A0A087YKV3_POEFO Loading...

tRNA (guanine(10)-N(2))-methyltransferase TRMT11

Catalytic subunit of the TRMT11-TRM112 methyltransferase complex, that specifically mediates the S-adenosyl-L-methionine-dependent N(2)-methylation of guanosine nucleotide at position 10 (m2G10) in tRNAs. This is one of the major tRNA (guanine-N(2))-methyltransferases.

AlphaFold DB , UniProt , Accession A0A087YKV3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 466 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37	Very low	48.9	Very low	250 Å²	250	107.1 Å²	107.1	100%	1.232	68%	0.678	S	S	*	*				0	116.9	0	-66.4	-161.2	-89.7	0	0	106.3
2	A	30.9	Very low	52.7	Low	101 Å²	101	98.3 Å²	98.3	84%	0.835	62%	0.622	S	S	*	*			cis	-124.5	137.7	23.9	0	0	0	0	0	111.3	S4	A2-S4 PolarHBondContact O-N 2.9Å
3	A	29.4	Very low	56	Low	101 Å²	101	90.8 Å²	90.8	84%	0.835	58%	0.575	S	S	*	*			trans	-67.8	117.6	166.5	0	0	0	0	0	108	G5	A3-G5 VanDerWaalsContact C-N 3.28Å; A3-G5 PolarHBondContact O-N 3.07Å
4	S	35.3	Very low	58.8	Low	119 Å²	119	84.4 Å²	84.4	83%	0.832	53%	0.534	S	S	*	.			trans	-67.3	93.1	164.6	55.3	0	0	0	0	107.4	A2 S6	A2-S4 PolarHBondContact O-N 2.9Å; S4-S6 PolarHBondContact O-N 2.7Å
5	G	29.3	Very low	61.3	Low	65 Å²	65	80.3 Å²	80.3	67%	0.67	51%	0.506	S	S	*	.			trans	-58.3	107.3	170.3	0	0	0	0	0	108.7	A3 K7	A3-G5 VanDerWaalsContact C-N 3.28Å; A3-G5 PolarHBondContact O-N 3.07Å; G5-K7 PolarHBondContact O-N 3.48Å
6	S	38.3	Very low	63.4	Low	114 Å²	114	75.3 Å²	75.3	80%	0.797	47%	0.474	S	S	*	.			trans	-58.3	92.6	162.4	166.9	0	0	0	0	107	S4 S8	S4-S6 PolarHBondContact O-N 2.7Å; S6-S8 PolarHBondContact O-N 3.22Å; S6-S8 VanDerWaalsContact O-N 3.11Å
7	K	44.2	Very low	65.2	Low	197 Å²	197	70.9 Å²	70.9	86%	0.857	45%	0.447	S	S	*	.			trans	-63.1	111.7	161.3	-78.3	-176.2	176.4	-179	0	104.5	G5 C9	G5-K7 PolarHBondContact O-N 3.48Å; K7-C9 VanDerWaalsContact C-N 3.29Å; K7-C9 PolarHBondContact O-N 3.45Å
8	S	53.1	Low	66.7	Low	70 Å²	70	71.4 Å²	71.4	49%	0.49	44%	0.442	S	S	.	.			trans	-59.1	98	172.8	60.1	0	0	0	0	107.7	S6 L10 K99	S6-S8 PolarHBondContact O-N 3.22Å; S6-S8 VanDerWaalsContact O-N 3.11Å; S8-L10 PolarHBondContact O-N 3.26Å; S8-K99 PolarHBondContact O-NZ 3.15Å; S8-K99 PolarHBondContact OG-NZ 3.06Å
9	C	64.4	Low	67.9	Low	65 Å²	65	70.5 Å²	70.5	44%	0.439	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-63.4	128.7	178.1	-169.3	0	0	0	0	107.1	K7 C56	K7-C9 VanDerWaalsContact C-N 3.29Å; K7-C9 PolarHBondContact O-N 3.45Å; C9-C56 WeakPolarHBondContact SG-CA 3.36Å; C9-C56 PolarHBondContact SG-N 2.92Å
10	L	84.6	Confident	69	Low	44 Å²	44	70 Å²	70	23%	0.23	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-58.9	140.9	170.9	-71.8	171.6	0	0	0	108.7	S8 Y12 E77 Y95 K99	S8-L10 PolarHBondContact O-N 3.26Å; L10-Y12 HydrophobicContact CB-CE2 3.78Å; L10-Y12 WeakPolarHBondContact CD1-OH 3.44Å; L10-E77 HydrophobicContact CD2-CG 4.5Å; L10-E77 VanDerWaalsContact CD2-OE1 3.26Å; L10-E77 WeakPolarHBondContact CD2-OE1 3.49Å; L10-Y95 WeakPolarHBondContact CD2-OH 3.49Å; L10-K99 HydrophobicContact CD2-CD 3.76Å
11	Q	91.7	Very high	70.2	Confident	52 Å²	52	68 Å²	68	24%	0.243	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-101.6	138	172.7	-173.7	166.1	57.2	0	0	108.5	C53 D55 L78	Q11-C53 HydrophobicContact CG-CB 4.46Å; Q11-D55 VanDerWaalsContact CG-OD1 3.25Å; Q11-D55 WeakPolarHBondContact CG-OD1 3.3Å; Q11-D55 PolarHBondContact NE2-OD1 2.78Å; Q11-L78 HydrophobicContact CB-CB 4.38Å; Q11-L78 HydrophobicContact CG-CB 4.31Å; Q11-L78 HydrophobicContact CG-CD2 4.03Å; Q11-L78 WeakPolarHBondContact O-CB 3.42Å; Q11-L78 PolarHBondContact O-N 3.4Å
12	Y	94.2	Very high	72.9	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.008	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	147.3	176.9	-63.2	-88.3	0	0	0	110.3	L10 C53 L54 L57 E59 V62 F76 E77 I177	L10-Y12 HydrophobicContact CB-CE2 3.78Å; L10-Y12 WeakPolarHBondContact CD1-OH 3.44Å; Y12-C53 CarbonylContact O-C 3.38Å; Y12-C53 WeakPolarHBondContact O-CA 3.39Å; Y12-L54 PolarHBondContact N-O 2.85Å; Y12-L54 PolarHBondContact O-N 3.39Å; Y12-L57 HydrophobicContact CD2-CB 4.09Å; Y12-L57 HydrophobicContact CE2-CB 4.31Å; Y12-L57 VanDerWaalsContact CE2-O 3.27Å; Y12-L57 WeakPolarHBondContact CE2-O 3.01Å; Y12-E59 HydrophobicContact CE1-CB 4.42Å; Y12-E59 WeakPolarHBondContact OH-CA 3.39Å; Y12-E59 PolarHBondContact OH-N 3.2Å; Y12-V62 HydrophobicContact CD1-CB 4.44Å; Y12-V62 HydrophobicContact CD1-CG1 4.5Å; Y12-V62 HydrophobicContact CD1-CG2 3.68Å; Y12-V62 HydrophobicContact CD2-CG2 3.91Å; Y12-V62 HydrophobicContact CE1-CG2 4.06Å; Y12-V62 HydrophobicContact CE2-CG2 4.29Å; Y12-V62 HydrophobicContact CG-CG2 3.59Å; Y12-F76 CarbonylContact C-O 3.44Å; Y12-F76 WeakPolarHBondContact CA-O 3.05Å; Y12-E77 HydrophobicContact CD1-CB 4.33Å; Y12-E77 HydrophobicContact CE1-CB 4.2Å; Y12-I177 HydrophobicContact CD1-CG1 4.45Å; Y12-I177 HydrophobicContact CE1-CG1 4.41Å
13	L	95.4	Very high	76	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	122.2	176.4	-175.5	75	0	0	0	109.3	F51 A75 F76 L78 L154 Y172	L13-F51 HydrophobicContact CD1-CB 4.05Å; L13-F51 HydrophobicContact CD2-CD1 4.29Å; L13-A75 CarbonylContact O-C 3.56Å; L13-A75 WeakPolarHBondContact O-CA 3.27Å; L13-F76 HydrophobicContact CB-CB 4.32Å; L13-F76 HydrophobicContact CD2-CD2 4.4Å; L13-F76 PolarHBondContact N-O 3.06Å; L13-F76 WeakPolarHBondContact O-CD2 3.13Å; L13-F76 PolarHBondContact O-N 2.86Å; L13-L78 HydrophobicContact CB-CB 4.32Å; L13-L78 HydrophobicContact CB-CD1 4.31Å; L13-L78 HydrophobicContact CB-CD2 4.48Å; L13-L78 HydrophobicContact CD2-CD1 4.38Å; L13-L154 HydrophobicContact CD2-CD1 4Å; L13-Y172 HydrophobicContact CD1-CD1 3.75Å; L13-Y172 HydrophobicContact CD1-CE1 3.8Å; L13-Y172 HydrophobicContact CD1-CG 4.27Å; L13-Y172 HydrophobicContact CD2-CD1 3.93Å; L13-Y172 HydrophobicContact CD2-CD2 4.25Å; L13-Y172 HydrophobicContact CD2-CG 3.68Å; L13-Y172 HydrophobicContact CG-CD1 4.48Å
14	F	95.6	Very high	79.1	Confident	1 Å²	1	49 Å²	49	0%	0.004	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	121.5	172.7	-81.4	37.4	0	0	0	108.6	L16 I28 F51 W52 L54 V62 V65 M66 A72 A75	F14-L16 HydrophobicContact CB-CD2 4.08Å; F14-L16 HydrophobicContact CB-CG 4.43Å; F14-L16 HydrophobicContact CD2-CD2 4.46Å; F14-I28 HydrophobicContact CD2-CD1 4.12Å; F14-I28 HydrophobicContact CE2-CD1 3.95Å; F14-F51 WeakPolarHBondContact O-CA 3.35Å; F14-W52 HydrophobicContact CB-CB 4.44Å; F14-W52 PolarHBondContact N-O 3.16Å; F14-W52 PolarHBondContact O-N 2.88Å; F14-L54 HydrophobicContact CD1-CD1 3.63Å; F14-L54 HydrophobicContact CD2-CD1 4.02Å; F14-L54 HydrophobicContact CE1-CD1 3.67Å; F14-L54 HydrophobicContact CE2-CD1 4.05Å; F14-L54 HydrophobicContact CG-CD1 3.82Å; F14-L54 HydrophobicContact CZ-CD1 3.88Å; F14-V62 HydrophobicContact CE1-CB 4.37Å; F14-V62 HydrophobicContact CE1-CG1 3.77Å; F14-V62 HydrophobicContact CE1-CG2 3.94Å; F14-V62 HydrophobicContact CZ-CB 4.45Å; F14-V62 HydrophobicContact CZ-CG1 4.01Å; F14-V62 HydrophobicContact CZ-CG2 4.27Å; F14-V65 HydrophobicContact CE2-CB 4.42Å; F14-V65 HydrophobicContact CE2-CG1 3.73Å; F14-V65 HydrophobicContact CZ-CB 4.47Å; F14-V65 HydrophobicContact CZ-CG1 4.25Å; F14-M66 HydrophobicContact CD2-SD 4.16Å; F14-M66 HydrophobicContact CE2-SD 3.82Å; F14-M66 HydrophobicContact CZ-SD 4.16Å; F14-A72 HydrophobicContact CD2-CB 4.39Å; F14-A75 HydrophobicContact CD1-CB 3.86Å; F14-A75 HydrophobicContact CE1-CB 3.76Å; F14-A75 HydrophobicContact CG-CB 4.49Å; F14-A75 HydrophobicContact CZ-CB 4.32Å
15	H	95.9	Very high	81.9	Confident	23 Å²	23	44.9 Å²	44.9	11%	0.106	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	105.2	165.9	175.3	-159.3	0	0	0	108	P50 F51 K73 S74 F76 L154	H15-P50 CarbonylContact C-O 3.52Å; H15-P50 WeakPolarHBondContact CA-O 3.42Å; H15-F51 HydrophobicContact CB-CD1 4.12Å; H15-F51 HydrophobicContact CB-CE1 3.94Å; H15-F51 AromaticContact CD2-CE1 3.66Å; H15-F51 AromaticContact CG-CE1 3.78Å; H15-K73 VanDerWaalsContact CE1-CD 3.48Å; H15-K73 WeakPolarHBondContact CE1-CD 3.39Å; H15-K73 WeakPolarHBondContact NE2-CD 3.41Å; H15-K73 PolarHBondContact NE2-NZ 3.09Å; H15-K73 WeakPolarHBondContact O-CA 3.44Å; H15-K73 WeakPolarHBondContact O-CB 3.32Å; H15-K73 PolarHBondContact O-N 2.97Å; H15-S74 PolarHBondContact N-O 3.2Å; H15-S74 PolarHBondContact O-N 3.45Å; H15-F76 HydrophobicContact CB-CE2 3.96Å; H15-L154 HydrophobicContact CB-CD2 4.37Å
16	L	95.3	Very high	85	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	150.8	-178.4	-57.9	176.5	0	0	0	111	F14 R24 F45 P50 W52 A72	F14-L16 HydrophobicContact CB-CD2 4.08Å; F14-L16 HydrophobicContact CB-CG 4.43Å; F14-L16 HydrophobicContact CD2-CD2 4.46Å; L16-R24 VanDerWaalsContact CB-NH1 3.34Å; L16-R24 HydrophobicContact CD1-CB 4.19Å; L16-F45 HydrophobicContact CD1-CE2 4.07Å; L16-F45 HydrophobicContact CD1-CZ 4.49Å; L16-P50 PolarHBondContact N-O 3.23Å; L16-W52 HydrophobicContact CD1-CB 4.06Å; L16-W52 HydrophobicContact CD1-CE3 4.22Å; L16-A72 HydrophobicContact CD2-CB 4.06Å
17	A	93.7	Very high	87.8	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.008	19%	0.193	C	C	.	.			trans	-65.8	151	166.8	0	0	0	0	0	110.9	D19 R24 C71 K73 R182	A17-D19 VanDerWaalsContact C-N 3.26Å; A17-D19 WeakPolarHBondContact CB-OD1 3.46Å; A17-D19 PolarHBondContact O-N 3.21Å; A17-R24 VanDerWaalsContact O-CD 3.26Å; A17-R24 WeakPolarHBondContact O-CD 3.32Å; A17-R24 PolarHBondContact O-NH1 3.33Å; A17-R24 VanDerWaalsContact O-NH1 3.08Å; A17-C71 WeakPolarHBondContact CB-O 3.45Å; A17-C71 PolarHBondContact N-O 2.81Å; A17-K73 HydrophobicContact CB-CG 4.26Å; A17-R182 VanDerWaalsContact CB-CZ 3.48Å
18	H	91.7	Very high	90.1	Very high	79 Å²	79	27.9 Å²	27.9	37%	0.366	15%	0.152	S	C	.	.	S	Bend	trans	-102.4	47.1	177.3	-159.5	73.3	0	0	0	109.5	F117	H18-F117 HydrophobicContact CB-CE2 3.79Å; H18-F117 HydrophobicContact CB-CZ 4.18Å; H18-F117 AromaticContact CE1-CZ 3.96Å; H18-F117 AromaticContact CG-CE2 3.85Å; H18-F117 AromaticContact CG-CZ 3.69Å; H18-F117 AromaticContact ND1-CZ 3.66Å
19	D	90.1	Very high	92	Very high	55 Å²	55	28.8 Å²	28.8	29%	0.294	15%	0.147	S	C	.	.	S	Bend	trans	-132.1	159.1	168.1	51.3	28.5	0	0	0	107.5	A17 L21 R182	A17-D19 VanDerWaalsContact C-N 3.26Å; A17-D19 WeakPolarHBondContact CB-OD1 3.46Å; A17-D19 PolarHBondContact O-N 3.21Å; D19-L21 VanDerWaalsContact C-N 3.33Å; D19-L21 PolarHBondContact O-N 3.12Å; D19-R182 IonicContact OD1-CZ 3.19Å; D19-R182 IonicContact OD1-NH1 3.95Å; D19-R182 PolarHBondContact OD1-NH1 3.03Å; D19-R182 IonicContact OD1-NH2 2.76Å; D19-R182 IonicContact OD2-CZ 3.65Å; D19-R182 IonicContact OD2-NH1 3.77Å; D19-R182 PolarHBondContact OD2-NH1 2.91Å; D19-R182 IonicContact OD2-NH2 2.64Å; D19-R182 PolarHBondContact OD2-NH2 3.15Å
20	H	90.9	Very high	93.5	Very high	59 Å²	59	25.8 Å²	25.8	27%	0.273	13%	0.127	S	C	.	.	S	Bend	trans	48.1	50.9	174.1	-60.9	-60.6	0	0	0	113.5	D22 F23 R24 I208	H20-D22 VanDerWaalsContact C-N 3.34Å; H20-D22 PolarHBondContact O-N 2.93Å; H20-F23 HydrophobicContact CB-CB 4.28Å; H20-F23 HydrophobicContact CB-CD2 3.52Å; H20-F23 HydrophobicContact CB-CE2 4.2Å; H20-F23 HydrophobicContact CB-CG 4.16Å; H20-F23 WeakPolarHBondContact O-CB 3.45Å; H20-F23 WeakPolarHBondContact O-CD2 3.5Å; H20-F23 PolarHBondContact O-N 2.99Å; H20-R24 WeakPolarHBondContact O-CG 3.34Å; H20-I208 HydrophobicContact CB-CD1 4.49Å
21	L	93	Very high	94	Very high	30 Å²	30	23.8 Å²	23.8	16%	0.157	12%	0.117	C	C	.	.	H	α-helix	trans	-56.7	-44	-168.3	-58.7	179.6	0	0	0	113.4	D19 F23 R24 E47 Q48	D19-L21 VanDerWaalsContact C-N 3.33Å; D19-L21 PolarHBondContact O-N 3.12Å; L21-F23 PolarHBondContact O-N 2.89Å; L21-F23 VanDerWaalsContact O-N 3.12Å; L21-R24 WeakPolarHBondContact O-CG 3.41Å; L21-R24 PolarHBondContact O-N 3.33Å; L21-R24 PolarHBondContact O-NE 3.44Å; L21-E47 HydrophobicContact CB-CG 4.12Å; L21-Q48 VanDerWaalsContact CD1-OE1 3.24Å
22	D	93.6	Very high	94	Very high	51 Å²	51	21.5 Å²	21.5	27%	0.273	11%	0.106	S	C	.	.	H	α-helix	trans	-59.9	-20.2	177.9	-64.3	43.3	0	0	0	114.4	H20 P26 E47 C398 E399	H20-D22 VanDerWaalsContact C-N 3.34Å; H20-D22 PolarHBondContact O-N 2.93Å; D22-P26 VanDerWaalsContact O-CD 3.24Å; D22-P26 WeakPolarHBondContact O-CD 3.27Å; D22-E47 VanDerWaalsContact CA-OE1 3.28Å; D22-E47 WeakPolarHBondContact CA-OE1 3.21Å; D22-C398 HydrophobicContact CB-CB 3.97Å; D22-C398 PolarHBondContact O-SG 3.26Å; D22-E399 WeakPolarHBondContact OD2-CB 3.28Å; D22-E399 PolarHBondContact OD2-N 2.75Å
23	F	95.8	Very high	93.9	Very high	1 Å²	1	22.9 Å²	22.9	0%	0.004	12%	0.118	C	C	.	.	H	α-helix	trans	-91	-19.1	-174.5	-59	-94.6	0	0	0	112.3	H20 L21 E27 I208 W373 C398 E399 Q400 L410	H20-F23 HydrophobicContact CB-CB 4.28Å; H20-F23 HydrophobicContact CB-CD2 3.52Å; H20-F23 HydrophobicContact CB-CE2 4.2Å; H20-F23 HydrophobicContact CB-CG 4.16Å; H20-F23 WeakPolarHBondContact O-CB 3.45Å; H20-F23 WeakPolarHBondContact O-CD2 3.5Å; H20-F23 PolarHBondContact O-N 2.99Å; L21-F23 PolarHBondContact O-N 2.89Å; L21-F23 VanDerWaalsContact O-N 3.12Å; F23-E27 VanDerWaalsContact O-CB 3.24Å; F23-E27 WeakPolarHBondContact O-CB 3.45Å; F23-E27 PolarHBondContact O-N 3.32Å; F23-I208 HydrophobicContact CB-CD1 4.24Å; F23-I208 HydrophobicContact CB-CG2 4.15Å; F23-I208 HydrophobicContact CD1-CG2 3.77Å; F23-I208 HydrophobicContact CG-CD1 4.48Å; F23-I208 HydrophobicContact CG-CG2 4.33Å; F23-W373 AromaticContact CE1-CH2 3.55Å; F23-W373 HydrophobicContact CE1-CH2 3.55Å; F23-W373 HydrophobicContact CE1-CZ2 4.39Å; F23-W373 HydrophobicContact CE1-CZ3 4.17Å; F23-W373 AromaticContact CZ-CH2 3.56Å; F23-W373 HydrophobicContact CZ-CH2 3.56Å; F23-W373 HydrophobicContact CZ-CZ3 4.03Å; F23-C398 HydrophobicContact CD1-CB 3.67Å; F23-C398 HydrophobicContact CD2-CB 4.38Å; F23-C398 HydrophobicContact CE1-CB 3.55Å; F23-C398 HydrophobicContact CE2-CB 4.3Å; F23-C398 HydrophobicContact CG-CB 4.1Å; F23-C398 HydrophobicContact CZ-CB 3.86Å; F23-E399 WeakPolarHBondContact CE2-O 3.17Å; F23-Q400 HydrophobicContact CE2-CB 4.37Å; F23-Q400 HydrophobicContact CZ-CB 4.01Å; F23-L410 HydrophobicContact CD1-CD2 3.88Å; F23-L410 HydrophobicContact CE1-CB 3.69Å; F23-L410 HydrophobicContact CE1-CD2 3.74Å; F23-L410 HydrophobicContact CE1-CG 4.36Å
24	R	94.9	Very high	93.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-66.2	-50.4	-168.6	-51.9	-175.5	-62.3	155.1	10.8	111.4	L16 A17 H20 L21 I28 F45 E47 S49 C71	L16-R24 VanDerWaalsContact CB-NH1 3.34Å; L16-R24 HydrophobicContact CD1-CB 4.19Å; A17-R24 VanDerWaalsContact O-CD 3.26Å; A17-R24 WeakPolarHBondContact O-CD 3.32Å; A17-R24 PolarHBondContact O-NH1 3.33Å; A17-R24 VanDerWaalsContact O-NH1 3.08Å; H20-R24 WeakPolarHBondContact O-CG 3.34Å; L21-R24 WeakPolarHBondContact O-CG 3.41Å; L21-R24 PolarHBondContact O-N 3.33Å; L21-R24 PolarHBondContact O-NE 3.44Å; R24-I28 WeakPolarHBondContact O-CG1 3.15Å; R24-I28 PolarHBondContact O-N 2.79Å; R24-F45 HydrophobicContact CB-CZ 4.4Å; R24-E47 VanDerWaalsContact NH2-C 3.33Å; R24-E47 PolarHBondContact NH2-O 2.88Å; R24-S49 PolarHBondContact NH1-O 3.43Å; R24-S49 PolarHBondContact NH2-O 2.99Å; R24-C71 HydrophobicContact CB-CB 4.22Å; R24-C71 HydrophobicContact CG-CB 3.95Å
25	L	93.6	Very high	92.9	Very high	32 Å²	32	29.7 Å²	29.7	17%	0.168	15%	0.147	C	C	.	.	H	α-helix	trans	-65.9	-48.4	178.4	169.4	68.2	0	0	0	112.2	E27 I28 K29 P41 F45 W52	L25-E27 PolarHBondContact O-N 3.31Å; L25-I28 PolarHBondContact O-N 3.45Å; L25-K29 HydrophobicContact CD1-CD 4.1Å; L25-K29 HydrophobicContact CD1-CG 4.14Å; L25-K29 HydrophobicContact CG-CD 4.2Å; L25-K29 WeakPolarHBondContact O-CB 3.28Å; L25-K29 WeakPolarHBondContact O-CG 3.37Å; L25-K29 PolarHBondContact O-N 3Å; L25-P41 HydrophobicContact CD1-CG 3.98Å; L25-F45 HydrophobicContact CB-CD1 3.83Å; L25-F45 HydrophobicContact CB-CE1 3.6Å; L25-F45 HydrophobicContact CB-CE2 4.36Å; L25-F45 HydrophobicContact CB-CG 4.31Å; L25-F45 HydrophobicContact CB-CZ 3.88Å; L25-F45 HydrophobicContact CD1-CG 4.42Å; L25-F45 HydrophobicContact CD2-CB 4.37Å; L25-F45 HydrophobicContact CD2-CD1 3.76Å; L25-F45 HydrophobicContact CD2-CE1 4.33Å; L25-F45 HydrophobicContact CD2-CG 4.18Å; L25-F45 HydrophobicContact CG-CD1 4.29Å; L25-W52 HydrophobicContact CD1-CH2 3.29Å; L25-W52 HydrophobicContact CD1-CZ2 3.72Å; L25-W52 HydrophobicContact CD1-CZ3 4.13Å
26	P	95.1	Very high	92.1	Very high	20 Å²	20	36.4 Å²	36.4	13%	0.13	18%	0.182	C	C	.	.	H	α-helix	trans	-63.1	-35.6	177.8	-31.9	43.4	0	0	0	115.1	D22 S30 H212 C398	D22-P26 VanDerWaalsContact O-CD 3.24Å; D22-P26 WeakPolarHBondContact O-CD 3.27Å; P26-S30 WeakPolarHBondContact O-CB 3.39Å; P26-S30 PolarHBondContact O-N 3.29Å; P26-S30 PolarHBondContact O-OG 3.11Å; P26-H212 WeakPolarHBondContact CB-CE1 3.46Å; P26-C398 VanDerWaalsContact CG-SG 3.58Å
27	E	96.4	Very high	90.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62	-52.6	174.3	-172.2	-168.5	-139.6	0	0	110.1	F23 L25 K29 S30 L31 S69 V70 C71 N211	F23-E27 VanDerWaalsContact O-CB 3.24Å; F23-E27 WeakPolarHBondContact O-CB 3.45Å; F23-E27 PolarHBondContact O-N 3.32Å; L25-E27 PolarHBondContact O-N 3.31Å; E27-K29 VanDerWaalsContact C-N 3.35Å; E27-K29 PolarHBondContact O-N 3.23Å; E27-S30 WeakPolarHBondContact O-CB 3.38Å; E27-S30 PolarHBondContact O-N 3.04Å; E27-L31 HydrophobicContact CG-CD1 4.1Å; E27-L31 WeakPolarHBondContact O-CG 3.47Å; E27-L31 PolarHBondContact O-N 2.85Å; E27-S69 PolarHBondContact OE2-OG 2.64Å; E27-V70 WeakPolarHBondContact OE1-CG2 3.3Å; E27-V70 PolarHBondContact OE1-N 3.45Å; E27-V70 VanDerWaalsContact OE1-N 3.1Å; E27-V70 PolarHBondContact OE2-N 2.89Å; E27-C71 WeakPolarHBondContact OE2-CB 3.46Å; E27-C71 PolarHBondContact OE2-N 2.97Å; E27-C71 PolarHBondContact OE2-SG 3.33Å; E27-N211 HydrophobicContact CG-CB 3.86Å; E27-N211 PolarHBondContact OE1-ND2 2.88Å
28	I	93.9	Very high	89.5	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.7	-41.2	-178.4	-60.7	-65.2	0	0	0	111.3	F14 R24 L25 S30 L31 L32 W52 V65	F14-I28 HydrophobicContact CD2-CD1 4.12Å; F14-I28 HydrophobicContact CE2-CD1 3.95Å; R24-I28 WeakPolarHBondContact O-CG1 3.15Å; R24-I28 PolarHBondContact O-N 2.79Å; L25-I28 PolarHBondContact O-N 3.45Å; I28-S30 VanDerWaalsContact C-N 3.29Å; I28-S30 PolarHBondContact O-N 3.2Å; I28-L31 PolarHBondContact O-N 2.95Å; I28-L32 HydrophobicContact CG2-CD1 4.02Å; I28-L32 WeakPolarHBondContact O-CG 3.44Å; I28-L32 PolarHBondContact O-N 2.97Å; I28-W52 HydrophobicContact CB-CH2 4.44Å; I28-W52 HydrophobicContact CB-CZ3 3.89Å; I28-W52 HydrophobicContact CG1-CZ3 4.05Å; I28-W52 HydrophobicContact CG2-CH2 4.16Å; I28-W52 HydrophobicContact CG2-CZ3 3.8Å; I28-V65 HydrophobicContact CD1-CG1 3.37Å; I28-V65 HydrophobicContact CG2-CG1 4.37Å
29	K	93.1	Very high	88.5	Confident	89 Å²	89	43.3 Å²	43.3	39%	0.387	22%	0.223	S	C	.	.	H	α-helix	trans	-57.7	-41.7	172.5	-82	-179.9	170	179.8	0	112.1	L25 E27 L32 A33 F39	L25-K29 HydrophobicContact CD1-CD 4.1Å; L25-K29 HydrophobicContact CD1-CG 4.14Å; L25-K29 HydrophobicContact CG-CD 4.2Å; L25-K29 WeakPolarHBondContact O-CB 3.28Å; L25-K29 WeakPolarHBondContact O-CG 3.37Å; L25-K29 PolarHBondContact O-N 3Å; E27-K29 VanDerWaalsContact C-N 3.35Å; E27-K29 PolarHBondContact O-N 3.23Å; K29-L32 PolarHBondContact O-N 2.99Å; K29-A33 VanDerWaalsContact O-CB 3.31Å; K29-A33 WeakPolarHBondContact O-CB 3.26Å; K29-A33 PolarHBondContact O-N 3.41Å; K29-F39 HydrophobicContact CG-CD1 4.07Å
30	S	95.4	Very high	87.4	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.014	24%	0.243	C	C	.	.	H	α-helix	trans	-68.8	-39.4	179.6	-59.6	0	0	0	0	112.2	P26 E27 I28 A33 L34 N211 R369	P26-S30 WeakPolarHBondContact O-CB 3.39Å; P26-S30 PolarHBondContact O-N 3.29Å; P26-S30 PolarHBondContact O-OG 3.11Å; E27-S30 WeakPolarHBondContact O-CB 3.38Å; E27-S30 PolarHBondContact O-N 3.04Å; I28-S30 VanDerWaalsContact C-N 3.29Å; I28-S30 PolarHBondContact O-N 3.2Å; S30-A33 PolarHBondContact O-N 2.87Å; S30-L34 PolarHBondContact O-N 3.06Å; S30-N211 WeakPolarHBondContact CB-O 3.46Å; S30-R369 PolarHBondContact OG-NH1 3.47Å
31	L	95.3	Very high	86.1	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-67	-34.6	176.2	-68.1	174.5	0	0	0	112.9	E27 I28 L34 V65 R68 N211	E27-L31 HydrophobicContact CG-CD1 4.1Å; E27-L31 WeakPolarHBondContact O-CG 3.47Å; E27-L31 PolarHBondContact O-N 2.85Å; I28-L31 PolarHBondContact O-N 2.95Å; L31-L34 HydrophobicContact CD2-CD1 4.08Å; L31-L34 WeakPolarHBondContact O-CB 3.42Å; L31-V65 HydrophobicContact CB-CB 4.49Å; L31-V65 HydrophobicContact CB-CG1 4.27Å; L31-V65 HydrophobicContact CB-CG2 4.04Å; L31-V65 HydrophobicContact CD1-CG1 3.89Å; L31-R68 HydrophobicContact CD1-CB 4.31Å; L31-R68 HydrophobicContact CD2-CB 3.66Å; L31-R68 HydrophobicContact CD2-CG 4.41Å; L31-N211 HydrophobicContact CD2-CB 4.09Å; L31-N211 HydrophobicContact CG-CB 4.43Å
32	L	92.1	Very high	84.2	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.016	26%	0.257	C	S	.	.	H	α-helix	trans	-74.1	-38	173.1	-69.1	168.7	0	0	0	111.8	I28 K29 L34 R35 F39 L57 D61 V65	I28-L32 HydrophobicContact CG2-CD1 4.02Å; I28-L32 WeakPolarHBondContact O-CG 3.44Å; I28-L32 PolarHBondContact O-N 2.97Å; K29-L32 PolarHBondContact O-N 2.99Å; L32-L34 VanDerWaalsContact C-N 3.26Å; L32-L34 PolarHBondContact O-N 2.73Å; L32-R35 PolarHBondContact O-N 2.87Å; L32-R35 VanDerWaalsContact O-N 3.08Å; L32-F39 HydrophobicContact CB-CB 3.97Å; L32-F39 HydrophobicContact CD1-CB 3.6Å; L32-F39 HydrophobicContact CD1-CD1 3.64Å; L32-F39 HydrophobicContact CD1-CD2 3.53Å; L32-F39 HydrophobicContact CD1-CE1 4.21Å; L32-F39 HydrophobicContact CD1-CE2 4.12Å; L32-F39 HydrophobicContact CD1-CG 3.27Å; L32-F39 HydrophobicContact CD1-CZ 4.44Å; L32-F39 HydrophobicContact CG-CB 4.41Å; L32-L57 HydrophobicContact CD1-CD2 4.26Å; L32-L57 HydrophobicContact CD2-CD2 3.87Å; L32-D61 HydrophobicContact CD2-CB 4.3Å; L32-V65 HydrophobicContact CD2-CG2 3.6Å; L32-V65 HydrophobicContact CG-CG2 3.85Å
33	A	91.1	Very high	82.6	Confident	32 Å²	32	49.3 Å²	49.3	26%	0.264	27%	0.271	S	S	.	.	H	α-helix	trans	-63.4	-29.9	175.3	0	0	0	0	0	112.9	K29 S30 R35 L36 K214	K29-A33 VanDerWaalsContact O-CB 3.31Å; K29-A33 WeakPolarHBondContact O-CB 3.26Å; K29-A33 PolarHBondContact O-N 3.41Å; S30-A33 PolarHBondContact O-N 2.87Å; A33-R35 PolarHBondContact O-N 3.27Å; A33-L36 PolarHBondContact O-N 2.72Å; A33-K214 HydrophobicContact CB-CD 4.45Å
34	L	88.7	Confident	81.1	Confident	44 Å²	44	56.8 Å²	56.8	23%	0.23	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-29	172.1	-94.6	171.7	0	0	0	113.2	S30 L31 L32 L36 K214 K216	S30-L34 PolarHBondContact O-N 3.06Å; L31-L34 HydrophobicContact CD2-CD1 4.08Å; L31-L34 WeakPolarHBondContact O-CB 3.42Å; L32-L34 VanDerWaalsContact C-N 3.26Å; L32-L34 PolarHBondContact O-N 2.73Å; L34-L36 VanDerWaalsContact C-N 3.34Å; L34-K214 HydrophobicContact CD1-CB 4.46Å; L34-K214 HydrophobicContact CD2-CB 3.59Å; L34-K214 HydrophobicContact CD2-CG 4.31Å; L34-K214 WeakPolarHBondContact CD2-O 3.44Å; L34-K214 HydrophobicContact CG-CB 3.78Å; L34-K214 HydrophobicContact CG-CG 4.02Å; L34-K216 HydrophobicContact CD2-CB 4.44Å; L34-K216 HydrophobicContact CD2-CD 4.25Å
35	R	82.3	Confident	80.4	Confident	101 Å²	101	58.7 Å²	58.7	38%	0.381	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	10.7	177	-70.3	-71.5	-60	-130.2	-0.8	113.3	L32 A33 K37 E60 T64	L32-R35 PolarHBondContact O-N 2.87Å; L32-R35 VanDerWaalsContact O-N 3.08Å; A33-R35 PolarHBondContact O-N 3.27Å; R35-K37 PolarHBondContact O-N 2.77Å; R35-E60 IonicContact CZ-OE1 3.73Å; R35-E60 VanDerWaalsContact CZ-OE1 3.26Å; R35-E60 IonicContact NH1-OE1 3.2Å; R35-E60 PolarHBondContact NH1-OE1 2.82Å; R35-E60 IonicContact NH2-OE1 3.47Å; R35-E60 PolarHBondContact NH2-OE1 2.81Å; R35-E60 IonicContact NH2-OE2 3.69Å; R35-T64 HydrophobicContact CG-CG2 4.01Å
36	L	78.9	Confident	80	Confident	163 Å²	163	64.5 Å²	64.5	85%	0.853	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	28.1	-174.9	-56.4	175.9	0	0	0	113.3	A33 L34	A33-L36 PolarHBondContact O-N 2.72Å; L34-L36 VanDerWaalsContact C-N 3.34Å
37	K	69.6	Low	79.5	Confident	82 Å²	82	67.3 Å²	67.3	36%	0.357	36%	0.355	S	S	.	.			trans	-99.9	118	176.1	-76	-176.3	172.8	177	0	109.6	R35 F39 D61	R35-K37 PolarHBondContact O-N 2.77Å; K37-F39 PolarHBondContact O-N 2.64Å; K37-F39 VanDerWaalsContact O-N 3.17Å; K37-D61 WeakPolarHBondContact CD-OD1 3.29Å; K37-D61 WeakPolarHBondContact CE-OD1 3.47Å; K37-D61 IonicContact NZ-OD1 3.37Å; K37-D61 PolarHBondContact NZ-OD1 3.33Å; K37-D61 IonicContact NZ-OD2 2.87Å; K37-D61 PolarHBondContact NZ-OD2 2.82Å
38	P	64.9	Low	79	Confident	113 Å²	113	72.1 Å²	72.1	73%	0.734	38%	0.378	S	S	*	.			trans	-66.6	117.5	172.2	26.7	-31	0	0	0	108.4
39	F	69.4	Low	78.8	Confident	31 Å²	31	73 Å²	73	14%	0.136	38%	0.384	C	S	.	.			trans	-106.9	116.5	176.6	176.9	-106.1	0	0	0	110.2	K29 L32 K37 P41 W52 L54 L57	K29-F39 HydrophobicContact CG-CD1 4.07Å; L32-F39 HydrophobicContact CB-CB 3.97Å; L32-F39 HydrophobicContact CD1-CB 3.6Å; L32-F39 HydrophobicContact CD1-CD1 3.64Å; L32-F39 HydrophobicContact CD1-CD2 3.53Å; L32-F39 HydrophobicContact CD1-CE1 4.21Å; L32-F39 HydrophobicContact CD1-CE2 4.12Å; L32-F39 HydrophobicContact CD1-CG 3.27Å; L32-F39 HydrophobicContact CD1-CZ 4.44Å; L32-F39 HydrophobicContact CG-CB 4.41Å; K37-F39 PolarHBondContact O-N 2.64Å; K37-F39 VanDerWaalsContact O-N 3.17Å; F39-P41 HydrophobicContact CD1-CG 4.42Å; F39-P41 HydrophobicContact CE1-CB 4.2Å; F39-P41 HydrophobicContact CE1-CG 3.74Å; F39-P41 HydrophobicContact CZ-CB 4.25Å; F39-P41 HydrophobicContact CZ-CG 4.29Å; F39-W52 AromaticContact CE1-CH2 3.77Å; F39-W52 HydrophobicContact CE1-CH2 3.77Å; F39-W52 AromaticContact CE1-CZ2 3.86Å; F39-W52 HydrophobicContact CE1-CZ2 3.86Å; F39-W52 HydrophobicContact CZ-CH2 4.12Å; F39-W52 AromaticContact CZ-CZ2 3.89Å; F39-W52 HydrophobicContact CZ-CZ2 3.89Å; F39-L54 HydrophobicContact CE1-CD2 4.36Å; F39-L54 HydrophobicContact CE2-CD2 3.89Å; F39-L54 HydrophobicContact CZ-CD2 3.35Å; F39-L57 HydrophobicContact CD2-CD2 4.19Å; F39-L57 HydrophobicContact CE2-CD2 4.46Å
40	H	67.7	Low	78.7	Confident	156 Å²	156	68.8 Å²	68.8	72%	0.722	37%	0.366	S	S	*	.			trans	-109.6	115.8	168.7	-61.2	86.5	0	0	0	106.2	C42	H40-C42 PolarHBondContact O-N 3.02Å; H40-C42 VanDerWaalsContact O-N 3.15Å
41	P	63	Low	78.7	Confident	38 Å²	38	69.2 Å²	69.2	25%	0.247	37%	0.367	C	S	.	.			trans	-49.8	124.4	174.7	-22.8	30.2	0	0	0	109.8	L25 F39 G43 W52	L25-P41 HydrophobicContact CD1-CG 3.98Å; F39-P41 HydrophobicContact CD1-CG 4.42Å; F39-P41 HydrophobicContact CE1-CB 4.2Å; F39-P41 HydrophobicContact CE1-CG 3.74Å; F39-P41 HydrophobicContact CZ-CB 4.25Å; F39-P41 HydrophobicContact CZ-CG 4.29Å; P41-G43 PolarHBondContact O-N 3.39Å; P41-W52 HydrophobicContact CB-CZ2 4.09Å; P41-W52 HydrophobicContact CG-CZ2 4.3Å
42	C	54	Low	78.5	Confident	71 Å²	71	69.7 Å²	69.7	48%	0.48	37%	0.369	S	S	.	.	S	Bend	trans	-73.4	113.6	167.3	-167.6	0	0	0	0	107.1	H40 D55	H40-C42 PolarHBondContact O-N 3.02Å; H40-C42 VanDerWaalsContact O-N 3.15Å; C42-D55 HydrophobicContact CB-CB 4.03Å; C42-D55 WeakPolarHBondContact CB-OD2 3.16Å; C42-D55 PolarHBondContact SG-OD2 3.24Å
43	G	59.9	Low	78.5	Confident	55 Å²	55	71.2 Å²	71.2	57%	0.567	38%	0.379	S	S	*	.	S	Bend	trans	82.8	174.4	180	0	0	0	0	0	115.9	P41 F45	P41-G43 PolarHBondContact O-N 3.39Å; G43-F45 PolarHBondContact O-N 2.78Å; G43-F45 VanDerWaalsContact O-N 3.15Å
44	D	63.8	Low	78.4	Confident	159 Å²	159	69.7 Å²	69.7	85%	0.85	37%	0.367	S	S	*	.			trans	-71.5	104.5	-179.9	-64.1	-32.3	0	0	0	110.1	K46	D44-K46 PolarHBondContact O-N 2.96Å
45	F	80.2	Confident	78.3	Confident	39 Å²	39	69.4 Å²	69.4	17%	0.171	37%	0.366	C	S	.	.			trans	-55.7	113.2	169	170.9	-106.3	0	0	0	109.5	L16 R24 L25 G43 E47 W52	L16-F45 HydrophobicContact CD1-CE2 4.07Å; L16-F45 HydrophobicContact CD1-CZ 4.49Å; R24-F45 HydrophobicContact CB-CZ 4.4Å; L25-F45 HydrophobicContact CB-CD1 3.83Å; L25-F45 HydrophobicContact CB-CE1 3.6Å; L25-F45 HydrophobicContact CB-CE2 4.36Å; L25-F45 HydrophobicContact CB-CG 4.31Å; L25-F45 HydrophobicContact CB-CZ 3.88Å; L25-F45 HydrophobicContact CD1-CG 4.42Å; L25-F45 HydrophobicContact CD2-CB 4.37Å; L25-F45 HydrophobicContact CD2-CD1 3.76Å; L25-F45 HydrophobicContact CD2-CE1 4.33Å; L25-F45 HydrophobicContact CD2-CG 4.18Å; L25-F45 HydrophobicContact CG-CD1 4.29Å; G43-F45 PolarHBondContact O-N 2.78Å; G43-F45 VanDerWaalsContact O-N 3.15Å; F45-E47 HydrophobicContact CD1-CB 4.39Å; F45-E47 HydrophobicContact CE1-CB 3.95Å; F45-E47 HydrophobicContact CE1-CG 4.31Å; F45-E47 PolarHBondContact O-N 3.28Å; F45-W52 AromaticContact CD2-CD1 3.98Å; F45-W52 AromaticContact CD2-CD2 3.51Å; F45-W52 HydrophobicContact CD2-CD2 3.51Å; F45-W52 AromaticContact CD2-CE2 3.51Å; F45-W52 AromaticContact CD2-CE3 3.95Å; F45-W52 HydrophobicContact CD2-CE3 3.95Å; F45-W52 AromaticContact CD2-CG 3.83Å; F45-W52 HydrophobicContact CD2-CG 3.83Å; F45-W52 HydrophobicContact CD2-CH2 4.39Å; F45-W52 AromaticContact CD2-CZ2 3.97Å; F45-W52 HydrophobicContact CD2-CZ2 3.97Å; F45-W52 HydrophobicContact CD2-CZ3 4.36Å; F45-W52 AromaticContact CD2-NE1 3.81Å; F45-W52 AromaticContact CE2-CD2 3.74Å; F45-W52 HydrophobicContact CE2-CD2 3.74Å; F45-W52 AromaticContact CE2-CE3 3.77Å; F45-W52 HydrophobicContact CE2-CE3 3.77Å; F45-W52 HydrophobicContact CE2-CG 4.09Å; F45-W52 HydrophobicContact CE2-CZ3 4.26Å
46	K	85.2	Confident	78.3	Confident	155 Å²	155	69.7 Å²	69.7	67%	0.674	38%	0.382	S	S	*	.			trans	-85.8	97.4	178	-65.8	-177.4	-176.7	177.6	0	109.6	D44 Q48 S49	D44-K46 PolarHBondContact O-N 2.96Å; K46-Q48 PolarHBondContact O-N 2.99Å; K46-S49 WeakPolarHBondContact O-CB 3.32Å; K46-S49 PolarHBondContact O-N 3.15Å
47	E	83.9	Confident	78.7	Confident	78 Å²	78	62.8 Å²	62.8	36%	0.364	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-22	-175.7	-176.6	171.5	-141.1	0	0	115.1	L21 D22 R24 F45	L21-E47 HydrophobicContact CB-CG 4.12Å; D22-E47 VanDerWaalsContact CA-OE1 3.28Å; D22-E47 WeakPolarHBondContact CA-OE1 3.21Å; R24-E47 VanDerWaalsContact NH2-C 3.33Å; R24-E47 PolarHBondContact NH2-O 2.88Å; F45-E47 HydrophobicContact CD1-CB 4.39Å; F45-E47 HydrophobicContact CE1-CB 3.95Å; F45-E47 HydrophobicContact CE1-CG 4.31Å; F45-E47 PolarHBondContact O-N 3.28Å
48	Q	86.5	Confident	79.7	Confident	102 Å²	102	60.9 Å²	60.9	48%	0.477	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-15.5	175.7	-62.6	-58.1	-36	0	0	113.1	L21 K46 T159	L21-Q48 VanDerWaalsContact CD1-OE1 3.24Å; K46-Q48 PolarHBondContact O-N 2.99Å; Q48-T159 WeakPolarHBondContact O-CG2 3.38Å
49	S	89.7	Confident	81	Confident	19 Å²	19	58.9 Å²	58.9	13%	0.133	32%	0.323	C	S	.	.			trans	-75	137.7	-179.4	-171.4	0	0	0	0	110.8	R24 K46 F51	R24-S49 PolarHBondContact NH1-O 3.43Å; R24-S49 PolarHBondContact NH2-O 2.99Å; K46-S49 WeakPolarHBondContact O-CB 3.32Å; K46-S49 PolarHBondContact O-N 3.15Å; S49-F51 PolarHBondContact OG-N 3.2Å; S49-F51 PolarHBondContact OG-O 3.39Å; S49-F51 VanDerWaalsContact OG-O 3.09Å
50	P	92.1	Very high	82.1	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.341	C	S	.	.	S	Bend	trans	-78	-9.5	169.9	36.3	-40.1	0	0	0	112.2	H15 L16 F117	H15-P50 CarbonylContact C-O 3.52Å; H15-P50 WeakPolarHBondContact CA-O 3.42Å; L16-P50 PolarHBondContact N-O 3.23Å; P50-F117 HydrophobicContact CB-CD1 4.45Å; P50-F117 HydrophobicContact CB-CD2 3.74Å; P50-F117 HydrophobicContact CB-CE1 4.49Å; P50-F117 HydrophobicContact CB-CE2 3.83Å; P50-F117 HydrophobicContact CB-CG 4.07Å; P50-F117 HydrophobicContact CB-CZ 4.21Å; P50-F117 HydrophobicContact CG-CB 4.05Å; P50-F117 HydrophobicContact CG-CD1 3.62Å; P50-F117 HydrophobicContact CG-CD2 3.75Å; P50-F117 HydrophobicContact CG-CE1 3.9Å; P50-F117 HydrophobicContact CG-CE2 4.06Å; P50-F117 HydrophobicContact CG-CG 3.53Å; P50-F117 HydrophobicContact CG-CZ 4.12Å
