-CD1 3.81Å; F45-L549 HydrophobicContact CD2-CB 4.42Å; F45-L549 HydrophobicContact CD2-CD1 4.3Å; F45-L549 HydrophobicContact CD2-CD2 3.7Å; F45-L549 HydrophobicContact CD2-CG 4.36Å; F45-L549 HydrophobicContact CE2-CB 3.94Å; F45-L549 HydrophobicContact CE2-CD2 3.81Å; F45-L549 HydrophobicContact CE2-CG 4.31Å; F45-L549 WeakPolarHBondContact CE2-O 3.34Å; L351-L549 HydrophobicContact CD1-CD1 4.44Å; L351-L549 HydrophobicContact CD2-CD1 3.54Å; L351-L549 HydrophobicContact CD2-CD2 4.32Å; L354-L549 HydrophobicContact CB-CD2 4.37Å; L354-L549 HydrophobicContact CD1-CD2 3.68Å; Y355-L549 HydrophobicContact CE1-CD1 3.52Å; Y355-L549 HydrophobicContact CE1-CD2 4.27Å; Y355-L549 HydrophobicContact CE1-CG 3.76Å; Y355-L549 WeakPolarHBondContact OH-CD1 3.31Å; L545-L549 PolarHBondContact O-N 2.89Å; L546-L549 PolarHBondContact O-N 3.45Å; A547-L549 PolarHBondContact O-N 3.06Å; L549-G551 PolarHBondContact O-N 2.87Å
550	R	42.4	Very low	37	Very low	26 Å²	26	28.3 Å²	28.3	10%	0.098	14%	0.141	C	C	.	.			trans	-74.9	28.4	174.1	-62	-152.2	-163.5	157.3	-1.8	113.4	M28 I471 I501 A547	M28-R550 HydrophobicContact CE-CB 4.19Å; M28-R550 WeakPolarHBondContact CE-O 3.24Å; I471-R550 HydrophobicContact CD1-CB 3.99Å; I501-R550 VanDerWaalsContact CA-CZ 3.45Å; I501-R550 VanDerWaalsContact CB-CZ 3.48Å; I501-R550 HydrophobicContact CD1-CB 3.44Å; I501-R550 VanDerWaalsContact CD1-CB 3.44Å; I501-R550 HydrophobicContact CD1-CG 3.57Å; I501-R550 HydrophobicContact CG1-CB 4.26Å; I501-R550 HydrophobicContact CG1-CG 4.02Å; I501-R550 HydrophobicContact CG2-CG 3.93Å; A547-R550 PolarHBondContact O-N 2.8Å; A547-R550 VanDerWaalsContact O-N 3.17Å
551	G	35	Very low	36.9	Very low	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-62.9	160.7	159.1	0	0	0	0	0	112.7	C29 N448 L549 L553	C29-G551 PolarHBondContact N-O 2.79Å; N448-G551 VanDerWaalsContact CG-CA 3.47Å; N448-G551 WeakPolarHBondContact OD1-CA 3.45Å; L549-G551 PolarHBondContact O-N 2.87Å; G551-L553 PolarHBondContact O-N 2.82Å
552	S	35	Very low	37	Very low	2 Å²	2	24.4 Å²	24.4	1%	0.014	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-69.7	128.8	171.9	169.9	0	0	0	0	109.5	R26 Q27 N448 S554	R26-S552 VanDerWaalsContact CZ-OG 3.27Å; R26-S552 PolarHBondContact NH1-OG 2.82Å; R26-S552 PolarHBondContact NH2-OG 3.41Å; R26-S552 VanDerWaalsContact NH2-OG 3.08Å; Q27-S552 WeakPolarHBondContact O-CA 3.34Å; Q27-S552 WeakPolarHBondContact O-CB 3.4Å; Q27-S552 PolarHBondContact O-OG 2.92Å; N448-S552 PolarHBondContact OD1-N 2.88Å; S552-S554 PolarHBondContact O-N 2.86Å; S552-S554 VanDerWaalsContact O-N 3.12Å
553	L	34.5	Very low	36.9	Very low	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.146	C	C	.	.			trans	-68.9	108.6	161.9	-80.5	166.1	0	0	0	106.1	Q27 C29 F45 F46 C48 N116 M117 G551 G555	Q27-L553 PolarHBondContact O-N 2.82Å; C29-L553 HydrophobicContact CB-CD1 4.06Å; C29-L553 HydrophobicContact CB-CG 4.13Å; F45-L553 HydrophobicContact CD1-CD2 3.32Å; F45-L553 HydrophobicContact CD1-CG 4.33Å; F45-L553 HydrophobicContact CE1-CD2 3.27Å; F45-L553 HydrophobicContact CE1-CG 3.82Å; F45-L553 HydrophobicContact CE2-CD2 4.45Å; F45-L553 HydrophobicContact CG-CD2 3.99Å; F45-L553 HydrophobicContact CZ-CD2 3.88Å; F45-L553 HydrophobicContact CZ-CG 4.01Å; F46-L553 HydrophobicContact CD1-CD2 3.51Å; F46-L553 HydrophobicContact CE1-CD2 4.2Å; F46-L553 HydrophobicContact CG-CD2 4.48Å; C48-L553 WeakPolarHBondContact SG-CD1 3.31Å; N116-L553 HydrophobicContact CB-CD1 3.69Å; N116-L553 WeakPolarHBondContact O-CB 3.41Å; N116-L553 WeakPolarHBondContact O-CD1 3.44Å; M117-L553 HydrophobicContact SD-CD2 4.49Å; G551-L553 PolarHBondContact O-N 2.82Å; L553-G555 PolarHBondContact O-N 2.8Å; L553-G555 VanDerWaalsContact O-N 3.16Å
554	S	31.9	Very low	36.6	Very low	0 Å²	0	29 Å²	29	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	4.8	94.4	156.3	66.6	0	0	0	0	115	M117 Y170 S552	M117-S554 CarbonylContact C-O 3.43Å; M117-S554 WeakPolarHBondContact CE-OG 3.24Å; M117-S554 CarbonylContact O-C 3.54Å; Y170-S554 VanDerWaalsContact CZ-C 3.48Å; Y170-S554 WeakPolarHBondContact OH-CA 3.18Å; Y170-S554 WeakPolarHBondContact OH-CB 3.46Å; Y170-S554 PolarHBondContact OH-O 3.36Å; S552-S554 PolarHBondContact O-N 2.86Å; S552-S554 VanDerWaalsContact O-N 3.12Å