51	F	93.7	Very high	83.3	Confident	11 Å²	11	55.4 Å²	55.4	5%	0.048	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	130	-175.6	-62.5	-61.1	0	0	0	110.2	L13 F14 H15 S49 F117 L154 D156 Y172	L13-F51 HydrophobicContact CD1-CB 4.05Å; L13-F51 HydrophobicContact CD2-CD1 4.29Å; F14-F51 WeakPolarHBondContact O-CA 3.35Å; H15-F51 HydrophobicContact CB-CD1 4.12Å; H15-F51 HydrophobicContact CB-CE1 3.94Å; H15-F51 AromaticContact CD2-CE1 3.66Å; H15-F51 AromaticContact CG-CE1 3.78Å; S49-F51 PolarHBondContact OG-N 3.2Å; S49-F51 PolarHBondContact OG-O 3.39Å; S49-F51 VanDerWaalsContact OG-O 3.09Å; F51-F117 HydrophobicContact CE2-CB 4.07Å; F51-F117 HydrophobicContact CZ-CB 4.33Å; F51-L154 HydrophobicContact CD1-CD2 4.33Å; F51-L154 HydrophobicContact CE1-CB 3.98Å; F51-L154 HydrophobicContact CE1-CD2 3.52Å; F51-L154 HydrophobicContact CE1-CG 4.39Å; F51-L154 HydrophobicContact CZ-CB 3.98Å; F51-L154 HydrophobicContact CZ-CD2 4.2Å; F51-D156 HydrophobicContact CD2-CB 3.91Å; F51-D156 HydrophobicContact CE2-CB 3.82Å; F51-Y172 HydrophobicContact CB-CE2 3.94Å; F51-Y172 HydrophobicContact CD2-CD2 4.24Å; F51-Y172 AromaticContact CD2-CE2 3.69Å; F51-Y172 HydrophobicContact CD2-CE2 3.69Å; F51-Y172 HydrophobicContact CE2-CE2 4.43Å; F51-Y172 HydrophobicContact CG-CD2 4.3Å; F51-Y172 AromaticContact CG-CE2 3.87Å; F51-Y172 HydrophobicContact CG-CE2 3.87Å
52	W	92.4	Very high	84.8	Confident	12 Å²	12	53.6 Å²	53.6	5%	0.045	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	114.5	-180	-174.7	17.7	0	0	0	110.7	F14 L16 L25 I28 F39 P41 F45 L54	F14-W52 HydrophobicContact CB-CB 4.44Å; F14-W52 PolarHBondContact N-O 3.16Å; F14-W52 PolarHBondContact O-N 2.88Å; L16-W52 HydrophobicContact CD1-CB 4.06Å; L16-W52 HydrophobicContact CD1-CE3 4.22Å; L25-W52 HydrophobicContact CD1-CH2 3.29Å; L25-W52 HydrophobicContact CD1-CZ2 3.72Å; L25-W52 HydrophobicContact CD1-CZ3 4.13Å; I28-W52 HydrophobicContact CB-CH2 4.44Å; I28-W52 HydrophobicContact CB-CZ3 3.89Å; I28-W52 HydrophobicContact CG1-CZ3 4.05Å; I28-W52 HydrophobicContact CG2-CH2 4.16Å; I28-W52 HydrophobicContact CG2-CZ3 3.8Å; F39-W52 AromaticContact CE1-CH2 3.77Å; F39-W52 HydrophobicContact CE1-CH2 3.77Å; F39-W52 AromaticContact CE1-CZ2 3.86Å; F39-W52 HydrophobicContact CE1-CZ2 3.86Å; F39-W52 HydrophobicContact CZ-CH2 4.12Å; F39-W52 AromaticContact CZ-CZ2 3.89Å; F39-W52 HydrophobicContact CZ-CZ2 3.89Å; P41-W52 HydrophobicContact CB-CZ2 4.09Å; P41-W52 HydrophobicContact CG-CZ2 4.3Å; F45-W52 AromaticContact CD2-CD1 3.98Å; F45-W52 AromaticContact CD2-CD2 3.51Å; F45-W52 HydrophobicContact CD2-CD2 3.51Å; F45-W52 AromaticContact CD2-CE2 3.51Å; F45-W52 AromaticContact CD2-CE3 3.95Å; F45-W52 HydrophobicContact CD2-CE3 3.95Å; F45-W52 AromaticContact CD2-CG 3.83Å; F45-W52 HydrophobicContact CD2-CG 3.83Å; F45-W52 HydrophobicContact CD2-CH2 4.39Å; F45-W52 AromaticContact CD2-CZ2 3.97Å; F45-W52 HydrophobicContact CD2-CZ2 3.97Å; F45-W52 HydrophobicContact CD2-CZ3 4.36Å; F45-W52 AromaticContact CD2-NE1 3.81Å; F45-W52 AromaticContact CE2-CD2 3.74Å; F45-W52 HydrophobicContact CE2-CD2 3.74Å; F45-W52 AromaticContact CE2-CE3 3.77Å; F45-W52 HydrophobicContact CE2-CE3 3.77Å; F45-W52 HydrophobicContact CE2-CG 4.09Å; F45-W52 HydrophobicContact CE2-CZ3 4.26Å; W52-L54 HydrophobicContact CD2-CD2 3.8Å; W52-L54 HydrophobicContact CD2-CG 4.2Å; W52-L54 HydrophobicContact CE3-CD1 4.47Å; W52-L54 HydrophobicContact CE3-CD2 4.29Å; W52-L54 HydrophobicContact CG-CD2 4.34Å; W52-L54 HydrophobicContact CG-CG 4.43Å; W52-L54 HydrophobicContact CH2-CD2 3.98Å; W52-L54 HydrophobicContact CZ2-CD2 3.46Å; W52-L54 VanDerWaalsContact CZ2-CD2 3.46Å; W52-L54 HydrophobicContact CZ3-CD2 4.38Å
53	C	91.6	Very high	86.8	Confident	34 Å²	34	52.5 Å²	52.5	23%	0.23	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	133.4	172.3	-61.1	0	0	0	0	110.2	Q11 Y12	Q11-C53 HydrophobicContact CG-CB 4.46Å; Y12-C53 CarbonylContact O-C 3.38Å; Y12-C53 WeakPolarHBondContact O-CA 3.39Å
54	L	88.6	Confident	88.4	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	124	-177.7	-69.2	176.6	0	0	0	109.3	Y12 F14 F39 W52 L57	Y12-L54 PolarHBondContact N-O 2.85Å; Y12-L54 PolarHBondContact O-N 3.39Å; F14-L54 HydrophobicContact CD1-CD1 3.63Å; F14-L54 HydrophobicContact CD2-CD1 4.02Å; F14-L54 HydrophobicContact CE1-CD1 3.67Å; F14-L54 HydrophobicContact CE2-CD1 4.05Å; F14-L54 HydrophobicContact CG-CD1 3.82Å; F14-L54 HydrophobicContact CZ-CD1 3.88Å; F39-L54 HydrophobicContact CE1-CD2 4.36Å; F39-L54 HydrophobicContact CE2-CD2 3.89Å; F39-L54 HydrophobicContact CZ-CD2 3.35Å; W52-L54 HydrophobicContact CD2-CD2 3.8Å; W52-L54 HydrophobicContact CD2-CG 4.2Å; W52-L54 HydrophobicContact CE3-CD1 4.47Å; W52-L54 HydrophobicContact CE3-CD2 4.29Å; W52-L54 HydrophobicContact CG-CD2 4.34Å; W52-L54 HydrophobicContact CG-CG 4.43Å; W52-L54 HydrophobicContact CH2-CD2 3.98Å; W52-L54 HydrophobicContact CZ2-CD2 3.46Å; W52-L54 VanDerWaalsContact CZ2-CD2 3.46Å; W52-L54 HydrophobicContact CZ3-CD2 4.38Å; L54-L57 HydrophobicContact CB-CD1 3.88Å; L54-L57 HydrophobicContact CD1-CD1 3.81Å; L54-L57 HydrophobicContact CG-CD1 4.4Å
55	D	85.9	Confident	89.9	Confident	39 Å²	39	44.4 Å²	44.4	21%	0.209	24%	0.235	C	C	.	.			trans	-102.1	171.2	171.6	-52.8	-45.9	0	0	0	109.8	Q11 C42 L57	Q11-D55 VanDerWaalsContact CG-OD1 3.25Å; Q11-D55 WeakPolarHBondContact CG-OD1 3.3Å; Q11-D55 PolarHBondContact NE2-OD1 2.78Å; C42-D55 HydrophobicContact CB-CB 4.03Å; C42-D55 WeakPolarHBondContact CB-OD2 3.16Å; C42-D55 PolarHBondContact SG-OD2 3.24Å; D55-L57 PolarHBondContact O-N 3.27Å
56	C	82.5	Confident	90.7	Very high	107 Å²	107	42.6 Å²	42.6	72%	0.723	23%	0.226	S	C	*	.	S	Bend	trans	63.8	20.3	173.9	-58.2	0	0	0	0	115.4	C9	C9-C56 WeakPolarHBondContact SG-CA 3.36Å; C9-C56 PolarHBondContact SG-N 2.92Å
57	L	87.3	Confident	91.3	Very high	17 Å²	17	37.8 Å²	37.8	9%	0.089	22%	0.216	C	C	.	.			trans	-106.1	152.8	173.5	-61.9	-177.4	0	0	0	111.4	Y12 L32 F39 L54 D55 D61 V62	Y12-L57 HydrophobicContact CD2-CB 4.09Å; Y12-L57 HydrophobicContact CE2-CB 4.31Å; Y12-L57 VanDerWaalsContact CE2-O 3.27Å; Y12-L57 WeakPolarHBondContact CE2-O 3.01Å; L32-L57 HydrophobicContact CD1-CD2 4.26Å; L32-L57 HydrophobicContact CD2-CD2 3.87Å; F39-L57 HydrophobicContact CD2-CD2 4.19Å; F39-L57 HydrophobicContact CE2-CD2 4.46Å; L54-L57 HydrophobicContact CB-CD1 3.88Å; L54-L57 HydrophobicContact CD1-CD1 3.81Å; L54-L57 HydrophobicContact CG-CD1 4.4Å; D55-L57 PolarHBondContact O-N 3.27Å; L57-D61 HydrophobicContact CB-CB 4.33Å; L57-D61 HydrophobicContact CD2-CB 4.23Å; L57-V62 HydrophobicContact CB-CG2 4.31Å; L57-V62 HydrophobicContact CD1-CG2 4.26Å
58	S	90.5	Very high	91.9	Very high	43 Å²	43	35.7 Å²	35.7	30%	0.301	21%	0.205	S	C	.	.			trans	-93.4	161.5	164.2	65.7	0	0	0	0	110.8	E60 D61 V62	S58-E60 PolarHBondContact O-N 3.35Å; S58-D61 WeakPolarHBondContact CB-OD2 3.32Å; S58-D61 PolarHBondContact N-OD2 3.3Å; S58-D61 WeakPolarHBondContact O-CB 3.46Å; S58-D61 PolarHBondContact O-N 2.91Å; S58-D61 PolarHBondContact OG-N 2.76Å; S58-D61 PolarHBondContact OG-OD2 3.14Å; S58-V62 PolarHBondContact O-N 3.48Å; S58-V62 VanDerWaalsContact O-N 3.15Å
59	E	93	Very high	92.4	Very high	70 Å²	70	30.9 Å²	30.9	33%	0.327	18%	0.182	S	C	.	.	H	α-helix	trans	-59.3	-34.6	175.3	-171.5	169.3	142.2	0	0	110.8	Y12 D61 V62 C63 R175 I177	Y12-E59 HydrophobicContact CE1-CB 4.42Å; Y12-E59 WeakPolarHBondContact OH-CA 3.39Å; Y12-E59 PolarHBondContact OH-N 3.2Å; E59-D61 PolarHBondContact O-N 2.91Å; E59-V62 PolarHBondContact O-N 2.88Å; E59-C63 WeakPolarHBondContact O-CB 3.41Å; E59-C63 PolarHBondContact O-N 3.15Å; E59-C63 PolarHBondContact O-SG 3.27Å; E59-C63 VanDerWaalsContact O-SG 3.35Å; E59-R175 IonicContact OE1-NH1 3.58Å; E59-R175 IonicContact OE1-NH2 3.2Å; E59-R175 IonicContact OE2-CZ 3.56Å; E59-R175 IonicContact OE2-NH1 2.75Å; E59-R175 IonicContact OE2-NH2 3.97Å; E59-R175 PolarHBondContact OE2-NH2 3.45Å; E59-I177 HydrophobicContact CG-CD1 4.21Å; E59-I177 HydrophobicContact CG-CG2 3.84Å
60	E	92.9	Very high	92.8	Very high	110 Å²	110	30 Å²	30	51%	0.514	18%	0.176	S	C	.	.	H	α-helix	trans	-62	-39.9	174.2	-166.9	-165.5	158.5	0	0	112.5	R35 S58 V62 C63 T64	R35-E60 IonicContact CZ-OE1 3.73Å; R35-E60 VanDerWaalsContact CZ-OE1 3.26Å; R35-E60 IonicContact NH1-OE1 3.2Å; R35-E60 PolarHBondContact NH1-OE1 2.82Å; R35-E60 IonicContact NH2-OE1 3.47Å; R35-E60 PolarHBondContact NH2-OE1 2.81Å; R35-E60 IonicContact NH2-OE2 3.69Å; S58-E60 PolarHBondContact O-N 3.35Å; E60-V62 VanDerWaalsContact C-N 3.35Å; E60-C63 PolarHBondContact O-N 3.28Å; E60-T64 WeakPolarHBondContact O-CB 3.36Å; E60-T64 PolarHBondContact O-N 3.46Å; E60-T64 PolarHBondContact O-OG1 2.97Å
61	D	92.3	Very high	93	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-64.1	-44.1	176.7	-63.3	-46	0	0	0	110.6	L32 K37 L57 S58 E59 T64 V65	L32-D61 HydrophobicContact CD2-CB 4.3Å; K37-D61 WeakPolarHBondContact CD-OD1 3.29Å; K37-D61 WeakPolarHBondContact CE-OD1 3.47Å; K37-D61 IonicContact NZ-OD1 3.37Å; K37-D61 PolarHBondContact NZ-OD1 3.33Å; K37-D61 IonicContact NZ-OD2 2.87Å; K37-D61 PolarHBondContact NZ-OD2 2.82Å; L57-D61 HydrophobicContact CB-CB 4.33Å; L57-D61 HydrophobicContact CD2-CB 4.23Å; S58-D61 WeakPolarHBondContact CB-OD2 3.32Å; S58-D61 PolarHBondContact N-OD2 3.3Å; S58-D61 WeakPolarHBondContact O-CB 3.46Å; S58-D61 PolarHBondContact O-N 2.91Å; S58-D61 PolarHBondContact OG-N 2.76Å; S58-D61 PolarHBondContact OG-OD2 3.14Å; E59-D61 PolarHBondContact O-N 2.91Å; D61-T64 PolarHBondContact O-N 2.93Å; D61-V65 VanDerWaalsContact O-CG2 3.3Å; D61-V65 WeakPolarHBondContact O-CG2 3.44Å; D61-V65 PolarHBondContact O-N 2.89Å
62	V	94.6	Very high	93.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.2	-51.9	176.8	175	0	0	0	0	110.5	Y12 F14 L57 S58 E59 E60 T64 V65 M66 A75 I177	Y12-V62 HydrophobicContact CD1-CB 4.44Å; Y12-V62 HydrophobicContact CD1-CG1 4.5Å; Y12-V62 HydrophobicContact CD1-CG2 3.68Å; Y12-V62 HydrophobicContact CD2-CG2 3.91Å; Y12-V62 HydrophobicContact CE1-CG2 4.06Å; Y12-V62 HydrophobicContact CE2-CG2 4.29Å; Y12-V62 HydrophobicContact CG-CG2 3.59Å; F14-V62 HydrophobicContact CE1-CB 4.37Å; F14-V62 HydrophobicContact CE1-CG1 3.77Å; F14-V62 HydrophobicContact CE1-CG2 3.94Å; F14-V62 HydrophobicContact CZ-CB 4.45Å; F14-V62 HydrophobicContact CZ-CG1 4.01Å; F14-V62 HydrophobicContact CZ-CG2 4.27Å; L57-V62 HydrophobicContact CB-CG2 4.31Å; L57-V62 HydrophobicContact CD1-CG2 4.26Å; S58-V62 PolarHBondContact O-N 3.48Å; S58-V62 VanDerWaalsContact O-N 3.15Å; E59-V62 PolarHBondContact O-N 2.88Å; E60-V62 VanDerWaalsContact C-N 3.35Å; V62-T64 VanDerWaalsContact C-N 3.27Å; V62-T64 PolarHBondContact O-N 2.82Å; V62-V65 PolarHBondContact O-N 3.07Å; V62-M66 HydrophobicContact CG1-CG 4.14Å; V62-M66 WeakPolarHBondContact O-CB 3.34Å; V62-M66 VanDerWaalsContact O-CG 3.24Å; V62-M66 WeakPolarHBondContact O-CG 3.36Å; V62-M66 PolarHBondContact O-N 3.15Å; V62-A75 HydrophobicContact CG1-CB 3.38Å; V62-I177 HydrophobicContact CG1-CB 4.39Å; V62-I177 HydrophobicContact CG1-CG2 3.98Å
63	C	96.1	Very high	93.3	Very high	49 Å²	49	32.5 Å²	32.5	33%	0.331	19%	0.187	S	C	.	.	H	α-helix	trans	-56.1	-42.2	177.1	-73	0	0	0	0	112	E59 E60 M66 A67 I177	E59-C63 WeakPolarHBondContact O-CB 3.41Å; E59-C63 PolarHBondContact O-N 3.15Å; E59-C63 PolarHBondContact O-SG 3.27Å; E59-C63 VanDerWaalsContact O-SG 3.35Å; E60-C63 PolarHBondContact O-N 3.28Å; C63-M66 PolarHBondContact O-N 3.04Å; C63-A67 VanDerWaalsContact O-CB 3.28Å; C63-A67 WeakPolarHBondContact O-CB 3.33Å; C63-A67 PolarHBondContact O-N 2.94Å; C63-I177 VanDerWaalsContact SG-CG2 3.53Å
64	T	93.9	Very high	93.5	Very high	42 Å²	42	31.3 Å²	31.3	26%	0.258	18%	0.18	S	C	.	.	H	α-helix	trans	-64.1	-43.7	178.7	-59.2	0	0	0	0	111.9	R35 E60 D61 V62	R35-T64 HydrophobicContact CG-CG2 4.01Å; E60-T64 WeakPolarHBondContact O-CB 3.36Å; E60-T64 PolarHBondContact O-N 3.46Å; E60-T64 PolarHBondContact O-OG1 2.97Å; D61-T64 PolarHBondContact O-N 2.93Å; V62-T64 VanDerWaalsContact C-N 3.27Å; V62-T64 PolarHBondContact O-N 2.82Å
65	V	95.6	Very high	94	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.012	18%	0.18	C	C	.	.	H	α-helix	trans	-65.5	-46	177.1	172.8	0	0	0	0	110.6	F14 I28 L31 L32 D61 V62 A67 R68 S69	F14-V65 HydrophobicContact CE2-CB 4.42Å; F14-V65 HydrophobicContact CE2-CG1 3.73Å; F14-V65 HydrophobicContact CZ-CB 4.47Å; F14-V65 HydrophobicContact CZ-CG1 4.25Å; I28-V65 HydrophobicContact CD1-CG1 3.37Å; I28-V65 HydrophobicContact CG2-CG1 4.37Å; L31-V65 HydrophobicContact CB-CB 4.49Å; L31-V65 HydrophobicContact CB-CG1 4.27Å; L31-V65 HydrophobicContact CB-CG2 4.04Å; L31-V65 HydrophobicContact CD1-CG1 3.89Å; L32-V65 HydrophobicContact CD2-CG2 3.6Å; L32-V65 HydrophobicContact CG-CG2 3.85Å; D61-V65 VanDerWaalsContact O-CG2 3.3Å; D61-V65 WeakPolarHBondContact O-CG2 3.44Å; D61-V65 PolarHBondContact O-N 2.89Å; V62-V65 PolarHBondContact O-N 3.07Å; V65-A67 VanDerWaalsContact C-N 3.3Å; V65-A67 PolarHBondContact O-N 3.27Å; V65-R68 PolarHBondContact O-N 2.94Å; V65-R68 VanDerWaalsContact O-N 3.15Å; V65-S69 WeakPolarHBondContact O-CB 3.33Å; V65-S69 PolarHBondContact O-N 3.19Å
66	M	97.4	Very high	94.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-67.5	-29.5	-178.9	-64.1	-49.8	-61	0	0	112.8	F14 V62 C63 R68 A72 A75 A178 G180	F14-M66 HydrophobicContact CD2-SD 4.16Å; F14-M66 HydrophobicContact CE2-SD 3.82Å; F14-M66 HydrophobicContact CZ-SD 4.16Å; V62-M66 HydrophobicContact CG1-CG 4.14Å; V62-M66 WeakPolarHBondContact O-CB 3.34Å; V62-M66 VanDerWaalsContact O-CG 3.24Å; V62-M66 WeakPolarHBondContact O-CG 3.36Å; V62-M66 PolarHBondContact O-N 3.15Å; C63-M66 PolarHBondContact O-N 3.04Å; M66-R68 PolarHBondContact O-N 2.85Å; M66-A72 HydrophobicContact CE-CB 3.56Å; M66-A72 HydrophobicContact SD-CB 3.6Å; M66-A72 VanDerWaalsContact SD-CB 3.6Å; M66-A75 HydrophobicContact CE-CB 4.31Å; M66-A75 HydrophobicContact CG-CB 3.6Å; M66-A75 HydrophobicContact SD-CB 3.72Å; M66-A178 HydrophobicContact CB-CB 3.68Å; M66-A178 HydrophobicContact CG-CB 4.09Å; M66-G180 VanDerWaalsContact CE-CA 3.49Å; M66-G180 WeakPolarHBondContact O-CA 3.15Å
67	A	96.8	Very high	95.2	Very high	55 Å²	55	24.6 Å²	24.6	46%	0.455	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-6.6	173.8	0	0	0	0	0	114.1	C63 V65 Q181	C63-A67 VanDerWaalsContact O-CB 3.28Å; C63-A67 WeakPolarHBondContact O-CB 3.33Å; C63-A67 PolarHBondContact O-N 2.94Å; V65-A67 VanDerWaalsContact C-N 3.3Å; V65-A67 PolarHBondContact O-N 3.27Å; A67-Q181 WeakPolarHBondContact O-CG 3.36Å
68	R	96.3	Very high	95.6	Very high	34 Å²	34	24 Å²	24	13%	0.128	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.8	-28.8	-177.8	-64	-174.7	58.6	124.7	-1.2	115.4	L31 V65 M66 V70 N211 A215 F238	L31-R68 HydrophobicContact CD1-CB 4.31Å; L31-R68 HydrophobicContact CD2-CB 3.66Å; L31-R68 HydrophobicContact CD2-CG 4.41Å; V65-R68 PolarHBondContact O-N 2.94Å; V65-R68 VanDerWaalsContact O-N 3.15Å; M66-R68 PolarHBondContact O-N 2.85Å; R68-V70 PolarHBondContact O-N 3.09Å; R68-N211 PolarHBondContact NE-OD1 3.38Å; R68-N211 PolarHBondContact NH2-OD1 2.85Å; R68-N211 PolarHBondContact O-ND2 3.17Å; R68-A215 VanDerWaalsContact CZ-O 3.28Å; R68-A215 PolarHBondContact NH1-O 3.11Å; R68-A215 PolarHBondContact NH2-O 2.75Å; R68-F238 HydrophobicContact CB-CE1 4.06Å; R68-F238 HydrophobicContact CB-CZ 4.26Å; R68-F238 HydrophobicContact CG-CD1 4.33Å; R68-F238 HydrophobicContact CG-CE1 3.85Å; R68-F238 VanDerWaalsContact CZ-CD1 3.45Å; R68-F238 VanDerWaalsContact CZ-CG 3.42Å
69	S	97.4	Very high	95.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.12	C	C	.	.			trans	-65.1	132	-174	178.3	0	0	0	0	111	E27 V65 C71 A72 Q181	E27-S69 PolarHBondContact OE2-OG 2.64Å; V65-S69 WeakPolarHBondContact O-CB 3.33Å; V65-S69 PolarHBondContact O-N 3.19Å; S69-C71 PolarHBondContact OG-N 2.76Å; S69-A72 WeakPolarHBondContact OG-CB 3.46Å; S69-A72 PolarHBondContact OG-N 2.98Å; S69-Q181 PolarHBondContact O-N 3.42Å
70	V	97.1	Very high	96	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.012	11%	0.105	C	C	.	.	S	Bend	trans	-103.3	-12.6	170	-60.5	0	0	0	0	111.9	E27 R68 Q181 R182 I185 F207 I208	E27-V70 WeakPolarHBondContact OE1-CG2 3.3Å; E27-V70 PolarHBondContact OE1-N 3.45Å; E27-V70 VanDerWaalsContact OE1-N 3.1Å; E27-V70 PolarHBondContact OE2-N 2.89Å; R68-V70 PolarHBondContact O-N 3.09Å; V70-Q181 HydrophobicContact CG1-CB 4.38Å; V70-R182 VanDerWaalsContact O-CG 3.31Å; V70-R182 WeakPolarHBondContact O-CG 3.44Å; V70-R182 PolarHBondContact O-NH1 3.2Å; V70-I185 HydrophobicContact CB-CD1 4.46Å; V70-F207 HydrophobicContact CG1-CB 3.84Å; V70-F207 HydrophobicContact CG1-CG 4.37Å; V70-F207 HydrophobicContact CG2-CB 4.08Å; V70-I208 HydrophobicContact CG2-CD1 4.24Å; V70-I208 HydrophobicContact CG2-CG1 3.45Å; V70-I208 VanDerWaalsContact CG2-CG1 3.45Å
71	C	96.6	Very high	96.2	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.014	9%	0.092	C	C	.	.	S	Bend	trans	-80	-28.7	170.1	-67.1	0	0	0	0	113.1	A17 R24 E27 S69	A17-C71 WeakPolarHBondContact CB-O 3.45Å; A17-C71 PolarHBondContact N-O 2.81Å; R24-C71 HydrophobicContact CB-CB 4.22Å; R24-C71 HydrophobicContact CG-CB 3.95Å; E27-C71 WeakPolarHBondContact OE2-CB 3.46Å; E27-C71 PolarHBondContact OE2-N 2.97Å; E27-C71 PolarHBondContact OE2-SG 3.33Å; S69-C71 PolarHBondContact OG-N 2.76Å
72	A	96.1	Very high	96.3	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	138.5	175.9	0	0	0	0	0	111.2	F14 L16 M66 S69 G180	F14-A72 HydrophobicContact CD2-CB 4.39Å; L16-A72 HydrophobicContact CD2-CB 4.06Å; M66-A72 HydrophobicContact CE-CB 3.56Å; M66-A72 HydrophobicContact SD-CB 3.6Å; M66-A72 VanDerWaalsContact SD-CB 3.6Å; S69-A72 WeakPolarHBondContact OG-CB 3.46Å; S69-A72 PolarHBondContact OG-N 2.98Å; A72-G180 WeakPolarHBondContact O-CA 3.16Å
73	K	96.4	Very high	96.4	Very high	72 Å²	72	21.9 Å²	21.9	31%	0.313	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-48	172.7	-69.8	167.3	170.7	164.3	0	110.8	H15 A17 D179 G180	H15-K73 VanDerWaalsContact CE1-CD 3.48Å; H15-K73 WeakPolarHBondContact CE1-CD 3.39Å; H15-K73 WeakPolarHBondContact NE2-CD 3.41Å; H15-K73 PolarHBondContact NE2-NZ 3.09Å; H15-K73 WeakPolarHBondContact O-CA 3.44Å; H15-K73 WeakPolarHBondContact O-CB 3.32Å; H15-K73 PolarHBondContact O-N 2.97Å; A17-K73 HydrophobicContact CB-CG 4.26Å; K73-D179 WeakPolarHBondContact O-CA 3.38Å; K73-G180 PolarHBondContact O-N 2.91Å
74	S	97.4	Very high	96.3	Very high	10 Å²	10	22.5 Å²	22.5	7%	0.07	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	156.9	-177.8	46.9	0	0	0	0	111.4	H15 F76 A178 D179	H15-S74 PolarHBondContact N-O 3.2Å; H15-S74 PolarHBondContact O-N 3.45Å; S74-F76 WeakPolarHBondContact OG-CE2 3.35Å; S74-F76 WeakPolarHBondContact OG-CZ 3.25Å; S74-A178 CarbonylContact C-O 3.48Å; S74-A178 WeakPolarHBondContact CA-O 3.47Å; S74-D179 WeakPolarHBondContact CB-OD1 3.48Å
75	A	97.6	Very high	96.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	148	175.3	0	0	0	0	0	111.6	L13 F14 V62 M66 I177 A178	L13-A75 CarbonylContact O-C 3.56Å; L13-A75 WeakPolarHBondContact O-CA 3.27Å; F14-A75 HydrophobicContact CD1-CB 3.86Å; F14-A75 HydrophobicContact CE1-CB 3.76Å; F14-A75 HydrophobicContact CG-CB 4.49Å; F14-A75 HydrophobicContact CZ-CB 4.32Å; V62-A75 HydrophobicContact CG1-CB 3.38Å; M66-A75 HydrophobicContact CE-CB 4.31Å; M66-A75 HydrophobicContact CG-CB 3.6Å; M66-A75 HydrophobicContact SD-CB 3.72Å; A75-I177 PolarHBondContact O-N 3.26Å; A75-A178 PolarHBondContact N-O 2.77Å
76	F	97.4	Very high	96.1	Very high	1 Å²	1	28.4 Å²	28.4	0%	0.004	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	143.3	-175.7	-50.6	-86.3	0	0	0	110.3	Y12 L13 H15 S74 L78 C152 L154 R175 W176	Y12-F76 CarbonylContact C-O 3.44Å; Y12-F76 WeakPolarHBondContact CA-O 3.05Å; L13-F76 HydrophobicContact CB-CB 4.32Å; L13-F76 HydrophobicContact CD2-CD2 4.4Å; L13-F76 PolarHBondContact N-O 3.06Å; L13-F76 WeakPolarHBondContact O-CD2 3.13Å; L13-F76 PolarHBondContact O-N 2.86Å; H15-F76 HydrophobicContact CB-CE2 3.96Å; S74-F76 WeakPolarHBondContact OG-CE2 3.35Å; S74-F76 WeakPolarHBondContact OG-CZ 3.25Å; F76-L78 PolarHBondContact O-N 3.44Å; F76-C152 HydrophobicContact CD1-CB 3.94Å; F76-C152 HydrophobicContact CE1-CB 3.59Å; F76-C152 WeakPolarHBondContact CE1-SG 3.45Å; F76-C152 HydrophobicContact CZ-CB 4.25Å; F76-L154 HydrophobicContact CD2-CD1 4.29Å; F76-L154 HydrophobicContact CD2-CD2 4.2Å; F76-L154 HydrophobicContact CE2-CD1 4.36Å; F76-L154 HydrophobicContact CE2-CD2 3.6Å; F76-L154 HydrophobicContact CG-CD1 4.45Å; F76-L154 HydrophobicContact CZ-CD2 3.95Å; F76-R175 CarbonylContact C-O 3.56Å; F76-R175 WeakPolarHBondContact CA-O 3.21Å; F76-W176 HydrophobicContact CD1-CB 4.02Å; F76-W176 HydrophobicContact CE1-CB 3.98Å; F76-W176 AromaticContact CE1-CD1 3.8Å; F76-W176 HydrophobicContact CE1-CG 4.31Å
77	E	96.3	Very high	96.1	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.019	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	118.4	157.5	175.6	-175.7	-159	0	0	107.3	L10 Y12 W79 Y95 G174 R175 I177	L10-E77 HydrophobicContact CD2-CG 4.5Å; L10-E77 VanDerWaalsContact CD2-OE1 3.26Å; L10-E77 WeakPolarHBondContact CD2-OE1 3.49Å; Y12-E77 HydrophobicContact CD1-CB 4.33Å; Y12-E77 HydrophobicContact CE1-CB 4.2Å; E77-W79 PolarHBondContact O-N 3.27Å; E77-W79 PolarHBondContact OE2-NE1 3.4Å; E77-Y95 PolarHBondContact OE1-OH 2.97Å; E77-G174 CarbonylContact O-C 3.57Å; E77-G174 WeakPolarHBondContact O-CA 3.36Å; E77-R175 HydrophobicContact CB-CB 4.4Å; E77-R175 PolarHBondContact N-O 3.3Å; E77-R175 PolarHBondContact O-N 3.44Å; E77-R175 IonicContact OE2-CZ 3.86Å; E77-R175 IonicContact OE2-NE 2.73Å; E77-R175 PolarHBondContact OE2-NE 3.15Å; E77-R175 IonicContact OE2-NH2 3.26Å; E77-R175 PolarHBondContact OE2-NH2 2.71Å; E77-I177 HydrophobicContact CB-CD1 3.94Å; E77-I177 HydrophobicContact CB-CG1 4.26Å
78	L	96.1	Very high	96	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.021	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	117.5	-174.6	-173.3	57.9	0	0	0	109.6	Q11 L13 F76 H81 Y95 Y172	Q11-L78 HydrophobicContact CB-CB 4.38Å; Q11-L78 HydrophobicContact CG-CB 4.31Å; Q11-L78 HydrophobicContact CG-CD2 4.03Å; Q11-L78 WeakPolarHBondContact O-CB 3.42Å; Q11-L78 PolarHBondContact O-N 3.4Å; L13-L78 HydrophobicContact CB-CB 4.32Å; L13-L78 HydrophobicContact CB-CD1 4.31Å; L13-L78 HydrophobicContact CB-CD2 4.48Å; L13-L78 HydrophobicContact CD2-CD1 4.38Å; F76-L78 PolarHBondContact O-N 3.44Å; L78-H81 HydrophobicContact CD1-CB 4.39Å; L78-Y95 WeakPolarHBondContact O-CE2 3.38Å; L78-Y172 HydrophobicContact CD1-CD1 4.1Å; L78-Y172 HydrophobicContact CD2-CD1 4.39Å
79	W	95.8	Very high	96	Very high	5 Å²	5	34 Å²	34	2%	0.019	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-37.8	178.9	-69.8	0.4	0	0	0	111.9	E77 L92 Y95 M100 Y103 M104 F138 F151 F173 R175	E77-W79 PolarHBondContact O-N 3.27Å; E77-W79 PolarHBondContact OE2-NE1 3.4Å; W79-L92 HydrophobicContact CB-CD2 3.7Å; W79-Y95 HydrophobicContact CB-CD2 4.29Å; W79-Y95 HydrophobicContact CB-CG 4.29Å; W79-Y95 AromaticContact CD1-CE1 3.84Å; W79-Y95 AromaticContact CD1-CE2 3.95Å; W79-Y95 AromaticContact CD1-CZ 3.58Å; W79-Y95 HydrophobicContact CG-CD1 4.41Å; W79-Y95 HydrophobicContact CG-CE1 4.24Å; W79-Y95 HydrophobicContact CG-CE2 4.49Å; W79-Y95 WeakPolarHBondContact O-CB 3.28Å; W79-Y95 WeakPolarHBondContact O-CD2 3.45Å; W79-M100 HydrophobicContact CD2-CE 4.49Å; W79-M100 HydrophobicContact CD2-CG 3.94Å; W79-M100 HydrophobicContact CD2-SD 4.47Å; W79-M100 HydrophobicContact CE3-CE 3.6Å; W79-M100 HydrophobicContact CE3-CG 3.9Å; W79-M100 HydrophobicContact CE3-SD 4.13Å; W79-M100 HydrophobicContact CH2-CB 4.11Å; W79-M100 HydrophobicContact CH2-CE 4.38Å; W79-M100 HydrophobicContact CH2-CG 3.94Å; W79-M100 HydrophobicContact CZ2-CB 4.38Å; W79-M100 HydrophobicContact CZ2-CG 4.01Å; W79-M100 HydrophobicContact CZ3-CB 4.38Å; W79-M100 HydrophobicContact CZ3-CE 3.56Å; W79-M100 HydrophobicContact CZ3-CG 3.93Å; W79-M100 HydrophobicContact CZ3-SD 4.42Å; W79-Y103 AromaticContact CZ2-CD2 3.9Å; W79-Y103 HydrophobicContact CZ2-CD2 3.9Å; W79-M104 HydrophobicContact CH2-CG 4.24Å; W79-M104 HydrophobicContact CH2-SD 4.22Å; W79-M104 HydrophobicContact CZ3-SD 4.07Å; W79-F138 HydrophobicContact CZ3-CZ 4.46Å; W79-F151 HydrophobicContact CE3-CD1 4.45Å; W79-F151 HydrophobicContact CE3-CE1 4.42Å; W79-F151 AromaticContact CH2-CD1 3.92Å; W79-F151 HydrophobicContact CH2-CD1 3.92Å; W79-F151 AromaticContact CH2-CE1 3.13Å; W79-F151 HydrophobicContact CH2-CE1 3.13Å; W79-F151 AromaticContact CH2-CZ 3.81Å; W79-F151 HydrophobicContact CH2-CZ 3.81Å; W79-F151 HydrophobicContact CZ2-CD1 4.43Å; W79-F151 AromaticContact CZ2-CE1 3.66Å; W79-F151 HydrophobicContact CZ2-CE1 3.66Å; W79-F151 AromaticContact CZ3-CD1 3.89Å; W79-F151 HydrophobicContact CZ3-CD1 3.89Å; W79-F151 AromaticContact CZ3-CE1 3.54Å; W79-F151 HydrophobicContact CZ3-CE1 3.54Å; W79-F151 HydrophobicContact CZ3-CZ 4.32Å; W79-F173 HydrophobicContact CB-CD1 4.46Å; W79-F173 HydrophobicContact CE3-CD1 4.18Å; W79-F173 AromaticContact CE3-CE1 3.76Å; W79-F173 HydrophobicContact CE3-CE1 3.76Å; W79-F173 HydrophobicContact CZ3-CE1 4.22Å; W79-F173 PolarHBondContact N-O 2.85Å; W79-R175 HydrophobicContact CZ2-CB 4.03Å
80	G	95.6	Very high	95.9	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	160.3	174.4	0	0	0	0	0	112.9	L88 S91 F173	G80-L88 WeakPolarHBondContact O-CD1 3.33Å; G80-S91 WeakPolarHBondContact CA-OG 3.34Å; G80-F173 PolarHBondContact N-O 2.63Å; G80-F173 VanDerWaalsContact N-O 3.09Å; G80-F173 PolarHBondContact O-N 3.15Å
81	H	96.6	Very high	95.8	Very high	52 Å²	52	39.1 Å²	39.1	24%	0.241	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	164.2	-178.6	64.9	87.6	0	0	0	111.8	L78 S91 Y170 I171 Y172	L78-H81 HydrophobicContact CD1-CB 4.39Å; H81-S91 PolarHBondContact N-OG 2.84Å; H81-S91 VanDerWaalsContact O-CB 3.28Å; H81-S91 WeakPolarHBondContact O-CB 3.35Å; H81-S91 PolarHBondContact O-OG 3.41Å; H81-Y170 HydrophobicContact CB-CE1 3.8Å; H81-Y170 PolarHBondContact CE1-OH 3.4Å; H81-Y170 VanDerWaalsContact CE1-OH 3.31Å; H81-Y170 AromaticContact CG-CE1 3.95Å; H81-Y170 AromaticContact ND1-CE1 3.43Å; H81-Y170 WeakPolarHBondContact ND1-CE1 3.35Å; H81-Y170 AromaticContact ND1-CZ 3.49Å; H81-Y170 PolarHBondContact ND1-OH 2.95Å; H81-I171 CarbonylContact C-O 3.6Å; H81-I171 WeakPolarHBondContact CA-O 3.36Å; H81-I171 WeakPolarHBondContact CB-O 3.43Å; H81-Y172 HydrophobicContact CB-CD1 3.59Å; H81-Y172 HydrophobicContact CB-CE1 4.2Å; H81-Y172 HydrophobicContact CB-CG 4.27Å
82	G	96.1	Very high	95.8	Very high	2 Å²	2	39.1 Å²	39.1	2%	0.021	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.6	168.9	179	0	0	0	0	0	113.2	I171	G82-I171 PolarHBondContact N-O 3.23Å; G82-I171 PolarHBondContact O-N 3.48Å
83	Q	95.3	Very high	95.6	Very high	122 Å²	122	44.1 Å²	44.1	57%	0.57	23%	0.226	S	C	*	.	S	Bend	trans	-79.2	-24.9	174.2	-65.8	-177.6	-16.6	0	0	111.9	E87 Y170	Q83-E87 WeakPolarHBondContact CB-OE2 3.15Å; Q83-E87 PolarHBondContact N-OE2 2.82Å; Q83-Y170 HydrophobicContact CG-CD2 3.67Å; Q83-Y170 HydrophobicContact CG-CE2 3.68Å
84	T	94.1	Very high	95.4	Very high	62 Å²	62	46.7 Å²	46.7	38%	0.38	24%	0.244	S	C	.	.	S	Bend	trans	-123.9	159	179.8	66.5	0	0	0	0	111.2	S86 E87 L88	T84-S86 PolarHBondContact O-N 2.86Å; T84-E87 PolarHBondContact O-N 2.94Å; T84-E87 WeakPolarHBondContact OG1-CG 3.42Å; T84-E87 PolarHBondContact OG1-N 2.93Å; T84-E87 VanDerWaalsContact OG1-N 3.16Å; T84-E87 PolarHBondContact OG1-OE1 3.18Å; T84-L88 PolarHBondContact O-N 3.16Å
85	H	91.6	Very high	95.1	Very high	85 Å²	85	47.4 Å²	47.4	39%	0.394	25%	0.245	S	C	.	.	H	α-helix	trans	-59.3	-30.4	172.5	-80.1	-85	0	0	0	112.7	R89	H85-R89 WeakPolarHBondContact O-CB 3.5Å; H85-R89 PolarHBondContact O-N 3.38Å
86	S	94.1	Very high	94.8	Very high	83 Å²	83	49 Å²	49	58%	0.58	26%	0.255	S	S	*	.	H	α-helix	trans	-68.7	-43.9	176.3	-170.9	0	0	0	0	111.8	T84 R89 T90	T84-S86 PolarHBondContact O-N 2.86Å; S86-R89 PolarHBondContact O-N 3.19Å; S86-T90 WeakPolarHBondContact O-CB 3.28Å; S86-T90 PolarHBondContact O-N 3.4Å; S86-T90 PolarHBondContact O-OG1 2.82Å
87	E	96.6	Very high	94.4	Very high	82 Å²	82	53.3 Å²	53.3	38%	0.383	28%	0.283	S	S	.	.	H	α-helix	trans	-64	-45.4	174.2	-76	163.6	-134.4	0	0	111.7	Q83 T84 R89 T90 S91	Q83-E87 WeakPolarHBondContact CB-OE2 3.15Å; Q83-E87 PolarHBondContact N-OE2 2.82Å; T84-E87 PolarHBondContact O-N 2.94Å; T84-E87 WeakPolarHBondContact OG1-CG 3.42Å; T84-E87 PolarHBondContact OG1-N 2.93Å; T84-E87 VanDerWaalsContact OG1-N 3.16Å; T84-E87 PolarHBondContact OG1-OE1 3.18Å; E87-R89 VanDerWaalsContact C-N 3.31Å; E87-R89 PolarHBondContact O-N 2.88Å; E87-T90 PolarHBondContact O-N 3.41Å; E87-S91 WeakPolarHBondContact O-CB 3.49Å; E87-S91 PolarHBondContact O-N 2.86Å
88	L	96.3	Very high	94.1	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-55.9	-48.2	175	174.4	68.1	0	0	0	110.9	G80 T84 T90 S91 L92 L153 I171 F173	G80-L88 WeakPolarHBondContact O-CD1 3.33Å; T84-L88 PolarHBondContact O-N 3.16Å; L88-T90 VanDerWaalsContact C-N 3.33Å; L88-T90 PolarHBondContact O-N 3.21Å; L88-S91 WeakPolarHBondContact O-CB 3.33Å; L88-S91 PolarHBondContact O-N 3.27Å; L88-L92 HydrophobicContact CD1-CD1 3.95Å; L88-L92 HydrophobicContact CD1-CG 4.23Å; L88-L92 HydrophobicContact CD2-CD1 4.48Å; L88-L92 HydrophobicContact CG-CD1 3.85Å; L88-L92 HydrophobicContact CG-CG 4.49Å; L88-L92 WeakPolarHBondContact O-CB 3.4Å; L88-L92 WeakPolarHBondContact O-CG 3.41Å; L88-L92 PolarHBondContact O-N 3.13Å; L88-L153 HydrophobicContact CD2-CD1 3.84Å; L88-I171 HydrophobicContact CD2-CB 4.37Å; L88-I171 HydrophobicContact CD2-CG2 3.68Å; L88-F173 HydrophobicContact CD1-CB 3.96Å
89	R	95.7	Very high	93.8	Very high	126 Å²	126	61.4 Å²	61.4	48%	0.475	32%	0.32	S	S	.	.	H	α-helix	trans	-59.1	-45.6	177.6	177.5	173.8	-178.7	177.2	2.5	111.4	H85 S86 E87 S91 L92 L93 Y135	H85-R89 WeakPolarHBondContact O-CB 3.5Å; H85-R89 PolarHBondContact O-N 3.38Å; S86-R89 PolarHBondContact O-N 3.19Å; E87-R89 VanDerWaalsContact C-N 3.31Å; E87-R89 PolarHBondContact O-N 2.88Å; R89-S91 VanDerWaalsContact C-N 3.35Å; R89-L92 PolarHBondContact O-N 3.21Å; R89-L93 HydrophobicContact CG-CD1 4Å; R89-L93 HydrophobicContact CG-CG 4.48Å; R89-L93 VanDerWaalsContact O-CG 3.29Å; R89-L93 WeakPolarHBondContact O-CG 3.04Å; R89-L93 PolarHBondContact O-N 3.47Å; R89-Y135 HydrophobicContact CB-CE1 4.36Å; R89-Y135 HydrophobicContact CB-CE2 4.2Å; R89-Y135 HydrophobicContact CG-CD1 4.49Å; R89-Y135 HydrophobicContact CG-CD2 4.08Å; R89-Y135 HydrophobicContact CG-CE1 4.2Å; R89-Y135 HydrophobicContact CG-CE2 3.77Å; R89-Y135 HydrophobicContact CG-CG 4.43Å
90	T	95.7	Very high	93.5	Very high	75 Å²	75	61.7 Å²	61.7	46%	0.46	32%	0.322	S	S	.	.	H	α-helix	trans	-62.6	-43.8	178.4	-56.5	0	0	0	0	111.1	S86 E87 L88 L93 N94	S86-T90 WeakPolarHBondContact O-CB 3.28Å; S86-T90 PolarHBondContact O-N 3.4Å; S86-T90 PolarHBondContact O-OG1 2.82Å; E87-T90 PolarHBondContact O-N 3.41Å; L88-T90 VanDerWaalsContact C-N 3.33Å; L88-T90 PolarHBondContact O-N 3.21Å; T90-L93 PolarHBondContact O-N 3Å; T90-N94 VanDerWaalsContact O-CG 3.26Å; T90-N94 PolarHBondContact O-N 2.88Å; T90-N94 VanDerWaalsContact O-N 3.14Å; T90-N94 PolarHBondContact O-ND2 3.01Å
91	S	95.3	Very high	93.3	Very high	33 Å²	33	64.5 Å²	64.5	23%	0.231	34%	0.342	C	S	.	.	H	α-helix	trans	-61	-45.5	176.9	-178.3	0	0	0	0	111.7	G80 H81 E87 L88 R89 N94 Y95	G80-S91 WeakPolarHBondContact CA-OG 3.34Å; H81-S91 PolarHBondContact N-OG 2.84Å; H81-S91 VanDerWaalsContact O-CB 3.28Å; H81-S91 WeakPolarHBondContact O-CB 3.35Å; H81-S91 PolarHBondContact O-OG 3.41Å; E87-S91 WeakPolarHBondContact O-CB 3.49Å; E87-S91 PolarHBondContact O-N 2.86Å; L88-S91 WeakPolarHBondContact O-CB 3.33Å; L88-S91 PolarHBondContact O-N 3.27Å; R89-S91 VanDerWaalsContact C-N 3.35Å; S91-N94 PolarHBondContact O-N 2.96Å; S91-Y95 PolarHBondContact O-N 3.18Å
92	L	94.8	Very high	93	Very high	3 Å²	3	65 Å²	65	2%	0.016	35%	0.349	C	S	.	.	H	α-helix	trans	-65	-40.8	177.8	-74.3	167.4	0	0	0	113.2	W79 L88 R89 N94 Y95 Y135 L136 F173	W79-L92 HydrophobicContact CB-CD2 3.7Å; L88-L92 HydrophobicContact CD1-CD1 3.95Å; L88-L92 HydrophobicContact CD1-CG 4.23Å; L88-L92 HydrophobicContact CD2-CD1 4.48Å; L88-L92 HydrophobicContact CG-CD1 3.85Å; L88-L92 HydrophobicContact CG-CG 4.49Å; L88-L92 WeakPolarHBondContact O-CB 3.4Å; L88-L92 WeakPolarHBondContact O-CG 3.41Å; L88-L92 PolarHBondContact O-N 3.13Å; R89-L92 PolarHBondContact O-N 3.21Å; L92-N94 PolarHBondContact O-N 3.11Å; L92-Y95 WeakPolarHBondContact O-CB 3.4Å; L92-Y95 PolarHBondContact O-N 3.34Å; L92-Y135 HydrophobicContact CD1-CE2 4.2Å; L92-Y135 WeakPolarHBondContact CD1-OH 3.49Å; L92-L136 HydrophobicContact CB-CD2 4.25Å; L92-L136 HydrophobicContact CD1-CD1 4.41Å; L92-L136 HydrophobicContact CD1-CD2 4.38Å; L92-F173 HydrophobicContact CD1-CB 4.18Å; L92-F173 HydrophobicContact CD1-CD1 4.29Å; L92-F173 HydrophobicContact CD1-CG 4.34Å; L92-F173 HydrophobicContact CD2-CB 4.11Å; L92-F173 HydrophobicContact CD2-CD1 3.59Å; L92-F173 HydrophobicContact CD2-CE1 4.47Å; L92-F173 HydrophobicContact CD2-CG 4.22Å
93	L	92.1	Very high	92.8	Very high	104 Å²	104	67.3 Å²	67.3	55%	0.545	36%	0.358	S	S	.	.	H	α-helix	trans	-68.9	-24.1	177.8	-69.9	173.7	0	0	0	112.9	R89 T90	R89-L93 HydrophobicContact CG-CD1 4Å; R89-L93 HydrophobicContact CG-CG 4.48Å; R89-L93 VanDerWaalsContact O-CG 3.29Å; R89-L93 WeakPolarHBondContact O-CG 3.04Å; R89-L93 PolarHBondContact O-N 3.47Å; T90-L93 PolarHBondContact O-N 3Å
94	N	92.6	Very high	92.6	Very high	127 Å²	127	61.9 Å²	61.9	68%	0.679	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-10.2	175.2	-70.8	-25.1	0	0	0	113	T90 S91 L92	T90-N94 VanDerWaalsContact O-CG 3.26Å; T90-N94 PolarHBondContact O-N 2.88Å; T90-N94 VanDerWaalsContact O-N 3.14Å; T90-N94 PolarHBondContact O-ND2 3.01Å; S91-N94 PolarHBondContact O-N 2.96Å; L92-N94 PolarHBondContact O-N 3.11Å
95	Y	92.2	Very high	92.4	Very high	25 Å²	25	64.1 Å²	64.1	10%	0.098	34%	0.338	C	S	.	.	S	Bend	trans	-71.6	139	178.6	-171.7	-87.6	0	0	0	110.5	L10 E77 L78 W79 S91 L92 P97 K99 M100	L10-Y95 WeakPolarHBondContact CD2-OH 3.49Å; E77-Y95 PolarHBondContact OE1-OH 2.97Å; L78-Y95 WeakPolarHBondContact O-CE2 3.38Å; W79-Y95 HydrophobicContact CB-CD2 4.29Å; W79-Y95 HydrophobicContact CB-CG 4.29Å; W79-Y95 AromaticContact CD1-CE1 3.84Å; W79-Y95 AromaticContact CD1-CE2 3.95Å; W79-Y95 AromaticContact CD1-CZ 3.58Å; W79-Y95 HydrophobicContact CG-CD1 4.41Å; W79-Y95 HydrophobicContact CG-CE1 4.24Å; W79-Y95 HydrophobicContact CG-CE2 4.49Å; W79-Y95 WeakPolarHBondContact O-CB 3.28Å; W79-Y95 WeakPolarHBondContact O-CD2 3.45Å; S91-Y95 PolarHBondContact O-N 3.18Å; L92-Y95 WeakPolarHBondContact O-CB 3.4Å; L92-Y95 PolarHBondContact O-N 3.34Å; Y95-P97 VanDerWaalsContact O-CD 3.27Å; Y95-P97 WeakPolarHBondContact O-CD 3.36Å; Y95-P97 VanDerWaalsContact O-N 3.15Å; Y95-K99 HydrophobicContact CE1-CB 3.65Å; Y95-K99 HydrophobicContact CE1-CD 4.39Å; Y95-M100 HydrophobicContact CD1-CG 3.46Å; Y95-M100 VanDerWaalsContact CD1-CG 3.46Å; Y95-M100 HydrophobicContact CD1-SD 3.63Å; Y95-M100 HydrophobicContact CE1-CG 3.69Å; Y95-M100 HydrophobicContact CE1-SD 4.44Å; Y95-M100 HydrophobicContact CG-SD 4.36Å
96	P	91.6	Very high	92.2	Very high	32 Å²	32	67.8 Å²	67.8	21%	0.208	35%	0.353	C	S	.	.			trans	-60.9	117.4	-171.3	-21.9	32.1	0	0	0	113.1	E98 K99 M100	P96-E98 HydrophobicContact CB-CG 4.47Å; P96-E98 WeakPolarHBondContact CB-OE1 3.37Å; P96-E98 PolarHBondContact O-N 3.12Å; P96-K99 HydrophobicContact CB-CD 4.11Å; P96-K99 HydrophobicContact CB-CG 4.25Å; P96-K99 HydrophobicContact CG-CD 4.12Å; P96-K99 WeakPolarHBondContact O-CB 3.45Å; P96-K99 PolarHBondContact O-N 3.33Å; P96-M100 PolarHBondContact O-N 2.94Å
97	P	87.9	Confident	91.9	Very high	92 Å²	92	67.5 Å²	67.5	60%	0.597	36%	0.363	S	S	*	.	H	α-helix	trans	-59.8	-32.8	-175.2	-26.1	35	0	0	0	113.7	Y95 K99 M100 S101	Y95-P97 VanDerWaalsContact O-CD 3.27Å; Y95-P97 WeakPolarHBondContact O-CD 3.36Å; Y95-P97 VanDerWaalsContact O-N 3.15Å; P97-K99 PolarHBondContact O-N 2.88Å; P97-M100 PolarHBondContact O-N 2.85Å; P97-M100 VanDerWaalsContact O-N 3.16Å; P97-S101 WeakPolarHBondContact O-CB 3.41Å; P97-S101 PolarHBondContact O-N 2.86Å
98	E	90.4	Very high	91.8	Very high	128 Å²	128	64 Å²	64	60%	0.598	35%	0.348	S	S	*	.	H	α-helix	trans	-61.2	-27.3	177.3	66	-82.5	-168.7	0	0	112.8	P96 S101 P102	P96-E98 HydrophobicContact CB-CG 4.47Å; P96-E98 WeakPolarHBondContact CB-OE1 3.37Å; P96-E98 PolarHBondContact O-N 3.12Å; E98-S101 PolarHBondContact O-OG 3.01Å; E98-P102 WeakPolarHBondContact O-CD 3.3Å
99	K	89.5	Confident	91.7	Very high	50 Å²	50	64.9 Å²	64.9	22%	0.217	35%	0.354	C	S	.	.	H	α-helix	trans	-84.1	-30.2	176.7	-66.8	179.6	174.3	-175.1	0	112.5	S8 L10 Y95 P96 P97 P102 Y103	S8-K99 PolarHBondContact O-NZ 3.15Å; S8-K99 PolarHBondContact OG-NZ 3.06Å; L10-K99 HydrophobicContact CD2-CD 3.76Å; Y95-K99 HydrophobicContact CE1-CB 3.65Å; Y95-K99 HydrophobicContact CE1-CD 4.39Å; P96-K99 HydrophobicContact CB-CD 4.11Å; P96-K99 HydrophobicContact CB-CG 4.25Å; P96-K99 HydrophobicContact CG-CD 4.12Å; P96-K99 WeakPolarHBondContact O-CB 3.45Å; P96-K99 PolarHBondContact O-N 3.33Å; P97-K99 PolarHBondContact O-N 2.88Å; K99-P102 WeakPolarHBondContact O-CD 3.24Å; K99-Y103 WeakPolarHBondContact O-CD2 3.39Å; K99-Y103 VanDerWaalsContact O-CE2 3.28Å; K99-Y103 WeakPolarHBondContact O-CE2 3.21Å
100	M	90.5	Very high	91.7	Very high	12 Å²	12	60.4 Å²	60.4	6%	0.059	34%	0.337	C	S	.	.	H	α-helix	trans	-79.3	-39.5	176	-71.6	175.3	65.1	0	0	112.5	W79 Y95 P96 P97 P102 Y103 M104 L136	W79-M100 HydrophobicContact CD2-CE 4.49Å; W79-M100 HydrophobicContact CD2-CG 3.94Å; W79-M100 HydrophobicContact CD2-SD 4.47Å; W79-M100 HydrophobicContact CE3-CE 3.6Å; W79-M100 HydrophobicContact CE3-CG 3.9Å; W79-M100 HydrophobicContact CE3-SD 4.13Å; W79-M100 HydrophobicContact CH2-CB 4.11Å; W79-M100 HydrophobicContact CH2-CE 4.38Å; W79-M100 HydrophobicContact CH2-CG 3.94Å; W79-M100 HydrophobicContact CZ2-CB 4.38Å; W79-M100 HydrophobicContact CZ2-CG 4.01Å; W79-M100 HydrophobicContact CZ3-CB 4.38Å; W79-M100 HydrophobicContact CZ3-CE 3.56Å; W79-M100 HydrophobicContact CZ3-CG 3.93Å; W79-M100 HydrophobicContact CZ3-SD 4.42Å; Y95-M100 HydrophobicContact CD1-CG 3.46Å; Y95-M100 VanDerWaalsContact CD1-CG 3.46Å; Y95-M100 HydrophobicContact CD1-SD 3.63Å; Y95-M100 HydrophobicContact CE1-CG 3.69Å; Y95-M100 HydrophobicContact CE1-SD 4.44Å; Y95-M100 HydrophobicContact CG-SD 4.36Å; P96-M100 PolarHBondContact O-N 2.94Å; P97-M100 PolarHBondContact O-N 2.85Å; P97-M100 VanDerWaalsContact O-N 3.16Å; M100-P102 VanDerWaalsContact C-N 3.32Å; M100-P102 WeakPolarHBondContact O-CD 3.36Å; M100-P102 VanDerWaalsContact O-N 3.13Å; M100-Y103 PolarHBondContact O-N 3.34Å; M100-M104 HydrophobicContact CB-SD 3.86Å; M100-M104 HydrophobicContact CE-CE 4.18Å; M100-M104 HydrophobicContact CE-SD 3.53Å; M100-M104 VanDerWaalsContact CE-SD 3.53Å; M100-L136 HydrophobicContact CE-CD2 4.08Å
101	S	89.6	Confident	91.7	Very high	60 Å²	60	60 Å²	60	42%	0.42	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-52.2	-35.6	-171.3	70.1	0	0	0	0	115.6	P97 E98 Y103 M104 Q105	P97-S101 WeakPolarHBondContact O-CB 3.41Å; P97-S101 PolarHBondContact O-N 2.86Å; E98-S101 PolarHBondContact O-OG 3.01Å; S101-Y103 PolarHBondContact O-N 3.19Å; S101-M104 PolarHBondContact O-N 3.08Å; S101-Q105 WeakPolarHBondContact O-CG 3.43Å; S101-Q105 PolarHBondContact O-NE2 2.99Å
102	P	91.7	Very high	91.8	Very high	61 Å²	61	59.5 Å²	59.5	40%	0.396	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-63.7	-25.1	178.5	-22.3	36.5	0	0	0	113.5	E98 K99 M100	E98-P102 WeakPolarHBondContact O-CD 3.3Å; K99-P102 WeakPolarHBondContact O-CD 3.24Å; M100-P102 VanDerWaalsContact C-N 3.32Å; M100-P102 WeakPolarHBondContact O-CD 3.36Å; M100-P102 VanDerWaalsContact O-N 3.13Å
103	Y	92.1	Very high	91.8	Very high	52 Å²	52	61 Å²	61	20%	0.204	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-102.1	0.6	-171.9	-49.9	-70.6	0	0	0	113.8	W79 K99 M100 S101 H149 R175	W79-Y103 AromaticContact CZ2-CD2 3.9Å; W79-Y103 HydrophobicContact CZ2-CD2 3.9Å; K99-Y103 WeakPolarHBondContact O-CD2 3.39Å; K99-Y103 VanDerWaalsContact O-CE2 3.28Å; K99-Y103 WeakPolarHBondContact O-CE2 3.21Å; M100-Y103 PolarHBondContact O-N 3.34Å; S101-Y103 PolarHBondContact O-N 3.19Å; Y103-H149 AromaticContact CD1-CE1 3.72Å; Y103-H149 AromaticContact CD1-ND1 3.76Å; Y103-H149 PolarHBondContact O-CD2 3.22Å; Y103-H149 VanDerWaalsContact O-CD2 3.32Å; Y103-R175 VanDerWaalsContact CZ-CZ 3.44Å; Y103-R175 PolarHBondContact OH-NH2 3.32Å
104	M	89.6	Confident	92	Very high	8 Å²	8	56.3 Å²	56.3	4%	0.039	31%	0.306	C	S	.	.	S	Bend	trans	-122.2	6.8	-172.7	-59	-178.1	78.6	0	0	113.4	W79 M100 S101 L136 P137 F138 E139 G140	W79-M104 HydrophobicContact CH2-CG 4.24Å; W79-M104 HydrophobicContact CH2-SD 4.22Å; W79-M104 HydrophobicContact CZ3-SD 4.07Å; M100-M104 HydrophobicContact CB-SD 3.86Å; M100-M104 HydrophobicContact CE-CE 4.18Å; M100-M104 HydrophobicContact CE-SD 3.53Å; M100-M104 VanDerWaalsContact CE-SD 3.53Å; S101-M104 PolarHBondContact O-N 3.08Å; M104-L136 HydrophobicContact CE-CB 4.06Å; M104-P137 HydrophobicContact CE-CG 3.98Å; M104-P137 HydrophobicContact SD-CG 4.38Å; M104-F138 HydrophobicContact CB-CD1 4.13Å; M104-F138 HydrophobicContact CE-CB 4.14Å; M104-F138 HydrophobicContact CE-CD1 3.37Å; M104-F138 HydrophobicContact CE-CD2 3.56Å; M104-F138 HydrophobicContact CE-CE1 3.49Å; M104-F138 VanDerWaalsContact CE-CE1 3.49Å; M104-F138 HydrophobicContact CE-CE2 3.69Å; M104-F138 HydrophobicContact CE-CG 3.4Å; M104-F138 HydrophobicContact CE-CZ 3.66Å; M104-F138 HydrophobicContact CG-CD1 3.75Å; M104-F138 HydrophobicContact CG-CE1 3.68Å; M104-F138 HydrophobicContact SD-CD1 4.37Å; M104-F138 HydrophobicContact SD-CE1 4.19Å; M104-E139 WeakPolarHBondContact O-CB 3.34Å; M104-E139 PolarHBondContact O-N 2.95Å; M104-G140 PolarHBondContact O-N 2.96Å
105	Q	90.7	Very high	92.1	Very high	108 Å²	108	54.9 Å²	54.9	51%	0.505	29%	0.292	S	S	.	.			trans	-73.4	152.3	-171.1	-51.7	-174	-9.2	0	0	113	S101 G107 S108 G140	S101-Q105 WeakPolarHBondContact O-CG 3.43Å; S101-Q105 PolarHBondContact O-NE2 2.99Å; Q105-G107 PolarHBondContact O-N 2.85Å; Q105-G107 VanDerWaalsContact O-N 3.07Å; Q105-S108 WeakPolarHBondContact O-CB 3.49Å; Q105-S108 PolarHBondContact O-N 2.8Å; Q105-S108 PolarHBondContact O-OG 3.49Å; Q105-G140 VanDerWaalsContact O-CA 3.3Å; Q105-G140 WeakPolarHBondContact O-CA 3.4Å
106	K	88.1	Confident	92.1	Very high	163 Å²	163	55.3 Å²	55.3	71%	0.709	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-28	178.6	-167	173.9	-177.6	175.5	0	115.9	S108 E139	K106-S108 VanDerWaalsContact C-N 3.3Å; K106-E139 WeakPolarHBondContact CA-O 3.34Å; K106-E139 HydrophobicContact CB-CB 4.15Å
107	G	88.1	Confident	92.2	Very high	77 Å²	77	54.8 Å²	54.8	79%	0.794	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-3.8	177.1	0	0	0	0	0	114.8	Q105	Q105-G107 PolarHBondContact O-N 2.85Å; Q105-G107 VanDerWaalsContact O-N 3.07Å
108	S	92.9	Very high	92.4	Very high	9 Å²	9	52.3 Å²	52.3	6%	0.063	27%	0.273	C	S	.	.			trans	-101.1	162.1	-176	73.4	0	0	0	0	112.7	Q105 K106 G140 T141	Q105-S108 WeakPolarHBondContact O-CB 3.49Å; Q105-S108 PolarHBondContact O-N 2.8Å; Q105-S108 PolarHBondContact O-OG 3.49Å; K106-S108 VanDerWaalsContact C-N 3.3Å; S108-G140 WeakPolarHBondContact O-CA 3.28Å; S108-T141 PolarHBondContact O-N 2.81Å; S108-T141 PolarHBondContact O-OG1 2.82Å
109	S	95	Very high	92.4	Very high	18 Å²	18	49.1 Å²	49.1	13%	0.126	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	142.5	168.9	62.8	0	0	0	0	112.1	T141 Q148 H149	S109-T141 CarbonylContact C-O 3.59Å; S109-T141 WeakPolarHBondContact CA-O 3.32Å; S109-Q148 WeakPolarHBondContact O-CA 3.46Å; S109-Q148 WeakPolarHBondContact O-CB 3.37Å; S109-Q148 PolarHBondContact O-N 3.17Å; S109-Q148 PolarHBondContact OG-N 2.94Å; S109-Q148 VanDerWaalsContact OG-N 3.12Å; S109-H149 PolarHBondContact O-N 2.78Å
110	Y	95.9	Very high	92.5	Very high	31 Å²	31	53.1 Å²	53.1	12%	0.122	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	165.6	-178.3	74.8	-82	0	0	0	114	I112 F138 G140 T141 V142 S143 H149 F151	Y110-I112 HydrophobicContact CD2-CG1 4.03Å; Y110-I112 HydrophobicContact CE2-CD1 4.05Å; Y110-I112 HydrophobicContact CE2-CG1 3.93Å; Y110-F138 HydrophobicContact CD1-CD1 4.31Å; Y110-F138 HydrophobicContact CD2-CD1 4.18Å; Y110-F138 HydrophobicContact CD2-CE1 4.29Å; Y110-F138 HydrophobicContact CE1-CB 3.99Å; Y110-F138 HydrophobicContact CE1-CD1 4.17Å; Y110-F138 HydrophobicContact CE1-CG 4.29Å; Y110-F138 HydrophobicContact CE2-CB 4.43Å; Y110-F138 HydrophobicContact CE2-CD1 4.03Å; Y110-F138 HydrophobicContact CE2-CD2 4.43Å; Y110-F138 HydrophobicContact CE2-CE1 4.42Å; Y110-F138 HydrophobicContact CE2-CG 4.06Å; Y110-F138 HydrophobicContact CG-CD1 4.33Å; Y110-F138 AromaticContact CZ-CG 3.86Å; Y110-G140 WeakPolarHBondContact CE1-O 3.48Å; Y110-T141 PolarHBondContact N-O 3.42Å; Y110-V142 HydrophobicContact CE1-CG2 4.22Å; Y110-V142 HydrophobicContact CE2-CG2 4.31Å; Y110-V142 CarbonylContact O-C 3.5Å; Y110-V142 WeakPolarHBondContact O-CA 3.42Å; Y110-S143 PolarHBondContact O-N 2.82Å; Y110-H149 CarbonylContact C-O 3.59Å; Y110-H149 WeakPolarHBondContact CA-O 3.41Å; Y110-H149 WeakPolarHBondContact CB-O 3.38Å; Y110-F151 HydrophobicContact CD2-CD2 4.1Å; Y110-F151 HydrophobicContact CD2-CE2 4.31Å; Y110-F151 HydrophobicContact CG-CD2 4.46Å; Y110-F151 HydrophobicContact CG-CE2 4.26Å
111	R	95.6	Very high	92.5	Very high	68 Å²	68	53.2 Å²	53.2	26%	0.257	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	153.3	162	72.6	179.6	177.1	-170.1	1.3	110.5	L144 P147 H149 I150 F151	R111-L144 PolarHBondContact NH1-O 2.84Å; R111-P147 HydrophobicContact CB-CB 4.35Å; R111-P147 HydrophobicContact CB-CG 4.41Å; R111-P147 HydrophobicContact CG-CB 4.18Å; R111-P147 HydrophobicContact CG-CG 3.82Å; R111-H149 PolarHBondContact N-O 3.24Å; R111-I150 HydrophobicContact CG-CG1 4.17Å; R111-I150 HydrophobicContact CG-CG2 4.23Å; R111-F151 PolarHBondContact O-N 3.44Å
112	I	96.4	Very high	92.6	Very high	21 Å²	21	56.2 Å²	56.2	11%	0.108	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	121.4	171.1	-54.1	-178.4	0	0	0	108.1	Y110 I130 L133 F138 F151 F173	Y110-I112 HydrophobicContact CD2-CG1 4.03Å; Y110-I112 HydrophobicContact CE2-CD1 4.05Å; Y110-I112 HydrophobicContact CE2-CG1 3.93Å; I112-I130 HydrophobicContact CB-CG1 4.28Å; I112-I130 HydrophobicContact CB-CG2 4.29Å; I112-I130 HydrophobicContact CD1-CG2 4.26Å; I112-I130 HydrophobicContact CG2-CG1 4.08Å; I112-I130 WeakPolarHBondContact O-CD1 3.45Å; I112-L133 HydrophobicContact CD1-CD1 4.48Å; I112-L133 HydrophobicContact CG2-CD1 4.3Å; I112-F138 HydrophobicContact CD1-CE2 3.97Å; I112-F138 HydrophobicContact CD1-CZ 4.39Å; I112-F151 CarbonylContact C-O 3.57Å; I112-F151 WeakPolarHBondContact CA-O 3.35Å; I112-F151 HydrophobicContact CG1-CB 4.21Å; I112-F173 HydrophobicContact CG2-CE2 4.07Å
113	N	95.6	Very high	92.5	Very high	34 Å²	34	60.6 Å²	60.6	18%	0.182	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	145.2	174.3	-71.1	-15.1	0	0	0	110	Y115 F151 C152 L153	N113-Y115 HydrophobicContact CB-CD2 4.3Å; N113-Y115 HydrophobicContact CB-CE2 3.69Å; N113-Y115 PolarHBondContact ND2-OH 3.13Å; N113-F151 PolarHBondContact N-O 2.94Å; N113-C152 CarbonylContact O-C 3.59Å; N113-C152 VanDerWaalsContact O-CA 3.28Å; N113-C152 WeakPolarHBondContact O-CA 3.5Å; N113-L153 PolarHBondContact O-N 2.94Å
114	V	95.9	Very high	92.5	Very high	7 Å²	7	64.7 Å²	64.7	4%	0.042	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	119.9	172.6	-175.5	0	0	0	0	108.8	L121 R126 K129 I130 L153	V114-L121 HydrophobicContact CG1-CD1 3.93Å; V114-R126 HydrophobicContact CB-CB 4.33Å; V114-R126 HydrophobicContact CB-CG 4.24Å; V114-R126 HydrophobicContact CG2-CB 4.3Å; V114-R126 PolarHBondContact O-NH1 2.92Å; V114-K129 HydrophobicContact CG1-CD 4.06Å; V114-K129 HydrophobicContact CG2-CB 4.4Å; V114-I130 HydrophobicContact CG2-CD1 4.15Å; V114-I130 HydrophobicContact CG2-CG1 3.8Å; V114-L153 WeakPolarHBondContact CA-O 3.21Å; V114-L153 HydrophobicContact CG1-CD2 4.4Å; V114-L153 HydrophobicContact CG2-CB 4.37Å; V114-L153 HydrophobicContact CG2-CD2 4.42Å
115	Y	94.6	Very high	92.6	Very high	97 Å²	97	66.9 Å²	66.9	38%	0.38	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135.9	175.5	-67.9	-70.8	0	0	0	110.2	N113 C152 L153 L154 E155	N113-Y115 HydrophobicContact CB-CD2 4.3Å; N113-Y115 HydrophobicContact CB-CE2 3.69Å; N113-Y115 PolarHBondContact ND2-OH 3.13Å; Y115-C152 HydrophobicContact CD2-CB 4.17Å; Y115-C152 HydrophobicContact CE2-CB 4.4Å; Y115-C152 VanDerWaalsContact CE2-SG 3.56Å; Y115-L153 PolarHBondContact N-O 3.36Å; Y115-L154 CarbonylContact O-C 3.57Å; Y115-L154 VanDerWaalsContact O-CA 3.3Å; Y115-L154 WeakPolarHBondContact O-CA 3.37Å; Y115-E155 PolarHBondContact O-N 3.15Å
116	T	93.4	Very high	92.8	Very high	33 Å²	33	65.7 Å²	65.7	20%	0.202	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	135.3	179.3	49.8	0	0	0	0	109.5	K119 L121 E155 Y157	T116-K119 WeakPolarHBondContact CB-O 3.45Å; T116-K119 PolarHBondContact OG1-O 3.19Å; T116-L121 HydrophobicContact CG2-CD1 3.31Å; T116-L121 HydrophobicContact CG2-CD2 4.42Å; T116-L121 HydrophobicContact CG2-CG 3.58Å; T116-E155 WeakPolarHBondContact CA-O 3.32Å; T116-E155 HydrophobicContact CG2-CB 4.13Å; T116-Y157 HydrophobicContact CG2-CE2 3.93Å
117	F	93.3	Very high	93	Very high	22 Å²	22	61 Å²	61	10%	0.096	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	135	167.5	-178	-107.6	0	0	0	109.3	H18 P50 F51 K119 E155 Y157 G158 T159	H18-F117 HydrophobicContact CB-CE2 3.79Å; H18-F117 HydrophobicContact CB-CZ 4.18Å; H18-F117 AromaticContact CE1-CZ 3.96Å; H18-F117 AromaticContact CG-CE2 3.85Å; H18-F117 AromaticContact CG-CZ 3.69Å; H18-F117 AromaticContact ND1-CZ 3.66Å; P50-F117 HydrophobicContact CB-CD1 4.45Å; P50-F117 HydrophobicContact CB-CD2 3.74Å; P50-F117 HydrophobicContact CB-CE1 4.49Å; P50-F117 HydrophobicContact CB-CE2 3.83Å; P50-F117 HydrophobicContact CB-CG 4.07Å; P50-F117 HydrophobicContact CB-CZ 4.21Å; P50-F117 HydrophobicContact CG-CB 4.05Å; P50-F117 HydrophobicContact CG-CD1 3.62Å; P50-F117 HydrophobicContact CG-CD2 3.75Å; P50-F117 HydrophobicContact CG-CE1 3.9Å; P50-F117 HydrophobicContact CG-CE2 4.06Å; P50-F117 HydrophobicContact CG-CG 3.53Å; P50-F117 HydrophobicContact CG-CZ 4.12Å; F51-F117 HydrophobicContact CE2-CB 4.07Å; F51-F117 HydrophobicContact CZ-CB 4.33Å; F117-K119 PolarHBondContact O-N 2.81Å; F117-K119 VanDerWaalsContact O-N 3.11Å; F117-E155 PolarHBondContact N-O 3.31Å; F117-Y157 WeakPolarHBondContact O-CB 3.14Å; F117-Y157 PolarHBondContact O-N 2.74Å; F117-G158 VanDerWaalsContact CD1-O 3.32Å; F117-G158 WeakPolarHBondContact CD1-O 3.4Å; F117-G158 WeakPolarHBondContact CE1-O 3.47Å; F117-T159 HydrophobicContact CE1-CG2 3.99Å; F117-T159 HydrophobicContact CZ-CG2 4.42Å
118	N	91.3	Very high	93.3	Very high	40 Å²	40	63.2 Å²	63.2	21%	0.214	30%	0.304	C	S	.	.	S	Bend	trans	59.5	17.2	177.7	-160.4	40.4	0	0	0	116.1	G158 D160 P161 I164	N118-G158 WeakPolarHBondContact CB-O 3.38Å; N118-G158 VanDerWaalsContact CG-O 3.31Å; N118-G158 PolarHBondContact ND2-O 2.84Å; N118-D160 VanDerWaalsContact ND2-C 3.29Å; N118-D160 PolarHBondContact ND2-O 2.75Å; N118-P161 WeakPolarHBondContact OD1-CA 3.48Å; N118-I164 WeakPolarHBondContact O-CD1 3.48Å; N118-I164 WeakPolarHBondContact O-CG1 3.37Å; N118-I164 WeakPolarHBondContact O-CG2 3.36Å
119	K	91.4	Very high	93.3	Very high	60 Å²	60	64.3 Å²	64.3	26%	0.261	31%	0.307	S	S	.	.			trans	-144.9	144.6	172.2	-165	168.2	-169.8	159.9	0	110.4	T116 F117 L121 Y157 I164 P165 E166	T116-K119 WeakPolarHBondContact CB-O 3.45Å; T116-K119 PolarHBondContact OG1-O 3.19Å; F117-K119 PolarHBondContact O-N 2.81Å; F117-K119 VanDerWaalsContact O-N 3.11Å; K119-L121 HydrophobicContact CD-CD2 4.3Å; K119-L121 HydrophobicContact CG-CD2 4.41Å; K119-Y157 HydrophobicContact CB-CD1 4.34Å; K119-Y157 HydrophobicContact CB-CD2 3.63Å; K119-Y157 HydrophobicContact CB-CE2 3.98Å; K119-Y157 HydrophobicContact CB-CG 3.82Å; K119-Y157 HydrophobicContact CD-CD1 3.54Å; K119-Y157 HydrophobicContact CD-CD2 4.03Å; K119-Y157 HydrophobicContact CD-CE1 3.31Å; K119-Y157 HydrophobicContact CD-CE2 3.81Å; K119-Y157 HydrophobicContact CD-CG 3.9Å; K119-Y157 VanDerWaalsContact CD-CZ 3.45Å; K119-Y157 HydrophobicContact CG-CD2 4.48Å; K119-Y157 HydrophobicContact CG-CE2 4.47Å; K119-I164 HydrophobicContact CB-CG2 4.11Å; K119-I164 HydrophobicContact CD-CG2 4.06Å; K119-I164 HydrophobicContact CG-CG2 4.13Å; K119-P165 PolarHBondContact NZ-O 3.05Å; K119-P165 VanDerWaalsContact NZ-O 3.11Å; K119-E166 PolarHBondContact NZ-O 3.01Å
120	T	90.6	Very high	93.2	Very high	134 Å²	134	65.6 Å²	65.6	82%	0.822	31%	0.313	S	S	*	.			trans	-104.2	122.5	169.7	-61.3	0	0	0	0	108.9
121	L	90.2	Very high	93.1	Very high	15 Å²	15	69.1 Å²	69.1	8%	0.079	33%	0.333	C	S	.	.			trans	-96.4	139.1	175.5	-61.9	-178.6	0	0	0	111.6	V114 T116 K119 R126 K129	V114-L121 HydrophobicContact CG1-CD1 3.93Å; T116-L121 HydrophobicContact CG2-CD1 3.31Å; T116-L121 HydrophobicContact CG2-CD2 4.42Å; T116-L121 HydrophobicContact CG2-CG 3.58Å; K119-L121 HydrophobicContact CD-CD2 4.3Å; K119-L121 HydrophobicContact CG-CD2 4.41Å; L121-R126 HydrophobicContact CB-CG 3.94Å; L121-R126 HydrophobicContact CD1-CG 4.3Å; L121-R126 PolarHBondContact O-NE 3.27Å; L121-K129 HydrophobicContact CD1-CD 3.72Å
122	L	92.1	Very high	93	Very high	123 Å²	123	68.4 Å²	68.4	64%	0.644	34%	0.342	S	S	*	.			trans	-64.8	157.1	166.4	-61.8	177.8	0	0	0	110.5	E124 D125 R126	L122-E124 PolarHBondContact O-N 3.25Å; L122-D125 PolarHBondContact O-N 3.28Å; L122-R126 WeakPolarHBondContact O-CG 3.29Å; L122-R126 PolarHBondContact O-N 3.28Å
123	F	89.9	Confident	92.8	Very high	152 Å²	152	67.7 Å²	67.7	67%	0.667	34%	0.339	S	S	*	.	H	α-helix	trans	-60.3	-44.9	-177.9	-177.8	-100.6	0	0	0	112.3	D125 R126 I127	F123-D125 VanDerWaalsContact C-N 3.3Å; F123-D125 PolarHBondContact O-N 3.1Å; F123-R126 WeakPolarHBondContact O-CB 3.45Å; F123-R126 PolarHBondContact O-N 3.32Å; F123-R126 VanDerWaalsContact O-N 3.11Å; F123-I127 HydrophobicContact CD1-CG1 4.26Å; F123-I127 HydrophobicContact CE1-CD1 4.14Å; F123-I127 HydrophobicContact CE1-CG1 3.85Å; F123-I127 HydrophobicContact CE2-CD1 4.41Å; F123-I127 HydrophobicContact CZ-CD1 3.88Å; F123-I127 HydrophobicContact CZ-CG1 4.1Å; F123-I127 PolarHBondContact O-N 2.8Å; F123-I127 VanDerWaalsContact O-N 3.13Å
124	E	92.7	Very high	92.6	Very high	139 Å²	139	73 Å²	73	65%	0.65	37%	0.367	S	S	*	.	H	α-helix	trans	-59.7	-39.2	179.3	-64.1	177.5	-172.9	0	0	112.5	L122 R126 I127 K128	L122-E124 PolarHBondContact O-N 3.25Å; E124-R126 VanDerWaalsContact C-N 3.31Å; E124-R126 PolarHBondContact O-N 2.87Å; E124-I127 PolarHBondContact O-N 2.77Å; E124-K128 WeakPolarHBondContact O-CG 3.47Å; E124-K128 PolarHBondContact O-N 2.98Å
125	D	92	Very high	92.4	Very high	54 Å²	54	75.5 Å²	75.5	29%	0.289	38%	0.376	S	S	.	.	H	α-helix	trans	-71	-29.5	178.9	-61.8	-36.1	0	0	0	112.3	L122 F123 K128 K129	L122-D125 PolarHBondContact O-N 3.28Å; F123-D125 VanDerWaalsContact C-N 3.3Å; F123-D125 PolarHBondContact O-N 3.1Å; D125-K128 IonicContact OD1-NZ 3.72Å; D125-K128 PolarHBondContact OD1-NZ 3.48Å; D125-K129 WeakPolarHBondContact O-CG 3.5Å; D125-K129 PolarHBondContact O-N 3.4Å; D125-K129 VanDerWaalsContact O-N 3.15Å
126	R	93.4	Very high	92.2	Very high	82 Å²	82	71.5 Å²	71.5	31%	0.309	36%	0.361	S	S	.	.	H	α-helix	trans	-65.5	-41.5	171	-63.5	169	-176.6	-112.2	2.4	110.7	V114 L121 L122 F123 E124 K129 I130	V114-R126 HydrophobicContact CB-CB 4.33Å; V114-R126 HydrophobicContact CB-CG 4.24Å; V114-R126 HydrophobicContact CG2-CB 4.3Å; V114-R126 PolarHBondContact O-NH1 2.92Å; L121-R126 HydrophobicContact CB-CG 3.94Å; L121-R126 HydrophobicContact CD1-CG 4.3Å; L121-R126 PolarHBondContact O-NE 3.27Å; L122-R126 WeakPolarHBondContact O-CG 3.29Å; L122-R126 PolarHBondContact O-N 3.28Å; F123-R126 WeakPolarHBondContact O-CB 3.45Å; F123-R126 PolarHBondContact O-N 3.32Å; F123-R126 VanDerWaalsContact O-N 3.11Å; E124-R126 VanDerWaalsContact C-N 3.31Å; E124-R126 PolarHBondContact O-N 2.87Å; R126-K129 PolarHBondContact O-N 3.4Å; R126-I130 WeakPolarHBondContact O-CG1 3.19Å; R126-I130 PolarHBondContact O-N 3.06Å; R126-I130 VanDerWaalsContact O-N 3.09Å
127	I	92.9	Very high	92.1	Very high	65 Å²	65	74.2 Å²	74.2	33%	0.333	38%	0.38	S	S	.	.	H	α-helix	trans	-63.5	-48	176.8	-60.1	-56.5	0	0	0	110.6	F123 E124 K129 I130 D131	F123-I127 HydrophobicContact CD1-CG1 4.26Å; F123-I127 HydrophobicContact CE1-CD1 4.14Å; F123-I127 HydrophobicContact CE1-CG1 3.85Å; F123-I127 HydrophobicContact CE2-CD1 4.41Å; F123-I127 HydrophobicContact CZ-CD1 3.88Å; F123-I127 HydrophobicContact CZ-CG1 4.1Å; F123-I127 PolarHBondContact O-N 2.8Å; F123-I127 VanDerWaalsContact O-N 3.13Å; E124-I127 PolarHBondContact O-N 2.77Å; I127-K129 PolarHBondContact O-N 3.11Å; I127-I130 HydrophobicContact CD1-CD1 4.49Å; I127-I130 CarbonylContact O-C 3.55Å; I127-I130 WeakPolarHBondContact O-CA 3.41Å; I127-I130 WeakPolarHBondContact O-CB 3.36Å; I127-I130 PolarHBondContact O-N 3.18Å; I127-D131 PolarHBondContact O-N 3.36Å
128	K	93.9	Very high	91.9	Very high	124 Å²	124	74.9 Å²	74.9	54%	0.539	38%	0.383	S	S	.	.	H	α-helix	trans	-54.2	-39.5	175.9	-67.4	173	-163.7	156.1	0	112.8	E124 D125 A132	E124-K128 WeakPolarHBondContact O-CG 3.47Å; E124-K128 PolarHBondContact O-N 2.98Å; D125-K128 IonicContact OD1-NZ 3.72Å; D125-K128 PolarHBondContact OD1-NZ 3.48Å; K128-A132 WeakPolarHBondContact O-CB 3.38Å; K128-A132 PolarHBondContact O-N 3.37Å
129	K	93.7	Very high	91.8	Very high	31 Å²	31	79.3 Å²	79.3	14%	0.135	40%	0.402	C	S	.	.	H	α-helix	trans	-68.6	-34.7	177.2	-74.4	172.2	-176.7	-75.8	0	112.7	V114 L121 D125 R126 I127 L153 E155	V114-K129 HydrophobicContact CG1-CD 4.06Å; V114-K129 HydrophobicContact CG2-CB 4.4Å; L121-K129 HydrophobicContact CD1-CD 3.72Å; D125-K129 WeakPolarHBondContact O-CG 3.5Å; D125-K129 PolarHBondContact O-N 3.4Å; D125-K129 VanDerWaalsContact O-N 3.15Å; R126-K129 PolarHBondContact O-N 3.4Å; I127-K129 PolarHBondContact O-N 3.11Å; K129-L153 HydrophobicContact CB-CD2 3.91Å; K129-E155 WeakPolarHBondContact CE-OE2 3.12Å; K129-E155 IonicContact NZ-OE1 2.96Å; K129-E155 PolarHBondContact NZ-OE1 2.63Å; K129-E155 IonicContact NZ-OE2 2.88Å; K129-E155 PolarHBondContact NZ-OE2 2.84Å
130	I	93.4	Very high	91.7	Very high	46 Å²	46	77.1 Å²	77.1	24%	0.236	40%	0.396	C	S	.	.	H	α-helix	trans	-70.5	-46	174.7	-66.7	165.6	0	0	0	110.1	I112 V114 R126 I127 A132 L133	I112-I130 HydrophobicContact CB-CG1 4.28Å; I112-I130 HydrophobicContact CB-CG2 4.29Å; I112-I130 HydrophobicContact CD1-CG2 4.26Å; I112-I130 HydrophobicContact CG2-CG1 4.08Å; I112-I130 WeakPolarHBondContact O-CD1 3.45Å; V114-I130 HydrophobicContact CG2-CD1 4.15Å; V114-I130 HydrophobicContact CG2-CG1 3.8Å; R126-I130 WeakPolarHBondContact O-CG1 3.19Å; R126-I130 PolarHBondContact O-N 3.06Å; R126-I130 VanDerWaalsContact O-N 3.09Å; I127-I130 HydrophobicContact CD1-CD1 4.49Å; I127-I130 CarbonylContact O-C 3.55Å; I127-I130 WeakPolarHBondContact O-CA 3.41Å; I127-I130 WeakPolarHBondContact O-CB 3.36Å; I127-I130 PolarHBondContact O-N 3.18Å; I130-A132 PolarHBondContact O-N 3Å; I130-L133 VanDerWaalsContact O-CB 3.3Å; I130-L133 WeakPolarHBondContact O-CB 3.39Å; I130-L133 PolarHBondContact O-N 2.87Å
131	D	93	Very high	91.8	Very high	104 Å²	104	74.9 Å²	74.9	56%	0.556	38%	0.382	S	S	*	.	H	α-helix	trans	-60.9	-32.8	178.5	-63.3	-19.6	0	0	0	111.7	I127 L133 D134	I127-D131 PolarHBondContact O-N 3.36Å; D131-L133 PolarHBondContact O-N 2.73Å; D131-L133 VanDerWaalsContact O-N 3.07Å; D131-D134 WeakPolarHBondContact O-CB 3.29Å; D131-D134 PolarHBondContact O-N 2.99Å; D131-D134 VanDerWaalsContact O-N 3.15Å
132	A	92.9	Very high	92	Very high	54 Å²	54	78.9 Å²	78.9	45%	0.446	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-11.5	174.3	0	0	0	0	0	114.1	K128 I130 Y135	K128-A132 WeakPolarHBondContact O-CB 3.38Å; K128-A132 PolarHBondContact O-N 3.37Å; I130-A132 PolarHBondContact O-N 3Å; A132-Y135 WeakPolarHBondContact O-CD1 3.42Å; A132-Y135 WeakPolarHBondContact O-CE1 3.31Å
133	L	93.4	Very high	92	Very high	5 Å²	5	74.5 Å²	74.5	3%	0.026	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	8.9	177.4	-58.2	172	0	0	0	113.6	I112 I130 D131 Y135 L136 F173	I112-L133 HydrophobicContact CD1-CD1 4.48Å; I112-L133 HydrophobicContact CG2-CD1 4.3Å; I130-L133 VanDerWaalsContact O-CB 3.3Å; I130-L133 WeakPolarHBondContact O-CB 3.39Å; I130-L133 PolarHBondContact O-N 2.87Å; D131-L133 PolarHBondContact O-N 2.73Å; D131-L133 VanDerWaalsContact O-N 3.07Å; L133-Y135 HydrophobicContact CD2-CE1 4.26Å; L133-Y135 PolarHBondContact O-N 3.08Å; L133-L136 HydrophobicContact CB-CD1 4.28Å; L133-L136 WeakPolarHBondContact O-CB 3.35Å; L133-L136 PolarHBondContact O-N 3.19Å; L133-F173 HydrophobicContact CD1-CD2 3.87Å; L133-F173 HydrophobicContact CD1-CE2 3.55Å; L133-F173 HydrophobicContact CD1-CZ 4.41Å
134	D	91.1	Very high	92.1	Very high	147 Å²	147	73.7 Å²	73.7	79%	0.786	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-16	-179.4	-172.7	49.5	0	0	0	114.4	D131 L136	D131-D134 WeakPolarHBondContact O-CB 3.29Å; D131-D134 PolarHBondContact O-N 2.99Å; D131-D134 VanDerWaalsContact O-N 3.15Å; D134-L136 PolarHBondContact O-N 3.46Å
135	Y	90.8	Very high	92	Very high	59 Å²	59	76 Å²	76	23%	0.231	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-9.4	172.9	63.2	-96.5	0	0	0	114	R89 L92 A132 L133	R89-Y135 HydrophobicContact CB-CE1 4.36Å; R89-Y135 HydrophobicContact CB-CE2 4.2Å; R89-Y135 HydrophobicContact CG-CD1 4.49Å; R89-Y135 HydrophobicContact CG-CD2 4.08Å; R89-Y135 HydrophobicContact CG-CE1 4.2Å; R89-Y135 HydrophobicContact CG-CE2 3.77Å; R89-Y135 HydrophobicContact CG-CG 4.43Å; L92-Y135 HydrophobicContact CD1-CE2 4.2Å; L92-Y135 WeakPolarHBondContact CD1-OH 3.49Å; A132-Y135 WeakPolarHBondContact O-CD1 3.42Å; A132-Y135 WeakPolarHBondContact O-CE1 3.31Å; L133-Y135 HydrophobicContact CD2-CE1 4.26Å; L133-Y135 PolarHBondContact O-N 3.08Å
136	L	91.3	Very high	92	Very high	12 Å²	12	80.1 Å²	80.1	6%	0.063	42%	0.419	C	S	.	.	S	Bend	trans	-83.3	135.6	175.6	-67.6	177.2	0	0	0	110.4	L92 M100 M104 L133 D134 F138 F173	L92-L136 HydrophobicContact CB-CD2 4.25Å; L92-L136 HydrophobicContact CD1-CD1 4.41Å; L92-L136 HydrophobicContact CD1-CD2 4.38Å; M100-L136 HydrophobicContact CE-CD2 4.08Å; M104-L136 HydrophobicContact CE-CB 4.06Å; L133-L136 HydrophobicContact CB-CD1 4.28Å; L133-L136 WeakPolarHBondContact O-CB 3.35Å; L133-L136 PolarHBondContact O-N 3.19Å; D134-L136 PolarHBondContact O-N 3.46Å; L136-F138 HydrophobicContact CB-CD2 3.74Å; L136-F138 HydrophobicContact CB-CE2 3.7Å; L136-F138 HydrophobicContact CD1-CE2 3.71Å; L136-F138 HydrophobicContact CD1-CZ 4.44Å; L136-F138 HydrophobicContact CG-CE2 4.37Å; L136-F138 PolarHBondContact O-N 3.31Å; L136-F173 HydrophobicContact CD1-CD1 4.37Å; L136-F173 HydrophobicContact CD1-CE1 3.76Å; L136-F173 HydrophobicContact CD1-CZ 3.88Å
137	P	90	Very high	92.1	Very high	91 Å²	91	77.5 Å²	77.5	59%	0.591	41%	0.412	S	S	*	.			trans	-77.8	57.6	-173.3	33.8	-39.2	0	0	0	113.1	M104 E139	M104-P137 HydrophobicContact CE-CG 3.98Å; M104-P137 HydrophobicContact SD-CG 4.38Å; P137-E139 PolarHBondContact O-N 2.87Å