555	G	34.2	Very low	36.3	Very low	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.172	C	C	.	.	S	Bend	trans	150.5	94.3	172.7	0	0	0	0	0	118.3	M117 A118 Y170 E449 L553	M117-G555 WeakPolarHBondContact O-CA 3.02Å; A118-G555 WeakPolarHBondContact CA-O 3.37Å; Y170-G555 VanDerWaalsContact CE1-CA 3.45Å; Y170-G555 PolarHBondContact OH-N 3.27Å; E449-G555 PolarHBondContact OE1-N 3.04Å; E449-G555 PolarHBondContact OE2-N 3.47Å; L553-G555 PolarHBondContact O-N 2.8Å; L553-G555 VanDerWaalsContact O-N 3.16Å
556	M	32.9	Very low	36.1	Very low	30 Å²	30	33.9 Å²	33.9	15%	0.148	20%	0.199	C	C	.	.			trans	57.1	88.1	164.9	-83.1	-168.5	-84.6	0	0	114.8	F119 S120 Y129 K171 E449 H558	F119-M556 WeakPolarHBondContact CE1-O 3.41Å; F119-M556 WeakPolarHBondContact CZ-O 3.25Å; F119-M556 VanDerWaalsContact O-CB 3.25Å; F119-M556 WeakPolarHBondContact O-CB 3.28Å; F119-M556 VanDerWaalsContact O-CE 3.24Å; F119-M556 WeakPolarHBondContact O-CE 3.47Å; F119-M556 VanDerWaalsContact O-SD 3.42Å; S120-M556 WeakPolarHBondContact OG-CE 3.13Å; Y129-M556 WeakPolarHBondContact OH-CE 3.2Å; K171-M556 WeakPolarHBondContact O-CE 3.39Å; E449-M556 PolarHBondContact OE1-N 3.24Å; E449-M556 PolarHBondContact OE2-N 3.03Å; M556-H558 PolarHBondContact O-N 3.19Å
557	S	37.3	Very low	35.8	Very low	13 Å²	13	38 Å²	38	9%	0.091	22%	0.217	C	C	.	.			trans	-70.9	117	149.2	-0	0	0	0	0	109.9	F24 R26 E449 I450	F24-S557 VanDerWaalsContact CE2-CB 3.41Å; R26-S557 VanDerWaalsContact NH1-CB 3.35Å; R26-S557 PolarHBondContact NH1-OG 3.47Å; E449-S557 PolarHBondContact OE2-N 3.48Å; I450-S557 PolarHBondContact O-OG 3.39Å
558	H	45.2	Very low	35.3	Very low	43 Å²	43	43.1 Å²	43.1	20%	0.199	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.7	171.5	-97.4	-74.8	0	0	0	110.5	I25 F119 M556	I25-H558 PolarHBondContact N-O 3.37Å; F119-H558 HydrophobicContact CE2-CB 3.97Å; M556-H558 PolarHBondContact O-N 3.19Å
559	L	37.3	Very low	35.1	Very low	37 Å²	37	46.7 Å²	46.7	19%	0.194	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	110.9	160.4	-175.7	77.5	0	0	0	108.1	L20 Y23 F24 V453 L467	L20-L559 HydrophobicContact CD1-CD1 4.46Å; L20-L559 HydrophobicContact CD1-CD2 3.7Å; Y23-L559 CarbonylContact O-C 3.56Å; Y23-L559 VanDerWaalsContact O-CA 3.26Å; Y23-L559 WeakPolarHBondContact O-CA 3.05Å; F24-L559 HydrophobicContact CB-CD1 4.03Å; V453-L559 HydrophobicContact CB-CD2 4.32Å; V453-L559 HydrophobicContact CG1-CD2 3.59Å; V453-L559 HydrophobicContact CG2-CB 4.17Å; V453-L559 HydrophobicContact CG2-CD2 3.72Å; V453-L559 HydrophobicContact CG2-CG 4.5Å; L467-L559 HydrophobicContact CD1-CD1 4.21Å
560	V	48.5	Very low	34.7	Very low	2 Å²	2	49.2 Å²	49.2	1%	0.012	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	103	170.5	-174.7	0	0	0	0	108.1	G22 Y23 I25 Q121 F140	G22-V560 CarbonylContact C-O 3.55Å; G22-V560 VanDerWaalsContact CA-O 3.28Å; G22-V560 WeakPolarHBondContact CA-O 3.28Å; Y23-V560 PolarHBondContact N-O 2.83Å; Y23-V560 PolarHBondContact O-N 2.93Å; I25-V560 HydrophobicContact CD1-CG2 4.27Å; Q121-V560 HydrophobicContact CG-CG2 4.4Å; F140-V560 HydrophobicContact CE1-CG2 4.47Å; F140-V560 HydrophobicContact CZ-CB 4.04Å; F140-V560 HydrophobicContact CZ-CG1 3.82Å; F140-V560 HydrophobicContact CZ-CG2 4.19Å
561	A	33.6	Very low	34.2	Very low	51 Å²	51	49.6 Å²	49.6	42%	0.421	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	137.1	-178.9	0	0	0	0	0	111.7
562	E	35.8	Very low	34.1	Very low	57 Å²	57	54.2 Å²	54.2	27%	0.266	31%	0.312	S	S	.	.	S	Bend	trans	-82	-22.1	176.8	-81.9	-167.2	156.8	0	0	113.7	K21 Y23 H56	K21-E562 HydrophobicContact CD-CB 4.38Å; K21-E562 WeakPolarHBondContact CE-OE2 3.48Å; K21-E562 HydrophobicContact CG-CB 4.34Å; K21-E562 IonicContact NZ-OE2 3.69Å; Y23-E562 HydrophobicContact CD2-CG 4.07Å; Y23-E562 HydrophobicContact CE2-CG 3.53Å; Y23-E562 WeakPolarHBondContact CE2-OE1 3.29Å; Y23-E562 VanDerWaalsContact CZ-OE1 3.27Å; Y23-E562 PolarHBondContact OH-OE1 3.48Å; H56-E562 IonicContact NE2-OE1 3.63Å; H56-E562 PolarHBondContact NE2-OE1 3.03Å; H56-E562 IonicContact NE2-OE2 3.41Å
563	N	30.6	Very low	34.1	Very low	107 Å²	107	56.8 Å²	56.8	57%	0.572	33%	0.33	S	S	*	.			trans	-115.3	98.8	-176.7	-85.9	14.2	0	0	0	111.6	K21 A565	K21-N563 PolarHBondContact NZ-OD1 3.43Å; N563-A565 PolarHBondContact O-N 3.47Å
564	I	32.3	Very low	34	Very low	87 Å²	87	58.2 Å²	58.2	45%	0.446	34%	0.342	S	S	.	.			trans	-82.4	75.4	173.8	-60.5	177.5	0	0	0	108.1	F567 E568	I564-F567 HydrophobicContact CB-CB 4.43Å; I564-F567 HydrophobicContact CG1-CB 4.48Å; I564-F567 HydrophobicContact CG2-CB 3.58Å; I564-E568 HydrophobicContact CG2-CB 4.07Å; I564-E568 HydrophobicContact CG2-CG 3.71Å