138	F	90.1	Very high	92.2	Very high	36 Å²	36	80.3 Å²	80.3	16%	0.158	42%	0.424	C	S	.	.			trans	-76.3	111.5	175.5	-75.4	-72.2	0	0	0	110.2	W79 M104 Y110 I112 L136 F151 F173	W79-F138 HydrophobicContact CZ3-CZ 4.46Å; M104-F138 HydrophobicContact CB-CD1 4.13Å; M104-F138 HydrophobicContact CE-CB 4.14Å; M104-F138 HydrophobicContact CE-CD1 3.37Å; M104-F138 HydrophobicContact CE-CD2 3.56Å; M104-F138 HydrophobicContact CE-CE1 3.49Å; M104-F138 VanDerWaalsContact CE-CE1 3.49Å; M104-F138 HydrophobicContact CE-CE2 3.69Å; M104-F138 HydrophobicContact CE-CG 3.4Å; M104-F138 HydrophobicContact CE-CZ 3.66Å; M104-F138 HydrophobicContact CG-CD1 3.75Å; M104-F138 HydrophobicContact CG-CE1 3.68Å; M104-F138 HydrophobicContact SD-CD1 4.37Å; M104-F138 HydrophobicContact SD-CE1 4.19Å; Y110-F138 HydrophobicContact CD1-CD1 4.31Å; Y110-F138 HydrophobicContact CD2-CD1 4.18Å; Y110-F138 HydrophobicContact CD2-CE1 4.29Å; Y110-F138 HydrophobicContact CE1-CB 3.99Å; Y110-F138 HydrophobicContact CE1-CD1 4.17Å; Y110-F138 HydrophobicContact CE1-CG 4.29Å; Y110-F138 HydrophobicContact CE2-CB 4.43Å; Y110-F138 HydrophobicContact CE2-CD1 4.03Å; Y110-F138 HydrophobicContact CE2-CD2 4.43Å; Y110-F138 HydrophobicContact CE2-CE1 4.42Å; Y110-F138 HydrophobicContact CE2-CG 4.06Å; Y110-F138 HydrophobicContact CG-CD1 4.33Å; Y110-F138 AromaticContact CZ-CG 3.86Å; I112-F138 HydrophobicContact CD1-CE2 3.97Å; I112-F138 HydrophobicContact CD1-CZ 4.39Å; L136-F138 HydrophobicContact CB-CD2 3.74Å; L136-F138 HydrophobicContact CB-CE2 3.7Å; L136-F138 HydrophobicContact CD1-CE2 3.71Å; L136-F138 HydrophobicContact CD1-CZ 4.44Å; L136-F138 HydrophobicContact CG-CE2 4.37Å; L136-F138 PolarHBondContact O-N 3.31Å; F138-F151 HydrophobicContact CD1-CE2 4.36Å; F138-F151 AromaticContact CE1-CD2 3.71Å; F138-F151 HydrophobicContact CE1-CD2 3.71Å; F138-F151 HydrophobicContact CE1-CE1 4.39Å; F138-F151 AromaticContact CE1-CE2 3.39Å; F138-F151 HydrophobicContact CE1-CE2 3.39Å; F138-F151 HydrophobicContact CE1-CG 4.32Å; F138-F151 AromaticContact CE1-CZ 3.76Å; F138-F151 HydrophobicContact CE1-CZ 3.76Å; F138-F151 HydrophobicContact CZ-CD1 4.45Å; F138-F151 AromaticContact CZ-CD2 3.89Å; F138-F151 HydrophobicContact CZ-CD2 3.89Å; F138-F151 HydrophobicContact CZ-CE2 4.01Å; F138-F151 HydrophobicContact CZ-CG 4.11Å; F138-F151 HydrophobicContact CZ-CZ 4.35Å; F138-F173 HydrophobicContact CE2-CZ 4.39Å; F138-F173 HydrophobicContact CZ-CZ 4.19Å
139	E	89.8	Confident	92.3	Very high	133 Å²	133	76.3 Å²	76.3	62%	0.621	41%	0.407	S	S	*	.			trans	-98.2	-13.7	174.4	-59.6	-174.1	172.2	0	0	113	M104 K106 P137	M104-E139 WeakPolarHBondContact O-CB 3.34Å; M104-E139 PolarHBondContact O-N 2.95Å; K106-E139 WeakPolarHBondContact CA-O 3.34Å; K106-E139 HydrophobicContact CB-CB 4.15Å; P137-E139 PolarHBondContact O-N 2.87Å
140	G	88.8	Confident	92.4	Very high	13 Å²	13	76 Å²	76	13%	0.134	41%	0.407	C	S	.	.	S	Bend	trans	-67.4	174.9	-179.7	0	0	0	0	0	114.2	M104 Q105 S108 Y110	M104-G140 PolarHBondContact O-N 2.96Å; Q105-G140 VanDerWaalsContact O-CA 3.3Å; Q105-G140 WeakPolarHBondContact O-CA 3.4Å; S108-G140 WeakPolarHBondContact O-CA 3.28Å; Y110-G140 WeakPolarHBondContact CE1-O 3.48Å
141	T	92.9	Very high	92.6	Very high	87 Å²	87	73.9 Å²	73.9	53%	0.534	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	141.4	179.2	56.1	0	0	0	0	112	S108 S109 Y110 S143	S108-T141 PolarHBondContact O-N 2.81Å; S108-T141 PolarHBondContact O-OG1 2.82Å; S109-T141 CarbonylContact C-O 3.59Å; S109-T141 WeakPolarHBondContact CA-O 3.32Å; Y110-T141 PolarHBondContact N-O 3.42Å; T141-S143 PolarHBondContact O-N 3.15Å
142	V	93.3	Very high	92.8	Very high	99 Å²	99	69 Å²	69	60%	0.6	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.6	123.5	178.2	179.2	0	0	0	0	110.5	Y110 L144	Y110-V142 HydrophobicContact CE1-CG2 4.22Å; Y110-V142 HydrophobicContact CE2-CG2 4.31Å; Y110-V142 CarbonylContact O-C 3.5Å; Y110-V142 WeakPolarHBondContact O-CA 3.42Å; V142-L144 HydrophobicContact CG1-CD2 4.22Å
143	S	93.7	Very high	93.1	Very high	31 Å²	31	66.4 Å²	66.4	22%	0.217	35%	0.349	C	S	.	.			trans	-130	108.9	176.3	176.9	0	0	0	0	110.8	Y110 T141 N146 P147	Y110-S143 PolarHBondContact O-N 2.82Å; T141-S143 PolarHBondContact O-N 3.15Å; S143-N146 PolarHBondContact OG-N 2.89Å; S143-N146 PolarHBondContact OG-O 2.98Å; S143-P147 WeakPolarHBondContact O-CB 3.43Å
144	L	91	Very high	93.2	Very high	136 Å²	136	66.2 Å²	66.2	71%	0.712	35%	0.347	S	S	*	.	S	Bend	trans	-77	-29.5	-177	-60.6	-179.5	0	0	0	113.5	R111 V142	R111-L144 PolarHBondContact NH1-O 2.84Å; V142-L144 HydrophobicContact CG1-CD2 4.22Å
145	K	90.8	Very high	93.5	Very high	188 Å²	188	59.2 Å²	59.2	82%	0.817	31%	0.31	S	S	*	.	S	Bend	trans	-88.6	-56.6	-175.2	-68.7	-175.2	178.9	179.7	0	112
146	N	92.1	Very high	93.7	Very high	139 Å²	139	57.3 Å²	57.3	74%	0.743	30%	0.304	S	S	*	.	S	Bend	trans	-130.1	72.5	-173.4	-63.3	-20.3	0	0	0	109.9	S143	S143-N146 PolarHBondContact OG-N 2.89Å; S143-N146 PolarHBondContact OG-O 2.98Å
147	P	94.7	Very high	93.8	Very high	27 Å²	27	57 Å²	57	18%	0.175	30%	0.302	C	S	.	.			trans	-76.7	150.8	173.3	33.2	-36.5	0	0	0	111.1	R111 S143 I150	R111-P147 HydrophobicContact CB-CB 4.35Å; R111-P147 HydrophobicContact CB-CG 4.41Å; R111-P147 HydrophobicContact CG-CB 4.18Å; R111-P147 HydrophobicContact CG-CG 3.82Å; S143-P147 WeakPolarHBondContact O-CB 3.43Å; P147-I150 HydrophobicContact CG-CD1 4.34Å; P147-I150 HydrophobicContact CG-CG1 3.75Å
148	Q	95.3	Very high	93.9	Very high	124 Å²	124	53.4 Å²	53.4	58%	0.579	28%	0.281	S	S	*	.	S	Bend	trans	-78.9	-33.6	167.1	-71.4	169.3	-51.8	0	0	111.7	S109	S109-Q148 WeakPolarHBondContact O-CA 3.46Å; S109-Q148 WeakPolarHBondContact O-CB 3.37Å; S109-Q148 PolarHBondContact O-N 3.17Å; S109-Q148 PolarHBondContact OG-N 2.94Å; S109-Q148 VanDerWaalsContact OG-N 3.12Å
149	H	95.8	Very high	93.8	Very high	40 Å²	40	55.2 Å²	55.2	19%	0.185	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133.6	-179.4	-54.5	-48.7	0	0	0	111.3	Y103 S109 Y110 R111 F151	Y103-H149 AromaticContact CD1-CE1 3.72Å; Y103-H149 AromaticContact CD1-ND1 3.76Å; Y103-H149 PolarHBondContact O-CD2 3.22Å; Y103-H149 VanDerWaalsContact O-CD2 3.32Å; S109-H149 PolarHBondContact O-N 2.78Å; Y110-H149 CarbonylContact C-O 3.59Å; Y110-H149 WeakPolarHBondContact CA-O 3.41Å; Y110-H149 WeakPolarHBondContact CB-O 3.38Å; R111-H149 PolarHBondContact N-O 3.24Å; H149-F151 HydrophobicContact CB-CE2 3.74Å; H149-F151 HydrophobicContact CB-CZ 3.86Å
150	I	97.1	Very high	93.8	Very high	26 Å²	26	52.3 Å²	52.3	13%	0.133	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.8	177.7	-59.2	166.4	0	0	0	107.2	R111 P147 W176	R111-I150 HydrophobicContact CG-CG1 4.17Å; R111-I150 HydrophobicContact CG-CG2 4.23Å; P147-I150 HydrophobicContact CG-CD1 4.34Å; P147-I150 HydrophobicContact CG-CG1 3.75Å; I150-W176 HydrophobicContact CB-CB 3.91Å; I150-W176 HydrophobicContact CB-CG 4.45Å; I150-W176 HydrophobicContact CD1-CD2 4.41Å; I150-W176 HydrophobicContact CD1-CE3 4.12Å; I150-W176 HydrophobicContact CD1-CZ3 4.49Å; I150-W176 HydrophobicContact CG2-CB 3.96Å; I150-W176 HydrophobicContact CG2-CG 4.45Å; I150-W176 WeakPolarHBondContact O-CB 3.49Å; I150-W176 PolarHBondContact O-N 3.31Å
151	F	97.3	Very high	93.7	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	152.2	172.5	-56.4	-77.8	0	0	0	109.6	W79 Y110 R111 I112 N113 F138 H149 F173 G174 R175	W79-F151 HydrophobicContact CE3-CD1 4.45Å; W79-F151 HydrophobicContact CE3-CE1 4.42Å; W79-F151 AromaticContact CH2-CD1 3.92Å; W79-F151 HydrophobicContact CH2-CD1 3.92Å; W79-F151 AromaticContact CH2-CE1 3.13Å; W79-F151 HydrophobicContact CH2-CE1 3.13Å; W79-F151 AromaticContact CH2-CZ 3.81Å; W79-F151 HydrophobicContact CH2-CZ 3.81Å; W79-F151 HydrophobicContact CZ2-CD1 4.43Å; W79-F151 AromaticContact CZ2-CE1 3.66Å; W79-F151 HydrophobicContact CZ2-CE1 3.66Å; W79-F151 AromaticContact CZ3-CD1 3.89Å; W79-F151 HydrophobicContact CZ3-CD1 3.89Å; W79-F151 AromaticContact CZ3-CE1 3.54Å; W79-F151 HydrophobicContact CZ3-CE1 3.54Å; W79-F151 HydrophobicContact CZ3-CZ 4.32Å; Y110-F151 HydrophobicContact CD2-CD2 4.1Å; Y110-F151 HydrophobicContact CD2-CE2 4.31Å; Y110-F151 HydrophobicContact CG-CD2 4.46Å; Y110-F151 HydrophobicContact CG-CE2 4.26Å; R111-F151 PolarHBondContact O-N 3.44Å; I112-F151 CarbonylContact C-O 3.57Å; I112-F151 WeakPolarHBondContact CA-O 3.35Å; I112-F151 HydrophobicContact CG1-CB 4.21Å; N113-F151 PolarHBondContact N-O 2.94Å; F138-F151 HydrophobicContact CD1-CE2 4.36Å; F138-F151 AromaticContact CE1-CD2 3.71Å; F138-F151 HydrophobicContact CE1-CD2 3.71Å; F138-F151 HydrophobicContact CE1-CE1 4.39Å; F138-F151 AromaticContact CE1-CE2 3.39Å; F138-F151 HydrophobicContact CE1-CE2 3.39Å; F138-F151 HydrophobicContact CE1-CG 4.32Å; F138-F151 AromaticContact CE1-CZ 3.76Å; F138-F151 HydrophobicContact CE1-CZ 3.76Å; F138-F151 HydrophobicContact CZ-CD1 4.45Å; F138-F151 AromaticContact CZ-CD2 3.89Å; F138-F151 HydrophobicContact CZ-CD2 3.89Å; F138-F151 HydrophobicContact CZ-CE2 4.01Å; F138-F151 HydrophobicContact CZ-CG 4.11Å; F138-F151 HydrophobicContact CZ-CZ 4.35Å; H149-F151 HydrophobicContact CB-CE2 3.74Å; H149-F151 HydrophobicContact CB-CZ 3.86Å; F151-F173 HydrophobicContact CB-CE1 4.47Å; F151-F173 HydrophobicContact CB-CE2 4.2Å; F151-F173 HydrophobicContact CB-CZ 3.76Å; F151-F173 HydrophobicContact CD1-CZ 4.5Å; F151-F173 HydrophobicContact CG-CZ 4.28Å; F151-G174 WeakPolarHBondContact CA-O 3.31Å; F151-R175 HydrophobicContact CD1-CB 3.98Å; F151-R175 HydrophobicContact CD1-CG 4.35Å; F151-R175 HydrophobicContact CE1-CB 3.86Å; F151-R175 HydrophobicContact CE1-CG 3.95Å
152	C	97.5	Very high	93.5	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.007	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	128.7	-177.3	-67.6	0	0	0	0	110.8	F76 N113 Y115 L154 F173 G174	F76-C152 HydrophobicContact CD1-CB 3.94Å; F76-C152 HydrophobicContact CE1-CB 3.59Å; F76-C152 WeakPolarHBondContact CE1-SG 3.45Å; F76-C152 HydrophobicContact CZ-CB 4.25Å; N113-C152 CarbonylContact O-C 3.59Å; N113-C152 VanDerWaalsContact O-CA 3.28Å; N113-C152 WeakPolarHBondContact O-CA 3.5Å; Y115-C152 HydrophobicContact CD2-CB 4.17Å; Y115-C152 HydrophobicContact CE2-CB 4.4Å; Y115-C152 VanDerWaalsContact CE2-SG 3.56Å; C152-L154 HydrophobicContact CB-CD1 3.82Å; C152-L154 HydrophobicContact CB-CG 4.27Å; C152-F173 WeakPolarHBondContact O-CA 3.48Å; C152-G174 PolarHBondContact N-O 3.09Å; C152-G174 PolarHBondContact O-N 3.3Å; C152-G174 VanDerWaalsContact O-N 3.12Å
153	L	97.6	Very high	93.4	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	119.4	160.5	-174.7	72	0	0	0	107.5	L88 N113 V114 Y115 K129 I171 Y172 F173	L88-L153 HydrophobicContact CD2-CD1 3.84Å; N113-L153 PolarHBondContact O-N 2.94Å; V114-L153 WeakPolarHBondContact CA-O 3.21Å; V114-L153 HydrophobicContact CG1-CD2 4.4Å; V114-L153 HydrophobicContact CG2-CB 4.37Å; V114-L153 HydrophobicContact CG2-CD2 4.42Å; Y115-L153 PolarHBondContact N-O 3.36Å; K129-L153 HydrophobicContact CB-CD2 3.91Å; L153-I171 HydrophobicContact CD1-CG2 3.53Å; L153-I171 HydrophobicContact CG-CG2 4.24Å; L153-Y172 CarbonylContact C-O 3.59Å; L153-Y172 WeakPolarHBondContact CA-O 3.3Å; L153-F173 HydrophobicContact CB-CD2 4.21Å; L153-F173 HydrophobicContact CD1-CB 4.36Å; L153-F173 HydrophobicContact CD1-CD2 4.16Å
154	L	97.3	Very high	93.3	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.3	-179.8	-52.8	99.1	0	0	0	109.9	L13 H15 F51 F76 Y115 C152 I171 Y172	L13-L154 HydrophobicContact CD2-CD1 4Å; H15-L154 HydrophobicContact CB-CD2 4.37Å; F51-L154 HydrophobicContact CD1-CD2 4.33Å; F51-L154 HydrophobicContact CE1-CB 3.98Å; F51-L154 HydrophobicContact CE1-CD2 3.52Å; F51-L154 HydrophobicContact CE1-CG 4.39Å; F51-L154 HydrophobicContact CZ-CB 3.98Å; F51-L154 HydrophobicContact CZ-CD2 4.2Å; F76-L154 HydrophobicContact CD2-CD1 4.29Å; F76-L154 HydrophobicContact CD2-CD2 4.2Å; F76-L154 HydrophobicContact CE2-CD1 4.36Å; F76-L154 HydrophobicContact CE2-CD2 3.6Å; F76-L154 HydrophobicContact CG-CD1 4.45Å; F76-L154 HydrophobicContact CZ-CD2 3.95Å; Y115-L154 CarbonylContact O-C 3.57Å; Y115-L154 VanDerWaalsContact O-CA 3.3Å; Y115-L154 WeakPolarHBondContact O-CA 3.37Å; C152-L154 HydrophobicContact CB-CD1 3.82Å; C152-L154 HydrophobicContact CB-CG 4.27Å; L154-I171 CarbonylContact O-C 3.59Å; L154-I171 WeakPolarHBondContact O-CA 3.39Å; L154-Y172 HydrophobicContact CB-CD2 4.46Å; L154-Y172 PolarHBondContact N-O 2.87Å; L154-Y172 PolarHBondContact O-N 2.93Å
155	E	96.1	Very high	93.4	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	128.1	-177.4	-60.6	-173.6	142.6	0	0	111	Y115 T116 F117 K129 Y157 P168 I171	Y115-E155 PolarHBondContact O-N 3.15Å; T116-E155 WeakPolarHBondContact CA-O 3.32Å; T116-E155 HydrophobicContact CG2-CB 4.13Å; F117-E155 PolarHBondContact N-O 3.31Å; K129-E155 WeakPolarHBondContact CE-OE2 3.12Å; K129-E155 IonicContact NZ-OE1 2.96Å; K129-E155 PolarHBondContact NZ-OE1 2.63Å; K129-E155 IonicContact NZ-OE2 2.88Å; K129-E155 PolarHBondContact NZ-OE2 2.84Å; E155-Y157 HydrophobicContact CB-CD2 4.22Å; E155-Y157 HydrophobicContact CB-CE2 3.66Å; E155-Y157 PolarHBondContact OE2-OH 2.88Å; E155-P168 HydrophobicContact CB-CB 3.89Å; E155-P168 HydrophobicContact CB-CG 4.35Å; E155-P168 HydrophobicContact CG-CB 4.44Å; E155-P168 HydrophobicContact CG-CG 4.37Å; E155-I171 HydrophobicContact CG-CG2 4.18Å
156	D	95.1	Very high	93.4	Very high	19 Å²	19	55.4 Å²	55.4	10%	0.102	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	110	177.5	-170.5	-8.1	0	0	0	110.4	F51 G158 P168 N169 Y170	F51-D156 HydrophobicContact CD2-CB 3.91Å; F51-D156 HydrophobicContact CE2-CB 3.82Å; D156-G158 VanDerWaalsContact C-N 3.34Å; D156-G158 WeakPolarHBondContact OD1-CA 3.44Å; D156-G158 PolarHBondContact OD1-N 2.93Å; D156-P168 CarbonylContact O-C 3.54Å; D156-P168 WeakPolarHBondContact O-CA 3.31Å; D156-N169 WeakPolarHBondContact O-CB 2.99Å; D156-N169 PolarHBondContact O-N 2.78Å; D156-Y170 PolarHBondContact N-O 3.31Å; D156-Y170 PolarHBondContact O-N 3.4Å
157	Y	94.3	Very high	93.3	Very high	7 Å²	7	55.1 Å²	55.1	3%	0.027	29%	0.293	C	S	.	.			trans	-95.2	18.5	174.7	-68.1	-95.2	0	0	0	112.9	T116 F117 K119 E155 I164 P165 H167 P168	T116-Y157 HydrophobicContact CG2-CE2 3.93Å; F117-Y157 WeakPolarHBondContact O-CB 3.14Å; F117-Y157 PolarHBondContact O-N 2.74Å; K119-Y157 HydrophobicContact CB-CD1 4.34Å; K119-Y157 HydrophobicContact CB-CD2 3.63Å; K119-Y157 HydrophobicContact CB-CE2 3.98Å; K119-Y157 HydrophobicContact CB-CG 3.82Å; K119-Y157 HydrophobicContact CD-CD1 3.54Å; K119-Y157 HydrophobicContact CD-CD2 4.03Å; K119-Y157 HydrophobicContact CD-CE1 3.31Å; K119-Y157 HydrophobicContact CD-CE2 3.81Å; K119-Y157 HydrophobicContact CD-CG 3.9Å; K119-Y157 VanDerWaalsContact CD-CZ 3.45Å; K119-Y157 HydrophobicContact CG-CD2 4.48Å; K119-Y157 HydrophobicContact CG-CE2 4.47Å; E155-Y157 HydrophobicContact CB-CD2 4.22Å; E155-Y157 HydrophobicContact CB-CE2 3.66Å; E155-Y157 PolarHBondContact OE2-OH 2.88Å; Y157-I164 HydrophobicContact CD1-CG2 4.31Å; Y157-I164 HydrophobicContact CG-CG2 4.44Å; Y157-P165 HydrophobicContact CD1-CG 4.14Å; Y157-P165 WeakPolarHBondContact CD1-O 3.18Å; Y157-P165 WeakPolarHBondContact O-CD 3.24Å; Y157-P165 WeakPolarHBondContact O-CG 3.48Å; Y157-H167 VanDerWaalsContact CE1-C 3.47Å; Y157-P168 HydrophobicContact CD1-CB 4.35Å; Y157-P168 HydrophobicContact CD2-CB 4.3Å; Y157-P168 HydrophobicContact CE1-CB 4.06Å; Y157-P168 VanDerWaalsContact CE1-N 3.32Å; Y157-P168 HydrophobicContact CE2-CB 4.02Å; Y157-P168 HydrophobicContact CG-CB 4.47Å
158	G	91.3	Very high	93.3	Very high	15 Å²	15	54.5 Å²	54.5	16%	0.155	29%	0.289	C	S	.	.			trans	76.7	-176.3	-178.9	0	0	0	0	0	113.2	F117 N118 D156 N169	F117-G158 VanDerWaalsContact CD1-O 3.32Å; F117-G158 WeakPolarHBondContact CD1-O 3.4Å; F117-G158 WeakPolarHBondContact CE1-O 3.47Å; N118-G158 WeakPolarHBondContact CB-O 3.38Å; N118-G158 VanDerWaalsContact CG-O 3.31Å; N118-G158 PolarHBondContact ND2-O 2.84Å; D156-G158 VanDerWaalsContact C-N 3.34Å; D156-G158 WeakPolarHBondContact OD1-CA 3.44Å; D156-G158 PolarHBondContact OD1-N 2.93Å; G158-N169 WeakPolarHBondContact CA-ND2 3.4Å; G158-N169 PolarHBondContact N-ND2 3.39Å
159	T	88.1	Confident	93.2	Very high	74 Å²	74	52.7 Å²	52.7	45%	0.454	28%	0.283	S	S	.	.	S	Bend	trans	-103.8	-6.4	-169.1	54.5	0	0	0	0	114.8	Q48 F117 P161	Q48-T159 WeakPolarHBondContact O-CG2 3.38Å; F117-T159 HydrophobicContact CE1-CG2 3.99Å; F117-T159 HydrophobicContact CZ-CG2 4.42Å; T159-P161 WeakPolarHBondContact O-CD 3.43Å
160	D	88.9	Confident	93.2	Very high	71 Å²	71	53.7 Å²	53.7	38%	0.38	29%	0.286	S	S	.	.			trans	-88	107.5	179.7	-173.8	-5	0	0	0	110.6	N118 N162 N163	N118-D160 VanDerWaalsContact ND2-C 3.29Å; N118-D160 PolarHBondContact ND2-O 2.75Å; D160-N162 PolarHBondContact O-N 2.9Å; D160-N162 WeakPolarHBondContact OD1-CB 3.28Å; D160-N162 PolarHBondContact OD1-N 3.43Å; D160-N163 HydrophobicContact CB-CB 4.46Å; D160-N163 PolarHBondContact O-N 2.77Å; D160-N163 PolarHBondContact OD1-N 3.27Å; D160-N163 WeakPolarHBondContact OD2-CB 3.35Å
161	P	86.7	Confident	93.2	Very high	82 Å²	82	52.5 Å²	52.5	53%	0.532	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-16.4	-179.9	31.8	-36.6	0	0	0	113	N118 T159	N118-P161 WeakPolarHBondContact OD1-CA 3.48Å; T159-P161 WeakPolarHBondContact O-CD 3.43Å
162	N	90.5	Very high	93.2	Very high	152 Å²	152	53.5 Å²	53.5	81%	0.813	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-14	-179.3	-58.9	-53.6	0	0	0	112.6	D160	D160-N162 PolarHBondContact O-N 2.9Å; D160-N162 WeakPolarHBondContact OD1-CB 3.28Å; D160-N162 PolarHBondContact OD1-N 3.43Å
163	N	90.6	Very high	93.2	Very high	120 Å²	120	53.4 Å²	53.4	64%	0.642	28%	0.283	S	S	*	.	S	Bend	trans	-136.6	62.8	-178.5	-168.9	21.6	0	0	0	110.7	D160 P165	D160-N163 HydrophobicContact CB-CB 4.46Å; D160-N163 PolarHBondContact O-N 2.77Å; D160-N163 PolarHBondContact OD1-N 3.27Å; D160-N163 WeakPolarHBondContact OD2-CB 3.35Å; N163-P165 WeakPolarHBondContact O-CD 3.19Å
164	I	91.4	Very high	93.2	Very high	73 Å²	73	53.4 Å²	53.4	37%	0.374	28%	0.283	S	S	.	.			trans	-75	121.9	-179.2	-57	164.2	0	0	0	108.8	N118 K119 Y157	N118-I164 WeakPolarHBondContact O-CD1 3.48Å; N118-I164 WeakPolarHBondContact O-CG1 3.37Å; N118-I164 WeakPolarHBondContact O-CG2 3.36Å; K119-I164 HydrophobicContact CB-CG2 4.11Å; K119-I164 HydrophobicContact CD-CG2 4.06Å; K119-I164 HydrophobicContact CG-CG2 4.13Å; Y157-I164 HydrophobicContact CD1-CG2 4.31Å; Y157-I164 HydrophobicContact CG-CG2 4.44Å
165	P	92.7	Very high	93.2	Very high	39 Å²	39	54.3 Å²	54.3	25%	0.253	29%	0.287	S	S	.	.			trans	-66.9	156	-179.7	26.6	-32.2	0	0	0	112.3	K119 Y157 N163 H167	K119-P165 PolarHBondContact NZ-O 3.05Å; K119-P165 VanDerWaalsContact NZ-O 3.11Å; Y157-P165 HydrophobicContact CD1-CG 4.14Å; Y157-P165 WeakPolarHBondContact CD1-O 3.18Å; Y157-P165 WeakPolarHBondContact O-CD 3.24Å; Y157-P165 WeakPolarHBondContact O-CG 3.48Å; N163-P165 WeakPolarHBondContact O-CD 3.19Å; P165-H167 WeakPolarHBondContact CB-O 3.42Å; P165-H167 WeakPolarHBondContact CG-O 3.42Å
166	E	90.1	Very high	93.3	Very high	154 Å²	154	58 Å²	58	72%	0.72	30%	0.301	S	S	*	.	S	Bend	trans	-63.9	-45.9	177.2	-172.9	173.8	178.9	0	0	111	K119	K119-E166 PolarHBondContact NZ-O 3.01Å
167	H	91.6	Very high	93.4	Very high	133 Å²	133	57.9 Å²	57.9	62%	0.616	30%	0.3	S	S	*	.	S	Bend	trans	-105.9	151.7	176.9	-57.5	-50.5	0	0	0	111.2	Y157 P165	Y157-H167 VanDerWaalsContact CE1-C 3.47Å; P165-H167 WeakPolarHBondContact CB-O 3.42Å; P165-H167 WeakPolarHBondContact CG-O 3.42Å
168	P	94.1	Very high	93.5	Very high	13 Å²	13	58.4 Å²	58.4	8%	0.084	31%	0.305	C	S	.	.			trans	-66.8	145.2	176.3	29.8	-34.6	0	0	0	110.6	E155 D156 Y157 I171	E155-P168 HydrophobicContact CB-CB 3.89Å; E155-P168 HydrophobicContact CB-CG 4.35Å; E155-P168 HydrophobicContact CG-CB 4.44Å; E155-P168 HydrophobicContact CG-CG 4.37Å; D156-P168 CarbonylContact O-C 3.54Å; D156-P168 WeakPolarHBondContact O-CA 3.31Å; Y157-P168 HydrophobicContact CD1-CB 4.35Å; Y157-P168 HydrophobicContact CD2-CB 4.3Å; Y157-P168 HydrophobicContact CE1-CB 4.06Å; Y157-P168 VanDerWaalsContact CE1-N 3.32Å; Y157-P168 HydrophobicContact CE2-CB 4.02Å; Y157-P168 HydrophobicContact CG-CB 4.47Å; P168-I171 HydrophobicContact CB-CG1 4.17Å; P168-I171 HydrophobicContact CG-CD1 3.74Å; P168-I171 HydrophobicContact CG-CG1 3.52Å
169	N	94.1	Very high	93.8	Very high	86 Å²	86	62 Å²	62	46%	0.46	32%	0.321	S	S	.	.	S	Bend	trans	-69.9	-28.1	173.2	-62.2	-35.6	0	0	0	111.4	D156 G158	D156-N169 WeakPolarHBondContact O-CB 2.99Å; D156-N169 PolarHBondContact O-N 2.78Å; G158-N169 WeakPolarHBondContact CA-ND2 3.4Å; G158-N169 PolarHBondContact N-ND2 3.39Å
170	Y	95.5	Very high	94.3	Very high	61 Å²	61	58.7 Å²	58.7	24%	0.239	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	147.9	178.8	-141.5	-94.3	0	0	0	111.7	H81 Q83 D156 Y172	H81-Y170 HydrophobicContact CB-CE1 3.8Å; H81-Y170 PolarHBondContact CE1-OH 3.4Å; H81-Y170 VanDerWaalsContact CE1-OH 3.31Å; H81-Y170 AromaticContact CG-CE1 3.95Å; H81-Y170 AromaticContact ND1-CE1 3.43Å; H81-Y170 WeakPolarHBondContact ND1-CE1 3.35Å; H81-Y170 AromaticContact ND1-CZ 3.49Å; H81-Y170 PolarHBondContact ND1-OH 2.95Å; Q83-Y170 HydrophobicContact CG-CD2 3.67Å; Q83-Y170 HydrophobicContact CG-CE2 3.68Å; D156-Y170 PolarHBondContact N-O 3.31Å; D156-Y170 PolarHBondContact O-N 3.4Å; Y170-Y172 HydrophobicContact CD1-CD1 4.07Å; Y170-Y172 HydrophobicContact CD1-CD2 4.11Å; Y170-Y172 AromaticContact CD1-CE1 3.46Å; Y170-Y172 HydrophobicContact CD1-CE1 3.46Å; Y170-Y172 VanDerWaalsContact CD1-CE1 3.46Å; Y170-Y172 AromaticContact CD1-CE2 3.51Å; Y170-Y172 HydrophobicContact CD1-CE2 3.51Å; Y170-Y172 HydrophobicContact CD1-CG 4.36Å; Y170-Y172 AromaticContact CD1-CZ 3.14Å; Y170-Y172 VanDerWaalsContact CD1-OH 3.28Å; Y170-Y172 WeakPolarHBondContact CD1-OH 3.45Å; Y170-Y172 HydrophobicContact CE1-CD1 4.07Å; Y170-Y172 AromaticContact CE1-CE1 3.44Å; Y170-Y172 HydrophobicContact CE1-CE1 3.44Å; Y170-Y172 VanDerWaalsContact CE1-CE1 3.44Å; Y170-Y172 HydrophobicContact CE1-CE2 4.36Å; Y170-Y172 AromaticContact CE1-CZ 3.61Å; Y170-Y172 HydrophobicContact CG-CE2 4.25Å
171	I	96.9	Very high	94.7	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.01	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	138.1	-178.9	-46.7	172.1	0	0	0	109	H81 G82 L88 L153 L154 E155 P168	H81-I171 CarbonylContact C-O 3.6Å; H81-I171 WeakPolarHBondContact CA-O 3.36Å; H81-I171 WeakPolarHBondContact CB-O 3.43Å; G82-I171 PolarHBondContact N-O 3.23Å; G82-I171 PolarHBondContact O-N 3.48Å; L88-I171 HydrophobicContact CD2-CB 4.37Å; L88-I171 HydrophobicContact CD2-CG2 3.68Å; L153-I171 HydrophobicContact CD1-CG2 3.53Å; L153-I171 HydrophobicContact CG-CG2 4.24Å; L154-I171 CarbonylContact O-C 3.59Å; L154-I171 WeakPolarHBondContact O-CA 3.39Å; E155-I171 HydrophobicContact CG-CG2 4.18Å; P168-I171 HydrophobicContact CB-CG1 4.17Å; P168-I171 HydrophobicContact CG-CD1 3.74Å; P168-I171 HydrophobicContact CG-CG1 3.52Å
172	Y	97.5	Very high	95.1	Very high	20 Å²	20	57 Å²	57	8%	0.078	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	146.2	176.4	-50.8	-95	0	0	0	109.7	L13 F51 L78 H81 L153 L154 Y170	L13-Y172 HydrophobicContact CD1-CD1 3.75Å; L13-Y172 HydrophobicContact CD1-CE1 3.8Å; L13-Y172 HydrophobicContact CD1-CG 4.27Å; L13-Y172 HydrophobicContact CD2-CD1 3.93Å; L13-Y172 HydrophobicContact CD2-CD2 4.25Å; L13-Y172 HydrophobicContact CD2-CG 3.68Å; L13-Y172 HydrophobicContact CG-CD1 4.48Å; F51-Y172 HydrophobicContact CB-CE2 3.94Å; F51-Y172 HydrophobicContact CD2-CD2 4.24Å; F51-Y172 AromaticContact CD2-CE2 3.69Å; F51-Y172 HydrophobicContact CD2-CE2 3.69Å; F51-Y172 HydrophobicContact CE2-CE2 4.43Å; F51-Y172 HydrophobicContact CG-CD2 4.3Å; F51-Y172 AromaticContact CG-CE2 3.87Å; F51-Y172 HydrophobicContact CG-CE2 3.87Å; L78-Y172 HydrophobicContact CD1-CD1 4.1Å; L78-Y172 HydrophobicContact CD2-CD1 4.39Å; H81-Y172 HydrophobicContact CB-CD1 3.59Å; H81-Y172 HydrophobicContact CB-CE1 4.2Å; H81-Y172 HydrophobicContact CB-CG 4.27Å; L153-Y172 CarbonylContact C-O 3.59Å; L153-Y172 WeakPolarHBondContact CA-O 3.3Å; L154-Y172 HydrophobicContact CB-CD2 4.46Å; L154-Y172 PolarHBondContact N-O 2.87Å; L154-Y172 PolarHBondContact O-N 2.93Å; Y170-Y172 HydrophobicContact CD1-CD1 4.07Å; Y170-Y172 HydrophobicContact CD1-CD2 4.11Å; Y170-Y172 AromaticContact CD1-CE1 3.46Å; Y170-Y172 HydrophobicContact CD1-CE1 3.46Å; Y170-Y172 VanDerWaalsContact CD1-CE1 3.46Å; Y170-Y172 AromaticContact CD1-CE2 3.51Å; Y170-Y172 HydrophobicContact CD1-CE2 3.51Å; Y170-Y172 HydrophobicContact CD1-CG 4.36Å; Y170-Y172 AromaticContact CD1-CZ 3.14Å; Y170-Y172 VanDerWaalsContact CD1-OH 3.28Å; Y170-Y172 WeakPolarHBondContact CD1-OH 3.45Å; Y170-Y172 HydrophobicContact CE1-CD1 4.07Å; Y170-Y172 AromaticContact CE1-CE1 3.44Å; Y170-Y172 HydrophobicContact CE1-CE1 3.44Å; Y170-Y172 VanDerWaalsContact CE1-CE1 3.44Å; Y170-Y172 HydrophobicContact CE1-CE2 4.36Å; Y170-Y172 AromaticContact CE1-CZ 3.61Å; Y170-Y172 HydrophobicContact CG-CE2 4.25Å
173	F	97.8	Very high	95.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	134.3	170.5	-174.6	-91.9	0	0	0	110.3	W79 G80 L88 L92 I112 L133 L136 F138 F151 C152 L153	W79-F173 HydrophobicContact CB-CD1 4.46Å; W79-F173 HydrophobicContact CE3-CD1 4.18Å; W79-F173 AromaticContact CE3-CE1 3.76Å; W79-F173 HydrophobicContact CE3-CE1 3.76Å; W79-F173 HydrophobicContact CZ3-CE1 4.22Å; W79-F173 PolarHBondContact N-O 2.85Å; G80-F173 PolarHBondContact N-O 2.63Å; G80-F173 VanDerWaalsContact N-O 3.09Å; G80-F173 PolarHBondContact O-N 3.15Å; L88-F173 HydrophobicContact CD1-CB 3.96Å; L92-F173 HydrophobicContact CD1-CB 4.18Å; L92-F173 HydrophobicContact CD1-CD1 4.29Å; L92-F173 HydrophobicContact CD1-CG 4.34Å; L92-F173 HydrophobicContact CD2-CB 4.11Å; L92-F173 HydrophobicContact CD2-CD1 3.59Å; L92-F173 HydrophobicContact CD2-CE1 4.47Å; L92-F173 HydrophobicContact CD2-CG 4.22Å; I112-F173 HydrophobicContact CG2-CE2 4.07Å; L133-F173 HydrophobicContact CD1-CD2 3.87Å; L133-F173 HydrophobicContact CD1-CE2 3.55Å; L133-F173 HydrophobicContact CD1-CZ 4.41Å; L136-F173 HydrophobicContact CD1-CD1 4.37Å; L136-F173 HydrophobicContact CD1-CE1 3.76Å; L136-F173 HydrophobicContact CD1-CZ 3.88Å; F138-F173 HydrophobicContact CE2-CZ 4.39Å; F138-F173 HydrophobicContact CZ-CZ 4.19Å; F151-F173 HydrophobicContact CB-CE1 4.47Å; F151-F173 HydrophobicContact CB-CE2 4.2Å; F151-F173 HydrophobicContact CB-CZ 3.76Å; F151-F173 HydrophobicContact CD1-CZ 4.5Å; F151-F173 HydrophobicContact CG-CZ 4.28Å; C152-F173 WeakPolarHBondContact O-CA 3.48Å; L153-F173 HydrophobicContact CB-CD2 4.21Å; L153-F173 HydrophobicContact CD1-CB 4.36Å; L153-F173 HydrophobicContact CD1-CD2 4.16Å
174	G	97	Very high	95.6	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.4	170.7	-177.6	0	0	0	0	0	114.4	E77 F151 C152	E77-G174 CarbonylContact O-C 3.57Å; E77-G174 WeakPolarHBondContact O-CA 3.36Å; F151-G174 WeakPolarHBondContact CA-O 3.31Å; C152-G174 PolarHBondContact N-O 3.09Å; C152-G174 PolarHBondContact O-N 3.3Å; C152-G174 VanDerWaalsContact O-N 3.12Å
175	R	96.8	Very high	95.8	Very high	18 Å²	18	47 Å²	47	7%	0.068	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	129.3	175.4	-178.3	179.6	62.4	95.7	-6.9	109.6	E59 F76 E77 W79 Y103 F151 I177	E59-R175 IonicContact OE1-NH1 3.58Å; E59-R175 IonicContact OE1-NH2 3.2Å; E59-R175 IonicContact OE2-CZ 3.56Å; E59-R175 IonicContact OE2-NH1 2.75Å; E59-R175 IonicContact OE2-NH2 3.97Å; E59-R175 PolarHBondContact OE2-NH2 3.45Å; F76-R175 CarbonylContact C-O 3.56Å; F76-R175 WeakPolarHBondContact CA-O 3.21Å; E77-R175 HydrophobicContact CB-CB 4.4Å; E77-R175 PolarHBondContact N-O 3.3Å; E77-R175 PolarHBondContact O-N 3.44Å; E77-R175 IonicContact OE2-CZ 3.86Å; E77-R175 IonicContact OE2-NE 2.73Å; E77-R175 PolarHBondContact OE2-NE 3.15Å; E77-R175 IonicContact OE2-NH2 3.26Å; E77-R175 PolarHBondContact OE2-NH2 2.71Å; W79-R175 HydrophobicContact CZ2-CB 4.03Å; Y103-R175 VanDerWaalsContact CZ-CZ 3.44Å; Y103-R175 PolarHBondContact OH-NH2 3.32Å; F151-R175 HydrophobicContact CD1-CB 3.98Å; F151-R175 HydrophobicContact CD1-CG 4.35Å; F151-R175 HydrophobicContact CE1-CB 3.86Å; F151-R175 HydrophobicContact CE1-CG 3.95Å; R175-I177 VanDerWaalsContact CZ-CD1 3.4Å; R175-I177 VanDerWaalsContact NH1-CD1 3.33Å
176	W	97.9	Very high	95.9	Very high	79 Å²	79	54.4 Å²	54.4	30%	0.299	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	135.5	174.8	175	87.2	0	0	0	111.1	F76 I150 D179	F76-W176 HydrophobicContact CD1-CB 4.02Å; F76-W176 HydrophobicContact CE1-CB 3.98Å; F76-W176 AromaticContact CE1-CD1 3.8Å; F76-W176 HydrophobicContact CE1-CG 4.31Å; I150-W176 HydrophobicContact CB-CB 3.91Å; I150-W176 HydrophobicContact CB-CG 4.45Å; I150-W176 HydrophobicContact CD1-CD2 4.41Å; I150-W176 HydrophobicContact CD1-CE3 4.12Å; I150-W176 HydrophobicContact CD1-CZ3 4.49Å; I150-W176 HydrophobicContact CG2-CB 3.96Å; I150-W176 HydrophobicContact CG2-CG 4.45Å; I150-W176 WeakPolarHBondContact O-CB 3.49Å; I150-W176 PolarHBondContact O-N 3.31Å; W176-D179 PolarHBondContact NE1-OD1 3.35Å
177	I	97.3	Very high	96.1	Very high	16 Å²	16	49.8 Å²	49.8	8%	0.082	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-56.3	179.9	-58.1	-55.9	0	0	0	110.5	Y12 E59 V62 C63 A75 E77 R175	Y12-I177 HydrophobicContact CD1-CG1 4.45Å; Y12-I177 HydrophobicContact CE1-CG1 4.41Å; E59-I177 HydrophobicContact CG-CD1 4.21Å; E59-I177 HydrophobicContact CG-CG2 3.84Å; V62-I177 HydrophobicContact CG1-CB 4.39Å; V62-I177 HydrophobicContact CG1-CG2 3.98Å; C63-I177 VanDerWaalsContact SG-CG2 3.53Å; A75-I177 PolarHBondContact O-N 3.26Å; E77-I177 HydrophobicContact CB-CD1 3.94Å; E77-I177 HydrophobicContact CB-CG1 4.26Å; R175-I177 VanDerWaalsContact CZ-CD1 3.4Å; R175-I177 VanDerWaalsContact NH1-CD1 3.33Å
178	A	97.5	Very high	96.3	Very high	17 Å²	17	44.2 Å²	44.2	14%	0.14	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	155.5	-176.2	0	0	0	0	0	111.7	M66 S74 A75	M66-A178 HydrophobicContact CB-CB 3.68Å; M66-A178 HydrophobicContact CG-CB 4.09Å; S74-A178 CarbonylContact C-O 3.48Å; S74-A178 WeakPolarHBondContact CA-O 3.47Å; A75-A178 PolarHBondContact N-O 2.77Å
179	D	97.7	Very high	96.4	Very high	90 Å²	90	45 Å²	45	48%	0.481	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	152.6	168.7	-67.5	-33.2	0	0	0	110.8	K73 S74 W176	K73-D179 WeakPolarHBondContact O-CA 3.38Å; S74-D179 WeakPolarHBondContact CB-OD1 3.48Å; W176-D179 PolarHBondContact NE1-OD1 3.35Å
180	G	97.4	Very high	96.3	Very high	5 Å²	5	42.6 Å²	42.6	5%	0.052	20%	0.201	C	C	.	.			trans	-80.3	166.8	173.8	0	0	0	0	0	111.9	M66 A72 K73 R182	M66-G180 VanDerWaalsContact CE-CA 3.49Å; M66-G180 WeakPolarHBondContact O-CA 3.15Å; A72-G180 WeakPolarHBondContact O-CA 3.16Å; K73-G180 PolarHBondContact O-N 2.91Å; G180-R182 PolarHBondContact O-N 3.15Å
181	Q	97.5	Very high	96	Very high	50 Å²	50	48 Å²	48	23%	0.234	23%	0.225	C	C	.	.	S	Bend	trans	-84.6	38.6	-174.1	-60.5	-62.5	-72.1	0	0	113.5	A67 S69 V70 E183 L184	A67-Q181 WeakPolarHBondContact O-CG 3.36Å; S69-Q181 PolarHBondContact O-N 3.42Å; V70-Q181 HydrophobicContact CG1-CB 4.38Å; Q181-E183 VanDerWaalsContact C-OE2 3.24Å; Q181-E183 WeakPolarHBondContact CA-OE1 3.45Å; Q181-E183 WeakPolarHBondContact CA-OE2 3.44Å; Q181-E183 PolarHBondContact O-N 3.48Å; Q181-E183 PolarHBondContact OE1-OE1 3Å; Q181-L184 HydrophobicContact CB-CD1 3.59Å; Q181-L184 HydrophobicContact CB-CG 3.91Å; Q181-L184 HydrophobicContact CG-CD1 4.3Å; Q181-L184 VanDerWaalsContact O-CB 3.25Å; Q181-L184 WeakPolarHBondContact O-CB 3.4Å; Q181-L184 WeakPolarHBondContact O-CG 3.41Å; Q181-L184 PolarHBondContact O-N 2.89Å; Q181-L184 VanDerWaalsContact O-N 3.09Å
182	R	94.6	Very high	95.6	Very high	67 Å²	67	52.4 Å²	52.4	25%	0.253	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-20.7	-175.3	-73.6	-168.2	63.7	92.8	-8.3	113.3	A17 D19 V70 G180 L184 I185	A17-R182 VanDerWaalsContact CB-CZ 3.48Å; D19-R182 IonicContact OD1-CZ 3.19Å; D19-R182 IonicContact OD1-NH1 3.95Å; D19-R182 PolarHBondContact OD1-NH1 3.03Å; D19-R182 IonicContact OD1-NH2 2.76Å; D19-R182 IonicContact OD2-CZ 3.65Å; D19-R182 IonicContact OD2-NH1 3.77Å; D19-R182 PolarHBondContact OD2-NH1 2.91Å; D19-R182 IonicContact OD2-NH2 2.64Å; D19-R182 PolarHBondContact OD2-NH2 3.15Å; V70-R182 VanDerWaalsContact O-CG 3.31Å; V70-R182 WeakPolarHBondContact O-CG 3.44Å; V70-R182 PolarHBondContact O-NH1 3.2Å; G180-R182 PolarHBondContact O-N 3.15Å; R182-L184 PolarHBondContact O-N 3.3Å; R182-I185 WeakPolarHBondContact O-CB 3.25Å; R182-I185 PolarHBondContact O-N 3.43Å
183	E	95.4	Very high	95.4	Very high	83 Å²	83	51.5 Å²	51.5	39%	0.388	25%	0.246	S	C	.	.	H	α-helix	trans	-63.1	-22.7	172.1	74.6	-62.3	144.5	0	0	113.1	Q181 I185 R186 S187	Q181-E183 VanDerWaalsContact C-OE2 3.24Å; Q181-E183 WeakPolarHBondContact CA-OE1 3.45Å; Q181-E183 WeakPolarHBondContact CA-OE2 3.44Å; Q181-E183 PolarHBondContact O-N 3.48Å; Q181-E183 PolarHBondContact OE1-OE1 3Å; E183-I185 VanDerWaalsContact C-N 3.27Å; E183-I185 PolarHBondContact O-N 3.31Å; E183-R186 PolarHBondContact O-N 2.97Å; E183-S187 PolarHBondContact O-N 2.89Å; E183-S187 PolarHBondContact O-OG 3.27Å
184	L	96.3	Very high	95	Very high	9 Å²	9	55.3 Å²	55.3	5%	0.047	26%	0.263	C	S	.	.	H	α-helix	trans	-59.9	-37.5	173.2	-63.5	-177.8	0	0	0	112.1	Q181 R182 R186 S187 Y188 F207 H237	Q181-L184 HydrophobicContact CB-CD1 3.59Å; Q181-L184 HydrophobicContact CB-CG 3.91Å; Q181-L184 HydrophobicContact CG-CD1 4.3Å; Q181-L184 VanDerWaalsContact O-CB 3.25Å; Q181-L184 WeakPolarHBondContact O-CB 3.4Å; Q181-L184 WeakPolarHBondContact O-CG 3.41Å; Q181-L184 PolarHBondContact O-N 2.89Å; Q181-L184 VanDerWaalsContact O-N 3.09Å; R182-L184 PolarHBondContact O-N 3.3Å; L184-R186 PolarHBondContact O-N 3.49Å; L184-S187 VanDerWaalsContact CA-OG 3.31Å; L184-S187 WeakPolarHBondContact CA-OG 3.31Å; L184-S187 PolarHBondContact O-N 3.1Å; L184-S187 PolarHBondContact O-OG 3.28Å; L184-Y188 HydrophobicContact CB-CD2 4.43Å; L184-Y188 HydrophobicContact CD2-CD2 4.22Å; L184-Y188 HydrophobicContact CD2-CE2 3.88Å; L184-Y188 WeakPolarHBondContact O-CB 3.34Å; L184-Y188 WeakPolarHBondContact O-CD2 3.17Å; L184-Y188 PolarHBondContact O-N 2.79Å; L184-F207 HydrophobicContact CB-CD2 3.94Å; L184-F207 HydrophobicContact CB-CE2 3.61Å; L184-F207 HydrophobicContact CB-CZ 3.98Å; L184-F207 HydrophobicContact CD1-CD1 4.11Å; L184-F207 HydrophobicContact CD1-CE1 3.88Å; L184-F207 HydrophobicContact CD1-CE2 4.34Å; L184-F207 HydrophobicContact CD1-CG 4.44Å; L184-F207 HydrophobicContact CD1-CZ 4.01Å; L184-F207 HydrophobicContact CD2-CZ 4.49Å; L184-F207 HydrophobicContact CG-CE2 4.49Å; L184-F207 HydrophobicContact CG-CZ 4.4Å; L184-H237 WeakPolarHBondContact CD1-NE2 3.5Å; L184-H237 VanDerWaalsContact CD2-CE1 3.47Å; L184-H237 WeakPolarHBondContact CD2-CE1 3.47Å
185	I	95.6	Very high	94.8	Very high	44 Å²	44	55.2 Å²	55.2	23%	0.226	26%	0.263	C	S	.	.	H	α-helix	trans	-59.1	-40	178.1	-53.4	179.1	0	0	0	110.6	V70 R182 E183 S189	V70-I185 HydrophobicContact CB-CD1 4.46Å; R182-I185 WeakPolarHBondContact O-CB 3.25Å; R182-I185 PolarHBondContact O-N 3.43Å; E183-I185 VanDerWaalsContact C-N 3.27Å; E183-I185 PolarHBondContact O-N 3.31Å; I185-S189 PolarHBondContact O-N 3.33Å
186	R	94.6	Very high	94.6	Very high	195 Å²	195	55.4 Å²	55.4	74%	0.736	27%	0.265	S	S	*	.	H	α-helix	trans	-75.9	-45.7	179.8	-173.5	-179.7	67.5	-177.5	-0.3	111.8	E183 L184 S189 N192	E183-R186 PolarHBondContact O-N 2.97Å; L184-R186 PolarHBondContact O-N 3.49Å; R186-S189 WeakPolarHBondContact O-CB 3.22Å; R186-S189 PolarHBondContact O-N 3.03Å; R186-N192 PolarHBondContact O-ND2 2.82Å
187	S	94.9	Very high	94.1	Very high	56 Å²	56	52.3 Å²	52.3	39%	0.392	26%	0.257	S	S	.	.	H	α-helix	trans	-69.7	-36	-176.4	51.9	0	0	0	0	112.6	E183 L184	E183-S187 PolarHBondContact O-N 2.89Å; E183-S187 PolarHBondContact O-OG 3.27Å; L184-S187 VanDerWaalsContact CA-OG 3.31Å; L184-S187 WeakPolarHBondContact CA-OG 3.31Å; L184-S187 PolarHBondContact O-N 3.1Å; L184-S187 PolarHBondContact O-OG 3.28Å
188	Y	96.3	Very high	93.4	Very high	17 Å²	17	56.7 Å²	56.7	7%	0.067	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	9.6	178.3	-71	-102.7	0	0	0	114	L184 V190 R193 A203 F207 V233 H237 Y279	L184-Y188 HydrophobicContact CB-CD2 4.43Å; L184-Y188 HydrophobicContact CD2-CD2 4.22Å; L184-Y188 HydrophobicContact CD2-CE2 3.88Å; L184-Y188 WeakPolarHBondContact O-CB 3.34Å; L184-Y188 WeakPolarHBondContact O-CD2 3.17Å; L184-Y188 PolarHBondContact O-N 2.79Å; Y188-V190 PolarHBondContact O-N 3.23Å; Y188-R193 PolarHBondContact O-NH2 2.97Å; Y188-R193 VanDerWaalsContact O-NH2 3.16Å; Y188-A203 WeakPolarHBondContact O-CB 3.47Å; Y188-F207 HydrophobicContact CD1-CE2 4.33Å; Y188-F207 HydrophobicContact CD1-CZ 4.03Å; Y188-F207 AromaticContact CD2-CE2 3.85Å; Y188-F207 HydrophobicContact CD2-CE2 3.85Å; Y188-F207 AromaticContact CD2-CZ 3.74Å; Y188-F207 HydrophobicContact CD2-CZ 3.74Å; Y188-F207 HydrophobicContact CE1-CZ 4.23Å; Y188-F207 HydrophobicContact CE2-CZ 4.02Å; Y188-F207 AromaticContact CG-CE2 3.74Å; Y188-F207 HydrophobicContact CG-CE2 3.74Å; Y188-F207 AromaticContact CG-CZ 3.77Å; Y188-F207 HydrophobicContact CG-CZ 3.77Å; Y188-V233 HydrophobicContact CD1-CG1 3.53Å; Y188-V233 HydrophobicContact CE1-CG1 3.64Å; Y188-H237 AromaticContact CE2-ND1 3.92Å; Y188-H237 AromaticContact CZ-ND1 3.54Å; Y188-H237 PolarHBondContact OH-ND1 3.47Å; Y188-Y279 AromaticContact CD1-CD1 3.72Å; Y188-Y279 HydrophobicContact CD1-CD1 3.72Å; Y188-Y279 AromaticContact CD1-CD2 3.78Å; Y188-Y279 HydrophobicContact CD1-CD2 3.78Å; Y188-Y279 AromaticContact CD1-CE1 3.66Å; Y188-Y279 HydrophobicContact CD1-CE1 3.66Å; Y188-Y279 AromaticContact CD1-CE2 3.75Å; Y188-Y279 HydrophobicContact CD1-CE2 3.75Å; Y188-Y279 AromaticContact CD1-CG 3.79Å; Y188-Y279 HydrophobicContact CD1-CG 3.79Å; Y188-Y279 AromaticContact CD1-CZ 3.68Å; Y188-Y279 HydrophobicContact CD2-CE1 4.5Å; Y188-Y279 AromaticContact CE1-CD1 3.41Å; Y188-Y279 HydrophobicContact CE1-CD1 3.41Å; Y188-Y279 VanDerWaalsContact CE1-CD1 3.41Å; Y188-Y279 AromaticContact CE1-CD2 3.56Å; Y188-Y279 HydrophobicContact CE1-CD2 3.56Å; Y188-Y279 AromaticContact CE1-CE1 3.89Å; Y188-Y279 HydrophobicContact CE1-CE1 3.89Å; Y188-Y279 HydrophobicContact CE1-CE2 4.04Å; Y188-Y279 AromaticContact CE1-CG 3.23Å; Y188-Y279 HydrophobicContact CE1-CG 3.23Å; Y188-Y279 HydrophobicContact CE2-CD1 4.26Å; Y188-Y279 HydrophobicContact CG-CD1 4.29Å; Y188-Y279 AromaticContact CG-CE1 4Å; Y188-Y279 HydrophobicContact CG-CE1 4Å; Y188-Y279 AromaticContact CZ-CD1 3.68Å; Y188-Y279 AromaticContact CZ-CG 3.8Å
189	S	95	Very high	92.8	Very high	30 Å²	30	58.7 Å²	58.7	21%	0.21	29%	0.292	C	S	.	.			trans	-50.2	135.3	-179.9	-177.9	0	0	0	0	111.3	I185 R186 K191 N192 R193	I185-S189 PolarHBondContact O-N 3.33Å; R186-S189 WeakPolarHBondContact O-CB 3.22Å; R186-S189 PolarHBondContact O-N 3.03Å; S189-K191 PolarHBondContact O-N 2.99Å; S189-N192 PolarHBondContact O-N 3.18Å; S189-R193 PolarHBondContact O-N 2.85Å
190	V	92.3	Very high	92.4	Very high	34 Å²	34	55.4 Å²	55.4	21%	0.206	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-53.2	-31.6	178.5	-179.7	0	0	0	0	111.8	Y188 N192 R193 I196 M201	Y188-V190 PolarHBondContact O-N 3.23Å; V190-N192 PolarHBondContact O-N 3.39Å; V190-R193 PolarHBondContact O-N 3.25Å; V190-I196 HydrophobicContact CG1-CB 4.39Å; V190-I196 HydrophobicContact CG1-CG2 3.88Å; V190-I196 WeakPolarHBondContact O-CG2 3.16Å; V190-M201 WeakPolarHBondContact CG2-O 3.41Å
191	K	89.8	Confident	92.2	Very high	174 Å²	174	55.7 Å²	55.7	76%	0.757	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-60.4	-32.5	177.9	-65.1	-179.1	-179	177.1	0	113.1	S189	S189-K191 PolarHBondContact O-N 2.99Å
192	N	89.3	Confident	92.1	Very high	95 Å²	95	56.5 Å²	56.5	51%	0.508	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-98.6	-10.1	-174.4	-59.1	-23.6	0	0	0	112.8	R186 S189 V190 Q278	R186-N192 PolarHBondContact O-ND2 2.82Å; S189-N192 PolarHBondContact O-N 3.18Å; V190-N192 PolarHBondContact O-N 3.39Å; N192-Q278 PolarHBondContact O-NE2 3.22Å
193	R	91.6	Very high	92.2	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.008	27%	0.27	C	S	.	.			trans	-73.9	142.9	-175	-172.4	176.7	-54.4	154.7	2.5	111.2	Y188 S189 V190 F195 I196 S230 R260 N275 Y279	Y188-R193 PolarHBondContact O-NH2 2.97Å; Y188-R193 VanDerWaalsContact O-NH2 3.16Å; S189-R193 PolarHBondContact O-N 2.85Å; V190-R193 PolarHBondContact O-N 3.25Å; R193-F195 WeakPolarHBondContact CD-O 3.19Å; R193-I196 HydrophobicContact CB-CG2 3.88Å; R193-I196 HydrophobicContact CG-CG2 4.31Å; R193-S230 PolarHBondContact NH1-OG 2.83Å; R193-R260 PolarHBondContact O-NH2 2.96Å; R193-N275 WeakPolarHBondContact CD-ND2 3.41Å; R193-N275 HydrophobicContact CG-CB 4.5Å; R193-N275 WeakPolarHBondContact CG-OD1 3.46Å; R193-Y279 HydrophobicContact CG-CE2 4.42Å
194	H	91.1	Very high	92.2	Very high	79 Å²	79	49.5 Å²	49.5	37%	0.366	25%	0.253	S	S	.	.	S	Bend	trans	-64.8	-58.4	-176	-167.4	69.3	0	0	0	112.3	R260 D269 Q278	H194-R260 PolarHBondContact O-NH2 3.39Å; H194-D269 PolarHBondContact CD2-O 2.94Å; H194-D269 PolarHBondContact NE2-O 3.29Å; H194-Q278 VanDerWaalsContact CB-OE1 3.31Å
195	F	92.3	Very high	92.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.252	C	S	.	.	S	Bend	trans	-103	120.1	177.9	174.9	-123.2	0	0	0	111.5	R193 T228 T251 R266 E270 N271 I272 N275	R193-F195 WeakPolarHBondContact CD-O 3.19Å; F195-T228 HydrophobicContact CD1-CG2 4.12Å; F195-T228 HydrophobicContact CE1-CG2 3.63Å; F195-T228 HydrophobicContact CE2-CG2 4.41Å; F195-T228 HydrophobicContact CZ-CG2 3.8Å; F195-T251 HydrophobicContact CZ-CG2 4.42Å; F195-T251 VanDerWaalsContact CZ-O 3.3Å; F195-T251 WeakPolarHBondContact CZ-O 3.36Å; F195-R266 VanDerWaalsContact CD2-NH1 3.31Å; F195-E270 HydrophobicContact CB-CG 4.09Å; F195-E270 HydrophobicContact CD2-CB 4.46Å; F195-E270 HydrophobicContact CD2-CG 3.93Å; F195-E270 WeakPolarHBondContact CD2-O 3.39Å; F195-E270 WeakPolarHBondContact CE2-O 3.41Å; F195-N271 VanDerWaalsContact CB-O 3.32Å; F195-N271 WeakPolarHBondContact CB-O 3.22Å; F195-I272 HydrophobicContact CD1-CG1 4.01Å; F195-I272 HydrophobicContact CE1-CG1 3.68Å; F195-N275 WeakPolarHBondContact CB-OD1 3.48Å; F195-N275 PolarHBondContact N-OD1 3.25Å; F195-N275 PolarHBondContact O-ND2 3Å; F195-N275 PolarHBondContact O-OD1 3.27Å
196	I	92.3	Very high	92.4	Very high	21 Å²	21	47.3 Å²	47.3	11%	0.108	24%	0.241	C	C	.	.			trans	-133.1	156.8	-179.9	64.4	169.3	0	0	0	111.8	V190 R193 R260 R266	V190-I196 HydrophobicContact CG1-CB 4.39Å; V190-I196 HydrophobicContact CG1-CG2 3.88Å; V190-I196 WeakPolarHBondContact O-CG2 3.16Å; R193-I196 HydrophobicContact CB-CG2 3.88Å; R193-I196 HydrophobicContact CG-CG2 4.31Å; I196-R260 HydrophobicContact CD1-CG 3.89Å; I196-R260 HydrophobicContact CG1-CG 4.34Å; I196-R266 PolarHBondContact O-NH1 3.31Å; I196-R266 PolarHBondContact O-NH2 2.86Å
197	G	87.8	Confident	92.6	Very high	14 Å²	14	38 Å²	38	14%	0.144	21%	0.207	C	C	.	.			trans	-135.8	176.5	176.8	0	0	0	0	0	110.7	T199 S200 S259	G197-T199 PolarHBondContact O-N 3.22Å; G197-S200 PolarHBondContact N-OG 3.09Å; G197-S200 PolarHBondContact O-N 3.31Å; G197-S200 PolarHBondContact O-OG 3.25Å; G197-S259 WeakPolarHBondContact CA-OG 3.33Å
198	N	82.7	Confident	92.8	Very high	109 Å²	109	35.5 Å²	35.5	58%	0.583	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-21.4	-176.8	-62.8	-20.1	0	0	0	113.3	S259	N198-S259 PolarHBondContact N-OG 3.4Å; N198-S259 PolarHBondContact OD1-OG 3.36Å
199	T	83.6	Confident	92.9	Very high	59 Å²	59	34.8 Å²	34.8	36%	0.362	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	18.5	-177.7	50.8	0	0	0	0	112.9	G197 M201 R316 E317	G197-T199 PolarHBondContact O-N 3.22Å; T199-M201 PolarHBondContact O-N 3.31Å; T199-M201 VanDerWaalsContact O-N 3.09Å; T199-R316 HydrophobicContact CG2-CB 3.88Å; T199-E317 HydrophobicContact CG2-CG 3.62Å
200	S	90.3	Very high	93	Very high	20 Å²	20	33.4 Å²	33.4	14%	0.14	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-55.5	119.5	172.8	-66.3	0	0	0	0	110.9	G197 T228	G197-S200 PolarHBondContact N-OG 3.09Å; G197-S200 PolarHBondContact O-N 3.31Å; G197-S200 PolarHBondContact O-OG 3.25Å; S200-T228 PolarHBondContact OG-OG1 2.84Å
201	M	93.6	Very high	93.3	Very high	12 Å²	12	31.8 Å²	31.8	6%	0.059	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-60.3	144.1	177	-172.6	63.2	72.4	0	0	112.1	V190 T199 L205 S206 M209 S230 L231 D310 W373 R408	V190-M201 WeakPolarHBondContact CG2-O 3.41Å; T199-M201 PolarHBondContact O-N 3.31Å; T199-M201 VanDerWaalsContact O-N 3.09Å; M201-L205 HydrophobicContact CG-CB 4.3Å; M201-L205 HydrophobicContact SD-CB 4.05Å; M201-L205 HydrophobicContact SD-CD1 4.08Å; M201-S206 VanDerWaalsContact CG-OG 3.28Å; M201-S206 WeakPolarHBondContact CG-OG 3.1Å; M201-M209 HydrophobicContact CE-SD 4.43Å; M201-S230 PolarHBondContact N-OG 2.88Å; M201-S230 PolarHBondContact O-OG 3.04Å; M201-L231 HydrophobicContact CB-CD2 4.3Å; M201-L231 HydrophobicContact CG-CD2 4.03Å; M201-D310 HydrophobicContact CE-CB 3.65Å; M201-D310 WeakPolarHBondContact CE-OD2 3.47Å; M201-W373 VanDerWaalsContact CE-NE1 3.28Å; M201-R408 PolarHBondContact SD-NH2 2.84Å; M201-R408 VanDerWaalsContact SD-NH2 3.38Å
202	D	94.8	Very high	93.7	Very high	66 Å²	66	23.5 Å²	23.5	35%	0.353	13%	0.13	S	C	.	.	P	Polyproline II helix	trans	-58.3	146.1	171.1	173.9	-102.8	0	0	0	112.1	G204 L205 S206	D202-G204 WeakPolarHBondContact OD1-CA 3.29Å; D202-G204 PolarHBondContact OD1-N 2.92Å; D202-L205 HydrophobicContact CB-CB 4.39Å; D202-L205 HydrophobicContact CB-CD1 4.17Å; D202-L205 HydrophobicContact CB-CG 4.36Å; D202-L205 PolarHBondContact OD1-N 2.98Å; D202-L205 VanDerWaalsContact OD1-N 3.15Å; D202-S206 WeakPolarHBondContact O-CB 3.34Å; D202-S206 PolarHBondContact O-N 2.96Å; D202-S206 PolarHBondContact O-OG 3.25Å
203	A	96.1	Very high	94.2	Very high	1 Å²	1	19 Å²	19	1%	0.008	11%	0.107	C	C	.	.	H	α-helix	trans	-64.9	-46.4	-176.6	0	0	0	0	0	112.5	Y188 L205 S206 F207	Y188-A203 WeakPolarHBondContact O-CB 3.47Å; A203-L205 PolarHBondContact O-N 3.03Å; A203-S206 PolarHBondContact O-N 3.3Å; A203-F207 WeakPolarHBondContact O-CD2 3.24Å; A203-F207 PolarHBondContact O-N 3.44Å
204	G	96.9	Very high	94.4	Very high	3 Å²	3	20.8 Å²	20.8	3%	0.031	11%	0.114	C	C	.	.	H	α-helix	trans	-61.9	-47.1	-179.3	0	0	0	0	0	111.5	D202 S206 F207 I208	D202-G204 WeakPolarHBondContact OD1-CA 3.29Å; D202-G204 PolarHBondContact OD1-N 2.92Å; G204-S206 VanDerWaalsContact C-N 3.32Å; G204-S206 PolarHBondContact O-N 3.43Å; G204-F207 PolarHBondContact O-N 3.01Å; G204-I208 WeakPolarHBondContact O-CG1 3.05Å; G204-I208 PolarHBondContact O-N 2.81Å
205	L	97.4	Very high	94.8	Very high	4 Å²	4	17 Å²	17	2%	0.021	10%	0.097	C	C	.	.	H	α-helix	trans	-62.4	-37.8	175.1	-65.7	175.1	0	0	0	112.8	M201 D202 A203 F207 I208 M209 W373 R408	M201-L205 HydrophobicContact CG-CB 4.3Å; M201-L205 HydrophobicContact SD-CB 4.05Å; M201-L205 HydrophobicContact SD-CD1 4.08Å; D202-L205 HydrophobicContact CB-CB 4.39Å; D202-L205 HydrophobicContact CB-CD1 4.17Å; D202-L205 HydrophobicContact CB-CG 4.36Å; D202-L205 PolarHBondContact OD1-N 2.98Å; D202-L205 VanDerWaalsContact OD1-N 3.15Å; A203-L205 PolarHBondContact O-N 3.03Å; L205-F207 PolarHBondContact O-N 3.44Å; L205-I208 HydrophobicContact CD2-CD1 4.42Å; L205-I208 PolarHBondContact O-N 3.2Å; L205-M209 VanDerWaalsContact O-CG 3.28Å; L205-M209 WeakPolarHBondContact O-CG 3.41Å; L205-M209 PolarHBondContact O-N 3.45Å; L205-W373 HydrophobicContact CB-CZ2 4.46Å; L205-W373 HydrophobicContact CD1-CZ2 4.34Å; L205-W373 HydrophobicContact CD2-CH2 4.23Å; L205-W373 HydrophobicContact CD2-CZ2 4.1Å; L205-R408 VanDerWaalsContact CD1-NH2 3.31Å
206	S	98.3	Very high	94.9	Very high	2 Å²	2	22 Å²	22	1%	0.014	12%	0.119	C	C	.	.	H	α-helix	trans	-63	-41.9	177.5	-55.5	0	0	0	0	111.5	M201 D202 A203 G204 M209 A210 A234	M201-S206 VanDerWaalsContact CG-OG 3.28Å; M201-S206 WeakPolarHBondContact CG-OG 3.1Å; D202-S206 WeakPolarHBondContact O-CB 3.34Å; D202-S206 PolarHBondContact O-N 2.96Å; D202-S206 PolarHBondContact O-OG 3.25Å; A203-S206 PolarHBondContact O-N 3.3Å; G204-S206 VanDerWaalsContact C-N 3.32Å; G204-S206 PolarHBondContact O-N 3.43Å; S206-M209 PolarHBondContact O-N 3.1Å; S206-A210 PolarHBondContact O-N 2.91Å; S206-A234 WeakPolarHBondContact O-CB 3.42Å
207	F	98.5	Very high	95.2	Very high	1 Å²	1	26.3 Å²	26.3	0%	0.004	14%	0.142	C	C	.	.	H	α-helix	trans	-69	-38.8	175.4	-77.5	-66.4	0	0	0	113	V70 L184 Y188 A203 G204 L205 M209 A210 N211 A234 H237 F238	V70-F207 HydrophobicContact CG1-CB 3.84Å; V70-F207 HydrophobicContact CG1-CG 4.37Å; V70-F207 HydrophobicContact CG2-CB 4.08Å; L184-F207 HydrophobicContact CB-CD2 3.94Å; L184-F207 HydrophobicContact CB-CE2 3.61Å; L184-F207 HydrophobicContact CB-CZ 3.98Å; L184-F207 HydrophobicContact CD1-CD1 4.11Å; L184-F207 HydrophobicContact CD1-CE1 3.88Å; L184-F207 HydrophobicContact CD1-CE2 4.34Å; L184-F207 HydrophobicContact CD1-CG 4.44Å; L184-F207 HydrophobicContact CD1-CZ 4.01Å; L184-F207 HydrophobicContact CD2-CZ 4.49Å; L184-F207 HydrophobicContact CG-CE2 4.49Å; L184-F207 HydrophobicContact CG-CZ 4.4Å; Y188-F207 HydrophobicContact CD1-CE2 4.33Å; Y188-F207 HydrophobicContact CD1-CZ 4.03Å; Y188-F207 AromaticContact CD2-CE2 3.85Å; Y188-F207 HydrophobicContact CD2-CE2 3.85Å; Y188-F207 AromaticContact CD2-CZ 3.74Å; Y188-F207 HydrophobicContact CD2-CZ 3.74Å; Y188-F207 HydrophobicContact CE1-CZ 4.23Å; Y188-F207 HydrophobicContact CE2-CZ 4.02Å; Y188-F207 AromaticContact CG-CE2 3.74Å; Y188-F207 HydrophobicContact CG-CE2 3.74Å; Y188-F207 AromaticContact CG-CZ 3.77Å; Y188-F207 HydrophobicContact CG-CZ 3.77Å; A203-F207 WeakPolarHBondContact O-CD2 3.24Å; A203-F207 PolarHBondContact O-N 3.44Å; G204-F207 PolarHBondContact O-N 3.01Å; L205-F207 PolarHBondContact O-N 3.44Å; F207-M209 VanDerWaalsContact C-N 3.31Å; F207-M209 PolarHBondContact O-N 3.45Å; F207-A210 PolarHBondContact O-N 3.47Å; F207-N211 PolarHBondContact O-N 3.49Å; F207-A234 HydrophobicContact CD1-CB 3.95Å; F207-A234 HydrophobicContact CE1-CB 4.09Å; F207-A234 HydrophobicContact CG-CB 4.28Å; F207-H237 HydrophobicContact CE1-CB 3.68Å; F207-H237 AromaticContact CE1-CD2 3.64Å; F207-H237 AromaticContact CE1-CG 3.66Å; F207-H237 HydrophobicContact CZ-CB 4.21Å; F207-F238 AromaticContact CD1-CE2 3.72Å; F207-F238 HydrophobicContact CD1-CE2 3.72Å; F207-F238 AromaticContact CD1-CZ 3.9Å; F207-F238 HydrophobicContact CD1-CZ 3.9Å; F207-F238 HydrophobicContact CE1-CE2 4.37Å; F207-F238 HydrophobicContact CE1-CZ 4.46Å
208	I	98.4	Very high	95.5	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.015	17%	0.167	C	C	.	.	H	α-helix	trans	-57.8	-47	172.1	-69.5	169.3	0	0	0	109.8	H20 F23 V70 G204 L205 A210 N211 H212 L410	H20-I208 HydrophobicContact CB-CD1 4.49Å; F23-I208 HydrophobicContact CB-CD1 4.24Å; F23-I208 HydrophobicContact CB-CG2 4.15Å; F23-I208 HydrophobicContact CD1-CG2 3.77Å; F23-I208 HydrophobicContact CG-CD1 4.48Å; F23-I208 HydrophobicContact CG-CG2 4.33Å; V70-I208 HydrophobicContact CG2-CD1 4.24Å; V70-I208 HydrophobicContact CG2-CG1 3.45Å; V70-I208 VanDerWaalsContact CG2-CG1 3.45Å; G204-I208 WeakPolarHBondContact O-CG1 3.05Å; G204-I208 PolarHBondContact O-N 2.81Å; L205-I208 HydrophobicContact CD2-CD1 4.42Å; L205-I208 PolarHBondContact O-N 3.2Å; I208-A210 PolarHBondContact O-N 3.2Å; I208-N211 PolarHBondContact O-N 3.28Å; I208-H212 PolarHBondContact O-CD2 3.45Å; I208-H212 PolarHBondContact O-N 3.16Å; I208-L410 HydrophobicContact CG2-CD2 4.16Å
209	M	98.6	Very high	96.2	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-60.8	-43.1	177.3	-70.3	-180	76.3	0	0	112.4	M201 L205 S206 F207 N211 H212 A213 L231 T309 V371 W373 L410	M201-M209 HydrophobicContact CE-SD 4.43Å; L205-M209 VanDerWaalsContact O-CG 3.28Å; L205-M209 WeakPolarHBondContact O-CG 3.41Å; L205-M209 PolarHBondContact O-N 3.45Å; S206-M209 PolarHBondContact O-N 3.1Å; F207-M209 VanDerWaalsContact C-N 3.31Å; F207-M209 PolarHBondContact O-N 3.45Å; M209-N211 VanDerWaalsContact C-N 3.3Å; M209-N211 PolarHBondContact O-N 3.07Å; M209-H212 PolarHBondContact O-N 2.86Å; M209-A213 VanDerWaalsContact O-CB 3.29Å; M209-A213 WeakPolarHBondContact O-CB 3.38Å; M209-A213 PolarHBondContact O-N 3.05Å; M209-L231 HydrophobicContact CB-CD2 4.44Å; M209-L231 HydrophobicContact CE-CD1 3.71Å; M209-L231 HydrophobicContact CE-CD2 4.13Å; M209-L231 HydrophobicContact SD-CD1 4.13Å; M209-L231 HydrophobicContact SD-CD2 3.45Å; M209-L231 WeakPolarHBondContact SD-CD2 3.33Å; M209-L231 HydrophobicContact SD-CG 4.46Å; M209-T309 WeakPolarHBondContact CE-O 3.41Å; M209-V371 HydrophobicContact CB-CG1 4.13Å; M209-V371 HydrophobicContact CE-CG1 4.08Å; M209-V371 HydrophobicContact CG-CG1 4.17Å; M209-W373 PolarHBondContact SD-NE1 3.26Å; M209-L410 HydrophobicContact CE-CD1 3.97Å; M209-L410 HydrophobicContact CG-CD1 3.7Å; M209-L410 HydrophobicContact CG-CD2 4.12Å; M209-L410 HydrophobicContact SD-CD1 4.16Å
210	A	98.6	Very high	96.9	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.008	14%	0.137	C	C	.	.	H	α-helix	trans	-62.3	-37.6	176.3	0	0	0	0	0	112.2	S206 F207 I208 A213 K214 A215 A234 F238	S206-A210 PolarHBondContact O-N 2.91Å; F207-A210 PolarHBondContact O-N 3.47Å; I208-A210 PolarHBondContact O-N 3.2Å; A210-A213 PolarHBondContact O-N 2.81Å; A210-K214 PolarHBondContact O-N 2.99Å; A210-A215 PolarHBondContact O-N 2.83Å; A210-A215 VanDerWaalsContact O-N 3.08Å; A210-A234 HydrophobicContact CB-CB 4.24Å; A210-F238 HydrophobicContact CB-CD2 3.89Å; A210-F238 HydrophobicContact CB-CE2 3.95Å
211	N	98.3	Very high	97.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-69.1	-42.9	174.5	-74.9	-23.1	0	0	0	112.1	E27 S30 L31 R68 F207 I208 M209 A213 K214 F238	E27-N211 HydrophobicContact CG-CB 3.86Å; E27-N211 PolarHBondContact OE1-ND2 2.88Å; S30-N211 WeakPolarHBondContact CB-O 3.46Å; L31-N211 HydrophobicContact CD2-CB 4.09Å; L31-N211 HydrophobicContact CG-CB 4.43Å; R68-N211 PolarHBondContact NE-OD1 3.38Å; R68-N211 PolarHBondContact NH2-OD1 2.85Å; R68-N211 PolarHBondContact O-ND2 3.17Å; F207-N211 PolarHBondContact O-N 3.49Å; I208-N211 PolarHBondContact O-N 3.28Å; M209-N211 VanDerWaalsContact C-N 3.3Å; M209-N211 PolarHBondContact O-N 3.07Å; N211-A213 VanDerWaalsContact C-N 3.26Å; N211-A213 PolarHBondContact O-N 2.8Å; N211-K214 PolarHBondContact O-N 3.49Å; N211-K214 VanDerWaalsContact O-N 3.07Å; N211-F238 VanDerWaalsContact OD1-CE2 3.31Å; N211-F238 WeakPolarHBondContact OD1-CE2 3.26Å; N211-F238 WeakPolarHBondContact OD1-CZ 3.38Å
212	H	98.4	Very high	97.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.7	-38	173	-85.8	-120.1	0	0	0	112.2	P26 I208 M209 K214 R369 V371 S396 T412	P26-H212 WeakPolarHBondContact CB-CE1 3.46Å; I208-H212 PolarHBondContact O-CD2 3.45Å; I208-H212 PolarHBondContact O-N 3.16Å; M209-H212 PolarHBondContact O-N 2.86Å; H212-K214 PolarHBondContact O-N 3.08Å; H212-R369 WeakPolarHBondContact O-CD 3.18Å; H212-R369 PolarHBondContact O-NH1 3.3Å; H212-V371 HydrophobicContact CB-CG1 4.11Å; H212-V371 HydrophobicContact CB-CG2 3.98Å; H212-S396 PolarHBondContact ND1-OG 3.31Å; H212-T412 PolarHBondContact ND1-OG1 2.75Å
213	A	98.2	Very high	97.8	Very high	2 Å²	2	22 Å²	22	2%	0.017	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-12.8	178.3	0	0	0	0	0	112.9	M209 A210 N211 A215 A306 V308 V371	M209-A213 VanDerWaalsContact O-CB 3.29Å; M209-A213 WeakPolarHBondContact O-CB 3.38Å; M209-A213 PolarHBondContact O-N 3.05Å; A210-A213 PolarHBondContact O-N 2.81Å; N211-A213 VanDerWaalsContact C-N 3.26Å; N211-A213 PolarHBondContact O-N 2.8Å; A213-A215 PolarHBondContact O-N 2.59Å; A213-A306 HydrophobicContact CB-CB 3.99Å; A213-V308 HydrophobicContact CB-CG1 3.46Å; A213-V308 VanDerWaalsContact CB-CG1 3.46Å; A213-V371 HydrophobicContact CB-CG2 3.83Å
214	K	97.5	Very high	97.8	Very high	38 Å²	38	22.3 Å²	22.3	17%	0.165	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	34.1	-170.9	-57.2	-179.6	-58.6	-166.9	0	112	A33 L34 A210 N211 H212 K216 G367 R369 E414	A33-K214 HydrophobicContact CB-CD 4.45Å; L34-K214 HydrophobicContact CD1-CB 4.46Å; L34-K214 HydrophobicContact CD2-CB 3.59Å; L34-K214 HydrophobicContact CD2-CG 4.31Å; L34-K214 WeakPolarHBondContact CD2-O 3.44Å; L34-K214 HydrophobicContact CG-CB 3.78Å; L34-K214 HydrophobicContact CG-CG 4.02Å; A210-K214 PolarHBondContact O-N 2.99Å; N211-K214 PolarHBondContact O-N 3.49Å; N211-K214 VanDerWaalsContact O-N 3.07Å; H212-K214 PolarHBondContact O-N 3.08Å; K214-K216 PolarHBondContact O-N 3.2Å; K214-G367 PolarHBondContact NZ-O 2.87Å; K214-R369 VanDerWaalsContact CE-NE 3.28Å; K214-E414 IonicContact NZ-OE2 2.77Å; K214-E414 PolarHBondContact NZ-OE2 3.41Å
215	A	97.6	Very high	97.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.119	C	C	.	.			trans	-63.9	126.8	180	0	0	0	0	0	111.1	R68 A210 A213 D219 V221 C235 A240	R68-A215 VanDerWaalsContact CZ-O 3.28Å; R68-A215 PolarHBondContact NH1-O 3.11Å; R68-A215 PolarHBondContact NH2-O 2.75Å; A210-A215 PolarHBondContact O-N 2.83Å; A210-A215 VanDerWaalsContact O-N 3.08Å; A213-A215 PolarHBondContact O-N 2.59Å; A215-D219 WeakPolarHBondContact CA-OD2 3.41Å; A215-V221 HydrophobicContact CB-CG2 4.22Å; A215-C235 HydrophobicContact CB-CB 4.22Å; A215-A240 HydrophobicContact CB-CB 4.43Å
216	K	96.1	Very high	97.7	Very high	106 Å²	106	23.8 Å²	23.8	46%	0.461	12%	0.12	S	C	.	.			trans	-143	175.1	-178.5	58	172.6	179.9	-176.9	0	111.6	L34 K214 N218 D219 F238	L34-K216 HydrophobicContact CD2-CB 4.44Å; L34-K216 HydrophobicContact CD2-CD 4.25Å; K214-K216 PolarHBondContact O-N 3.2Å; K216-N218 PolarHBondContact O-N 2.95Å; K216-D219 WeakPolarHBondContact CE-OD1 3.24Å; K216-D219 VanDerWaalsContact CG-CG 3.45Å; K216-D219 VanDerWaalsContact CG-OD1 3.29Å; K216-D219 WeakPolarHBondContact CG-OD1 3.47Å; K216-D219 WeakPolarHBondContact CG-OD2 3.38Å; K216-D219 PolarHBondContact N-OD2 2.88Å; K216-D219 VanDerWaalsContact O-CB 3.29Å; K216-D219 WeakPolarHBondContact O-CB 3.43Å; K216-D219 PolarHBondContact O-N 3.37Å; K216-D219 VanDerWaalsContact O-N 3.11Å; K216-F238 CarbonylContact C-O 3.48Å; K216-F238 VanDerWaalsContact C-O 3.23Å; K216-F238 WeakPolarHBondContact CA-O 3.45Å
217	D	96.9	Very high	97.5	Very high	111 Å²	111	24.4 Å²	24.4	59%	0.594	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.3	131.5	175.7	-65.8	5.9	0	0	0	112.2	D219 F238 G239	D217-D219 PolarHBondContact O-N 2.88Å; D217-F238 PolarHBondContact N-O 2.84Å; D217-F238 VanDerWaalsContact OD1-O 3.09Å; D217-G239 WeakPolarHBondContact CA-O 3.23Å; D217-G239 WeakPolarHBondContact OD1-CA 3.41Å
218	N	94.7	Very high	97.3	Very high	125 Å²	125	24.8 Å²	24.8	67%	0.668	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.7	0.9	-179.8	-45.5	-71	0	0	0	116.5	K216 G239	K216-N218 PolarHBondContact O-N 2.95Å; N218-G239 PolarHBondContact N-O 2.99Å
219	D	98.3	Very high	97.2	Very high	12 Å²	12	24.6 Å²	24.6	6%	0.064	13%	0.128	C	C	.	.			trans	-66.4	144.5	169.4	-73	-5.2	0	0	0	110.3	A215 K216 D217 V221 A240 Y241 D305	A215-D219 WeakPolarHBondContact CA-OD2 3.41Å; K216-D219 WeakPolarHBondContact CE-OD1 3.24Å; K216-D219 VanDerWaalsContact CG-CG 3.45Å; K216-D219 VanDerWaalsContact CG-OD1 3.29Å; K216-D219 WeakPolarHBondContact CG-OD1 3.47Å; K216-D219 WeakPolarHBondContact CG-OD2 3.38Å; K216-D219 PolarHBondContact N-OD2 2.88Å; K216-D219 VanDerWaalsContact O-CB 3.29Å; K216-D219 WeakPolarHBondContact O-CB 3.43Å; K216-D219 PolarHBondContact O-N 3.37Å; K216-D219 VanDerWaalsContact O-N 3.11Å; D217-D219 PolarHBondContact O-N 2.88Å; D219-V221 HydrophobicContact CB-CG2 4.28Å; D219-A240 HydrophobicContact CB-CB 4.09Å; D219-A240 CarbonylContact O-C 3.53Å; D219-A240 WeakPolarHBondContact O-CA 3.45Å; D219-Y241 PolarHBondContact O-N 3.29Å; D219-D305 WeakPolarHBondContact CA-OD2 3.24Å; D219-D305 HydrophobicContact CB-CB 3.74Å
220	L	98.6	Very high	97.2	Very high	48 Å²	48	24.9 Å²	24.9	25%	0.251	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	109.1	163.2	-173.2	64.8	0	0	0	109.9	V286 F304 D305	L220-V286 HydrophobicContact CD1-CG2 3.91Å; L220-F304 HydrophobicContact CD2-CD1 3.83Å; L220-F304 HydrophobicContact CD2-CE1 3.97Å; L220-F304 HydrophobicContact CG-CD1 3.92Å; L220-F304 HydrophobicContact CG-CE1 4.33Å; L220-F304 WeakPolarHBondContact O-CA 3.22Å; L220-D305 PolarHBondContact N-OD2 2.81Å; L220-D305 PolarHBondContact O-N 3.38Å
221	V	98.8	Very high	97.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	134.4	-179.4	177.2	0	0	0	0	110.9	A215 D219 C235 A240 Y241 V242 C243 A306 V308	A215-V221 HydrophobicContact CB-CG2 4.22Å; D219-V221 HydrophobicContact CB-CG2 4.28Å; V221-C235 HydrophobicContact CB-CB 4.31Å; V221-C235 HydrophobicContact CG1-CB 4.08Å; V221-C235 HydrophobicContact CG2-CB 4.29Å; V221-A240 HydrophobicContact CB-CB 4.4Å; V221-A240 HydrophobicContact CG2-CB 3.64Å; V221-Y241 PolarHBondContact N-O 3.33Å; V221-V242 HydrophobicContact CB-CG1 4.34Å; V221-V242 WeakPolarHBondContact O-CA 2.88Å; V221-C243 PolarHBondContact O-N 3.16Å; V221-A306 WeakPolarHBondContact CA-O 3.43Å; V221-A306 HydrophobicContact CG2-CB 4.24Å; V221-V308 HydrophobicContact CG1-CG1 4.31Å; V221-V308 HydrophobicContact CG1-CG2 3.68Å
222	F	98.6	Very high	97.2	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.009	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137.7	-178	-178.6	-113.4	0	0	0	113.3	P224 C243 T245 W298 F304 A306 I307 V308 F359	F222-P224 HydrophobicContact CE1-CB 3.75Å; F222-P224 HydrophobicContact CE1-CG 4.31Å; F222-P224 HydrophobicContact CZ-CB 4.25Å; F222-C243 WeakPolarHBondContact CA-O 3Å; F222-T245 HydrophobicContact CE2-CG2 3.88Å; F222-T245 HydrophobicContact CZ-CG2 3.73Å; F222-W298 HydrophobicContact CD2-CZ2 4Å; F222-W298 HydrophobicContact CE2-CH2 4.23Å; F222-W298 AromaticContact CE2-CZ2 3.38Å; F222-W298 HydrophobicContact CE2-CZ2 3.38Å; F222-W298 AromaticContact CZ-CE2 3.91Å; F222-W298 AromaticContact CZ-CZ2 3.74Å; F222-W298 HydrophobicContact CZ-CZ2 3.74Å; F222-W298 AromaticContact CZ-NE1 3.64Å; F222-F304 HydrophobicContact CB-CB 4.36Å; F222-F304 HydrophobicContact CB-CD1 3.52Å; F222-F304 HydrophobicContact CB-CD2 3.97Å; F222-F304 HydrophobicContact CB-CE1 3.66Å; F222-F304 HydrophobicContact CB-CE2 4.1Å; F222-F304 HydrophobicContact CB-CG 3.67Å; F222-F304 HydrophobicContact CB-CZ 3.94Å; F222-F304 HydrophobicContact CD1-CD2 4.29Å; F222-F304 AromaticContact CD1-CE2 3.96Å; F222-F304 HydrophobicContact CD1-CE2 3.96Å; F222-F304 HydrophobicContact CD1-CZ 4.18Å; F222-F304 HydrophobicContact CD2-CE1 4.12Å; F222-F304 AromaticContact CD2-CZ 3.98Å; F222-F304 HydrophobicContact CD2-CZ 3.98Å; F222-F304 HydrophobicContact CG-CD1 4.27Å; F222-F304 HydrophobicContact CG-CD2 4.27Å; F222-F304 AromaticContact CG-CE1 3.94Å; F222-F304 HydrophobicContact CG-CE1 3.94Å; F222-F304 AromaticContact CG-CE2 3.96Å; F222-F304 HydrophobicContact CG-CE2 3.96Å; F222-F304 HydrophobicContact CG-CG 4.42Å; F222-F304 AromaticContact CG-CZ 3.76Å; F222-F304 HydrophobicContact CG-CZ 3.76Å; F222-A306 PolarHBondContact N-O 2.78Å; F222-I307 HydrophobicContact CB-CG1 4.44Å; F222-I307 VanDerWaalsContact O-CA 3.29Å; F222-I307 WeakPolarHBondContact O-CA 3.35Å; F222-V308 PolarHBondContact O-N 3.38Å; F222-F359 AromaticContact CD1-CE1 3.66Å; F222-F359 HydrophobicContact CD1-CE1 3.66Å; F222-F359 HydrophobicContact CD1-CZ 4.07Å; F222-F359 AromaticContact CE1-CE1 3.55Å; F222-F359 HydrophobicContact CE1-CE1 3.55Å; F222-F359 AromaticContact CE1-CZ 3.68Å; F222-F359 HydrophobicContact CE1-CZ 3.68Å
223	D	98.4	Very high	97.2	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.016	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	107.7	169.7	-170.1	-15.3	0	0	0	111	F225 V226 L232 C243 G244 T245 V308 T309	D223-F225 PolarHBondContact O-N 2.9Å; D223-F225 VanDerWaalsContact OD1-C 3.23Å; D223-F225 PolarHBondContact OD1-N 2.84Å; D223-V226 HydrophobicContact CB-CB 4.18Å; D223-V226 HydrophobicContact CB-CG2 4.28Å; D223-L232 HydrophobicContact CB-CD2 3.69Å; D223-L232 HydrophobicContact CB-CG 4.37Å; D223-C243 PolarHBondContact N-O 3.46Å; D223-G244 CarbonylContact O-C 3.58Å; D223-G244 WeakPolarHBondContact O-CA 3.18Å; D223-T245 PolarHBondContact O-N 3.3Å; D223-V308 VanDerWaalsContact CA-O 3.31Å; D223-V308 WeakPolarHBondContact CA-O 3.24Å; D223-V308 VanDerWaalsContact CB-O 3.24Å; D223-V308 WeakPolarHBondContact CB-O 3.46Å; D223-T309 WeakPolarHBondContact OD1-CB 3.45Å; D223-T309 PolarHBondContact OD1-OG1 3.47Å
224	P	96.8	Very high	97.2	Very high	7 Å²	7	25.2 Å²	25.2	5%	0.045	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-13.1	178.6	24.3	-34	0	0	0	114.8	F222 T245 A293 I307 T309 L356	F222-P224 HydrophobicContact CE1-CB 3.75Å; F222-P224 HydrophobicContact CE1-CG 4.31Å; F222-P224 HydrophobicContact CZ-CB 4.25Å; P224-T245 CarbonylContact C-O 3.5Å; P224-T245 VanDerWaalsContact CA-OG1 3.29Å; P224-T245 WeakPolarHBondContact CA-OG1 3.11Å; P224-T245 PolarHBondContact O-OG1 3.38Å; P224-A293 HydrophobicContact CB-CB 4.43Å; P224-I307 HydrophobicContact CG-CG2 4.31Å; P224-T309 HydrophobicContact CG-CG2 4.09Å; P224-L356 HydrophobicContact CG-CD1 3.72Å