565	A	27.5	Very low	34.1	Very low	88 Å²	88	62.1 Å²	62.1	73%	0.727	37%	0.368	S	S	*	.	S	Bend	trans	-98.4	-20.3	161.2	0	0	0	0	0	111.3	N563	N563-A565 PolarHBondContact O-N 3.47Å
566	T	31.4	Very low	34.3	Very low	118 Å²	118	68.5 Å²	68.5	72%	0.724	40%	0.398	S	S	*	.	S	Bend	trans	-106.2	-14	-178.2	32.6	0	0	0	0	114
567	F	30.7	Very low	34.5	Very low	108 Å²	108	70.8 Å²	70.8	47%	0.474	42%	0.417	S	S	.	.	S	Bend	trans	-91.1	-21.3	174.3	-114.9	-89.1	0	0	0	113.1	I564 S569 V570 T571	I564-F567 HydrophobicContact CB-CB 4.43Å; I564-F567 HydrophobicContact CG1-CB 4.48Å; I564-F567 HydrophobicContact CG2-CB 3.58Å; F567-S569 VanDerWaalsContact C-N 3.3Å; F567-S569 PolarHBondContact O-N 3.38Å; F567-V570 PolarHBondContact O-N 2.63Å; F567-V570 VanDerWaalsContact O-N 3.09Å; F567-T571 HydrophobicContact CD1-CG2 4.11Å; F567-T571 PolarHBondContact O-N 2.82Å; F567-T571 PolarHBondContact O-OG1 2.99Å
568	E	28.3	Very low	34.6	Very low	113 Å²	113	72.5 Å²	72.5	53%	0.528	43%	0.432	S	S	.	.	H	α-helix	trans	-62	-33.5	-173.6	-109	170.2	-165.3	0	0	112.9	I564 V570 T571 N572	I564-E568 HydrophobicContact CG2-CB 4.07Å; I564-E568 HydrophobicContact CG2-CG 3.71Å; E568-V570 VanDerWaalsContact C-N 3.32Å; E568-V570 PolarHBondContact O-N 2.97Å; E568-T571 WeakPolarHBondContact CA-OG1 3.29Å; E568-T571 PolarHBondContact O-OG1 3.3Å; E568-N572 WeakPolarHBondContact O-CB 3.32Å; E568-N572 PolarHBondContact O-N 3.47Å; E568-N572 VanDerWaalsContact O-N 3.16Å; E568-N572 PolarHBondContact O-ND2 3.27Å
569	S	32.6	Very low	34.3	Very low	93 Å²	93	75.2 Å²	75.2	65%	0.65	44%	0.444	S	S	*	.	H	α-helix	trans	-73.3	-23.5	178.2	80.6	0	0	0	0	113.4	F567	F567-S569 VanDerWaalsContact C-N 3.3Å; F567-S569 PolarHBondContact O-N 3.38Å
570	V	31.9	Very low	34.6	Very low	59 Å²	59	76.1 Å²	76.1	36%	0.358	46%	0.457	S	S	.	.	H	α-helix	trans	-93.1	-35.4	-179.6	-179.1	0	0	0	0	110.8	F567 E568 S573 A574	F567-V570 PolarHBondContact O-N 2.63Å; F567-V570 VanDerWaalsContact O-N 3.09Å; E568-V570 VanDerWaalsContact C-N 3.32Å; E568-V570 PolarHBondContact O-N 2.97Å; V570-S573 PolarHBondContact O-OG 2.84Å; V570-A574 WeakPolarHBondContact O-CB 3.35Å; V570-A574 PolarHBondContact O-N 3.42Å
571	T	32	Very low	34.1	Very low	33 Å²	33	78.6 Å²	78.6	20%	0.202	48%	0.478	C	S	.	.	H	α-helix	trans	-71.6	-33.9	175.8	42.3	0	0	0	0	113.1	F567 E568 A574 C575	F567-T571 HydrophobicContact CD1-CG2 4.11Å; F567-T571 PolarHBondContact O-N 2.82Å; F567-T571 PolarHBondContact O-OG1 2.99Å; E568-T571 WeakPolarHBondContact CA-OG1 3.29Å; E568-T571 PolarHBondContact O-OG1 3.3Å; T571-A574 PolarHBondContact O-N 2.87Å; T571-C575 WeakPolarHBondContact O-CB 3.39Å; T571-C575 PolarHBondContact O-N 3.38Å; T571-C575 PolarHBondContact O-SG 2.75Å; T571-C575 VanDerWaalsContact O-SG 3.34Å
572	N	32.7	Very low	34.5	Very low	98 Å²	98	81.8 Å²	81.8	52%	0.524	49%	0.487	S	S	.	.	H	α-helix	trans	-68	-39.2	175.2	-74.8	-11.1	0	0	0	111.3	E568 C575 E576	E568-N572 WeakPolarHBondContact O-CB 3.32Å; E568-N572 PolarHBondContact O-N 3.47Å; E568-N572 VanDerWaalsContact O-N 3.16Å; E568-N572 PolarHBondContact O-ND2 3.27Å; N572-C575 PolarHBondContact O-N 3.5Å; N572-E576 WeakPolarHBondContact O-CB 3.36Å; N572-E576 WeakPolarHBondContact O-CG 3.44Å; N572-E576 PolarHBondContact O-N 3.39Å
573	S	35	Very low	34.9	Very low	56 Å²	56	87.2 Å²	87.2	39%	0.392	51%	0.505	S	S	.	.	H	α-helix	trans	-70.5	-32.7	175.7	79	0	0	0	0	112.7	V570 S577	V570-S573 PolarHBondContact O-OG 2.84Å; S573-S577 VanDerWaalsContact O-CB 3.28Å; S573-S577 WeakPolarHBondContact O-CB 3.46Å; S573-S577 PolarHBondContact O-N 3.46Å; S573-S577 PolarHBondContact O-OG 2.88Å
574	A	32.2	Very low	35.4	Very low	30 Å²	30	85.2 Å²	85.2	25%	0.248	50%	0.503	C	S	.	.	H	α-helix	trans	-71	-38	175.3	0	0	0	0	0	112.2	V570 T571 S577 A578	V570-A574 WeakPolarHBondContact O-CB 3.35Å; V570-A574 PolarHBondContact O-N 3.42Å; T571-A574 PolarHBondContact O-N 2.87Å; A574-S577 PolarHBondContact O-N 3.47Å; A574-A578 VanDerWaalsContact O-CB 3.32Å; A574-A578 WeakPolarHBondContact O-CB 3.37Å; A574-A578 PolarHBondContact O-N 3.27Å
575	C	33.4	Very low	35.8	Very low	82 Å²	82	84.4 Å²	84.4	55%	0.554	51%	0.506	S	S	*	.	H	α-helix	trans	-66.6	-43.8	172.4	-73.1	0	0	0	0	111.6	T571 N572 S577 A578 E579	T571-C575 WeakPolarHBondContact O-CB 3.39Å; T571-C575 PolarHBondContact O-N 3.38Å; T571-C575 PolarHBondContact O-SG 2.75Å; T571-C575 VanDerWaalsContact O-SG 3.34Å; N572-C575 PolarHBondContact O-N 3.5Å; C575-S577 VanDerWaalsContact C-N 3.29Å; C575-S577 PolarHBondContact O-N 3.09Å; C575-A578 PolarHBondContact O-N 3.28Å; C575-E579 VanDerWaalsContact O-CB 3.28Å; C575-E579 WeakPolarHBondContact O-CB 2.96Å; C575-E579 PolarHBondContact O-N 3.27Å