225	F	96.1	Very high	97.2	Very high	32 Å²	32	23.5 Å²	23.5	14%	0.14	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.6	57.2	179.7	-56.8	-77.9	0	0	0	109.9	D223 G227 T245 A293 T309 P311 P312 Y347 I352	D223-F225 PolarHBondContact O-N 2.9Å; D223-F225 VanDerWaalsContact OD1-C 3.23Å; D223-F225 PolarHBondContact OD1-N 2.84Å; F225-G227 VanDerWaalsContact C-N 3.27Å; F225-G227 PolarHBondContact O-N 3.23Å; F225-G227 VanDerWaalsContact O-N 3.15Å; F225-T245 WeakPolarHBondContact CA-O 3.3Å; F225-T245 PolarHBondContact N-O 2.98Å; F225-A293 HydrophobicContact CD1-CB 4.36Å; F225-A293 HydrophobicContact CE1-CB 3.52Å; F225-A293 HydrophobicContact CE2-CB 4.22Å; F225-A293 HydrophobicContact CZ-CB 3.43Å; F225-A293 VanDerWaalsContact CZ-CB 3.43Å; F225-T309 HydrophobicContact CD2-CG2 4.4Å; F225-T309 WeakPolarHBondContact CD2-OG1 3.25Å; F225-P311 HydrophobicContact CD2-CB 3.87Å; F225-P311 HydrophobicContact CD2-CG 3.98Å; F225-P311 HydrophobicContact CE2-CB 3.94Å; F225-P311 HydrophobicContact CE2-CG 4.11Å; F225-P311 HydrophobicContact CG-CB 4.45Å; F225-P312 HydrophobicContact CD1-CG 4.35Å; F225-P312 HydrophobicContact CE1-CG 4.5Å; F225-Y347 HydrophobicContact CZ-CE1 4.44Å; F225-I352 HydrophobicContact CE2-CG2 4.22Å; F225-I352 HydrophobicContact CZ-CG2 4Å
226	V	96.1	Very high	97.3	Very high	6 Å²	6	23.5 Å²	23.5	4%	0.036	12%	0.124	C	C	.	.			trans	-61.8	-29.5	-163.1	71.7	0	0	0	0	114.5	D223 T228 G229 L232 T245 D246 I252 I272 V288	D223-V226 HydrophobicContact CB-CB 4.18Å; D223-V226 HydrophobicContact CB-CG2 4.28Å; V226-T228 PolarHBondContact O-N 3.29Å; V226-G229 WeakPolarHBondContact O-CA 3.32Å; V226-G229 PolarHBondContact O-N 3.11Å; V226-L232 HydrophobicContact CG2-CD1 3.36Å; V226-L232 HydrophobicContact CG2-CG 3.75Å; V226-T245 WeakPolarHBondContact CG1-O 3.35Å; V226-T245 PolarHBondContact N-O 2.58Å; V226-D246 HydrophobicContact CG1-CB 4.01Å; V226-I252 HydrophobicContact CG1-CD1 3.64Å; V226-I272 HydrophobicContact CG1-CD1 3.93Å; V226-I272 HydrophobicContact CG2-CD1 4.02Å; V226-V288 HydrophobicContact CG1-CG1 4.43Å; V226-V288 HydrophobicContact CG2-CG1 4.27Å
227	G	94.4	Very high	97.3	Very high	14 Å²	14	20.4 Å²	20.4	14%	0.144	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	-116	-176.6	0	0	0	0	0	111.7	F225 D246 T251 I272	F225-G227 VanDerWaalsContact C-N 3.27Å; F225-G227 PolarHBondContact O-N 3.23Å; F225-G227 VanDerWaalsContact O-N 3.15Å; G227-D246 VanDerWaalsContact CA-OD2 3.29Å; G227-D246 WeakPolarHBondContact CA-OD2 3.5Å; G227-D246 PolarHBondContact N-OD2 2.97Å; G227-T251 WeakPolarHBondContact O-CG2 3.32Å; G227-I272 WeakPolarHBondContact O-CD1 3.4Å
228	T	94.4	Very high	97.4	Very high	9 Å²	9	15.9 Å²	15.9	6%	0.055	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	6.6	179	55.5	0	0	0	0	115.1	F195 S200 V226 N275	F195-T228 HydrophobicContact CD1-CG2 4.12Å; F195-T228 HydrophobicContact CE1-CG2 3.63Å; F195-T228 HydrophobicContact CE2-CG2 4.41Å; F195-T228 HydrophobicContact CZ-CG2 3.8Å; S200-T228 PolarHBondContact OG-OG1 2.84Å; V226-T228 PolarHBondContact O-N 3.29Å; T228-N275 PolarHBondContact O-ND2 3.44Å
229	G	96.6	Very high	97.5	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.059	C	C	.	.			trans	77.2	22.7	174	0	0	0	0	0	115.3	V226 L231 L232 V233	V226-G229 WeakPolarHBondContact O-CA 3.32Å; V226-G229 PolarHBondContact O-N 3.11Å; G229-L231 VanDerWaalsContact C-N 3.28Å; G229-L231 PolarHBondContact O-N 2.92Å; G229-L232 PolarHBondContact O-N 3.37Å; G229-V233 WeakPolarHBondContact O-CG2 3.39Å; G229-V233 PolarHBondContact O-N 3.04Å
230	S	97.3	Very high	97.5	Very high	7 Å²	7	9.8 Å²	9.8	5%	0.049	6%	0.056	C	C	.	.	H	α-helix	trans	-53.7	-45.2	177.3	-64.5	0	0	0	0	112.6	R193 M201 V233 A234	R193-S230 PolarHBondContact NH1-OG 2.83Å; M201-S230 PolarHBondContact N-OG 2.88Å; M201-S230 PolarHBondContact O-OG 3.04Å; S230-V233 PolarHBondContact O-N 2.96Å; S230-A234 PolarHBondContact O-N 3.33Å
231	L	98.4	Very high	97.5	Very high	6 Å²	6	11.8 Å²	11.8	3%	0.031	6%	0.061	C	C	.	.	H	α-helix	trans	-71	-39.5	-177.4	-57.3	-175.7	0	0	0	111.3	M201 M209 G229 V233 A234 C235 V308	M201-L231 HydrophobicContact CB-CD2 4.3Å; M201-L231 HydrophobicContact CG-CD2 4.03Å; M209-L231 HydrophobicContact CB-CD2 4.44Å; M209-L231 HydrophobicContact CE-CD1 3.71Å; M209-L231 HydrophobicContact CE-CD2 4.13Å; M209-L231 HydrophobicContact SD-CD1 4.13Å; M209-L231 HydrophobicContact SD-CD2 3.45Å; M209-L231 WeakPolarHBondContact SD-CD2 3.33Å; M209-L231 HydrophobicContact SD-CG 4.46Å; G229-L231 VanDerWaalsContact C-N 3.28Å; G229-L231 PolarHBondContact O-N 2.92Å; L231-V233 PolarHBondContact O-N 3.11Å; L231-A234 PolarHBondContact O-N 3.26Å; L231-C235 PolarHBondContact O-N 3.32Å; L231-C235 PolarHBondContact O-SG 2.84Å; L231-V308 HydrophobicContact CB-CG2 3.89Å; L231-V308 HydrophobicContact CD1-CB 4.45Å; L231-V308 HydrophobicContact CD1-CG2 4.43Å
232	L	98.5	Very high	97.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-62	-42.9	174.8	-59.7	-165	0	0	0	111.6	D223 V226 G229 A234 C235 S236 V242 V288	D223-L232 HydrophobicContact CB-CD2 3.69Å; D223-L232 HydrophobicContact CB-CG 4.37Å; V226-L232 HydrophobicContact CG2-CD1 3.36Å; V226-L232 HydrophobicContact CG2-CG 3.75Å; G229-L232 PolarHBondContact O-N 3.37Å; L232-A234 VanDerWaalsContact C-N 3.32Å; L232-A234 PolarHBondContact O-N 2.75Å; L232-C235 PolarHBondContact O-N 2.94Å; L232-S236 WeakPolarHBondContact O-CB 3.46Å; L232-S236 PolarHBondContact O-N 3.5Å; L232-S236 PolarHBondContact O-OG 3.29Å; L232-V242 HydrophobicContact CB-CB 3.89Å; L232-V242 HydrophobicContact CB-CG1 4.17Å; L232-V242 HydrophobicContact CB-CG2 3.99Å; L232-V242 HydrophobicContact CD1-CB 4.2Å; L232-V242 HydrophobicContact CD1-CG2 4.43Å; L232-V242 HydrophobicContact CD2-CB 4Å; L232-V242 HydrophobicContact CD2-CG1 4.31Å; L232-V242 HydrophobicContact CG-CB 4.23Å; L232-V242 WeakPolarHBondContact O-CG1 3.46Å; L232-V288 HydrophobicContact CD1-CG1 4.08Å
233	V	98.1	Very high	97.5	Very high	2 Å²	2	12 Å²	12	1%	0.012	6%	0.063	C	C	.	.	H	α-helix	trans	-57.5	-46.6	175.4	169.1	0	0	0	0	110.8	Y188 G229 S230 L231 S236 H237 N275 L276 Y279	Y188-V233 HydrophobicContact CD1-CG1 3.53Å; Y188-V233 HydrophobicContact CE1-CG1 3.64Å; G229-V233 WeakPolarHBondContact O-CG2 3.39Å; G229-V233 PolarHBondContact O-N 3.04Å; S230-V233 PolarHBondContact O-N 2.96Å; L231-V233 PolarHBondContact O-N 3.11Å; V233-S236 PolarHBondContact O-N 3.45Å; V233-S236 PolarHBondContact O-OG 3.38Å; V233-H237 PolarHBondContact O-N 3.03Å; V233-H237 VanDerWaalsContact O-N 3.1Å; V233-N275 HydrophobicContact CG2-CB 3.8Å; V233-L276 HydrophobicContact CG2-CD1 4.13Å; V233-L276 HydrophobicContact CG2-CG 4.34Å; V233-Y279 HydrophobicContact CG1-CD2 3.54Å; V233-Y279 HydrophobicContact CG1-CE2 3.73Å; V233-Y279 HydrophobicContact CG1-CG 4.48Å
234	A	98.3	Very high	97.4	Very high	2 Å²	2	11.9 Å²	11.9	2%	0.017	6%	0.062	C	C	.	.	H	α-helix	trans	-65.2	-38.6	178.6	0	0	0	0	0	113.1	S206 F207 A210 S230 L231 L232 H237 F238	S206-A234 WeakPolarHBondContact O-CB 3.42Å; F207-A234 HydrophobicContact CD1-CB 3.95Å; F207-A234 HydrophobicContact CE1-CB 4.09Å; F207-A234 HydrophobicContact CG-CB 4.28Å; A210-A234 HydrophobicContact CB-CB 4.24Å; S230-A234 PolarHBondContact O-N 3.33Å; L231-A234 PolarHBondContact O-N 3.26Å; L232-A234 VanDerWaalsContact C-N 3.32Å; L232-A234 PolarHBondContact O-N 2.75Å; A234-H237 WeakPolarHBondContact O-CB 3.48Å; A234-H237 PolarHBondContact O-N 3.3Å; A234-F238 WeakPolarHBondContact O-CD2 3.44Å
235	C	98.7	Very high	97.4	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.007	6%	0.061	C	C	.	.	H	α-helix	trans	-69.1	-42.1	176.7	-62.1	0	0	0	0	111.8	A215 V221 L231 L232 H237 F238 A240 V242	A215-C235 HydrophobicContact CB-CB 4.22Å; V221-C235 HydrophobicContact CB-CB 4.31Å; V221-C235 HydrophobicContact CG1-CB 4.08Å; V221-C235 HydrophobicContact CG2-CB 4.29Å; L231-C235 PolarHBondContact O-N 3.32Å; L231-C235 PolarHBondContact O-SG 2.84Å; L232-C235 PolarHBondContact O-N 2.94Å; C235-H237 PolarHBondContact O-N 2.9Å; C235-F238 CarbonylContact O-C 3.56Å; C235-F238 PolarHBondContact O-N 3.26Å; C235-A240 HydrophobicContact CB-CB 4.31Å; C235-A240 PolarHBondContact O-N 3.49Å; C235-V242 HydrophobicContact CB-CG1 3.99Å
236	S	98.4	Very high	97.3	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-63.4	-29.4	177.3	72.3	0	0	0	0	113.3	L232 V233 F238 G239 A240 K281	L232-S236 WeakPolarHBondContact O-CB 3.46Å; L232-S236 PolarHBondContact O-N 3.5Å; L232-S236 PolarHBondContact O-OG 3.29Å; V233-S236 PolarHBondContact O-N 3.45Å; V233-S236 PolarHBondContact O-OG 3.38Å; S236-F238 PolarHBondContact O-N 3.3Å; S236-G239 PolarHBondContact O-N 3.1Å; S236-A240 WeakPolarHBondContact CA-O 3.41Å; S236-K281 WeakPolarHBondContact O-CD 3.5Å
237	H	97.9	Very high	97.1	Very high	42 Å²	42	14.2 Å²	14.2	19%	0.194	7%	0.074	C	C	.	.	H	α-helix	trans	-56.1	-40	173.5	-179.4	78.1	0	0	0	111.4	L184 Y188 F207 V233 A234 C235 G239 K281	L184-H237 WeakPolarHBondContact CD1-NE2 3.5Å; L184-H237 VanDerWaalsContact CD2-CE1 3.47Å; L184-H237 WeakPolarHBondContact CD2-CE1 3.47Å; Y188-H237 AromaticContact CE2-ND1 3.92Å; Y188-H237 AromaticContact CZ-ND1 3.54Å; Y188-H237 PolarHBondContact OH-ND1 3.47Å; F207-H237 HydrophobicContact CE1-CB 3.68Å; F207-H237 AromaticContact CE1-CD2 3.64Å; F207-H237 AromaticContact CE1-CG 3.66Å; F207-H237 HydrophobicContact CZ-CB 4.21Å; V233-H237 PolarHBondContact O-N 3.03Å; V233-H237 VanDerWaalsContact O-N 3.1Å; A234-H237 WeakPolarHBondContact O-CB 3.48Å; A234-H237 PolarHBondContact O-N 3.3Å; C235-H237 PolarHBondContact O-N 2.9Å; H237-G239 VanDerWaalsContact C-N 3.26Å; H237-G239 PolarHBondContact O-N 2.95Å; H237-K281 PolarHBondContact O-NZ 3.35Å
238	F	97.4	Very high	96.9	Very high	15 Å²	15	16.3 Å²	16.3	7%	0.066	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	18.9	177	-62.4	-53	0	0	0	114	R68 F207 A210 N211 K216 D217 A234 C235 S236 A240	R68-F238 HydrophobicContact CB-CE1 4.06Å; R68-F238 HydrophobicContact CB-CZ 4.26Å; R68-F238 HydrophobicContact CG-CD1 4.33Å; R68-F238 HydrophobicContact CG-CE1 3.85Å; R68-F238 VanDerWaalsContact CZ-CD1 3.45Å; R68-F238 VanDerWaalsContact CZ-CG 3.42Å; F207-F238 AromaticContact CD1-CE2 3.72Å; F207-F238 HydrophobicContact CD1-CE2 3.72Å; F207-F238 AromaticContact CD1-CZ 3.9Å; F207-F238 HydrophobicContact CD1-CZ 3.9Å; F207-F238 HydrophobicContact CE1-CE2 4.37Å; F207-F238 HydrophobicContact CE1-CZ 4.46Å; A210-F238 HydrophobicContact CB-CD2 3.89Å; A210-F238 HydrophobicContact CB-CE2 3.95Å; N211-F238 VanDerWaalsContact OD1-CE2 3.31Å; N211-F238 WeakPolarHBondContact OD1-CE2 3.26Å; N211-F238 WeakPolarHBondContact OD1-CZ 3.38Å; K216-F238 CarbonylContact C-O 3.48Å; K216-F238 VanDerWaalsContact C-O 3.23Å; K216-F238 WeakPolarHBondContact CA-O 3.45Å; D217-F238 PolarHBondContact N-O 2.84Å; D217-F238 VanDerWaalsContact OD1-O 3.09Å; A234-F238 WeakPolarHBondContact O-CD2 3.44Å; C235-F238 CarbonylContact O-C 3.56Å; C235-F238 PolarHBondContact O-N 3.26Å; S236-F238 PolarHBondContact O-N 3.3Å; F238-A240 PolarHBondContact O-N 3.48Å
239	G	97.2	Very high	96.7	Very high	10 Å²	10	21.3 Å²	21.3	10%	0.103	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	8.8	170.6	0	0	0	0	0	115.9	D217 N218 S236 H237	D217-G239 WeakPolarHBondContact CA-O 3.23Å; D217-G239 WeakPolarHBondContact OD1-CA 3.41Å; N218-G239 PolarHBondContact N-O 2.99Å; S236-G239 PolarHBondContact O-N 3.1Å; H237-G239 VanDerWaalsContact C-N 3.26Å; H237-G239 PolarHBondContact O-N 2.95Å
240	A	98.6	Very high	96.4	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.121	C	C	.	.			trans	-76.4	138.1	174.7	0	0	0	0	0	111.3	A215 D219 V221 C235 S236 F238 M284	A215-A240 HydrophobicContact CB-CB 4.43Å; D219-A240 HydrophobicContact CB-CB 4.09Å; D219-A240 CarbonylContact O-C 3.53Å; D219-A240 WeakPolarHBondContact O-CA 3.45Å; V221-A240 HydrophobicContact CB-CB 4.4Å; V221-A240 HydrophobicContact CG2-CB 3.64Å; C235-A240 HydrophobicContact CB-CB 4.31Å; C235-A240 PolarHBondContact O-N 3.49Å; S236-A240 WeakPolarHBondContact CA-O 3.41Å; F238-A240 PolarHBondContact O-N 3.48Å; A240-M284 WeakPolarHBondContact O-CB 3.38Å
241	Y	98.8	Very high	96	Very high	90 Å²	90	26.1 Å²	26.1	35%	0.353	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	135.2	163.8	-68	-77.9	0	0	0	109.4	D219 V221 M284 V286	D219-Y241 PolarHBondContact O-N 3.29Å; V221-Y241 PolarHBondContact N-O 3.33Å; Y241-M284 CarbonylContact C-O 3.56Å; Y241-M284 WeakPolarHBondContact CA-O 3.32Å; Y241-M284 HydrophobicContact CD1-CE 4.41Å; Y241-M284 HydrophobicContact CD1-SD 4.44Å; Y241-M284 HydrophobicContact CE1-CE 3.82Å; Y241-M284 HydrophobicContact CE1-SD 4.35Å; Y241-V286 HydrophobicContact CD1-CG2 4.29Å; Y241-V286 HydrophobicContact CG-CG2 4.43Å
242	V	98.8	Very high	95.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	135.9	-171.2	-66.7	0	0	0	0	113.1	V221 L232 C235 L276 M284 V286	V221-V242 HydrophobicContact CB-CG1 4.34Å; V221-V242 WeakPolarHBondContact O-CA 2.88Å; L232-V242 HydrophobicContact CB-CB 3.89Å; L232-V242 HydrophobicContact CB-CG1 4.17Å; L232-V242 HydrophobicContact CB-CG2 3.99Å; L232-V242 HydrophobicContact CD1-CB 4.2Å; L232-V242 HydrophobicContact CD1-CG2 4.43Å; L232-V242 HydrophobicContact CD2-CB 4Å; L232-V242 HydrophobicContact CD2-CG1 4.31Å; L232-V242 HydrophobicContact CG-CB 4.23Å; L232-V242 WeakPolarHBondContact O-CG1 3.46Å; C235-V242 HydrophobicContact CB-CG1 3.99Å; V242-L276 HydrophobicContact CG2-CD2 3.52Å; V242-M284 PolarHBondContact N-O 3.17Å; V242-V286 WeakPolarHBondContact O-CB 3.46Å; V242-V286 PolarHBondContact O-N 3.26Å
243	C	97.9	Very high	95.2	Very high	7 Å²	7	30.6 Å²	30.6	5%	0.047	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	165	171.8	58.4	0	0	0	0	111.5	V221 F222 D223 V286 D287	V221-C243 PolarHBondContact O-N 3.16Å; F222-C243 WeakPolarHBondContact CA-O 3Å; D223-C243 PolarHBondContact N-O 3.46Å; C243-V286 HydrophobicContact CB-CB 4.14Å; C243-V286 HydrophobicContact CB-CG1 4.44Å; C243-D287 WeakPolarHBondContact CA-O 3.44Å; C243-D287 WeakPolarHBondContact CB-O 3.46Å
244	G	97.2	Very high	94.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	169.3	-178.9	0	0	0	0	0	114.2	D223 D287 V288 M289	D223-G244 CarbonylContact O-C 3.58Å; D223-G244 WeakPolarHBondContact O-CA 3.18Å; G244-D287 PolarHBondContact N-O 3.15Å; G244-V288 VanDerWaalsContact O-CA 3.27Å; G244-V288 WeakPolarHBondContact O-CA 3.28Å; G244-M289 PolarHBondContact O-N 2.99Å
245	T	96.3	Very high	94.1	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.018	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	148.8	174.4	56.4	0	0	0	0	110.8	F222 D223 P224 F225 V226 M289 W298	F222-T245 HydrophobicContact CE2-CG2 3.88Å; F222-T245 HydrophobicContact CZ-CG2 3.73Å; D223-T245 PolarHBondContact O-N 3.3Å; P224-T245 CarbonylContact C-O 3.5Å; P224-T245 VanDerWaalsContact CA-OG1 3.29Å; P224-T245 WeakPolarHBondContact CA-OG1 3.11Å; P224-T245 PolarHBondContact O-OG1 3.38Å; F225-T245 WeakPolarHBondContact CA-O 3.3Å; F225-T245 PolarHBondContact N-O 2.98Å; V226-T245 WeakPolarHBondContact CG1-O 3.35Å; V226-T245 PolarHBondContact N-O 2.58Å; T245-M289 VanDerWaalsContact CA-O 3.28Å; T245-M289 WeakPolarHBondContact CA-O 3.27Å; T245-M289 HydrophobicContact CG2-CG 3.47Å; T245-M289 VanDerWaalsContact CG2-CG 3.47Å; T245-M289 HydrophobicContact CG2-SD 4Å; T245-W298 HydrophobicContact CG2-CZ2 4.39Å
246	D	94.4	Very high	93.5	Very high	25 Å²	25	36.8 Å²	36.8	13%	0.134	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	151.5	162.9	-152.9	-68.8	0	0	0	109.2	V226 G227 D248 I252 M289 V290 S291	V226-D246 HydrophobicContact CG1-CB 4.01Å; G227-D246 VanDerWaalsContact CA-OD2 3.29Å; G227-D246 WeakPolarHBondContact CA-OD2 3.5Å; G227-D246 PolarHBondContact N-OD2 2.97Å; D246-D248 VanDerWaalsContact C-N 3.31Å; D246-D248 PolarHBondContact OD1-N 3.05Å; D246-I252 HydrophobicContact CB-CD1 3.62Å; D246-I252 HydrophobicContact CB-CG1 3.74Å; D246-M289 PolarHBondContact N-O 2.84Å; D246-M289 VanDerWaalsContact N-O 3.15Å; D246-V290 CarbonylContact O-C 3.32Å; D246-V290 VanDerWaalsContact O-CA 3.25Å; D246-V290 WeakPolarHBondContact O-CA 3.32Å; D246-S291 CarbonylContact C-O 3.6Å; D246-S291 VanDerWaalsContact C-O 3.26Å; D246-S291 PolarHBondContact O-N 3.21Å
247	I	91.7	Very high	92.7	Very high	65 Å²	65	45.6 Å²	45.6	33%	0.333	22%	0.218	S	C	.	.	S	Bend	trans	-78	-22.2	175.3	-162	172.2	0	0	0	111.3	Y249 S291 D292 R320 T322	I247-Y249 PolarHBondContact O-N 3.23Å; I247-S291 WeakPolarHBondContact CA-O 3.22Å; I247-S291 PolarHBondContact N-O 3Å; I247-D292 HydrophobicContact CD1-CB 4.32Å; I247-R320 HydrophobicContact CD1-CB 4.48Å; I247-T322 HydrophobicContact CD1-CG2 4.15Å
248	D	89.9	Confident	92	Very high	59 Å²	59	44.3 Å²	44.3	32%	0.316	21%	0.214	S	C	.	.			trans	-82.7	104.6	-179.4	-167.3	-43.2	0	0	0	112.2	D246 N250 T251 I252	D246-D248 VanDerWaalsContact C-N 3.31Å; D246-D248 PolarHBondContact OD1-N 3.05Å; D248-N250 VanDerWaalsContact C-N 3.27Å; D248-N250 PolarHBondContact O-N 3.25Å; D248-N250 WeakPolarHBondContact OD1-CA 3.33Å; D248-N250 VanDerWaalsContact OD1-CB 3.29Å; D248-N250 WeakPolarHBondContact OD1-CB 3.45Å; D248-N250 PolarHBondContact OD1-N 2.66Å; D248-T251 PolarHBondContact O-N 2.88Å; D248-T251 PolarHBondContact OD1-N 3.49Å; D248-I252 PolarHBondContact O-N 3.02Å; D248-I252 VanDerWaalsContact O-N 3.13Å
249	Y	90.1	Very high	91.2	Very high	114 Å²	114	45.6 Å²	45.6	45%	0.447	23%	0.225	S	C	.	.	H	α-helix	trans	-52.9	-40.6	174.3	177.2	-88.5	0	0	0	113.6	I247 H253 K255 V290	I247-Y249 PolarHBondContact O-N 3.23Å; Y249-H253 AromaticContact CD2-CD2 3.5Å; Y249-H253 AromaticContact CD2-NE2 3.77Å; Y249-H253 AromaticContact CE1-CD2 3.83Å; Y249-H253 AromaticContact CE2-CD2 3.2Å; Y249-H253 WeakPolarHBondContact CE2-CD2 3.28Å; Y249-H253 AromaticContact CE2-NE2 3.34Å; Y249-H253 VanDerWaalsContact CE2-NE2 3.34Å; Y249-H253 WeakPolarHBondContact CE2-NE2 3.38Å; Y249-H253 AromaticContact CG-CD2 3.92Å; Y249-H253 AromaticContact CZ-CD2 3.35Å; Y249-H253 AromaticContact CZ-NE2 3.87Å; Y249-H253 WeakPolarHBondContact O-CB 3.42Å; Y249-H253 PolarHBondContact O-CD2 3.28Å; Y249-H253 VanDerWaalsContact O-CD2 3.23Å; Y249-H253 PolarHBondContact O-N 3.26Å; Y249-H253 VanDerWaalsContact O-N 3.15Å; Y249-K255 HydrophobicContact CE1-CD 3.96Å; Y249-K255 PolarHBondContact OH-NZ 3.39Å; Y249-V290 HydrophobicContact CD2-CG2 4.09Å
250	N	89.6	Confident	90.5	Very high	78 Å²	78	49 Å²	49	42%	0.417	23%	0.234	S	C	.	.	H	α-helix	trans	-71.3	-40.5	-177.2	-63	-54.6	0	0	0	111.1	D248 H253 G254 K255	D248-N250 VanDerWaalsContact C-N 3.27Å; D248-N250 PolarHBondContact O-N 3.25Å; D248-N250 WeakPolarHBondContact OD1-CA 3.33Å; D248-N250 VanDerWaalsContact OD1-CB 3.29Å; D248-N250 WeakPolarHBondContact OD1-CB 3.45Å; D248-N250 PolarHBondContact OD1-N 2.66Å; N250-H253 CarbonylContact O-C 3.26Å; N250-H253 PolarHBondContact O-N 3.19Å; N250-G254 CarbonylContact O-C 3.54Å; N250-G254 PolarHBondContact O-N 3.37Å; N250-K255 HydrophobicContact CB-CB 4.31Å; N250-K255 PolarHBondContact O-N 2.99Å
251	T	89.1	Confident	89.5	Confident	30 Å²	30	58.9 Å²	58.9	18%	0.184	28%	0.277	C	S	.	.	H	α-helix	trans	-61.9	-49.7	177.1	-64.2	0	0	0	0	110.9	F195 G227 D248 H253 G254	F195-T251 HydrophobicContact CZ-CG2 4.42Å; F195-T251 VanDerWaalsContact CZ-O 3.3Å; F195-T251 WeakPolarHBondContact CZ-O 3.36Å; G227-T251 WeakPolarHBondContact O-CG2 3.32Å; D248-T251 PolarHBondContact O-N 2.88Å; D248-T251 PolarHBondContact OD1-N 3.49Å; T251-H253 VanDerWaalsContact C-N 3.31Å; T251-H253 PolarHBondContact O-N 2.87Å; T251-G254 PolarHBondContact O-N 3.44Å
252	I	91.3	Very high	88.6	Confident	9 Å²	9	62 Å²	62	5%	0.046	30%	0.3	C	S	.	.	H	α-helix	trans	-58.3	-42.3	179.2	-70.5	-64.5	0	0	0	112	V226 D246 D248 V288 V290	V226-I252 HydrophobicContact CG1-CD1 3.64Å; D246-I252 HydrophobicContact CB-CD1 3.62Å; D246-I252 HydrophobicContact CB-CG1 3.74Å; D248-I252 PolarHBondContact O-N 3.02Å; D248-I252 VanDerWaalsContact O-N 3.13Å; I252-V288 HydrophobicContact CD1-CB 3.97Å; I252-V288 HydrophobicContact CD1-CG2 3.9Å; I252-V288 HydrophobicContact CG2-CG2 4.09Å; I252-V290 HydrophobicContact CB-CG2 3.91Å; I252-V290 HydrophobicContact CG1-CG2 4.07Å; I252-V290 HydrophobicContact CG2-CG2 3.8Å
253	H	89.4	Confident	87.8	Confident	90 Å²	90	65 Å²	65	42%	0.417	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	8.3	-178.4	-65.6	-57.1	0	0	0	114.7	Y249 N250 T251 K255	Y249-H253 AromaticContact CD2-CD2 3.5Å; Y249-H253 AromaticContact CD2-NE2 3.77Å; Y249-H253 AromaticContact CE1-CD2 3.83Å; Y249-H253 AromaticContact CE2-CD2 3.2Å; Y249-H253 WeakPolarHBondContact CE2-CD2 3.28Å; Y249-H253 AromaticContact CE2-NE2 3.34Å; Y249-H253 VanDerWaalsContact CE2-NE2 3.34Å; Y249-H253 WeakPolarHBondContact CE2-NE2 3.38Å; Y249-H253 AromaticContact CG-CD2 3.92Å; Y249-H253 AromaticContact CZ-CD2 3.35Å; Y249-H253 AromaticContact CZ-NE2 3.87Å; Y249-H253 WeakPolarHBondContact O-CB 3.42Å; Y249-H253 PolarHBondContact O-CD2 3.28Å; Y249-H253 VanDerWaalsContact O-CD2 3.23Å; Y249-H253 PolarHBondContact O-N 3.26Å; Y249-H253 VanDerWaalsContact O-N 3.15Å; N250-H253 CarbonylContact O-C 3.26Å; N250-H253 PolarHBondContact O-N 3.19Å; T251-H253 VanDerWaalsContact C-N 3.31Å; T251-H253 PolarHBondContact O-N 2.87Å; H253-K255 HydrophobicContact CB-CD 4.1Å; H253-K255 HydrophobicContact CB-CG 4.11Å; H253-K255 PolarHBondContact O-N 2.91Å
254	G	87.4	Confident	87	Confident	7 Å²	7	71.6 Å²	71.6	7%	0.072	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	26.9	-179.9	0	0	0	0	0	113.9	N250 T251 R266 E270	N250-G254 CarbonylContact O-C 3.54Å; N250-G254 PolarHBondContact O-N 3.37Å; T251-G254 PolarHBondContact O-N 3.44Å; G254-R266 VanDerWaalsContact O-CB 3.22Å; G254-R266 WeakPolarHBondContact O-CB 3.45Å; G254-R266 WeakPolarHBondContact O-CD 3.4Å; G254-E270 WeakPolarHBondContact CA-O 3.32Å
255	K	86.3	Confident	86.4	Confident	100 Å²	100	78.9 Å²	78.9	44%	0.435	37%	0.37	S	S	.	.			trans	-93.5	159.5	-177.8	-67.8	177.6	-178.8	175.7	0	111.5	Y249 N250 H253	Y249-K255 HydrophobicContact CE1-CD 3.96Å; Y249-K255 PolarHBondContact OH-NZ 3.39Å; N250-K255 HydrophobicContact CB-CB 4.31Å; N250-K255 PolarHBondContact O-N 2.99Å; H253-K255 HydrophobicContact CB-CD 4.1Å; H253-K255 HydrophobicContact CB-CG 4.11Å; H253-K255 PolarHBondContact O-N 2.91Å
256	G	85.1	Confident	85.9	Confident	29 Å²	29	80.6 Å²	80.6	30%	0.299	38%	0.376	S	S	.	.	S	Bend	trans	93.5	-157.8	172.5	0	0	0	0	0	114.4	W265 R266	G256-W265 VanDerWaalsContact C-CE3 3.48Å; G256-R266 WeakPolarHBondContact O-CG 3.36Å; G256-R266 PolarHBondContact O-N 2.94Å
257	R	82.2	Confident	85.5	Confident	184 Å²	184	80.7 Å²	80.7	69%	0.694	38%	0.382	S	S	*	.	B	Isolated β-bridge	trans	-72.7	140.6	-173.9	-68.4	-173.5	-179.4	-179.2	2	110.9	K264 W265 R266	R257-K264 VanDerWaalsContact CA-O 3.28Å; R257-K264 WeakPolarHBondContact CA-O 3.29Å; R257-W265 HydrophobicContact CG-CE3 4.23Å; R257-W265 HydrophobicContact CG-CH2 4.38Å; R257-W265 HydrophobicContact CG-CZ3 4.02Å; R257-R266 PolarHBondContact O-NE 2.92Å
258	S	83.1	Confident	85	Confident	15 Å²	15	84.5 Å²	84.5	11%	0.105	41%	0.411	C	S	.	.			trans	-77	144.6	171.2	-175.1	0	0	0	0	109.6	R260 Q263 K264	S258-R260 PolarHBondContact O-N 3.49Å; S258-R260 PolarHBondContact OG-N 3.28Å; S258-Q263 WeakPolarHBondContact CB-O 3.28Å; S258-K264 PolarHBondContact N-O 3.26Å
259	S	81.3	Confident	84.9	Confident	43 Å²	43	84.8 Å²	84.8	30%	0.301	41%	0.413	S	S	.	.	S	Bend	trans	-77	-3.5	171.7	-65.4	0	0	0	0	112.7	G197 N198	G197-S259 WeakPolarHBondContact CA-OG 3.33Å; N198-S259 PolarHBondContact N-OG 3.4Å; N198-S259 PolarHBondContact OD1-OG 3.36Å
260	R	82.8	Confident	84.9	Confident	80 Å²	80	79.6 Å²	79.6	30%	0.302	39%	0.393	S	S	.	.	S	Bend	trans	-81.3	137.3	179.9	-64.6	-177.5	-170.8	-99	2.6	111.6	R193 H194 I196 S258 N262 Q263	R193-R260 PolarHBondContact O-NH2 2.96Å; H194-R260 PolarHBondContact O-NH2 3.39Å; I196-R260 HydrophobicContact CD1-CG 3.89Å; I196-R260 HydrophobicContact CG1-CG 4.34Å; S258-R260 PolarHBondContact O-N 3.49Å; S258-R260 PolarHBondContact OG-N 3.28Å; R260-N262 PolarHBondContact O-N 2.73Å; R260-N262 VanDerWaalsContact O-N 3.12Å; R260-Q263 HydrophobicContact CB-CB 4.08Å; R260-Q263 PolarHBondContact O-N 2.88Å; R260-Q263 VanDerWaalsContact O-O 3.11Å
261	K	77	Confident	85.1	Confident	208 Å²	208	77.6 Å²	77.6	90%	0.904	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-36.5	-178.4	-172.3	178.6	178.5	-178.8	0	114.3
262	N	80.4	Confident	85.4	Confident	156 Å²	156	76.2 Å²	76.2	83%	0.834	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	11.5	-172.9	-61.8	-15.8	0	0	0	113.4	R260	R260-N262 PolarHBondContact O-N 2.73Å; R260-N262 VanDerWaalsContact O-N 3.12Å
263	Q	80.6	Confident	85.7	Confident	62 Å²	62	80.6 Å²	80.6	29%	0.29	39%	0.389	S	S	.	.			trans	-134.2	119.4	-176.4	-171.8	-176.1	-18.1	0	0	109.4	S258 R260 W265 E270	S258-Q263 WeakPolarHBondContact CB-O 3.28Å; R260-Q263 HydrophobicContact CB-CB 4.08Å; R260-Q263 PolarHBondContact O-N 2.88Å; R260-Q263 VanDerWaalsContact O-O 3.11Å; Q263-W265 VanDerWaalsContact CG-O 3.22Å; Q263-W265 WeakPolarHBondContact CG-O 3.47Å; Q263-W265 PolarHBondContact NE2-O 2.94Å; Q263-E270 PolarHBondContact NE2-OE2 3.41Å
264	K	82	Confident	86	Confident	147 Å²	147	76.5 Å²	76.5	64%	0.639	37%	0.372	S	S	*	.	S	Bend	trans	-79.4	-38.6	-176.8	-169.8	175.2	-179.7	177.9	0	112.6	R257 S258	R257-K264 VanDerWaalsContact CA-O 3.28Å; R257-K264 WeakPolarHBondContact CA-O 3.29Å; S258-K264 PolarHBondContact N-O 3.26Å
265	W	84	Confident	86.4	Confident	153 Å²	153	76.2 Å²	76.2	58%	0.58	37%	0.368	S	S	*	.	B	Isolated β-bridge	trans	-129.1	146.1	-174.5	-63.5	109.4	0	0	0	110.6	G256 R257 Q263	G256-W265 VanDerWaalsContact C-CE3 3.48Å; R257-W265 HydrophobicContact CG-CE3 4.23Å; R257-W265 HydrophobicContact CG-CH2 4.38Å; R257-W265 HydrophobicContact CG-CZ3 4.02Å; Q263-W265 VanDerWaalsContact CG-O 3.22Å; Q263-W265 WeakPolarHBondContact CG-O 3.47Å; Q263-W265 PolarHBondContact NE2-O 2.94Å
266	R	86.2	Confident	86.9	Confident	39 Å²	39	71.4 Å²	71.4	15%	0.147	35%	0.347	C	S	.	.			trans	-64.5	146.7	177.5	-67.9	-174.8	-174.7	-78.6	8.7	111.8	F195 I196 G254 G256 R257 E270	F195-R266 VanDerWaalsContact CD2-NH1 3.31Å; I196-R266 PolarHBondContact O-NH1 3.31Å; I196-R266 PolarHBondContact O-NH2 2.86Å; G254-R266 VanDerWaalsContact O-CB 3.22Å; G254-R266 WeakPolarHBondContact O-CB 3.45Å; G254-R266 WeakPolarHBondContact O-CD 3.4Å; G256-R266 WeakPolarHBondContact O-CG 3.36Å; G256-R266 PolarHBondContact O-N 2.94Å; R257-R266 PolarHBondContact O-NE 2.92Å; R266-E270 VanDerWaalsContact CA-OE2 3.29Å; R266-E270 WeakPolarHBondContact CA-OE2 3.4Å; R266-E270 HydrophobicContact CB-CB 4.19Å; R266-E270 IonicContact CZ-OE1 3.39Å; R266-E270 IonicContact NH1-OE1 3.77Å; R266-E270 PolarHBondContact NH1-OE1 2.87Å
267	G	85.6	Confident	87.5	Confident	26 Å²	26	74.9 Å²	74.9	27%	0.268	35%	0.351	S	S	.	.			trans	-72.5	161.5	172.8	0	0	0	0	0	112.1	D269 E270	G267-D269 PolarHBondContact O-N 3.17Å; G267-E270 PolarHBondContact N-OE2 2.82Å; G267-E270 VanDerWaalsContact N-OE2 3.14Å; G267-E270 WeakPolarHBondContact O-CB 3.36Å; G267-E270 PolarHBondContact O-N 3.18Å; G267-E270 VanDerWaalsContact O-N 3.08Å
268	P	81.8	Confident	88.2	Confident	145 Å²	145	70 Å²	70	94%	0.942	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-22.8	-178.3	25.4	-34.1	0	0	0	114.3
269	D	87.3	Confident	88.8	Confident	66 Å²	66	70.9 Å²	70.9	35%	0.353	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	12.2	176.6	-159.6	35.7	0	0	0	112	H194 G267 N271 A274 R277	H194-D269 PolarHBondContact CD2-O 2.94Å; H194-D269 PolarHBondContact NE2-O 3.29Å; G267-D269 PolarHBondContact O-N 3.17Å; D269-N271 VanDerWaalsContact C-N 3.33Å; D269-N271 PolarHBondContact O-N 2.83Å; D269-A274 WeakPolarHBondContact O-CB 3.29Å; D269-R277 IonicContact OD1-NH1 2.82Å; D269-R277 PolarHBondContact OD1-NH1 3.19Å; D269-R277 VanDerWaalsContact OD1-NH1 3.11Å; D269-R277 IonicContact OD2-NH1 2.72Å; D269-R277 PolarHBondContact OD2-NH1 3.09Å
270	E	90.9	Very high	89.6	Confident	5 Å²	5	71.7 Å²	71.7	2%	0.023	35%	0.353	C	S	.	.			trans	-85.8	73.3	-176.8	-153.1	-166.5	128.7	0	0	110.9	F195 G254 Q263 R266 G267	F195-E270 HydrophobicContact CB-CG 4.09Å; F195-E270 HydrophobicContact CD2-CB 4.46Å; F195-E270 HydrophobicContact CD2-CG 3.93Å; F195-E270 WeakPolarHBondContact CD2-O 3.39Å; F195-E270 WeakPolarHBondContact CE2-O 3.41Å; G254-E270 WeakPolarHBondContact CA-O 3.32Å; Q263-E270 PolarHBondContact NE2-OE2 3.41Å; R266-E270 VanDerWaalsContact CA-OE2 3.29Å; R266-E270 WeakPolarHBondContact CA-OE2 3.4Å; R266-E270 HydrophobicContact CB-CB 4.19Å; R266-E270 IonicContact CZ-OE1 3.39Å; R266-E270 IonicContact NH1-OE1 3.77Å; R266-E270 PolarHBondContact NH1-OE1 2.87Å; G267-E270 PolarHBondContact N-OE2 2.82Å; G267-E270 VanDerWaalsContact N-OE2 3.14Å; G267-E270 WeakPolarHBondContact O-CB 3.36Å; G267-E270 PolarHBondContact O-N 3.18Å; G267-E270 VanDerWaalsContact O-N 3.08Å
271	N	93.6	Very high	90.3	Very high	35 Å²	35	70.5 Å²	70.5	19%	0.187	35%	0.35	C	S	.	.	S	Bend	trans	-138.9	178.2	-176.3	62.3	60.1	0	0	0	112.8	F195 D269 R273 A274 N275	F195-N271 VanDerWaalsContact CB-O 3.32Å; F195-N271 WeakPolarHBondContact CB-O 3.22Å; D269-N271 VanDerWaalsContact C-N 3.33Å; D269-N271 PolarHBondContact O-N 2.83Å; N271-R273 WeakPolarHBondContact OD1-CB 3.46Å; N271-R273 PolarHBondContact OD1-N 3.25Å; N271-A274 PolarHBondContact O-N 2.96Å; N271-A274 PolarHBondContact OD1-N 3.33Å; N271-N275 PolarHBondContact O-N 3.45Å
272	I	95.8	Very high	91.3	Very high	1 Å²	1	63.7 Å²	63.7	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-62.7	-43.5	-177.9	-57.6	178.8	0	0	0	111.6	F195 V226 G227 A274 N275 L276 Y285 V288	F195-I272 HydrophobicContact CD1-CG1 4.01Å; F195-I272 HydrophobicContact CE1-CG1 3.68Å; V226-I272 HydrophobicContact CG1-CD1 3.93Å; V226-I272 HydrophobicContact CG2-CD1 4.02Å; G227-I272 WeakPolarHBondContact O-CD1 3.4Å; I272-A274 VanDerWaalsContact C-N 3.27Å; I272-A274 PolarHBondContact O-N 2.79Å; I272-N275 VanDerWaalsContact O-CB 3.3Å; I272-N275 WeakPolarHBondContact O-CB 3.15Å; I272-N275 PolarHBondContact O-N 3.2Å; I272-L276 HydrophobicContact CG2-CD1 3.95Å; I272-L276 WeakPolarHBondContact O-CD1 3.3Å; I272-L276 PolarHBondContact O-N 3.03Å; I272-Y285 HydrophobicContact CB-CE2 4.42Å; I272-Y285 HydrophobicContact CG2-CE2 3.93Å; I272-V288 HydrophobicContact CD1-CB 4.36Å; I272-V288 HydrophobicContact CD1-CG1 4.02Å; I272-V288 HydrophobicContact CD1-CG2 4Å; I272-V288 HydrophobicContact CG2-CG1 4.4Å
273	R	96.4	Very high	92.1	Very high	101 Å²	101	61.7 Å²	61.7	38%	0.381	31%	0.31	S	S	.	.	H	α-helix	trans	-58.5	-40.8	178.5	-174.1	-178.9	-65.1	-176	-0.3	111.6	N271 N275 L276 R277 E282 Y285	N271-R273 WeakPolarHBondContact OD1-CB 3.46Å; N271-R273 PolarHBondContact OD1-N 3.25Å; R273-N275 VanDerWaalsContact C-N 3.29Å; R273-N275 PolarHBondContact O-N 3.12Å; R273-L276 PolarHBondContact O-N 2.87Å; R273-L276 VanDerWaalsContact O-N 3.1Å; R273-R277 PolarHBondContact O-N 3.26Å; R273-E282 WeakPolarHBondContact CD-OE1 3.48Å; R273-E282 HydrophobicContact CG-CG 4.09Å; R273-E282 WeakPolarHBondContact CG-OE1 3.09Å; R273-Y285 HydrophobicContact CB-CD1 4.17Å; R273-Y285 HydrophobicContact CB-CE1 3.95Å; R273-Y285 HydrophobicContact CB-CE2 4.42Å; R273-Y285 HydrophobicContact CB-CG 4.46Å; R273-Y285 HydrophobicContact CG-CD1 3.92Å; R273-Y285 HydrophobicContact CG-CE1 4.15Å; R273-Y285 HydrophobicContact CG-CG 4.27Å; R273-Y285 VanDerWaalsContact NE-CE1 3.28Å
274	A	95.6	Very high	93	Very high	5 Å²	5	59.8 Å²	59.8	4%	0.041	30%	0.302	C	S	.	.	H	α-helix	trans	-64.9	-30.2	176.6	0	0	0	0	0	113.4	D269 N271 I272 R277 Q278	D269-A274 WeakPolarHBondContact O-CB 3.29Å; N271-A274 PolarHBondContact O-N 2.96Å; N271-A274 PolarHBondContact OD1-N 3.33Å; I272-A274 VanDerWaalsContact C-N 3.27Å; I272-A274 PolarHBondContact O-N 2.79Å; A274-R277 PolarHBondContact O-N 2.99Å; A274-Q278 WeakPolarHBondContact O-CB 3.48Å; A274-Q278 PolarHBondContact O-N 3.34Å
275	N	96.2	Very high	93.7	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62	-46.1	169.7	-75.9	-21.2	0	0	0	111.1	R193 F195 T228 V233 N271 I272 R273 Q278 Y279	R193-N275 WeakPolarHBondContact CD-ND2 3.41Å; R193-N275 HydrophobicContact CG-CB 4.5Å; R193-N275 WeakPolarHBondContact CG-OD1 3.46Å; F195-N275 WeakPolarHBondContact CB-OD1 3.48Å; F195-N275 PolarHBondContact N-OD1 3.25Å; F195-N275 PolarHBondContact O-ND2 3Å; F195-N275 PolarHBondContact O-OD1 3.27Å; T228-N275 PolarHBondContact O-ND2 3.44Å; V233-N275 HydrophobicContact CG2-CB 3.8Å; N271-N275 PolarHBondContact O-N 3.45Å; I272-N275 VanDerWaalsContact O-CB 3.3Å; I272-N275 WeakPolarHBondContact O-CB 3.15Å; I272-N275 PolarHBondContact O-N 3.2Å; R273-N275 VanDerWaalsContact C-N 3.29Å; R273-N275 PolarHBondContact O-N 3.12Å; N275-Q278 WeakPolarHBondContact O-CB 3.28Å; N275-Q278 PolarHBondContact O-N 3.28Å; N275-Y279 WeakPolarHBondContact O-CD2 3.18Å; N275-Y279 PolarHBondContact O-N 3.05Å
276	L	97.5	Very high	94.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65	-41.3	177.5	-76.1	91.3	0	0	0	111.7	V233 V242 I272 R273 Q278 Y279 G280 K281 Y285	V233-L276 HydrophobicContact CG2-CD1 4.13Å; V233-L276 HydrophobicContact CG2-CG 4.34Å; V242-L276 HydrophobicContact CG2-CD2 3.52Å; I272-L276 HydrophobicContact CG2-CD1 3.95Å; I272-L276 WeakPolarHBondContact O-CD1 3.3Å; I272-L276 PolarHBondContact O-N 3.03Å; R273-L276 PolarHBondContact O-N 2.87Å; R273-L276 VanDerWaalsContact O-N 3.1Å; L276-Q278 VanDerWaalsContact C-N 3.35Å; L276-Q278 PolarHBondContact O-N 2.68Å; L276-Y279 CarbonylContact O-C 3.58Å; L276-Y279 PolarHBondContact O-N 2.89Å; L276-Y279 VanDerWaalsContact O-N 3.15Å; L276-G280 PolarHBondContact O-N 3.45Å; L276-K281 WeakPolarHBondContact CD2-O 2.98Å; L276-K281 PolarHBondContact O-N 3Å; L276-Y285 HydrophobicContact CD1-CD2 3.83Å; L276-Y285 HydrophobicContact CD1-CE2 4.42Å; L276-Y285 HydrophobicContact CD2-CD2 4.17Å
277	R	97.4	Very high	94.9	Very high	101 Å²	101	52.5 Å²	52.5	38%	0.381	28%	0.284	S	S	.	.	H	α-helix	trans	-57.3	-44.9	174	-172.7	-174.9	-60.8	146.2	4.4	112.5	D269 R273 A274 Y279 G280 E282	D269-R277 IonicContact OD1-NH1 2.82Å; D269-R277 PolarHBondContact OD1-NH1 3.19Å; D269-R277 VanDerWaalsContact OD1-NH1 3.11Å; D269-R277 IonicContact OD2-NH1 2.72Å; D269-R277 PolarHBondContact OD2-NH1 3.09Å; R273-R277 PolarHBondContact O-N 3.26Å; A274-R277 PolarHBondContact O-N 2.99Å; R277-Y279 PolarHBondContact O-N 3.46Å; R277-Y279 VanDerWaalsContact O-N 3.15Å; R277-G280 PolarHBondContact O-N 2.92Å; R277-E282 HydrophobicContact CB-CB 4.11Å; R277-E282 HydrophobicContact CB-CG 4.49Å; R277-E282 WeakPolarHBondContact CD-OE2 3.47Å; R277-E282 VanDerWaalsContact CG-OE2 3.24Å; R277-E282 WeakPolarHBondContact CG-OE2 3.46Å; R277-E282 IonicContact CZ-OE1 2.73Å; R277-E282 IonicContact CZ-OE2 2.68Å; R277-E282 VanDerWaalsContact NE-CD 3.34Å; R277-E282 IonicContact NE-OE1 3.83Å; R277-E282 PolarHBondContact NE-OE1 3.35Å; R277-E282 IonicContact NE-OE2 3.26Å; R277-E282 PolarHBondContact NE-OE2 2.61Å; R277-E282 IonicContact NH2-OE1 3.11Å; R277-E282 PolarHBondContact NH2-OE1 2.87Å; R277-E282 IonicContact NH2-OE2 3.22Å
278	Q	96.8	Very high	95.4	Very high	82 Å²	82	51.8 Å²	51.8	38%	0.383	28%	0.275	S	S	.	.	H	α-helix	trans	-53.4	-36.7	177.9	172.6	-178.7	-7.5	0	0	112.1	N192 H194 A274 N275 L276	N192-Q278 PolarHBondContact O-NE2 3.22Å; H194-Q278 VanDerWaalsContact CB-OE1 3.31Å; A274-Q278 WeakPolarHBondContact O-CB 3.48Å; A274-Q278 PolarHBondContact O-N 3.34Å; N275-Q278 WeakPolarHBondContact O-CB 3.28Å; N275-Q278 PolarHBondContact O-N 3.28Å; L276-Q278 VanDerWaalsContact C-N 3.35Å; L276-Q278 PolarHBondContact O-N 2.68Å
279	Y	96.6	Very high	96	Very high	34 Å²	34	48 Å²	48	13%	0.133	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	8.4	-177.5	-58.8	-63.2	0	0	0	113.5	Y188 R193 V233 N275 L276 R277 K281	Y188-Y279 AromaticContact CD1-CD1 3.72Å; Y188-Y279 HydrophobicContact CD1-CD1 3.72Å; Y188-Y279 AromaticContact CD1-CD2 3.78Å; Y188-Y279 HydrophobicContact CD1-CD2 3.78Å; Y188-Y279 AromaticContact CD1-CE1 3.66Å; Y188-Y279 HydrophobicContact CD1-CE1 3.66Å; Y188-Y279 AromaticContact CD1-CE2 3.75Å; Y188-Y279 HydrophobicContact CD1-CE2 3.75Å; Y188-Y279 AromaticContact CD1-CG 3.79Å; Y188-Y279 HydrophobicContact CD1-CG 3.79Å; Y188-Y279 AromaticContact CD1-CZ 3.68Å; Y188-Y279 HydrophobicContact CD2-CE1 4.5Å; Y188-Y279 AromaticContact CE1-CD1 3.41Å; Y188-Y279 HydrophobicContact CE1-CD1 3.41Å; Y188-Y279 VanDerWaalsContact CE1-CD1 3.41Å; Y188-Y279 AromaticContact CE1-CD2 3.56Å; Y188-Y279 HydrophobicContact CE1-CD2 3.56Å; Y188-Y279 AromaticContact CE1-CE1 3.89Å; Y188-Y279 HydrophobicContact CE1-CE1 3.89Å; Y188-Y279 HydrophobicContact CE1-CE2 4.04Å; Y188-Y279 AromaticContact CE1-CG 3.23Å; Y188-Y279 HydrophobicContact CE1-CG 3.23Å; Y188-Y279 HydrophobicContact CE2-CD1 4.26Å; Y188-Y279 HydrophobicContact CG-CD1 4.29Å; Y188-Y279 AromaticContact CG-CE1 4Å; Y188-Y279 HydrophobicContact CG-CE1 4Å; Y188-Y279 AromaticContact CZ-CD1 3.68Å; Y188-Y279 AromaticContact CZ-CG 3.8Å; R193-Y279 HydrophobicContact CG-CE2 4.42Å; V233-Y279 HydrophobicContact CG1-CD2 3.54Å; V233-Y279 HydrophobicContact CG1-CE2 3.73Å; V233-Y279 HydrophobicContact CG1-CG 4.48Å; N275-Y279 WeakPolarHBondContact O-CD2 3.18Å; N275-Y279 PolarHBondContact O-N 3.05Å; L276-Y279 CarbonylContact O-C 3.58Å; L276-Y279 PolarHBondContact O-N 2.89Å; L276-Y279 VanDerWaalsContact O-N 3.15Å; R277-Y279 PolarHBondContact O-N 3.46Å; R277-Y279 VanDerWaalsContact O-N 3.15Å; Y279-K281 VanDerWaalsContact C-N 3.35Å
280	G	97.4	Very high	96.3	Very high	59 Å²	59	48 Å²	48	61%	0.608	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.3	32	-179.7	0	0	0	0	0	113.6	L276 R277	L276-G280 PolarHBondContact O-N 3.45Å; R277-G280 PolarHBondContact O-N 2.92Å
281	K	97.7	Very high	96.4	Very high	56 Å²	56	48.5 Å²	48.5	24%	0.243	25%	0.252	C	S	.	.			trans	-123.8	19.4	-177.6	-60.9	-62.4	-179.8	163.9	0	113.2	S236 H237 L276 Y279 D283 M284	S236-K281 WeakPolarHBondContact O-CD 3.5Å; H237-K281 PolarHBondContact O-NZ 3.35Å; L276-K281 WeakPolarHBondContact CD2-O 2.98Å; L276-K281 PolarHBondContact O-N 3Å; Y279-K281 VanDerWaalsContact C-N 3.35Å; K281-D283 WeakPolarHBondContact CA-OD1 3.5Å; K281-D283 PolarHBondContact O-N 3.38Å; K281-M284 WeakPolarHBondContact O-CB 3.42Å; K281-M284 PolarHBondContact O-N 2.8Å; K281-M284 VanDerWaalsContact O-N 3.1Å
282	E	97.5	Very high	96.2	Very high	65 Å²	65	47.4 Å²	47.4	30%	0.304	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-62.4	-29.7	-179.6	-177.6	170	-158	0	0	112.7	R273 R277 M284 Y285	R273-E282 WeakPolarHBondContact CD-OE1 3.48Å; R273-E282 HydrophobicContact CG-CG 4.09Å; R273-E282 WeakPolarHBondContact CG-OE1 3.09Å; R277-E282 HydrophobicContact CB-CB 4.11Å; R277-E282 HydrophobicContact CB-CG 4.49Å; R277-E282 WeakPolarHBondContact CD-OE2 3.47Å; R277-E282 VanDerWaalsContact CG-OE2 3.24Å; R277-E282 WeakPolarHBondContact CG-OE2 3.46Å; R277-E282 IonicContact CZ-OE1 2.73Å; R277-E282 IonicContact CZ-OE2 2.68Å; R277-E282 VanDerWaalsContact NE-CD 3.34Å; R277-E282 IonicContact NE-OE1 3.83Å; R277-E282 PolarHBondContact NE-OE1 3.35Å; R277-E282 IonicContact NE-OE2 3.26Å; R277-E282 PolarHBondContact NE-OE2 2.61Å; R277-E282 IonicContact NH2-OE1 3.11Å; R277-E282 PolarHBondContact NH2-OE1 2.87Å; R277-E282 IonicContact NH2-OE2 3.22Å; E282-M284 PolarHBondContact O-N 2.91Å; E282-Y285 WeakPolarHBondContact O-CB 3.48Å; E282-Y285 PolarHBondContact O-N 3.34Å
283	D	97.6	Very high	96	Very high	114 Å²	114	48.3 Å²	48.3	61%	0.61	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-61.3	-24.7	173.7	57.8	-32.5	0	0	0	113.6	K281 Y285	K281-D283 WeakPolarHBondContact CA-OD1 3.5Å; K281-D283 PolarHBondContact O-N 3.38Å; D283-Y285 VanDerWaalsContact C-N 3.33Å
284	M	98.3	Very high	95.5	Very high	21 Å²	21	44.7 Å²	44.7	10%	0.103	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-84.6	-8.1	175.4	-59.7	-63	96.3	0	0	113.1	A240 Y241 V242 K281 E282 V286	A240-M284 WeakPolarHBondContact O-CB 3.38Å; Y241-M284 CarbonylContact C-O 3.56Å; Y241-M284 WeakPolarHBondContact CA-O 3.32Å; Y241-M284 HydrophobicContact CD1-CE 4.41Å; Y241-M284 HydrophobicContact CD1-SD 4.44Å; Y241-M284 HydrophobicContact CE1-CE 3.82Å; Y241-M284 HydrophobicContact CE1-SD 4.35Å; V242-M284 PolarHBondContact N-O 3.17Å; K281-M284 WeakPolarHBondContact O-CB 3.42Å; K281-M284 PolarHBondContact O-N 2.8Å; K281-M284 VanDerWaalsContact O-N 3.1Å; E282-M284 PolarHBondContact O-N 2.91Å; M284-V286 PolarHBondContact O-N 2.91Å
285	Y	98.3	Very high	95	Very high	30 Å²	30	49.5 Å²	49.5	12%	0.118	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	110.6	-178.8	-173	-102.2	0	0	0	110.7	I272 R273 L276 E282 D283 D287 V288	I272-Y285 HydrophobicContact CB-CE2 4.42Å; I272-Y285 HydrophobicContact CG2-CE2 3.93Å; R273-Y285 HydrophobicContact CB-CD1 4.17Å; R273-Y285 HydrophobicContact CB-CE1 3.95Å; R273-Y285 HydrophobicContact CB-CE2 4.42Å; R273-Y285 HydrophobicContact CB-CG 4.46Å; R273-Y285 HydrophobicContact CG-CD1 3.92Å; R273-Y285 HydrophobicContact CG-CE1 4.15Å; R273-Y285 HydrophobicContact CG-CG 4.27Å; R273-Y285 VanDerWaalsContact NE-CE1 3.28Å; L276-Y285 HydrophobicContact CD1-CD2 3.83Å; L276-Y285 HydrophobicContact CD1-CE2 4.42Å; L276-Y285 HydrophobicContact CD2-CD2 4.17Å; E282-Y285 WeakPolarHBondContact O-CB 3.48Å; E282-Y285 PolarHBondContact O-N 3.34Å; D283-Y285 VanDerWaalsContact C-N 3.33Å; Y285-D287 PolarHBondContact OH-OD1 3.32Å; Y285-V288 HydrophobicContact CE2-CG1 3.92Å; Y285-V288 WeakPolarHBondContact OH-CG2 3.15Å; Y285-V288 PolarHBondContact OH-N 3.32Å
286	V	98.1	Very high	94.1	Very high	76 Å²	76	52.8 Å²	52.8	46%	0.461	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	-76.4	173.9	179.3	0	0	0	0	108.8	L220 Y241 V242 C243 M284	L220-V286 HydrophobicContact CD1-CG2 3.91Å; Y241-V286 HydrophobicContact CD1-CG2 4.29Å; Y241-V286 HydrophobicContact CG-CG2 4.43Å; V242-V286 WeakPolarHBondContact O-CB 3.46Å; V242-V286 PolarHBondContact O-N 3.26Å; C243-V286 HydrophobicContact CB-CB 4.14Å; C243-V286 HydrophobicContact CB-CG1 4.44Å; M284-V286 PolarHBondContact O-N 2.91Å
287	D	96.4	Very high	93.7	Very high	80 Å²	80	57.6 Å²	57.6	43%	0.428	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.2	167.9	167.1	-143.2	-12.7	0	0	0	111.9	C243 G244 Y285	C243-D287 WeakPolarHBondContact CA-O 3.44Å; C243-D287 WeakPolarHBondContact CB-O 3.46Å; G244-D287 PolarHBondContact N-O 3.15Å; Y285-D287 PolarHBondContact OH-OD1 3.32Å
288	V	96.1	Very high	93.3	Very high	11 Å²	11	55.7 Å²	55.7	7%	0.067	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	140.5	166.3	-59.8	0	0	0	0	110.3	V226 L232 G244 I252 I272 Y285	V226-V288 HydrophobicContact CG1-CG1 4.43Å; V226-V288 HydrophobicContact CG2-CG1 4.27Å; L232-V288 HydrophobicContact CD1-CG1 4.08Å; G244-V288 VanDerWaalsContact O-CA 3.27Å; G244-V288 WeakPolarHBondContact O-CA 3.28Å; I252-V288 HydrophobicContact CD1-CB 3.97Å; I252-V288 HydrophobicContact CD1-CG2 3.9Å; I252-V288 HydrophobicContact CG2-CG2 4.09Å; I272-V288 HydrophobicContact CD1-CB 4.36Å; I272-V288 HydrophobicContact CD1-CG1 4.02Å; I272-V288 HydrophobicContact CD1-CG2 4Å; I272-V288 HydrophobicContact CG2-CG1 4.4Å; Y285-V288 HydrophobicContact CE2-CG1 3.92Å; Y285-V288 WeakPolarHBondContact OH-CG2 3.15Å; Y285-V288 PolarHBondContact OH-N 3.32Å
289	M	94.6	Very high	93	Very high	66 Å²	66	60.3 Å²	60.3	33%	0.325	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	152.7	-174.7	70.4	-173.4	79.6	0	0	112.4	G244 T245 D246 S291 V297 W298	G244-M289 PolarHBondContact O-N 2.99Å; T245-M289 VanDerWaalsContact CA-O 3.28Å; T245-M289 WeakPolarHBondContact CA-O 3.27Å; T245-M289 HydrophobicContact CG2-CG 3.47Å; T245-M289 VanDerWaalsContact CG2-CG 3.47Å; T245-M289 HydrophobicContact CG2-SD 4Å; D246-M289 PolarHBondContact N-O 2.84Å; D246-M289 VanDerWaalsContact N-O 3.15Å; M289-S291 PolarHBondContact O-N 2.73Å; M289-V297 HydrophobicContact SD-CG2 4.29Å; M289-W298 HydrophobicContact CE-CH2 3.57Å; M289-W298 HydrophobicContact CE-CZ2 3.72Å; M289-W298 HydrophobicContact CE-CZ3 4.48Å; M289-W298 HydrophobicContact SD-CZ2 4.32Å
290	V	94	Very high	92.5	Very high	66 Å²	66	67.6 Å²	67.6	40%	0.4	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	111.4	171.4	-176.4	0	0	0	0	108.2	D246 Y249 I252	D246-V290 CarbonylContact O-C 3.32Å; D246-V290 VanDerWaalsContact O-CA 3.25Å; D246-V290 WeakPolarHBondContact O-CA 3.32Å; Y249-V290 HydrophobicContact CD2-CG2 4.09Å; I252-V290 HydrophobicContact CB-CG2 3.91Å; I252-V290 HydrophobicContact CG1-CG2 4.07Å; I252-V290 HydrophobicContact CG2-CG2 3.8Å
291	S	93.1	Very high	92.3	Very high	15 Å²	15	65.9 Å²	65.9	11%	0.105	33%	0.333	C	S	.	.			trans	-152.3	152.2	-179.6	-173	0	0	0	0	111.5	D246 I247 M289	D246-S291 CarbonylContact C-O 3.6Å; D246-S291 VanDerWaalsContact C-O 3.26Å; D246-S291 PolarHBondContact O-N 3.21Å; I247-S291 WeakPolarHBondContact CA-O 3.22Å; I247-S291 PolarHBondContact N-O 3Å; M289-S291 PolarHBondContact O-N 2.73Å
292	D	89.9	Confident	92.1	Very high	12 Å²	12	65.5 Å²	65.5	6%	0.064	34%	0.341	C	S	.	.			trans	-92.4	117.1	174.7	-179.3	-8.2	0	0	0	109.8	I247 S294 K295 T322	I247-D292 HydrophobicContact CD1-CB 4.32Å; D292-S294 PolarHBondContact O-N 3.04Å; D292-S294 WeakPolarHBondContact OD1-CB 3.5Å; D292-S294 PolarHBondContact OD1-N 2.91Å; D292-S294 PolarHBondContact OD1-OG 2.93Å; D292-S294 PolarHBondContact OD2-OG 2.91Å; D292-S294 VanDerWaalsContact OD2-OG 3.12Å; D292-K295 CarbonylContact O-C 3.53Å; D292-K295 PolarHBondContact O-N 3.23Å; D292-T322 HydrophobicContact CB-CG2 4.15Å; D292-T322 WeakPolarHBondContact OD2-CB 3.47Å; D292-T322 PolarHBondContact OD2-N 2.88Å; D292-T322 PolarHBondContact OD2-OG1 3.5Å
293	A	89.9	Confident	92	Very high	21 Å²	21	64.5 Å²	64.5	17%	0.174	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-24.2	-179.4	0	0	0	0	0	113.4	P224 F225 K295	P224-A293 HydrophobicContact CB-CB 4.43Å; F225-A293 HydrophobicContact CD1-CB 4.36Å; F225-A293 HydrophobicContact CE1-CB 3.52Å; F225-A293 HydrophobicContact CE2-CB 4.22Å; F225-A293 HydrophobicContact CZ-CB 3.43Å; F225-A293 VanDerWaalsContact CZ-CB 3.43Å; A293-K295 PolarHBondContact O-N 3.26Å
294	S	86.2	Confident	92.1	Very high	24 Å²	24	59 Å²	59	17%	0.168	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-12	175	71.8	0	0	0	0	113.4	D292 R321	D292-S294 PolarHBondContact O-N 3.04Å; D292-S294 WeakPolarHBondContact OD1-CB 3.5Å; D292-S294 PolarHBondContact OD1-N 2.91Å; D292-S294 PolarHBondContact OD1-OG 2.93Å; D292-S294 PolarHBondContact OD2-OG 2.91Å; D292-S294 VanDerWaalsContact OD2-OG 3.12Å; S294-R321 WeakPolarHBondContact OG-CB 3.32Å
295	K	86.3	Confident	92.1	Very high	107 Å²	107	60.6 Å²	60.6	47%	0.465	32%	0.316	S	S	.	.	S	Bend	trans	-131.5	70.6	179.4	-64.4	-179.6	-169.4	162.5	0	109.5	D292 A293 V297 T322	D292-K295 CarbonylContact O-C 3.53Å; D292-K295 PolarHBondContact O-N 3.23Å; A293-K295 PolarHBondContact O-N 3.26Å; K295-V297 PolarHBondContact O-N 2.67Å; K295-T322 WeakPolarHBondContact CE-O 3.29Å; K295-T322 PolarHBondContact NZ-O 3.41Å; K295-T322 PolarHBondContact NZ-OG1 2.89Å
296	P	77.4	Confident	92.1	Very high	68 Å²	68	59.1 Å²	59.1	44%	0.442	31%	0.311	S	S	.	.			trans	-59.1	126.4	-175.8	22	-31.2	0	0	0	110.9	W298 F359	P296-W298 VanDerWaalsContact C-N 3.25Å; P296-F359 HydrophobicContact CB-CD2 3.73Å; P296-F359 HydrophobicContact CB-CE2 3.77Å; P296-F359 HydrophobicContact CG-CD2 4.27Å
297	V	88.1	Confident	92.1	Very high	101 Å²	101	55.5 Å²	55.5	61%	0.612	29%	0.289	S	S	*	.			trans	-88.8	6.8	179.5	-62.7	0	0	0	0	112.9	M289 K295	M289-V297 HydrophobicContact SD-CG2 4.29Å; K295-V297 PolarHBondContact O-N 2.67Å
298	W	89.6	Confident	92.2	Very high	62 Å²	62	51.8 Å²	51.8	24%	0.235	27%	0.269	C	S	.	.	S	Bend	trans	-81.3	146.4	-172.8	-61.8	95.4	0	0	0	111.5	F222 T245 M289 P296 L303 F304 F359	F222-W298 HydrophobicContact CD2-CZ2 4Å; F222-W298 HydrophobicContact CE2-CH2 4.23Å; F222-W298 AromaticContact CE2-CZ2 3.38Å; F222-W298 HydrophobicContact CE2-CZ2 3.38Å; F222-W298 AromaticContact CZ-CE2 3.91Å; F222-W298 AromaticContact CZ-CZ2 3.74Å; F222-W298 HydrophobicContact CZ-CZ2 3.74Å; F222-W298 AromaticContact CZ-NE1 3.64Å; T245-W298 HydrophobicContact CG2-CZ2 4.39Å; M289-W298 HydrophobicContact CE-CH2 3.57Å; M289-W298 HydrophobicContact CE-CZ2 3.72Å; M289-W298 HydrophobicContact CE-CZ3 4.48Å; M289-W298 HydrophobicContact SD-CZ2 4.32Å; P296-W298 VanDerWaalsContact C-N 3.25Å; W298-L303 HydrophobicContact CB-CD1 4.17Å; W298-L303 HydrophobicContact CD2-CD1 4.35Å; W298-L303 HydrophobicContact CE3-CD1 3.73Å; W298-F304 HydrophobicContact CD2-CE2 4.35Å; W298-F304 AromaticContact CD2-CZ 3.96Å; W298-F304 HydrophobicContact CD2-CZ 3.96Å; W298-F304 AromaticContact CE2-CZ 4Å; W298-F304 HydrophobicContact CE3-CE2 4.48Å; W298-F304 AromaticContact CE3-CZ 3.8Å; W298-F304 HydrophobicContact CE3-CZ 3.8Å; W298-F304 HydrophobicContact CH2-CE1 4.28Å; W298-F304 AromaticContact CH2-CZ 3.76Å; W298-F304 HydrophobicContact CH2-CZ 3.76Å; W298-F304 AromaticContact CZ2-CZ 3.93Å; W298-F304 HydrophobicContact CZ2-CZ 3.93Å; W298-F304 HydrophobicContact CZ3-CE1 4.28Å; W298-F304 AromaticContact CZ3-CZ 3.7Å; W298-F304 HydrophobicContact CZ3-CZ 3.7Å; W298-F359 HydrophobicContact CB-CE2 4.3Å; W298-F359 AromaticContact CD1-CE2 3.36Å; W298-F359 AromaticContact CD1-CZ 3.54Å; W298-F359 AromaticContact CG-CE2 3.98Å; W298-F359 HydrophobicContact CG-CE2 3.98Å; W298-F359 HydrophobicContact CG-CZ 4.07Å; W298-F359 AromaticContact NE1-CZ 3.81Å
299	R	90.1	Very high	92.3	Very high	179 Å²	179	51.2 Å²	51.2	68%	0.675	27%	0.266	S	S	*	.			trans	-59.8	138.5	166.4	57.2	176.3	-85.8	116.6	-2.8	109	A301 L303 H363	R299-A301 VanDerWaalsContact C-N 3.34Å; R299-A301 HydrophobicContact CG-CB 4.38Å; R299-A301 PolarHBondContact O-N 3.09Å; R299-L303 HydrophobicContact CG-CD1 3.95Å; R299-L303 HydrophobicContact CG-CD2 3.89Å; R299-L303 HydrophobicContact CG-CG 4.4Å; R299-H363 PolarHBondContact O-CD2 3.15Å; R299-H363 PolarHBondContact O-NE2 2.96Å
300	K	86.4	Confident	92.4	Very high	187 Å²	187	49.9 Å²	49.9	81%	0.813	26%	0.26	S	S	*	.	S	Bend	trans	-68.6	91	173	-66.8	-172.5	178.2	-172.1	0	109.9
301	A	92.1	Very high	92.4	Very high	23 Å²	23	46.9 Å²	46.9	19%	0.19	24%	0.241	C	C	.	.	S	Bend	trans	-161.9	159.8	176.9	0	0	0	0	0	109.4	R299 L303 H362 H363	R299-A301 VanDerWaalsContact C-N 3.34Å; R299-A301 HydrophobicContact CG-CB 4.38Å; R299-A301 PolarHBondContact O-N 3.09Å; A301-L303 HydrophobicContact CB-CD2 4.17Å; A301-L303 HydrophobicContact CB-CG 4.48Å; A301-L303 WeakPolarHBondContact O-CG 3.07Å; A301-L303 PolarHBondContact O-N 3.37Å; A301-H362 CarbonylContact C-O 3.48Å; A301-H363 WeakPolarHBondContact O-CA 3.42Å; A301-H363 PolarHBondContact O-CD2 3.38Å
302	A	94.6	Very high	92.2	Very high	48 Å²	48	47.5 Å²	47.5	40%	0.397	25%	0.245	S	C	.	.			trans	-65.5	120.1	162.2	0	0	0	0	0	109.1	V365	A302-V365 HydrophobicContact CB-CG1 4.22Å
303	L	95.7	Very high	92	Very high	43 Å²	43	48.4 Å²	48.4	23%	0.225	25%	0.248	C	C	.	.			trans	-124.3	-34.7	-174.5	-64.4	177.7	0	0	0	112.5	W298 R299 A301 H363	W298-L303 HydrophobicContact CB-CD1 4.17Å; W298-L303 HydrophobicContact CD2-CD1 4.35Å; W298-L303 HydrophobicContact CE3-CD1 3.73Å; R299-L303 HydrophobicContact CG-CD1 3.95Å; R299-L303 HydrophobicContact CG-CD2 3.89Å; R299-L303 HydrophobicContact CG-CG 4.4Å; A301-L303 HydrophobicContact CB-CD2 4.17Å; A301-L303 HydrophobicContact CB-CG 4.48Å; A301-L303 WeakPolarHBondContact O-CG 3.07Å; A301-L303 PolarHBondContact O-N 3.37Å; L303-H363 PolarHBondContact N-O 2.95Å
304	F	98.2	Very high	91.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	136.7	-167	-52.1	-63.6	0	0	0	111.5	L220 F222 W298 I307 F359 H363 L364 V365	L220-F304 HydrophobicContact CD2-CD1 3.83Å; L220-F304 HydrophobicContact CD2-CE1 3.97Å; L220-F304 HydrophobicContact CG-CD1 3.92Å; L220-F304 HydrophobicContact CG-CE1 4.33Å; L220-F304 WeakPolarHBondContact O-CA 3.22Å; F222-F304 HydrophobicContact CB-CB 4.36Å; F222-F304 HydrophobicContact CB-CD1 3.52Å; F222-F304 HydrophobicContact CB-CD2 3.97Å; F222-F304 HydrophobicContact CB-CE1 3.66Å; F222-F304 HydrophobicContact CB-CE2 4.1Å; F222-F304 HydrophobicContact CB-CG 3.67Å; F222-F304 HydrophobicContact CB-CZ 3.94Å; F222-F304 HydrophobicContact CD1-CD2 4.29Å; F222-F304 AromaticContact CD1-CE2 3.96Å; F222-F304 HydrophobicContact CD1-CE2 3.96Å; F222-F304 HydrophobicContact CD1-CZ 4.18Å; F222-F304 HydrophobicContact CD2-CE1 4.12Å; F222-F304 AromaticContact CD2-CZ 3.98Å; F222-F304 HydrophobicContact CD2-CZ 3.98Å; F222-F304 HydrophobicContact CG-CD1 4.27Å; F222-F304 HydrophobicContact CG-CD2 4.27Å; F222-F304 AromaticContact CG-CE1 3.94Å; F222-F304 HydrophobicContact CG-CE1 3.94Å; F222-F304 AromaticContact CG-CE2 3.96Å; F222-F304 HydrophobicContact CG-CE2 3.96Å; F222-F304 HydrophobicContact CG-CG 4.42Å; F222-F304 AromaticContact CG-CZ 3.76Å; F222-F304 HydrophobicContact CG-CZ 3.76Å; W298-F304 HydrophobicContact CD2-CE2 4.35Å; W298-F304 AromaticContact CD2-CZ 3.96Å; W298-F304 HydrophobicContact CD2-CZ 3.96Å; W298-F304 AromaticContact CE2-CZ 4Å; W298-F304 HydrophobicContact CE3-CE2 4.48Å; W298-F304 AromaticContact CE3-CZ 3.8Å; W298-F304 HydrophobicContact CE3-CZ 3.8Å; W298-F304 HydrophobicContact CH2-CE1 4.28Å; W298-F304 AromaticContact CH2-CZ 3.76Å; W298-F304 HydrophobicContact CH2-CZ 3.76Å; W298-F304 AromaticContact CZ2-CZ 3.93Å; W298-F304 HydrophobicContact CZ2-CZ 3.93Å; W298-F304 HydrophobicContact CZ3-CE1 4.28Å; W298-F304 AromaticContact CZ3-CZ 3.7Å; W298-F304 HydrophobicContact CZ3-CZ 3.7Å; F304-I307 HydrophobicContact CB-CG1 4.28Å; F304-I307 HydrophobicContact CD2-CD1 4.47Å; F304-I307 HydrophobicContact CD2-CG1 4.44Å; F304-F359 HydrophobicContact CD2-CE1 4.39Å; F304-F359 HydrophobicContact CE2-CE1 4.12Å; F304-F359 AromaticContact CE2-CZ 3.85Å; F304-F359 HydrophobicContact CE2-CZ 3.85Å; F304-H363 HydrophobicContact CD2-CB 3.89Å; F304-H363 HydrophobicContact CE2-CB 4.11Å; F304-H363 PolarHBondContact N-O 3.08Å; F304-L364 WeakPolarHBondContact O-CA 3.2Å; F304-V365 PolarHBondContact O-N 3.1Å
305	D	98.6	Very high	90.7	Very high	53 Å²	53	48.2 Å²	48.2	28%	0.283	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	-33.5	174.6	-63.4	-74.7	0	0	0	111.3	D219 L220 G368 R369	D219-D305 WeakPolarHBondContact CA-OD2 3.24Å; D219-D305 HydrophobicContact CB-CB 3.74Å; L220-D305 PolarHBondContact N-OD2 2.81Å; L220-D305 PolarHBondContact O-N 3.38Å; D305-G368 WeakPolarHBondContact O-CA 3.21Å; D305-R369 PolarHBondContact O-N 2.83Å
306	A	98.7	Very high	89.8	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	154.1	170.6	0	0	0	0	0	112.7	A213 V221 F222 R369	A213-A306 HydrophobicContact CB-CB 3.99Å; V221-A306 WeakPolarHBondContact CA-O 3.43Å; V221-A306 HydrophobicContact CG2-CB 4.24Å; F222-A306 PolarHBondContact N-O 2.78Å; A306-R369 WeakPolarHBondContact CA-O 3.31Å
307	I	98.8	Very high	89.6	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	124.5	171.1	-63.7	169.1	0	0	0	107.5	F222 P224 F304 L356 F359 A360 L364 R369 L370 V371	F222-I307 HydrophobicContact CB-CG1 4.44Å; F222-I307 VanDerWaalsContact O-CA 3.29Å; F222-I307 WeakPolarHBondContact O-CA 3.35Å; P224-I307 HydrophobicContact CG-CG2 4.31Å; F304-I307 HydrophobicContact CB-CG1 4.28Å; F304-I307 HydrophobicContact CD2-CD1 4.47Å; F304-I307 HydrophobicContact CD2-CG1 4.44Å; I307-L356 HydrophobicContact CG2-CD1 4.5Å; I307-F359 HydrophobicContact CD1-CD1 3.82Å; I307-F359 HydrophobicContact CD1-CE1 3.81Å; I307-A360 HydrophobicContact CD1-CB 4.04Å; I307-L364 HydrophobicContact CB-CD2 4.26Å; I307-L364 HydrophobicContact CD1-CD1 4.43Å; I307-L364 HydrophobicContact CD1-CD2 3.89Å; I307-L364 HydrophobicContact CD1-CG 3.75Å; I307-L364 HydrophobicContact CG1-CD2 3.69Å; I307-L364 HydrophobicContact CG1-CG 4.14Å; I307-R369 PolarHBondContact N-O 3.38Å; I307-L370 HydrophobicContact CB-CD1 3.82Å; I307-L370 HydrophobicContact CG2-CD1 3.54Å; I307-L370 CarbonylContact O-C 3.6Å; I307-L370 WeakPolarHBondContact O-CA 3.33Å; I307-V371 PolarHBondContact O-N 2.9Å
308	V	98.8	Very high	88.7	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	130.3	-180	-60.3	0	0	0	0	109.3	A213 V221 F222 D223 L231 V371	A213-V308 HydrophobicContact CB-CG1 3.46Å; A213-V308 VanDerWaalsContact CB-CG1 3.46Å; V221-V308 HydrophobicContact CG1-CG1 4.31Å; V221-V308 HydrophobicContact CG1-CG2 3.68Å; F222-V308 PolarHBondContact O-N 3.38Å; D223-V308 VanDerWaalsContact CA-O 3.31Å; D223-V308 WeakPolarHBondContact CA-O 3.24Å; D223-V308 VanDerWaalsContact CB-O 3.24Å; D223-V308 WeakPolarHBondContact CB-O 3.46Å; L231-V308 HydrophobicContact CB-CG2 3.89Å; L231-V308 HydrophobicContact CD1-CB 4.45Å; L231-V308 HydrophobicContact CD1-CG2 4.43Å; V308-V371 CarbonylContact C-O 3.58Å; V308-V371 WeakPolarHBondContact CA-O 3.35Å; V308-V371 HydrophobicContact CG1-CB 4.27Å
309	T	98.2	Very high	88.2	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	153.9	-176.8	-162.6	0	0	0	0	115.4	M209 D223 P224 F225 P311 L356 V371 Y372 W373	M209-T309 WeakPolarHBondContact CE-O 3.41Å; D223-T309 WeakPolarHBondContact OD1-CB 3.45Å; D223-T309 PolarHBondContact OD1-OG1 3.47Å; P224-T309 HydrophobicContact CG-CG2 4.09Å; F225-T309 HydrophobicContact CD2-CG2 4.4Å; F225-T309 WeakPolarHBondContact CD2-OG1 3.25Å; T309-P311 HydrophobicContact CG2-CG 3.9Å; T309-L356 HydrophobicContact CG2-CD1 4.01Å; T309-L356 HydrophobicContact CG2-CD2 3.78Å; T309-V371 PolarHBondContact N-O 3.44Å; T309-Y372 VanDerWaalsContact O-CA 3.25Å; T309-Y372 WeakPolarHBondContact O-CA 3.45Å; T309-W373 PolarHBondContact O-N 2.84Å
310	D	96.4	Very high	87.8	Confident	38 Å²	38	46.2 Å²	46.2	20%	0.203	23%	0.228	C	C	.	.			trans	-120.6	87.5	167.9	-171.4	17.1	0	0	0	109.2	M201 Y313 W373 R408	M201-D310 HydrophobicContact CE-CB 3.65Å; M201-D310 WeakPolarHBondContact CE-OD2 3.47Å; D310-Y313 WeakPolarHBondContact OD1-CE1 3.45Å; D310-Y313 PolarHBondContact OD1-OH 2.97Å; D310-W373 VanDerWaalsContact OD1-CB 3.32Å; D310-W373 WeakPolarHBondContact OD1-CB 2.97Å; D310-R408 IonicContact OD1-NH1 2.83Å; D310-R408 IonicContact OD2-NH1 2.77Å; D310-R408 PolarHBondContact OD2-NH1 3.26Å; D310-R408 VanDerWaalsContact OD2-NH1 3.13Å
311	P	93.6	Very high	87.5	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.013	20%	0.203	C	C	.	.			trans	-63	153.7	-173.7	-21.9	34.8	0	0	0	112.2	F225 T309 Y313 I352 F353 L356	F225-P311 HydrophobicContact CD2-CB 3.87Å; F225-P311 HydrophobicContact CD2-CG 3.98Å; F225-P311 HydrophobicContact CE2-CB 3.94Å; F225-P311 HydrophobicContact CE2-CG 4.11Å; F225-P311 HydrophobicContact CG-CB 4.45Å; T309-P311 HydrophobicContact CG2-CG 3.9Å; P311-Y313 WeakPolarHBondContact O-CD1 3.18Å; P311-Y313 WeakPolarHBondContact O-CE1 3.16Å; P311-Y313 PolarHBondContact O-N 2.77Å; P311-I352 HydrophobicContact CB-CG2 3.69Å; P311-I352 HydrophobicContact CG-CG2 4.4Å; P311-F353 HydrophobicContact CB-CE1 4.44Å; P311-F353 HydrophobicContact CG-CE1 4.01Å; P311-L356 HydrophobicContact CG-CD2 4.09Å
312	P	89.6	Confident	86.7	Confident	28 Å²	28	41.4 Å²	41.4	18%	0.182	20%	0.204	C	C	.	.			trans	-65.4	129.6	-179.3	24.8	-32.7	0	0	0	111.9	F225 G314 E317 T319 L349 I352	F225-P312 HydrophobicContact CD1-CG 4.35Å; F225-P312 HydrophobicContact CE1-CG 4.5Å; P312-G314 VanDerWaalsContact C-N 3.34Å; P312-E317 HydrophobicContact CB-CB 4.2Å; P312-T319 HydrophobicContact CB-CG2 4.03Å; P312-T319 HydrophobicContact CG-CG2 4.13Å; P312-T319 WeakPolarHBondContact O-CG2 3.39Å; P312-L349 WeakPolarHBondContact O-CD2 3.46Å; P312-I352 HydrophobicContact CG-CD1 4.39Å
313	Y	85.4	Confident	85.6	Confident	32 Å²	32	39.9 Å²	39.9	13%	0.125	19%	0.193	C	C	.	.			trans	-88	-0.6	179.6	-52.7	-18.7	0	0	0	114.5	D310 P311 I315 W373 P375 R408 F442	D310-Y313 WeakPolarHBondContact OD1-CE1 3.45Å; D310-Y313 PolarHBondContact OD1-OH 2.97Å; P311-Y313 WeakPolarHBondContact O-CD1 3.18Å; P311-Y313 WeakPolarHBondContact O-CE1 3.16Å; P311-Y313 PolarHBondContact O-N 2.77Å; Y313-I315 VanDerWaalsContact C-N 3.29Å; Y313-I315 PolarHBondContact O-N 3.48Å; Y313-W373 WeakPolarHBondContact OH-CB 3.49Å; Y313-P375 HydrophobicContact CD1-CB 3.91Å; Y313-P375 HydrophobicContact CD1-CG 3.53Å; Y313-P375 HydrophobicContact CD2-CB 3.82Å; Y313-P375 HydrophobicContact CD2-CG 4.35Å; Y313-P375 HydrophobicContact CE1-CB 4.19Å; Y313-P375 HydrophobicContact CE1-CG 3.98Å; Y313-P375 HydrophobicContact CE2-CB 4.06Å; Y313-P375 HydrophobicContact CG-CB 3.76Å; Y313-P375 HydrophobicContact CG-CG 3.79Å; Y313-R408 VanDerWaalsContact OH-CD 3.32Å; Y313-R408 WeakPolarHBondContact OH-CD 3.38Å; Y313-F442 HydrophobicContact CD2-CE1 4.5Å
314	G	76.3	Confident	83.9	Confident	7 Å²	7	40.5 Å²	40.5	7%	0.072	20%	0.201	C	C	.	.	S	Bend	trans	68.4	28	-174.3	0	0	0	0	0	112.4	P312 E317 R443	P312-G314 VanDerWaalsContact C-N 3.34Å; G314-E317 CarbonylContact C-O 3.23Å; G314-E317 WeakPolarHBondContact CA-O 3.46Å; G314-E317 PolarHBondContact N-O 2.93Å; G314-R443 WeakPolarHBondContact O-CD 3.39Å; G314-R443 VanDerWaalsContact O-CG 3.26Å; G314-R443 WeakPolarHBondContact O-CG 3.39Å; G314-R443 PolarHBondContact O-NH1 3.02Å
315	I	71.4	Confident	81.6	Confident	34 Å²	34	47.7 Å²	47.7	17%	0.174	23%	0.234	C	C	.	.	S	Bend	trans	-106.5	-65.3	174.8	-63.9	169.1	0	0	0	110.1	Y313 F442 Y446 F447	Y313-I315 VanDerWaalsContact C-N 3.29Å; Y313-I315 PolarHBondContact O-N 3.48Å; I315-F442 HydrophobicContact CD1-CD1 4.29Å; I315-F442 HydrophobicContact CD1-CE1 3.46Å; I315-F442 VanDerWaalsContact CD1-CE1 3.46Å; I315-F442 HydrophobicContact CD1-CZ 4.15Å; I315-F442 HydrophobicContact CG1-CE1 4.3Å; I315-Y446 HydrophobicContact CD1-CD1 3.82Å; I315-Y446 HydrophobicContact CD1-CD2 3.36Å; I315-Y446 HydrophobicContact CD1-CE1 4.11Å; I315-Y446 HydrophobicContact CD1-CE2 3.7Å; I315-Y446 HydrophobicContact CD1-CG 3.45Å; I315-Y446 VanDerWaalsContact CD1-CG 3.45Å; I315-Y446 HydrophobicContact CG1-CD1 4.17Å; I315-Y446 HydrophobicContact CG1-CD2 4.5Å; I315-Y446 HydrophobicContact CG1-CG 4.15Å; I315-Y446 HydrophobicContact CG2-CD1 4.04Å; I315-Y446 HydrophobicContact CG2-CE1 3.72Å; I315-F447 HydrophobicContact CG2-CZ 4.16Å
316	R	67	Low	79.3	Confident	182 Å²	182	53 Å²	53	69%	0.687	25%	0.254	S	S	*	.	S	Bend	trans	-92.3	-45.2	180	-63.7	-176.5	-176	175.7	4.4	111.3	T199	T199-R316 HydrophobicContact CG2-CB 3.88Å
317	E	73.8	Confident	76.6	Confident	70 Å²	70	61 Å²	61	33%	0.327	30%	0.298	S	S	.	.	S	Bend	trans	-100.9	142.9	172	-59.6	-55.3	148.8	0	0	109.9	T199 P312 G314	T199-E317 HydrophobicContact CG2-CG 3.62Å; P312-E317 HydrophobicContact CB-CB 4.2Å; G314-E317 CarbonylContact C-O 3.23Å; G314-E317 WeakPolarHBondContact CA-O 3.46Å; G314-E317 PolarHBondContact N-O 2.93Å
318	S	70.7	Confident	74.2	Confident	56 Å²	56	66.5 Å²	66.5	39%	0.392	33%	0.326	S	S	.	.			trans	-78.3	133.6	177.5	53	0	0	0	0	111.2	R320	S318-R320 PolarHBondContact O-N 3.41Å; S318-R320 VanDerWaalsContact OG-CD 3.26Å; S318-R320 WeakPolarHBondContact OG-CD 3.24Å; S318-R320 VanDerWaalsContact OG-CZ 3.28Å; S318-R320 PolarHBondContact OG-NE 2.83Å
319	T	78.1	Confident	71.5	Confident	33 Å²	33	74 Å²	74	20%	0.202	36%	0.364	C	S	.	.			trans	-79	110.7	171.3	54.9	0	0	0	0	109.8	P312 Y347 I352	P312-T319 HydrophobicContact CB-CG2 4.03Å; P312-T319 HydrophobicContact CG-CG2 4.13Å; P312-T319 WeakPolarHBondContact O-CG2 3.39Å; T319-Y347 WeakPolarHBondContact CB-O 3.48Å; T319-Y347 PolarHBondContact O-N 2.82Å; T319-Y347 VanDerWaalsContact O-N 3.17Å; T319-Y347 PolarHBondContact OG1-O 3.05Å; T319-I352 HydrophobicContact CG2-CD1 3.7Å
320	R	80.7	Confident	69.2	Low	134 Å²	134	83 Å²	83	51%	0.506	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	144.7	-172.2	-69.2	178.1	177.6	175.3	12.5	110.8	I247 S318 S344 Q345	I247-R320 HydrophobicContact CD1-CB 4.48Å; S318-R320 PolarHBondContact O-N 3.41Å; S318-R320 VanDerWaalsContact OG-CD 3.26Å; S318-R320 WeakPolarHBondContact OG-CD 3.24Å; S318-R320 VanDerWaalsContact OG-CZ 3.28Å; S318-R320 PolarHBondContact OG-NE 2.83Å; R320-S344 WeakPolarHBondContact CB-OG 3.22Å; R320-S344 WeakPolarHBondContact CD-OG 3.34Å; R320-S344 VanDerWaalsContact CG-OG 3.23Å; R320-S344 WeakPolarHBondContact CG-OG 3.46Å; R320-Q345 WeakPolarHBondContact CA-O 3.15Å