576	E	38.3	Very low	36.4	Very low	134 Å²	134	86.2 Å²	86.2	63%	0.626	50%	0.499	S	S	*	.	H	α-helix	trans	-62	-37.7	174.5	-75.1	177.1	177.3	0	0	111.8	N572 A580	N572-E576 WeakPolarHBondContact O-CB 3.36Å; N572-E576 WeakPolarHBondContact O-CG 3.44Å; N572-E576 PolarHBondContact O-N 3.39Å; E576-A580 WeakPolarHBondContact O-CB 3.44Å; E576-A580 PolarHBondContact O-N 2.74Å
577	S	37.7	Very low	36.9	Very low	78 Å²	78	82.8 Å²	82.8	55%	0.545	49%	0.486	S	S	.	.	H	α-helix	trans	-71.6	-39.3	176.8	-61.4	0	0	0	0	112.8	S573 A574 C575 A580 A581	S573-S577 VanDerWaalsContact O-CB 3.28Å; S573-S577 WeakPolarHBondContact O-CB 3.46Å; S573-S577 PolarHBondContact O-N 3.46Å; S573-S577 PolarHBondContact O-OG 2.88Å; A574-S577 PolarHBondContact O-N 3.47Å; C575-S577 VanDerWaalsContact C-N 3.29Å; C575-S577 PolarHBondContact O-N 3.09Å; S577-A580 PolarHBondContact O-N 3.46Å; S577-A581 WeakPolarHBondContact O-CB 3.46Å; S577-A581 PolarHBondContact O-N 2.68Å
578	A	38.7	Very low	37.3	Very low	49 Å²	49	85.7 Å²	85.7	41%	0.405	50%	0.495	S	S	.	.	H	α-helix	trans	-67.4	-41.3	174.4	0	0	0	0	0	111.2	A574 C575 A581 I582	A574-A578 VanDerWaalsContact O-CB 3.32Å; A574-A578 WeakPolarHBondContact O-CB 3.37Å; A574-A578 PolarHBondContact O-N 3.27Å; C575-A578 PolarHBondContact O-N 3.28Å; A578-A581 PolarHBondContact O-N 3.26Å; A578-I582 WeakPolarHBondContact O-CB 2.97Å; A578-I582 VanDerWaalsContact O-CG1 3.24Å; A578-I582 WeakPolarHBondContact O-CG1 3.49Å; A578-I582 PolarHBondContact O-N 3.32Å
579	E	40.4	Very low	37.9	Very low	99 Å²	99	84.8 Å²	84.8	46%	0.463	49%	0.493	S	S	.	.	H	α-helix	trans	-66	-39.5	174.8	-160.3	-178.2	166.5	0	0	111.5	C575 I582 R583	C575-E579 VanDerWaalsContact O-CB 3.28Å; C575-E579 WeakPolarHBondContact O-CB 2.96Å; C575-E579 PolarHBondContact O-N 3.27Å; E579-I582 PolarHBondContact O-N 3.31Å; E579-R583 WeakPolarHBondContact O-CB 3.49Å; E579-R583 VanDerWaalsContact O-CG 3.31Å; E579-R583 WeakPolarHBondContact O-CG 3.35Å; E579-R583 PolarHBondContact O-N 3.03Å; E579-R583 IonicContact OE1-CZ 3.62Å; E579-R583 IonicContact OE1-NE 2.77Å; E579-R583 IonicContact OE1-NH2 3.26Å; E579-R583 PolarHBondContact OE1-NH2 2.84Å
580	A	42	Very low	38.5	Very low	56 Å²	56	83.8 Å²	83.8	46%	0.463	48%	0.483	S	S	.	.	H	α-helix	trans	-64.1	-41.2	173	0	0	0	0	0	112.5	E576 S577 R583 A584	E576-A580 WeakPolarHBondContact O-CB 3.44Å; E576-A580 PolarHBondContact O-N 2.74Å; S577-A580 PolarHBondContact O-N 3.46Å; A580-R583 PolarHBondContact O-N 2.86Å; A580-A584 WeakPolarHBondContact O-CB 3.32Å; A580-A584 PolarHBondContact O-N 2.92Å
581	A	39.8	Very low	39	Very low	54 Å²	54	82.6 Å²	82.6	45%	0.446	48%	0.483	S	S	.	.	H	α-helix	trans	-68.7	-37.1	177.1	0	0	0	0	0	112.8	S577 A578 A584 S585	S577-A581 WeakPolarHBondContact O-CB 3.46Å; S577-A581 PolarHBondContact O-N 2.68Å; A578-A581 PolarHBondContact O-N 3.26Å; A581-A584 PolarHBondContact O-N 2.88Å; A581-S585 WeakPolarHBondContact O-CB 3.29Å; A581-S585 PolarHBondContact O-N 3.43Å; A581-S585 PolarHBondContact O-OG 3.34Å
582	I	42	Very low	39.4	Very low	119 Å²	119	85 Å²	85	61%	0.61	49%	0.494	S	S	*	.	H	α-helix	trans	-64.7	-46.1	172.2	-70.7	166.5	0	0	0	110.1	A578 E579 A584 S585 H586	A578-I582 WeakPolarHBondContact O-CB 2.97Å; A578-I582 VanDerWaalsContact O-CG1 3.24Å; A578-I582 WeakPolarHBondContact O-CG1 3.49Å; A578-I582 PolarHBondContact O-N 3.32Å; E579-I582 PolarHBondContact O-N 3.31Å; I582-A584 VanDerWaalsContact C-N 3.35Å; I582-A584 PolarHBondContact O-N 3.03Å; I582-S585 PolarHBondContact O-N 2.94Å; I582-H586 WeakPolarHBondContact O-CB 3.42Å; I582-H586 PolarHBondContact O-N 2.77Å
583	R	43.5	Very low	39.9	Very low	170 Å²	170	86 Å²	86	64%	0.642	50%	0.496	S	S	*	.	H	α-helix	trans	-61.7	-40.8	175.6	-73.5	179.1	-167.8	-176.1	6	112.1	E579 A580 H586 G587	E579-R583 WeakPolarHBondContact O-CB 3.49Å; E579-R583 VanDerWaalsContact O-CG 3.31Å; E579-R583 WeakPolarHBondContact O-CG 3.35Å; E579-R583 PolarHBondContact O-N 3.03Å; E579-R583 IonicContact OE1-CZ 3.62Å; E579-R583 IonicContact OE1-NE 2.77Å; E579-R583 IonicContact OE1-NH2 3.26Å; E579-R583 PolarHBondContact OE1-NH2 2.84Å; A580-R583 PolarHBondContact O-N 2.86Å; R583-H586 PolarHBondContact O-N 2.89Å; R583-G587 PolarHBondContact O-N 2.91Å
584	A	40.7	Very low	40.6	Very low	66 Å²	66	86 Å²	86	55%	0.545	50%	0.499	S	S	.	.	H	α-helix	trans	-65.5	-41.8	176.7	0	0	0	0	0	112.2	A580 A581 I582 G587 Y588	A580-A584 WeakPolarHBondContact O-CB 3.32Å; A580-A584 PolarHBondContact O-N 2.92Å; A581-A584 PolarHBondContact O-N 2.88Å; I582-A584 VanDerWaalsContact C-N 3.35Å; I582-A584 PolarHBondContact O-N 3.03Å; A584-G587 PolarHBondContact O-N 2.77Å; A584-Y588 PolarHBondContact O-N 2.91Å
585	S	40.1	Very low	41.4	Very low	70 Å²	70	90.4 Å²	90.4	49%	0.49	52%	0.515	S	S	.	.	H	α-helix	trans	-67.2	-40.4	177.3	-57.9	0	0	0	0	111.8	A581 I582 G587 Y588 I589	A581-S585 WeakPolarHBondContact O-CB 3.29Å; A581-S585 PolarHBondContact O-N 3.43Å; A581-S585 PolarHBondContact O-OG 3.34Å; I582-S585 PolarHBondContact O-N 2.94Å; S585-G587 VanDerWaalsContact C-N 3.34Å; S585-Y588 PolarHBondContact O-N 3.07Å; S585-I589 WeakPolarHBondContact O-CG1 3.47Å; S585-I589 PolarHBondContact O-N 3.02Å
586	H	41.1	Very low	41.8	Very low	126 Å²	126	91.2 Å²	91.2	58%	0.583	51%	0.513	S	S	*	.	H	α-helix	trans	-63.7	-40.1	173	-163.9	-78.7	0	0	0	111.3	I582 R583 Y588 I589 V590	I582-H586 WeakPolarHBondContact O-CB 3.42Å; I582-H586 PolarHBondContact O-N 2.77Å; R583-H586 PolarHBondContact O-N 2.89Å; H586-Y588 VanDerWaalsContact C-N 3.35Å; H586-Y588 PolarHBondContact O-N 2.74Å; H586-I589 PolarHBondContact O-N 2.8Å; H586-V590 WeakPolarHBondContact O-CG2 3.38Å; H586-V590 PolarHBondContact O-N 2.67Å
587	G	41.1	Very low	42.4	Very low	45 Å²	45	92.3 Å²	92.3	46%	0.464	52%	0.516	S	S	.	.	H	α-helix	trans	-61.1	-39.8	172.4	0	0	0	0	0	113.2	R583 A584 S585 G591	R583-G587 PolarHBondContact O-N 2.91Å; A584-G587 PolarHBondContact O-N 2.77Å; S585-G587 VanDerWaalsContact C-N 3.34Å; G587-G591 PolarHBondContact O-N 2.88Å
588	Y	40.5	Very low	43.1	Very low	170 Å²	170	91.3 Å²	91.3	67%	0.667	51%	0.509	S	S	*	.	H	α-helix	trans	-67.2	-41.1	176.5	-167.8	-101.9	0	0	0	112.5	A584 S585 H586 G591 L592	A584-Y588 PolarHBondContact O-N 2.91Å; S585-Y588 PolarHBondContact O-N 3.07Å; H586-Y588 VanDerWaalsContact C-N 3.35Å; H586-Y588 PolarHBondContact O-N 2.74Å; Y588-G591 PolarHBondContact O-N 2.86Å; Y588-L592 HydrophobicContact CD1-CD1 3.68Å; Y588-L592 HydrophobicContact CD1-CG 4.48Å; Y588-L592 HydrophobicContact CE1-CD1 3.42Å; Y588-L592 VanDerWaalsContact CE1-CD1 3.42Å; Y588-L592 HydrophobicContact CE1-CG 4.19Å; Y588-L592 PolarHBondContact O-N 2.61Å
589	I	40.9	Very low	43.5	Very low	93 Å²	93	94.2 Å²	94.2	48%	0.477	52%	0.515	S	S	.	.	H	α-helix	trans	-63.3	-45.6	175.3	-69.2	169.5	0	0	0	110.9	S585 H586 G591 L592 E593	S585-I589 WeakPolarHBondContact O-CG1 3.47Å; S585-I589 PolarHBondContact O-N 3.02Å; H586-I589 PolarHBondContact O-N 2.8Å; I589-G591 VanDerWaalsContact C-N 3.3Å; I589-G591 PolarHBondContact O-N 2.71Å; I589-L592 WeakPolarHBondContact O-CB 3.29Å; I589-L592 PolarHBondContact O-N 2.6Å; I589-E593 WeakPolarHBondContact O-CG 3.24Å; I589-E593 PolarHBondContact O-N 3.26Å
590	V	44.9	Very low	43.9	Very low	72 Å²	72	94.8 Å²	94.8	44%	0.436	52%	0.518	S	S	.	.	H	α-helix	trans	-62.7	-37.6	175.8	172.4	0	0	0	0	111.4	H586 E593 A594	H586-V590 WeakPolarHBondContact O-CG2 3.38Å; H586-V590 PolarHBondContact O-N 2.67Å; V590-E593 PolarHBondContact O-N 3.31Å; V590-A594 WeakPolarHBondContact O-CB 3.36Å; V590-A594 PolarHBondContact O-N 3.37Å
591	G	42.7	Very low	44.4	Very low	35 Å²	35	95.8 Å²	95.8	36%	0.361	52%	0.521	S	S	.	.	H	α-helix	trans	-63.8	-42.5	173.6	0	0	0	0	0	113.1	G587 Y588 I589 A594 Q595	G587-G591 PolarHBondContact O-N 2.88Å; Y588-G591 PolarHBondContact O-N 2.86Å; I589-G591 VanDerWaalsContact C-N 3.3Å; I589-G591 PolarHBondContact O-N 2.71Å; G591-A594 PolarHBondContact O-N 2.83Å; G591-Q595 PolarHBondContact O-N 2.82Å
592	L	40.6	Very low	44.9	Very low	84 Å²	84	97.5 Å²	97.5	44%	0.44	52%	0.523	S	S	.	.	H	α-helix	trans	-63.6	-42.4	173.4	-90.2	164.3	0	0	0	112	Y588 I589 A594 Q595 L596	Y588-L592 HydrophobicContact CD1-CD1 3.68Å; Y588-L592 HydrophobicContact CD1-CG 4.48Å; Y588-L592 HydrophobicContact CE1-CD1 3.42Å; Y588-L592 VanDerWaalsContact CE1-CD1 3.42Å; Y588-L592 HydrophobicContact CE1-CG 4.19Å; Y588-L592 PolarHBondContact O-N 2.61Å; I589-L592 WeakPolarHBondContact O-CB 3.29Å; I589-L592 PolarHBondContact O-N 2.6Å; L592-A594 VanDerWaalsContact C-N 3.35Å; L592-Q595 PolarHBondContact O-N 2.73Å; L592-L596 WeakPolarHBondContact O-CB 3.32Å; L592-L596 PolarHBondContact O-N 3Å
593	E	41.4	Very low	45.2	Very low	118 Å²	118	100.8 Å²	100.8	55%	0.551	53%	0.528	S	S	*	.	H	α-helix	trans	-64	-39	175.1	-74	-177.9	163.9	0	0	112.1	I589 V590 L596 K597	I589-E593 WeakPolarHBondContact O-CG 3.24Å; I589-E593 PolarHBondContact O-N 3.26Å; V590-E593 PolarHBondContact O-N 3.31Å; E593-L596 PolarHBondContact O-N 2.87Å; E593-K597 WeakPolarHBondContact O-CB 3.32Å; E593-K597 PolarHBondContact O-N 2.78Å
594	A	50.5	Low	45.6	Very low	57 Å²	57	96.6 Å²	96.6	47%	0.471	52%	0.522	S	S	.	.	H	α-helix	trans	-66.2	-41.1	175	0	0	0	0	0	112	V590 G591 L592 K597 S598	V590-A594 WeakPolarHBondContact O-CB 3.36Å; V590-A594 PolarHBondContact O-N 3.37Å; G591-A594 PolarHBondContact O-N 2.83Å; L592-A594 VanDerWaalsContact C-N 3.35Å; A594-K597 PolarHBondContact O-N 2.8Å; A594-S598 PolarHBondContact O-N 3.36Å
595	Q	48.5	Very low	46.2	Very low	121 Å²	121	97.3 Å²	97.3	57%	0.565	52%	0.516	S	S	*	.	H	α-helix	trans	-66.9	-37.5	172.5	-78.1	-169.5	-29.2	0	0	112.5	G591 L592 S598 M599	G591-Q595 PolarHBondContact O-N 2.82Å; L592-Q595 PolarHBondContact O-N 2.73Å; Q595-S598 PolarHBondContact O-N 3.21Å; Q595-S598 PolarHBondContact O-OG 3.03Å; Q595-M599 WeakPolarHBondContact O-CB 3.12Å; Q595-M599 WeakPolarHBondContact O-CG 3.09Å; Q595-M599 PolarHBondContact O-N 3.21Å
596	L	42.4	Very low	46.6	Very low	100 Å²	100	96.9 Å²	96.9	52%	0.524	52%	0.517	S	S	.	.	H	α-helix	trans	-65.4	-40.4	175.6	-160.7	80.5	0	0	0	111	L592 E593 M599 Q600	L592-L596 WeakPolarHBondContact O-CB 3.32Å; L592-L596 PolarHBondContact O-N 3Å; E593-L596 PolarHBondContact O-N 2.87Å; L596-M599 HydrophobicContact CD1-CE 4.14Å; L596-M599 PolarHBondContact O-N 3.35Å; L596-Q600 WeakPolarHBondContact O-CG 3.48Å; L596-Q600 PolarHBondContact O-N 3.14Å
597	K	50.1	Low	47	Very low	156 Å²	156	93.3 Å²	93.3	68%	0.678	51%	0.509	S	S	*	.	H	α-helix	trans	-65.1	-41.3	172.1	-89.2	179.9	175.7	172.8	0	112.5	E593 A594 Q600 S601	E593-K597 WeakPolarHBondContact O-CB 3.32Å; E593-K597 PolarHBondContact O-N 2.78Å; A594-K597 PolarHBondContact O-N 2.8Å; K597-Q600 PolarHBondContact O-N 2.79Å; K597-S601 PolarHBondContact O-N 2.73Å
598	S	52.9	Low	47.6	Very low	57 Å²	57	97.3 Å²	97.3	40%	0.399	52%	0.516	S	S	.	.	H	α-helix	trans	-67.1	-38.1	176.4	82	0	0	0	0	111.7	A594 Q595 Q600 S601 L602	A594-S598 PolarHBondContact O-N 3.36Å; Q595-S598 PolarHBondContact O-N 3.21Å; Q595-S598 PolarHBondContact O-OG 3.03Å; S598-Q600 PolarHBondContact O-N 2.04Å; S598-S601 WeakPolarHBondContact CA-OG 3.21Å; S598-S601 WeakPolarHBondContact O-CB 3.24Å; S598-S601 PolarHBondContact O-N 3.31Å; S598-S601 VanDerWaalsContact O-N 3.12Å; S598-S601 PolarHBondContact O-OG 2.7Å; S598-L602 PolarHBondContact O-N 2.95Å
599	M	47.2	Very low	48	Very low	111 Å²	111	94.4 Å²	94.4	55%	0.547	51%	0.511	S	S	.	.	H	α-helix	trans	-66.3	-33.8	172.4	-74.1	-168.1	-64.3	0	0	113.1	Q595 L596 S601 L602	Q595-M599 WeakPolarHBondContact O-CB 3.12Å; Q595-M599 WeakPolarHBondContact O-CG 3.09Å; Q595-M599 PolarHBondContact O-N 3.21Å; L596-M599 HydrophobicContact CD1-CE 4.14Å; L596-M599 PolarHBondContact O-N 3.35Å; M599-S601 VanDerWaalsContact C-N 3.32Å; M599-L602 PolarHBondContact O-N 2.76Å
600	Q	49.3	Very low	48.5	Very low	110 Å²	110	92.9 Å²	92.9	51%	0.514	51%	0.512	S	S	.	.	H	α-helix	trans	-67	-33.6	170.6	-76.1	177.2	-8.9	0	0	112.1	L596 K597 S598 L602 R603	L596-Q600 WeakPolarHBondContact O-CG 3.48Å; L596-Q600 PolarHBondContact O-N 3.14Å; K597-Q600 PolarHBondContact O-N 2.79Å; S598-Q600 PolarHBondContact O-N 2.04Å; Q600-L602 PolarHBondContact O-N 3.45Å; Q600-R603 PolarHBondContact O-N 3.12Å
601	S	52.5	Low	48.9	Very low	77 Å²	77	96.3 Å²	96.3	54%	0.538	52%	0.523	S	S	.	.	H	α-helix	trans	-72.6	-11.9	173.8	76.9	0	0	0	0	114.5	K597 S598 M599 P604	K597-S601 PolarHBondContact O-N 2.73Å; S598-S601 WeakPolarHBondContact CA-OG 3.21Å; S598-S601 WeakPolarHBondContact O-CB 3.24Å; S598-S601 PolarHBondContact O-N 3.31Å; S598-S601 VanDerWaalsContact O-N 3.12Å; S598-S601 PolarHBondContact O-OG 2.7Å; M599-S601 VanDerWaalsContact C-N 3.32Å; S601-P604 VanDerWaalsContact O-CD 3.28Å; S601-P604 WeakPolarHBondContact O-CD 3.42Å
602	L	49.3	Very low	49.2	Very low	91 Å²	91	100.9 Å²	100.9	48%	0.476	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-10	174	-75.3	166.2	0	0	0	113.5	S598 M599 Q600 P604 I605 A606	S598-L602 PolarHBondContact O-N 2.95Å; M599-L602 PolarHBondContact O-N 2.76Å; Q600-L602 PolarHBondContact O-N 3.45Å; L602-P604 VanDerWaalsContact C-CD 3.48Å; L602-I605 HydrophobicContact CD2-CD1 4.06Å; L602-I605 PolarHBondContact O-N 2.8Å; L602-A606 PolarHBondContact O-N 2.88Å
603	R	49.3	Very low	49.5	Very low	188 Å²	188	104.9 Å²	104.9	71%	0.709	54%	0.542	S	S	*	.	H	α-helix	trans	-58.1	-39.4	176.3	-78.5	-176	172.1	179.9	-2.4	114.2	Q600 A607	Q600-R603 PolarHBondContact O-N 3.12Å; R603-A607 PolarHBondContact O-N 3.14Å
604	P	51.1	Low	50.1	Low	81 Å²	81	101.5 Å²	101.5	53%	0.526	53%	0.534	S	S	.	.	H	α-helix	trans	-66.5	-38.2	174.3	-18.2	31.7	0	0	0	112.6	S601 L602 A607 E608	S601-P604 VanDerWaalsContact O-CD 3.28Å; S601-P604 WeakPolarHBondContact O-CD 3.42Å; L602-P604 VanDerWaalsContact C-CD 3.48Å; P604-A607 WeakPolarHBondContact O-CB 3.3Å; P604-A607 PolarHBondContact O-N 3.25Å; P604-A607 VanDerWaalsContact O-N 3.17Å; P604-E608 PolarHBondContact O-N 2.92Å
605	I	53.3	Low	50.3	Low	81 Å²	81	104.5 Å²	104.5	42%	0.415	54%	0.537	S	S	.	.	H	α-helix	trans	-69.3	-36.5	-179.9	-65.5	173.2	0	0	0	110.9	L602 A607 E608 I609	L602-I605 HydrophobicContact CD2-CD1 4.06Å; L602-I605 PolarHBondContact O-N 2.8Å; I605-A607 VanDerWaalsContact C-N 3.29Å; I605-A607 PolarHBondContact O-N 3.01Å; I605-E608 PolarHBondContact O-N 3.18Å; I605-I609 HydrophobicContact CG2-CD1 3.81Å; I605-I609 HydrophobicContact CG2-CG1 4.34Å; I605-I609 WeakPolarHBondContact O-CB 3.5Å; I605-I609 VanDerWaalsContact O-CG1 3.24Å; I605-I609 WeakPolarHBondContact O-CG1 3.48Å; I605-I609 PolarHBondContact O-N 3Å
606	A	48.4	Very low	50.1	Low	61 Å²	61	103.5 Å²	103.5	50%	0.504	54%	0.535	S	S	.	.	H	α-helix	trans	-63.5	-34.5	172.3	0	0	0	0	0	112.5	L602 A610	L602-A606 PolarHBondContact O-N 2.88Å; A606-A610 WeakPolarHBondContact O-CB 3.34Å; A606-A610 PolarHBondContact O-N 3.01Å; A606-A610 VanDerWaalsContact O-N 3.1Å
607	A	49.3	Very low	50.5	Low	52 Å²	52	105 Å²	105	43%	0.43	54%	0.539	S	S	.	.	H	α-helix	trans	-72	-39.5	175.1	0	0	0	0	0	112.2	R603 P604 I605 A610 Q611	R603-A607 PolarHBondContact O-N 3.14Å; P604-A607 WeakPolarHBondContact O-CB 3.3Å; P604-A607 PolarHBondContact O-N 3.25Å; P604-A607 VanDerWaalsContact O-N 3.17Å; I605-A607 VanDerWaalsContact C-N 3.29Å; I605-A607 PolarHBondContact O-N 3.01Å; A607-A610 PolarHBondContact O-N 3.47Å; A607-Q611 PolarHBondContact O-N 3.42Å
608	E	53.7	Low	50.7	Low	128 Å²	128	105 Å²	105	60%	0.598	54%	0.542	S	S	*	.	H	α-helix	trans	-66.9	-39.4	174.1	-76.2	-178.5	170.6	0	0	112.3	P604 I605 A610 Q611 F612	P604-E608 PolarHBondContact O-N 2.92Å; I605-E608 PolarHBondContact O-N 3.18Å; E608-A610 VanDerWaalsContact C-N 3.32Å; E608-A610 PolarHBondContact O-N 3.05Å; E608-Q611 PolarHBondContact O-N 3.02Å; E608-F612 WeakPolarHBondContact O-CB 3.48Å; E608-F612 PolarHBondContact O-N 2.77Å
609	I	49.2	Very low	50.2	Low	110 Å²	110	105.9 Å²	105.9	56%	0.564	55%	0.547	S	S	*	.	H	α-helix	trans	-64.4	-38	174.5	-70.3	168.9	0	0	0	110.9	I605 F612 R613	I605-I609 HydrophobicContact CG2-CD1 3.81Å; I605-I609 HydrophobicContact CG2-CG1 4.34Å; I605-I609 WeakPolarHBondContact O-CB 3.5Å; I605-I609 VanDerWaalsContact O-CG1 3.24Å; I605-I609 WeakPolarHBondContact O-CG1 3.48Å; I605-I609 PolarHBondContact O-N 3Å; I609-F612 PolarHBondContact O-N 2.88Å; I609-R613 WeakPolarHBondContact O-CB 2.9Å; I609-R613 PolarHBondContact O-N 3.15Å
610	A	51.5	Low	49.8	Very low	60 Å²	60	109 Å²	109	50%	0.496	56%	0.561	S	S	.	*	H	α-helix	trans	-66.3	-40.3	174.9	0	0	0	0	0	112.3	A606 A607 E608 R613 A614	A606-A610 WeakPolarHBondContact O-CB 3.34Å; A606-A610 PolarHBondContact O-N 3.01Å; A606-A610 VanDerWaalsContact O-N 3.1Å; A607-A610 PolarHBondContact O-N 3.47Å; E608-A610 VanDerWaalsContact C-N 3.32Å; E608-A610 PolarHBondContact O-N 3.05Å; A610-R613 PolarHBondContact O-N 2.89Å; A610-A614 PolarHBondContact O-N 2.93Å
611	Q	54.5	Low	49.6	Very low	144 Å²	144	109.6 Å²	109.6	67%	0.673	57%	0.574	S	S	*	*	H	α-helix	trans	-66.9	-40.3	174.3	-75	-177.2	-3.7	0	0	112.3	A607 E608 R613 A614 F615	A607-Q611 PolarHBondContact O-N 3.42Å; E608-Q611 PolarHBondContact O-N 3.02Å; Q611-R613 VanDerWaalsContact C-N 3.33Å; Q611-R613 PolarHBondContact O-N 3.39Å; Q611-A614 PolarHBondContact O-N 2.91Å; Q611-F615 PolarHBondContact O-N 3.23Å
612	F	47.6	Very low	49	Very low	131 Å²	131	114.3 Å²	114.3	58%	0.575	59%	0.589	S	S	*	*	H	α-helix	trans	-66.3	-36.8	177.2	-160.1	-102.8	0	0	0	111.7	E608 I609 F615 L616	E608-F612 WeakPolarHBondContact O-CB 3.48Å; E608-F612 PolarHBondContact O-N 2.77Å; I609-F612 PolarHBondContact O-N 2.88Å; F612-F615 PolarHBondContact O-N 3.42Å; F612-L616 HydrophobicContact CD1-CD1 3.79Å; F612-L616 HydrophobicContact CD1-CG 4.36Å; F612-L616 HydrophobicContact CE1-CD1 3.77Å; F612-L616 HydrophobicContact CE1-CG 4.28Å; F612-L616 WeakPolarHBondContact O-CG 3.43Å; F612-L616 PolarHBondContact O-N 2.96Å
613	R	46.9	Very low	48.5	Very low	169 Å²	169	116.2 Å²	116.2	64%	0.638	61%	0.607	S	S	*	*	H	α-helix	trans	-65.1	-44.1	173.1	-167.3	178.7	-175	164.3	7.1	112.1	I609 A610 Q611 F615 L616 E617	I609-R613 WeakPolarHBondContact O-CB 2.9Å; I609-R613 PolarHBondContact O-N 3.15Å; A610-R613 PolarHBondContact O-N 2.89Å; Q611-R613 VanDerWaalsContact C-N 3.33Å; Q611-R613 PolarHBondContact O-N 3.39Å; R613-F615 VanDerWaalsContact C-N 3.28Å; R613-F615 PolarHBondContact O-N 2.92Å; R613-L616 PolarHBondContact O-N 3.08Å; R613-E617 IonicContact NE-OE1 3.63Å; R613-E617 WeakPolarHBondContact O-CG 2.91Å; R613-E617 PolarHBondContact O-N 2.84Å
614	A	53.8	Low	48	Very low	46 Å²	46	112.1 Å²	112.1	38%	0.38	61%	0.614	S	S	.	*	H	α-helix	trans	-64.1	-32.1	175.7	0	0	0	0	0	112.8	A610 Q611 Q618	A610-A614 PolarHBondContact O-N 2.93Å; Q611-A614 PolarHBondContact O-N 2.91Å; A614-Q618 WeakPolarHBondContact O-CG 3.26Å; A614-Q618 PolarHBondContact O-N 3.12Å
615	F	56	Low	47.3	Very low	121 Å²	121	113.7 Å²	113.7	53%	0.531	63%	0.626	S	S	.	*	H	α-helix	trans	-69.2	-42.6	173.3	179.5	-100.5	0	0	0	112.1	Q611 F612 R613 E617 Q618	Q611-F615 PolarHBondContact O-N 3.23Å; F612-F615 PolarHBondContact O-N 3.42Å; R613-F615 VanDerWaalsContact C-N 3.28Å; R613-F615 PolarHBondContact O-N 2.92Å; F615-E617 VanDerWaalsContact C-N 3.35Å; F615-E617 PolarHBondContact O-N 3.01Å; F615-Q618 PolarHBondContact O-N 3.16Å
616	L	44.3	Very low	46.4	Very low	99 Å²	99	125 Å²	125	52%	0.518	66%	0.664	S	S	.	*	H	α-helix	trans	-66.5	-35.1	177.7	-72.9	170.5	0	0	0	112.8	F612 R613 Q618 C619	F612-L616 HydrophobicContact CD1-CD1 3.79Å; F612-L616 HydrophobicContact CD1-CG 4.36Å; F612-L616 HydrophobicContact CE1-CD1 3.77Å; F612-L616 HydrophobicContact CE1-CG 4.28Å; F612-L616 WeakPolarHBondContact O-CG 3.43Å; F612-L616 PolarHBondContact O-N 2.96Å; R613-L616 PolarHBondContact O-N 3.08Å; L616-Q618 PolarHBondContact O-N 3.41Å; L616-C619 PolarHBondContact O-N 3.1Å; L616-C619 VanDerWaalsContact O-N 3.14Å
617	E	51.1	Low	46.3	Very low	131 Å²	131	128.2 Å²	128.2	61%	0.612	67%	0.672	S	S	*	*	H	α-helix	trans	-69.3	-17.8	175.4	-72.9	171.9	-173.5	0	0	112.8	R613 F615	R613-E617 IonicContact NE-OE1 3.63Å; R613-E617 WeakPolarHBondContact O-CG 2.91Å; R613-E617 PolarHBondContact O-N 2.84Å; F615-E617 VanDerWaalsContact C-N 3.35Å; F615-E617 PolarHBondContact O-N 3.01Å
618	Q	54	Low	46.1	Very low	157 Å²	157	132.2 Å²	132.2	73%	0.734	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-5.5	172.4	-69.2	173.9	22.9	0	0	113.4	A614 F615 L616	A614-Q618 WeakPolarHBondContact O-CG 3.26Å; A614-Q618 PolarHBondContact O-N 3.12Å; F615-Q618 PolarHBondContact O-N 3.16Å; L616-Q618 PolarHBondContact O-N 3.41Å
619	C	41.9	Very low	45.7	Very low	76 Å²	76	132.4 Å²	132.4	51%	0.514	69%	0.689	S	S	.	*			trans	-103.1	34.3	-179.5	-68	0	0	0	0	113.2	L616 P621	L616-C619 PolarHBondContact O-N 3.1Å; L616-C619 VanDerWaalsContact O-N 3.14Å; C619-P621 WeakPolarHBondContact O-CD 3.44Å
620	E	39.5	Very low	45.5	Very low	177 Å²	177	133.8 Å²	133.8	83%	0.827	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-67	124.1	163.7	-83.7	-168.3	160.1	0	0	110.3
621	P	43.6	Very low	45.1	Very low	121 Å²	121	138.4 Å²	138.4	79%	0.786	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-74.3	131	171.6	-7.3	23.7	0	0	0	110.4	C619	C619-P621 WeakPolarHBondContact O-CD 3.44Å
622	M	40	Very low	44.5	Very low	177 Å²	177	138 Å²	138	87%	0.872	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-47.6	148	167	-85.4	-167.3	-100	0	0	112.4	A624	M622-A624 PolarHBondContact O-N 3.25Å
623	P	39	Very low	44.2	Very low	131 Å²	131	138.5 Å²	138.5	85%	0.851	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-69.9	120.1	-175.4	28.6	-32.3	0	0	0	110.5
624	A	39.7	Very low	44	Very low	102 Å²	102	136.2 Å²	136.2	84%	0.843	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-84.8	118.2	171.6	0	0	0	0	0	110.2	M622	M622-A624 PolarHBondContact O-N 3.25Å
625	S	36.8	Very low	43.2	Very low	113 Å²	113	143.7 Å²	143.7	79%	0.79	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-53.5	125.8	169.3	54	0	0	0	0	114
626	R	32.9	Very low	42.1	Very low	319 Å²	319	145.7 Å²	145.7	100%	1.204	78%	0.777	S	S	*	*				-175.4	0	127.3	-106.6	-179.7	-174.6	-174.1	2.5	111.8

Retrieved 626 of 626 residues in 668 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).