321	R	80.6	Confident	66.7	Low	75 Å²	75	85.3 Å²	85.3	28%	0.283	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	157.4	166.1	65.2	179.7	-173	-160	-2.9	109.6	S294 Q345 Y347 D351	S294-R321 WeakPolarHBondContact OG-CB 3.32Å; R321-Q345 HydrophobicContact CG-CB 4.16Å; R321-Q345 PolarHBondContact N-O 2.83Å; R321-Q345 PolarHBondContact O-N 2.93Å; R321-Y347 HydrophobicContact CB-CD1 4.25Å; R321-Y347 HydrophobicContact CB-CG 4.1Å; R321-Y347 HydrophobicContact CG-CG 4.48Å; R321-D351 IonicContact NH1-OD2 3.41Å
322	T	76.1	Confident	64.4	Low	34 Å²	34	91.2 Å²	91.2	21%	0.209	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	138.4	173.2	62.5	0	0	0	0	109.9	I247 D292 K295 P342	I247-T322 HydrophobicContact CD1-CG2 4.15Å; D292-T322 HydrophobicContact CB-CG2 4.15Å; D292-T322 WeakPolarHBondContact OD2-CB 3.47Å; D292-T322 PolarHBondContact OD2-N 2.88Å; D292-T322 PolarHBondContact OD2-OG1 3.5Å; K295-T322 WeakPolarHBondContact CE-O 3.29Å; K295-T322 PolarHBondContact NZ-O 3.41Å; K295-T322 PolarHBondContact NZ-OG1 2.89Å; T322-P342 HydrophobicContact CG2-CB 4.01Å
323	G	70.5	Confident	62.5	Low	15 Å²	15	96.1 Å²	96.1	16%	0.155	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	179.4	176.3	0	0	0	0	0	112	V343	G323-V343 PolarHBondContact N-O 3.14Å; G323-V343 PolarHBondContact O-N 3.08Å; G323-V343 VanDerWaalsContact O-O 3.11Å
324	S	61.6	Low	60.8	Low	57 Å²	57	97.3 Å²	97.3	40%	0.399	51%	0.508	S	S	.	.			trans	-125.6	138.8	170.9	177.9	0	0	0	0	108	K326 Q345	S324-K326 WeakPolarHBondContact CB-O 3.49Å; S324-K326 PolarHBondContact O-N 3.43Å; S324-K326 PolarHBondContact OG-N 3.27Å; S324-K326 PolarHBondContact OG-O 3.36Å; S324-Q345 PolarHBondContact O-NE2 3.46Å
325	H	49.4	Very low	59.2	Low	151 Å²	151	104.6 Å²	104.6	70%	0.699	54%	0.544	S	S	*	.	S	Bend	trans	-76.5	-5.7	173.1	-79.1	-70.4	0	0	0	113.2
326	K	49	Very low	58.2	Low	163 Å²	163	112.3 Å²	112.3	71%	0.709	57%	0.572	S	S	*	*	S	Bend	trans	-131.1	138.8	178.9	-67.3	-177.4	177.4	-178.1	0	109.2	S324 I328	S324-K326 WeakPolarHBondContact CB-O 3.49Å; S324-K326 PolarHBondContact O-N 3.43Å; S324-K326 PolarHBondContact OG-N 3.27Å; S324-K326 PolarHBondContact OG-O 3.36Å; K326-I328 HydrophobicContact CB-CG1 3.98Å; K326-I328 PolarHBondContact O-N 2.72Å
327	D	42.5	Very low	57.3	Low	170 Å²	170	107.3 Å²	107.3	91%	0.909	57%	0.565	S	S	*	*			trans	-62.6	79.1	160	-70.3	-42	0	0	0	108.1	I329	D327-I329 PolarHBondContact O-N 3.33Å
328	I	47.8	Very low	56.1	Low	114 Å²	114	114.1 Å²	114.1	59%	0.585	60%	0.597	S	S	*	*			trans	-74.9	101.8	172.1	-60.6	176.6	0	0	0	105	K326 K330	K326-I328 HydrophobicContact CB-CG1 3.98Å; K326-I328 PolarHBondContact O-N 2.72Å; I328-K330 PolarHBondContact O-N 2.99Å
329	I	43.9	Very low	55	Low	160 Å²	160	116.3 Å²	116.3	82%	0.821	61%	0.613	S	S	*	*			trans	-48.6	112.1	162.8	-62.7	171.5	0	0	0	106.2	D327 S331	D327-I329 PolarHBondContact O-N 3.33Å; I329-S331 PolarHBondContact O-N 3.17Å
330	K	48.5	Very low	54.1	Low	188 Å²	188	119.6 Å²	119.6	82%	0.817	63%	0.625	S	S	*	*			trans	-60.2	129	179	-64.1	177.9	-179.9	178.6	0	108.4	I328	I328-K330 PolarHBondContact O-N 2.99Å
331	S	44	Very low	53.1	Low	86 Å²	86	119 Å²	119	60%	0.601	64%	0.637	S	S	*	*			trans	-67.7	142.3	156.4	50.4	0	0	0	0	108.1	I329 D333	I329-S331 PolarHBondContact O-N 3.17Å; S331-D333 PolarHBondContact O-N 2.78Å
332	P	46.4	Very low	52.2	Low	127 Å²	127	118.9 Å²	118.9	83%	0.825	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-15.2	-175.5	-21	31.9	0	0	0	114.6
333	D	48.4	Very low	51.9	Low	131 Å²	131	120.1 Å²	120.1	70%	0.701	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	6.4	-162.2	-64.9	-18.1	0	0	0	115.4	S331 L335	S331-D333 PolarHBondContact O-N 2.78Å; D333-L335 PolarHBondContact O-N 2.94Å
334	G	49.8	Very low	52	Low	57 Å²	57	122 Å²	122	59%	0.588	66%	0.664	S	S	*	*			trans	61.3	8.2	163.5	0	0	0	0	0	117.5	Y336	G334-Y336 PolarHBondContact O-N 3.13Å
335	L	42.7	Very low	52.8	Low	160 Å²	160	121.6 Å²	121.6	84%	0.838	66%	0.655	S	S	*	*			trans	-74	94.4	173.5	-101.7	78.9	0	0	0	109.5	D333 S337	D333-L335 PolarHBondContact O-N 2.94Å; L335-S337 PolarHBondContact O-N 3.41Å
336	Y	50	Low	54.2	Low	195 Å²	195	118.6 Å²	118.6	77%	0.765	65%	0.649	S	S	*	*			trans	-62.5	126.8	155.7	-65.7	-86.4	0	0	0	107.3	G334 E338	G334-Y336 PolarHBondContact O-N 3.13Å; Y336-E338 PolarHBondContact O-N 2.66Å
337	S	48.8	Very low	55.8	Low	77 Å²	77	111 Å²	111	54%	0.538	62%	0.616	S	S	.	*			trans	-58.5	133.9	163.1	58	0	0	0	0	107.5	L335 S339 H340	L335-S337 PolarHBondContact O-N 3.41Å; S337-S339 PolarHBondContact O-N 2.96Å; S337-H340 PolarHBondContact O-N 3.2Å
338	E	48.5	Very low	57.9	Low	213 Å²	213	107.1 Å²	107.1	100%	0.995	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.6	-10.1	-176.3	-70	-177	153.5	0	0	114.1	Y336	Y336-E338 PolarHBondContact O-N 2.66Å
339	S	48.4	Very low	59.6	Low	103 Å²	103	102.1 Å²	102.1	72%	0.72	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.6	6.6	-176.1	37.6	0	0	0	0	115.2	S337 V341	S337-S339 PolarHBondContact O-N 2.96Å; S339-V341 PolarHBondContact O-N 3.09Å
340	H	58.6	Low	61.6	Low	102 Å²	102	95 Å²	95	47%	0.472	53%	0.531	S	S	.	.			trans	-77.1	107.2	177.8	-179	-79.5	0	0	0	112.3	S337 P342	S337-H340 PolarHBondContact O-N 3.2Å; H340-P342 WeakPolarHBondContact O-CD 3.26Å
341	V	59.3	Low	63.5	Low	122 Å²	122	88.3 Å²	88.3	74%	0.739	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-86.7	117.9	168.9	-177.3	0	0	0	0	109.1	S339	S339-V341 PolarHBondContact O-N 3.09Å
342	P	62.4	Low	65.7	Low	72 Å²	72	84.2 Å²	84.2	47%	0.468	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-56.6	139.4	177	-22.5	32.6	0	0	0	112	T322 H340	T322-P342 HydrophobicContact CG2-CB 4.01Å; H340-P342 WeakPolarHBondContact O-CD 3.26Å
343	V	69.3	Low	67.9	Low	59 Å²	59	78.1 Å²	78.1	36%	0.358	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	135.4	178.7	-173.4	0	0	0	0	109.6	G323	G323-V343 PolarHBondContact N-O 3.14Å; G323-V343 PolarHBondContact O-N 3.08Å; G323-V343 VanDerWaalsContact O-O 3.11Å
344	S	73.3	Confident	69.9	Low	56 Å²	56	74.5 Å²	74.5	39%	0.392	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	130.8	174.8	-175.4	0	0	0	0	110.9	R320	R320-S344 WeakPolarHBondContact CB-OG 3.22Å; R320-S344 WeakPolarHBondContact CD-OG 3.34Å; R320-S344 VanDerWaalsContact CG-OG 3.23Å; R320-S344 WeakPolarHBondContact CG-OG 3.46Å
345	Q	77.4	Confident	71.9	Confident	48 Å²	48	74.4 Å²	74.4	22%	0.224	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	158.2	171.1	-68.7	-175.6	-8.3	0	0	110.8	R320 R321 S324 Y347	R320-Q345 WeakPolarHBondContact CA-O 3.15Å; R321-Q345 HydrophobicContact CG-CB 4.16Å; R321-Q345 PolarHBondContact N-O 2.83Å; R321-Q345 PolarHBondContact O-N 2.93Å; S324-Q345 PolarHBondContact O-NE2 3.46Å; Q345-Y347 PolarHBondContact O-N 2.94Å
346	P	79.1	Confident	74.4	Confident	87 Å²	87	67.1 Å²	67.1	57%	0.565	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.6	134.4	171	-21.5	33.2	0	0	0	111
347	Y	83.4	Confident	76.6	Confident	3 Å²	3	58 Å²	58	1%	0.012	33%	0.331	C	S	.	.			trans	-108.2	113	169.1	-165.5	-173.8	0	0	0	107.5	F225 T319 R321 Q345 D351 I352 D355	F225-Y347 HydrophobicContact CZ-CE1 4.44Å; T319-Y347 WeakPolarHBondContact CB-O 3.48Å; T319-Y347 PolarHBondContact O-N 2.82Å; T319-Y347 VanDerWaalsContact O-N 3.17Å; T319-Y347 PolarHBondContact OG1-O 3.05Å; R321-Y347 HydrophobicContact CB-CD1 4.25Å; R321-Y347 HydrophobicContact CB-CG 4.1Å; R321-Y347 HydrophobicContact CG-CG 4.48Å; Q345-Y347 PolarHBondContact O-N 2.94Å; Y347-D351 HydrophobicContact CD2-CB 3.85Å; Y347-D351 HydrophobicContact CE2-CB 3.59Å; Y347-I352 HydrophobicContact CD1-CD1 3.93Å; Y347-I352 HydrophobicContact CD1-CG1 3.39Å; Y347-I352 HydrophobicContact CD2-CG1 3.69Å; Y347-I352 HydrophobicContact CE1-CB 4.36Å; Y347-I352 HydrophobicContact CE1-CD1 4.34Å; Y347-I352 HydrophobicContact CE1-CG1 3.38Å; Y347-I352 HydrophobicContact CE2-CB 4.39Å; Y347-I352 HydrophobicContact CE2-CG1 3.7Å; Y347-I352 HydrophobicContact CG-CD1 4Å; Y347-I352 HydrophobicContact CG-CG1 3.54Å; Y347-D355 WeakPolarHBondContact CE2-OD2 3.48Å; Y347-D355 VanDerWaalsContact OH-CB 3.29Å; Y347-D355 WeakPolarHBondContact OH-CB 3.01Å; Y347-D355 PolarHBondContact OH-OD2 2.7Å
348	H	84.8	Confident	78.7	Confident	90 Å²	90	56.5 Å²	56.5	42%	0.417	32%	0.321	S	S	.	.			trans	-74.3	148.9	-177	-72.7	-69.4	0	0	0	110.8	S350 D351 I352 N440	H348-S350 WeakPolarHBondContact CB-OG 2.95Å; H348-S350 PolarHBondContact O-N 3.22Å; H348-D351 HydrophobicContact CB-CB 4.5Å; H348-D351 PolarHBondContact O-N 2.81Å; H348-D351 VanDerWaalsContact O-N 3.08Å; H348-I352 WeakPolarHBondContact O-CG1 3.37Å; H348-I352 PolarHBondContact O-N 3.47Å; H348-N440 WeakPolarHBondContact CB-OD1 3.36Å
349	L	85.3	Confident	81	Confident	9 Å²	9	47.2 Å²	47.2	5%	0.047	28%	0.277	C	S	.	.	H	α-helix	trans	-61.2	-37.8	179.2	-80.5	176.2	0	0	0	111.2	P312 D351 I352 F353 P375 H439 N440 F442	P312-L349 WeakPolarHBondContact O-CD2 3.46Å; L349-D351 VanDerWaalsContact C-N 3.25Å; L349-D351 PolarHBondContact O-N 3.23Å; L349-I352 HydrophobicContact CD2-CD1 4.19Å; L349-I352 PolarHBondContact O-N 3.13Å; L349-F353 HydrophobicContact CB-CE2 4.41Å; L349-F353 HydrophobicContact CD2-CE2 4.04Å; L349-F353 WeakPolarHBondContact O-CD2 3.5Å; L349-F353 PolarHBondContact O-N 2.99Å; L349-P375 HydrophobicContact CD1-CG 4.31Å; L349-H439 HydrophobicContact CD1-CB 4.43Å; L349-H439 WeakPolarHBondContact CD1-O 3.47Å; L349-N440 PolarHBondContact N-OD1 3.18Å; L349-F442 HydrophobicContact CD1-CB 3.95Å; L349-F442 HydrophobicContact CD1-CD1 4.3Å; L349-F442 HydrophobicContact CD1-CG 4.47Å
350	S	85.3	Confident	83.3	Confident	9 Å²	9	42.3 Å²	42.3	6%	0.063	24%	0.243	C	C	.	.	H	α-helix	trans	-48.2	-50.4	170.7	50.2	0	0	0	0	112.4	H348 T354 Y436 N440	H348-S350 WeakPolarHBondContact CB-OG 2.95Å; H348-S350 PolarHBondContact O-N 3.22Å; S350-T354 WeakPolarHBondContact O-CB 3.32Å; S350-T354 PolarHBondContact O-N 2.93Å; S350-T354 VanDerWaalsContact O-N 3.1Å; S350-T354 PolarHBondContact O-OG1 2.92Å; S350-Y436 WeakPolarHBondContact CA-O 3.46Å; S350-Y436 WeakPolarHBondContact CB-O 3.24Å; S350-N440 PolarHBondContact N-OD1 2.97Å; S350-N440 PolarHBondContact OG-ND2 2.72Å; S350-N440 PolarHBondContact OG-OD1 3.29Å
351	D	87.5	Confident	85.1	Confident	48 Å²	48	37.5 Å²	37.5	26%	0.257	22%	0.22	S	C	.	.	H	α-helix	trans	-73.9	-41	-172.9	-54	-6.1	0	0	0	110	R321 Y347 H348 L349 F353 T354 D355	R321-D351 IonicContact NH1-OD2 3.41Å; Y347-D351 HydrophobicContact CD2-CB 3.85Å; Y347-D351 HydrophobicContact CE2-CB 3.59Å; H348-D351 HydrophobicContact CB-CB 4.5Å; H348-D351 PolarHBondContact O-N 2.81Å; H348-D351 VanDerWaalsContact O-N 3.08Å; L349-D351 VanDerWaalsContact C-N 3.25Å; L349-D351 PolarHBondContact O-N 3.23Å; D351-F353 PolarHBondContact O-N 2.76Å; D351-T354 PolarHBondContact O-N 3.15Å; D351-D355 VanDerWaalsContact O-CB 3.32Å; D351-D355 WeakPolarHBondContact O-CB 3.19Å; D351-D355 PolarHBondContact O-N 3.34Å
352	I	91.1	Very high	86.8	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-53.9	-51.1	176.6	-72.5	165	0	0	0	111.1	F225 P311 P312 T319 Y347 H348 L349 L356	F225-I352 HydrophobicContact CE2-CG2 4.22Å; F225-I352 HydrophobicContact CZ-CG2 4Å; P311-I352 HydrophobicContact CB-CG2 3.69Å; P311-I352 HydrophobicContact CG-CG2 4.4Å; P312-I352 HydrophobicContact CG-CD1 4.39Å; T319-I352 HydrophobicContact CG2-CD1 3.7Å; Y347-I352 HydrophobicContact CD1-CD1 3.93Å; Y347-I352 HydrophobicContact CD1-CG1 3.39Å; Y347-I352 HydrophobicContact CD2-CG1 3.69Å; Y347-I352 HydrophobicContact CE1-CB 4.36Å; Y347-I352 HydrophobicContact CE1-CD1 4.34Å; Y347-I352 HydrophobicContact CE1-CG1 3.38Å; Y347-I352 HydrophobicContact CE2-CB 4.39Å; Y347-I352 HydrophobicContact CE2-CG1 3.7Å; Y347-I352 HydrophobicContact CG-CD1 4Å; Y347-I352 HydrophobicContact CG-CG1 3.54Å; H348-I352 WeakPolarHBondContact O-CG1 3.37Å; H348-I352 PolarHBondContact O-N 3.47Å; L349-I352 HydrophobicContact CD2-CD1 4.19Å; L349-I352 PolarHBondContact O-N 3.13Å; I352-L356 WeakPolarHBondContact O-CB 3.22Å; I352-L356 PolarHBondContact O-N 3.32Å
353	F	91.9	Very high	88.4	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-72.9	-36.4	-178.2	-65.6	-64.3	0	0	0	112	P311 L349 D351 L356 L357 Y372 W373 L374 P375 P387 Y436	P311-F353 HydrophobicContact CB-CE1 4.44Å; P311-F353 HydrophobicContact CG-CE1 4.01Å; L349-F353 HydrophobicContact CB-CE2 4.41Å; L349-F353 HydrophobicContact CD2-CE2 4.04Å; L349-F353 WeakPolarHBondContact O-CD2 3.5Å; L349-F353 PolarHBondContact O-N 2.99Å; D351-F353 PolarHBondContact O-N 2.76Å; F353-L356 HydrophobicContact CD1-CD2 4.44Å; F353-L356 PolarHBondContact O-N 2.83Å; F353-L357 WeakPolarHBondContact O-CB 3.29Å; F353-L357 WeakPolarHBondContact O-CD1 3.34Å; F353-L357 PolarHBondContact O-N 3.32Å; F353-Y372 AromaticContact CD1-CD2 3.82Å; F353-Y372 HydrophobicContact CD1-CD2 3.82Å; F353-Y372 AromaticContact CD1-CE2 3.62Å; F353-Y372 HydrophobicContact CD1-CE2 3.62Å; F353-Y372 AromaticContact CE1-CD2 3.67Å; F353-Y372 HydrophobicContact CE1-CD2 3.67Å; F353-Y372 AromaticContact CE1-CE2 3.8Å; F353-Y372 HydrophobicContact CE1-CE2 3.8Å; F353-W373 WeakPolarHBondContact CE1-O 3.21Å; F353-L374 HydrophobicContact CD1-CD1 4.33Å; F353-L374 HydrophobicContact CD2-CD1 3.85Å; F353-L374 HydrophobicContact CE1-CD1 4.07Å; F353-L374 HydrophobicContact CE2-CD1 3.56Å; F353-L374 HydrophobicContact CG-CD1 4.25Å; F353-L374 HydrophobicContact CZ-CD1 3.7Å; F353-P375 HydrophobicContact CZ-CG 4.43Å; F353-P387 HydrophobicContact CB-CG 4.1Å; F353-Y436 HydrophobicContact CB-CD1 4.11Å; F353-Y436 HydrophobicContact CD2-CD1 4.11Å; F353-Y436 AromaticContact CD2-CE1 3.73Å; F353-Y436 HydrophobicContact CD2-CE1 3.73Å; F353-Y436 HydrophobicContact CE2-CE1 4.49Å
354	T	90.5	Very high	89.8	Confident	55 Å²	55	29 Å²	29	34%	0.337	16%	0.162	S	C	.	.	H	α-helix	trans	-60.7	-47.8	175.4	-58.4	0	0	0	0	111	S350 D351 L357 S358	S350-T354 WeakPolarHBondContact O-CB 3.32Å; S350-T354 PolarHBondContact O-N 2.93Å; S350-T354 VanDerWaalsContact O-N 3.1Å; S350-T354 PolarHBondContact O-OG1 2.92Å; D351-T354 PolarHBondContact O-N 3.15Å; T354-L357 PolarHBondContact O-N 3.2Å; T354-S358 WeakPolarHBondContact O-CB 3.3Å; T354-S358 PolarHBondContact O-N 2.98Å
355	D	92.6	Very high	91	Very high	55 Å²	55	28.4 Å²	28.4	29%	0.294	16%	0.156	S	C	.	.	H	α-helix	trans	-65.9	-40.3	177.8	-67.4	-21.9	0	0	0	111.3	Y347 D351 S358 F359	Y347-D355 WeakPolarHBondContact CE2-OD2 3.48Å; Y347-D355 VanDerWaalsContact OH-CB 3.29Å; Y347-D355 WeakPolarHBondContact OH-CB 3.01Å; Y347-D355 PolarHBondContact OH-OD2 2.7Å; D351-D355 VanDerWaalsContact O-CB 3.32Å; D351-D355 WeakPolarHBondContact O-CB 3.19Å; D351-D355 PolarHBondContact O-N 3.34Å; D355-S358 PolarHBondContact O-N 3.05Å; D355-F359 WeakPolarHBondContact O-CB 3.25Å; D355-F359 PolarHBondContact O-N 3.2Å
356	L	95.7	Very high	91.9	Very high	6 Å²	6	30.9 Å²	30.9	3%	0.031	17%	0.17	C	C	.	.	H	α-helix	trans	-62	-46.2	177.4	179.2	63.3	0	0	0	112.1	P224 I307 T309 P311 I352 F353 F359 A360 L370 Y372	P224-L356 HydrophobicContact CG-CD1 3.72Å; I307-L356 HydrophobicContact CG2-CD1 4.5Å; T309-L356 HydrophobicContact CG2-CD1 4.01Å; T309-L356 HydrophobicContact CG2-CD2 3.78Å; P311-L356 HydrophobicContact CG-CD2 4.09Å; I352-L356 WeakPolarHBondContact O-CB 3.22Å; I352-L356 PolarHBondContact O-N 3.32Å; F353-L356 HydrophobicContact CD1-CD2 4.44Å; F353-L356 PolarHBondContact O-N 2.83Å; L356-F359 PolarHBondContact O-N 3.32Å; L356-A360 WeakPolarHBondContact O-CB 3.49Å; L356-A360 PolarHBondContact O-N 3.15Å; L356-L370 HydrophobicContact CD1-CD1 4.06Å; L356-L370 HydrophobicContact CD2-CD1 4.42Å; L356-L370 HydrophobicContact CG-CD1 4.17Å; L356-L370 HydrophobicContact CG-CD2 4.29Å; L356-Y372 HydrophobicContact CD2-CD1 4.49Å; L356-Y372 HydrophobicContact CD2-CD2 4.2Å; L356-Y372 HydrophobicContact CD2-CG 3.96Å
357	L	95.3	Very high	92.8	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.021	16%	0.158	C	C	.	.	H	α-helix	trans	-66.6	-42.6	179.2	-91.4	68.8	0	0	0	111.1	F353 T354 A360 A361 L370 Y372 P387 H389 L392 M413	F353-L357 WeakPolarHBondContact O-CB 3.29Å; F353-L357 WeakPolarHBondContact O-CD1 3.34Å; F353-L357 PolarHBondContact O-N 3.32Å; T354-L357 PolarHBondContact O-N 3.2Å; L357-A360 PolarHBondContact O-N 3.36Å; L357-A361 WeakPolarHBondContact O-CB 3.01Å; L357-A361 PolarHBondContact O-N 2.53Å; L357-L370 HydrophobicContact CD1-CD2 4.16Å; L357-L370 HydrophobicContact CG-CD2 4.42Å; L357-Y372 HydrophobicContact CD1-CE1 4.25Å; L357-P387 HydrophobicContact CD1-CG 4.35Å; L357-P387 HydrophobicContact CD2-CB 3.99Å; L357-P387 HydrophobicContact CD2-CG 4.35Å; L357-P387 WeakPolarHBondContact CD2-O 3.2Å; L357-H389 HydrophobicContact CB-CB 4.21Å; L357-H389 HydrophobicContact CD2-CB 4.13Å; L357-L392 HydrophobicContact CB-CD1 4.3Å; L357-L392 HydrophobicContact CG-CD1 4.11Å; L357-M413 HydrophobicContact CD2-CE 4.26Å; L357-M413 HydrophobicContact CD2-SD 4.23Å; L357-M413 HydrophobicContact CG-SD 4.26Å
358	S	93.9	Very high	93.4	Very high	46 Å²	46	28.3 Å²	28.3	32%	0.322	16%	0.16	S	C	.	.	H	α-helix	trans	-61.3	-45.1	173.9	-178.8	0	0	0	0	111.3	T354 D355 A360 A361 H362	T354-S358 WeakPolarHBondContact O-CB 3.3Å; T354-S358 PolarHBondContact O-N 2.98Å; D355-S358 PolarHBondContact O-N 3.05Å; S358-A360 PolarHBondContact O-N 2.95Å; S358-A361 PolarHBondContact O-N 3.13Å; S358-H362 PolarHBondContact O-N 2.92Å; S358-H362 PolarHBondContact O-ND1 3.36Å
359	F	95.7	Very high	94.1	Very high	18 Å²	18	24.5 Å²	24.5	8%	0.079	14%	0.142	C	C	.	.	H	α-helix	trans	-58.9	-47.2	176.8	-178.1	-95	0	0	0	111.4	F222 P296 W298 F304 I307 D355 L356 H362 H363	F222-F359 AromaticContact CD1-CE1 3.66Å; F222-F359 HydrophobicContact CD1-CE1 3.66Å; F222-F359 HydrophobicContact CD1-CZ 4.07Å; F222-F359 AromaticContact CE1-CE1 3.55Å; F222-F359 HydrophobicContact CE1-CE1 3.55Å; F222-F359 AromaticContact CE1-CZ 3.68Å; F222-F359 HydrophobicContact CE1-CZ 3.68Å; P296-F359 HydrophobicContact CB-CD2 3.73Å; P296-F359 HydrophobicContact CB-CE2 3.77Å; P296-F359 HydrophobicContact CG-CD2 4.27Å; W298-F359 HydrophobicContact CB-CE2 4.3Å; W298-F359 AromaticContact CD1-CE2 3.36Å; W298-F359 AromaticContact CD1-CZ 3.54Å; W298-F359 AromaticContact CG-CE2 3.98Å; W298-F359 HydrophobicContact CG-CE2 3.98Å; W298-F359 HydrophobicContact CG-CZ 4.07Å; W298-F359 AromaticContact NE1-CZ 3.81Å; F304-F359 HydrophobicContact CD2-CE1 4.39Å; F304-F359 HydrophobicContact CE2-CE1 4.12Å; F304-F359 AromaticContact CE2-CZ 3.85Å; F304-F359 HydrophobicContact CE2-CZ 3.85Å; I307-F359 HydrophobicContact CD1-CD1 3.82Å; I307-F359 HydrophobicContact CD1-CE1 3.81Å; D355-F359 WeakPolarHBondContact O-CB 3.25Å; D355-F359 PolarHBondContact O-N 3.2Å; L356-F359 PolarHBondContact O-N 3.32Å; F359-H362 PolarHBondContact O-N 2.91Å; F359-H363 AromaticContact CD2-CE1 3.61Å; F359-H363 AromaticContact CD2-ND1 3.35Å; F359-H363 WeakPolarHBondContact CD2-ND1 3.11Å; F359-H363 HydrophobicContact CE1-CB 4.17Å; F359-H363 HydrophobicContact CE2-CB 4.46Å; F359-H363 AromaticContact CE2-CE1 3.56Å; F359-H363 AromaticContact CE2-CG 3.79Å; F359-H363 AromaticContact CE2-ND1 3.35Å; F359-H363 WeakPolarHBondContact CE2-ND1 3.29Å; F359-H363 AromaticContact CG-ND1 3.84Å; F359-H363 HydrophobicContact CZ-CB 4.11Å; F359-H363 AromaticContact CZ-CG 3.9Å; F359-H363 AromaticContact CZ-ND1 3.87Å; F359-H363 WeakPolarHBondContact O-CB 3.32Å; F359-H363 PolarHBondContact O-N 3.45Å; F359-H363 PolarHBondContact O-ND1 2.84Å
360	A	97.3	Very high	94.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.6	-42.2	178	0	0	0	0	0	112.4	I307 L356 L357 S358 H362 H363 L364 L370 L392	I307-A360 HydrophobicContact CD1-CB 4.04Å; L356-A360 WeakPolarHBondContact O-CB 3.49Å; L356-A360 PolarHBondContact O-N 3.15Å; L357-A360 PolarHBondContact O-N 3.36Å; S358-A360 PolarHBondContact O-N 2.95Å; A360-H362 VanDerWaalsContact C-N 3.26Å; A360-H362 PolarHBondContact O-N 3.36Å; A360-H363 PolarHBondContact O-N 3.2Å; A360-L364 HydrophobicContact CB-CD1 3.86Å; A360-L364 HydrophobicContact CB-CG 4.34Å; A360-L364 VanDerWaalsContact O-CB 3.22Å; A360-L364 WeakPolarHBondContact O-CB 3.32Å; A360-L364 WeakPolarHBondContact O-CG 3.41Å; A360-L364 PolarHBondContact O-N 3Å; A360-L370 HydrophobicContact CB-CB 4.07Å; A360-L370 HydrophobicContact CB-CD1 4.21Å; A360-L370 HydrophobicContact CB-CD2 3.75Å; A360-L370 HydrophobicContact CB-CG 4.2Å; A360-L392 HydrophobicContact CB-CD1 4.19Å
361	A	96	Very high	95.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58.8	-37.8	176.5	0	0	0	0	0	112.6	L357 S358 H389 C391 K415	L357-A361 WeakPolarHBondContact O-CB 3.01Å; L357-A361 PolarHBondContact O-N 2.53Å; S358-A361 PolarHBondContact O-N 3.13Å; A361-H389 WeakPolarHBondContact CB-CE1 3.03Å; A361-C391 HydrophobicContact CB-CB 3.95Å; A361-K415 VanDerWaalsContact O-CE 3.24Å; A361-K415 WeakPolarHBondContact O-CE 3.08Å; A361-K415 PolarHBondContact O-NZ 3.31Å
362	H	95.2	Very high	95.9	Very high	66 Å²	66	21.4 Å²	21.4	31%	0.306	13%	0.125	S	C	.	.	H	α-helix	trans	-82.9	-33	-179.3	-69.8	86.2	0	0	0	114.1	A301 S358 F359 A360	A301-H362 CarbonylContact C-O 3.48Å; S358-H362 PolarHBondContact O-N 2.92Å; S358-H362 PolarHBondContact O-ND1 3.36Å; F359-H362 PolarHBondContact O-N 2.91Å; A360-H362 VanDerWaalsContact C-N 3.26Å; A360-H362 PolarHBondContact O-N 3.36Å
363	H	97.1	Very high	96.2	Very high	10 Å²	10	21.4 Å²	21.4	5%	0.046	13%	0.125	C	C	.	.	H	α-helix	trans	-113.5	-11.7	-167.4	-56.1	88.2	0	0	0	115.2	R299 A301 L303 F304 F359 A360	R299-H363 PolarHBondContact O-CD2 3.15Å; R299-H363 PolarHBondContact O-NE2 2.96Å; A301-H363 WeakPolarHBondContact O-CA 3.42Å; A301-H363 PolarHBondContact O-CD2 3.38Å; L303-H363 PolarHBondContact N-O 2.95Å; F304-H363 HydrophobicContact CD2-CB 3.89Å; F304-H363 HydrophobicContact CE2-CB 4.11Å; F304-H363 PolarHBondContact N-O 3.08Å; F359-H363 AromaticContact CD2-CE1 3.61Å; F359-H363 AromaticContact CD2-ND1 3.35Å; F359-H363 WeakPolarHBondContact CD2-ND1 3.11Å; F359-H363 HydrophobicContact CE1-CB 4.17Å; F359-H363 HydrophobicContact CE2-CB 4.46Å; F359-H363 AromaticContact CE2-CE1 3.56Å; F359-H363 AromaticContact CE2-CG 3.79Å; F359-H363 AromaticContact CE2-ND1 3.35Å; F359-H363 WeakPolarHBondContact CE2-ND1 3.29Å; F359-H363 AromaticContact CG-ND1 3.84Å; F359-H363 HydrophobicContact CZ-CB 4.11Å; F359-H363 AromaticContact CZ-CG 3.9Å; F359-H363 AromaticContact CZ-ND1 3.87Å; F359-H363 WeakPolarHBondContact O-CB 3.32Å; F359-H363 PolarHBondContact O-N 3.45Å; F359-H363 PolarHBondContact O-ND1 2.84Å; A360-H363 PolarHBondContact O-N 3.2Å
364	L	98.1	Very high	96.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	145.6	167.3	-74.9	171.8	0	0	0	111	F304 I307 A360 L370 K415	F304-L364 WeakPolarHBondContact O-CA 3.2Å; I307-L364 HydrophobicContact CB-CD2 4.26Å; I307-L364 HydrophobicContact CD1-CD1 4.43Å; I307-L364 HydrophobicContact CD1-CD2 3.89Å; I307-L364 HydrophobicContact CD1-CG 3.75Å; I307-L364 HydrophobicContact CG1-CD2 3.69Å; I307-L364 HydrophobicContact CG1-CG 4.14Å; A360-L364 HydrophobicContact CB-CD1 3.86Å; A360-L364 HydrophobicContact CB-CG 4.34Å; A360-L364 VanDerWaalsContact O-CB 3.22Å; A360-L364 WeakPolarHBondContact O-CB 3.32Å; A360-L364 WeakPolarHBondContact O-CG 3.41Å; A360-L364 PolarHBondContact O-N 3Å; L364-L370 HydrophobicContact CD1-CB 3.96Å; L364-K415 HydrophobicContact CB-CB 4.23Å; L364-K415 HydrophobicContact CB-CD 3.91Å; L364-K415 WeakPolarHBondContact O-CD 3.29Å; L364-K415 WeakPolarHBondContact O-CE 3.48Å; L364-K415 PolarHBondContact O-NZ 3.35Å
365	V	97.7	Very high	96.5	Very high	42 Å²	42	18.8 Å²	18.8	26%	0.255	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	155.9	161.7	-57.2	0	0	0	0	110.8	A302 F304 G367 G368	A302-V365 HydrophobicContact CB-CG1 4.22Å; F304-V365 PolarHBondContact O-N 3.1Å; V365-G367 PolarHBondContact O-N 2.82Å; V365-G368 WeakPolarHBondContact O-CA 3.07Å; V365-G368 PolarHBondContact O-N 3.1Å
366	L	97.5	Very high	96.4	Very high	101 Å²	101	16.1 Å²	16.1	53%	0.529	10%	0.095	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	133.8	171.7	-71.3	172	0	0	0	110.7	G368 K415 E418	L366-G368 PolarHBondContact O-N 2.78Å; L366-K415 HydrophobicContact CD2-CG 4.28Å; L366-E418 HydrophobicContact CD2-CG 4.47Å; L366-E418 WeakPolarHBondContact CG-OE1 3.32Å
367	G	96.4	Very high	96.1	Very high	30 Å²	30	16.9 Å²	16.9	31%	0.309	10%	0.098	S	C	.	.	E	Extended strand (participates in β ladder)	trans	75.4	-5.3	-174.1	0	0	0	0	0	114.9	K214 V365 K415	K214-G367 PolarHBondContact NZ-O 2.87Å; V365-G367 PolarHBondContact O-N 2.82Å; G367-K415 PolarHBondContact N-O 2.71Å
368	G	97.7	Very high	95.7	Very high	5 Å²	5	21.1 Å²	21.1	5%	0.052	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	156.5	170.6	0	0	0	0	0	111.6	D305 V365 L366 E414 K415	D305-G368 WeakPolarHBondContact O-CA 3.21Å; V365-G368 WeakPolarHBondContact O-CA 3.07Å; V365-G368 PolarHBondContact O-N 3.1Å; L366-G368 PolarHBondContact O-N 2.78Å; G368-E414 WeakPolarHBondContact O-CA 3.08Å; G368-K415 PolarHBondContact O-N 3.21Å
369	R	98.4	Very high	95.4	Very high	11 Å²	11	23.2 Å²	23.2	4%	0.042	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	138.9	-172.9	-72	-175.9	177.6	-177.6	-2.2	113.7	S30 H212 K214 D305 A306 I307 V371 M413 E414	S30-R369 PolarHBondContact OG-NH1 3.47Å; H212-R369 WeakPolarHBondContact O-CD 3.18Å; H212-R369 PolarHBondContact O-NH1 3.3Å; K214-R369 VanDerWaalsContact CE-NE 3.28Å; D305-R369 PolarHBondContact O-N 2.83Å; A306-R369 WeakPolarHBondContact CA-O 3.31Å; I307-R369 PolarHBondContact N-O 3.38Å; R369-V371 HydrophobicContact CB-CG2 4.49Å; R369-M413 CarbonylContact C-O 3.48Å; R369-M413 WeakPolarHBondContact CA-O 3.3Å; R369-M413 WeakPolarHBondContact CB-O 3.17Å; R369-E414 HydrophobicContact CG-CB 4.15Å; R369-E414 HydrophobicContact CG-CG 4.12Å; R369-E414 IonicContact CZ-OE2 3.09Å; R369-E414 IonicContact NE-OE2 3.87Å; R369-E414 PolarHBondContact NE-OE2 3.06Å; R369-E414 IonicContact NH2-OE2 2.72Å; R369-E414 PolarHBondContact NH2-OE2 3.14Å
370	L	98.8	Very high	95	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124.2	163.2	173.5	65.3	0	0	0	108.3	I307 L356 L357 A360 L364 Y372 L392 T412 M413	I307-L370 HydrophobicContact CB-CD1 3.82Å; I307-L370 HydrophobicContact CG2-CD1 3.54Å; I307-L370 CarbonylContact O-C 3.6Å; I307-L370 WeakPolarHBondContact O-CA 3.33Å; L356-L370 HydrophobicContact CD1-CD1 4.06Å; L356-L370 HydrophobicContact CD2-CD1 4.42Å; L356-L370 HydrophobicContact CG-CD1 4.17Å; L356-L370 HydrophobicContact CG-CD2 4.29Å; L357-L370 HydrophobicContact CD1-CD2 4.16Å; L357-L370 HydrophobicContact CG-CD2 4.42Å; A360-L370 HydrophobicContact CB-CB 4.07Å; A360-L370 HydrophobicContact CB-CD1 4.21Å; A360-L370 HydrophobicContact CB-CD2 3.75Å; A360-L370 HydrophobicContact CB-CG 4.2Å; L364-L370 HydrophobicContact CD1-CB 3.96Å; L370-Y372 HydrophobicContact CD1-CD1 4.4Å; L370-Y372 HydrophobicContact CD2-CD1 3.83Å; L370-Y372 HydrophobicContact CD2-CE1 3.95Å; L370-Y372 HydrophobicContact CG-CD1 3.78Å; L370-Y372 HydrophobicContact CG-CE1 4.32Å; L370-L392 HydrophobicContact CD2-CD1 4.33Å; L370-T412 CarbonylContact O-C 3.5Å; L370-T412 WeakPolarHBondContact O-CA 3.37Å; L370-M413 HydrophobicContact CB-CB 4.44Å; L370-M413 PolarHBondContact N-O 3.43Å; L370-M413 PolarHBondContact O-N 3.23Å
371	V	98.8	Very high	94.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	115.9	176.9	-178.7	0	0	0	0	109.3	M209 H212 A213 I307 V308 T309 R369 L410 I411 T412	M209-V371 HydrophobicContact CB-CG1 4.13Å; M209-V371 HydrophobicContact CE-CG1 4.08Å; M209-V371 HydrophobicContact CG-CG1 4.17Å; H212-V371 HydrophobicContact CB-CG1 4.11Å; H212-V371 HydrophobicContact CB-CG2 3.98Å; A213-V371 HydrophobicContact CB-CG2 3.83Å; I307-V371 PolarHBondContact O-N 2.9Å; V308-V371 CarbonylContact C-O 3.58Å; V308-V371 WeakPolarHBondContact CA-O 3.35Å; V308-V371 HydrophobicContact CG1-CB 4.27Å; T309-V371 PolarHBondContact N-O 3.44Å; R369-V371 HydrophobicContact CB-CG2 4.49Å; V371-L410 HydrophobicContact CG1-CD1 3.68Å; V371-L410 HydrophobicContact CG1-CG 4.24Å; V371-I411 WeakPolarHBondContact CA-O 3.1Å; V371-T412 HydrophobicContact CG2-CG2 3.98Å
372	Y	98.5	Very high	94.1	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	156.6	-175.2	71.2	-79.4	0	0	0	113.3	T309 F353 L356 L357 L370 L374 P387 I411 M413	T309-Y372 VanDerWaalsContact O-CA 3.25Å; T309-Y372 WeakPolarHBondContact O-CA 3.45Å; F353-Y372 AromaticContact CD1-CD2 3.82Å; F353-Y372 HydrophobicContact CD1-CD2 3.82Å; F353-Y372 AromaticContact CD1-CE2 3.62Å; F353-Y372 HydrophobicContact CD1-CE2 3.62Å; F353-Y372 AromaticContact CE1-CD2 3.67Å; F353-Y372 HydrophobicContact CE1-CD2 3.67Å; F353-Y372 AromaticContact CE1-CE2 3.8Å; F353-Y372 HydrophobicContact CE1-CE2 3.8Å; L356-Y372 HydrophobicContact CD2-CD1 4.49Å; L356-Y372 HydrophobicContact CD2-CD2 4.2Å; L356-Y372 HydrophobicContact CD2-CG 3.96Å; L357-Y372 HydrophobicContact CD1-CE1 4.25Å; L370-Y372 HydrophobicContact CD1-CD1 4.4Å; L370-Y372 HydrophobicContact CD2-CD1 3.83Å; L370-Y372 HydrophobicContact CD2-CE1 3.95Å; L370-Y372 HydrophobicContact CG-CD1 3.78Å; L370-Y372 HydrophobicContact CG-CE1 4.32Å; Y372-L374 HydrophobicContact CE2-CB 4.13Å; Y372-P387 WeakPolarHBondContact OH-CG 3.19Å; Y372-I411 HydrophobicContact CD1-CB 4Å; Y372-I411 HydrophobicContact CD1-CG2 4.3Å; Y372-I411 HydrophobicContact CE1-CB 3.53Å; Y372-I411 HydrophobicContact CE1-CG1 4.39Å; Y372-I411 HydrophobicContact CE1-CG2 3.45Å; Y372-I411 VanDerWaalsContact CE1-CG2 3.45Å; Y372-I411 HydrophobicContact CE2-CB 4.09Å; Y372-I411 HydrophobicContact CE2-CG1 4.11Å; Y372-I411 HydrophobicContact CG-CB 4.49Å; Y372-I411 PolarHBondContact N-O 3.11Å; Y372-I411 PolarHBondContact O-N 3.14Å; Y372-I411 WeakPolarHBondContact OH-CG2 3.41Å; Y372-M413 HydrophobicContact CE1-CE 4.17Å; Y372-M413 HydrophobicContact CE1-SD 4.15Å; Y372-M413 WeakPolarHBondContact OH-CE 3.49Å
373	W	97.4	Very high	93.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	132.7	171.5	-69.5	103.1	0	0	0	112.3	F23 M201 L205 M209 T309 D310 Y313 F353 Q400 R408 R409 L410	F23-W373 AromaticContact CE1-CH2 3.55Å; F23-W373 HydrophobicContact CE1-CH2 3.55Å; F23-W373 HydrophobicContact CE1-CZ2 4.39Å; F23-W373 HydrophobicContact CE1-CZ3 4.17Å; F23-W373 AromaticContact CZ-CH2 3.56Å; F23-W373 HydrophobicContact CZ-CH2 3.56Å; F23-W373 HydrophobicContact CZ-CZ3 4.03Å; M201-W373 VanDerWaalsContact CE-NE1 3.28Å; L205-W373 HydrophobicContact CB-CZ2 4.46Å; L205-W373 HydrophobicContact CD1-CZ2 4.34Å; L205-W373 HydrophobicContact CD2-CH2 4.23Å; L205-W373 HydrophobicContact CD2-CZ2 4.1Å; M209-W373 PolarHBondContact SD-NE1 3.26Å; T309-W373 PolarHBondContact O-N 2.84Å; D310-W373 VanDerWaalsContact OD1-CB 3.32Å; D310-W373 WeakPolarHBondContact OD1-CB 2.97Å; Y313-W373 WeakPolarHBondContact OH-CB 3.49Å; F353-W373 WeakPolarHBondContact CE1-O 3.21Å; W373-Q400 HydrophobicContact CH2-CB 3.95Å; W373-Q400 HydrophobicContact CZ3-CB 3.85Å; W373-R408 HydrophobicContact CD2-CG 4.19Å; W373-R408 HydrophobicContact CE3-CB 3.9Å; W373-R408 HydrophobicContact CE3-CG 3.47Å; W373-R408 VanDerWaalsContact CE3-CG 3.47Å; W373-R408 HydrophobicContact CZ3-CB 4.46Å; W373-R408 HydrophobicContact CZ3-CG 3.71Å; W373-R409 CarbonylContact C-O 3.47Å; W373-R409 WeakPolarHBondContact CA-O 3.14Å; W373-L410 HydrophobicContact CD2-CB 4.3Å; W373-L410 HydrophobicContact CD2-CD1 3.95Å; W373-L410 HydrophobicContact CE3-CB 3.81Å; W373-L410 HydrophobicContact CE3-CD1 4.32Å; W373-L410 HydrophobicContact CG-CD1 4.38Å; W373-L410 HydrophobicContact CH2-CB 3.75Å; W373-L410 HydrophobicContact CH2-CD1 4.45Å; W373-L410 HydrophobicContact CH2-CG 4.5Å; W373-L410 HydrophobicContact CZ2-CB 4.2Å; W373-L410 HydrophobicContact CZ2-CD1 4.05Å; W373-L410 HydrophobicContact CZ3-CB 3.53Å
374	L	94.8	Very high	93.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	114.7	173.7	178.4	67.6	0	0	0	109.3	F353 Y372 V376 V386 R408 R409 I411	F353-L374 HydrophobicContact CD1-CD1 4.33Å; F353-L374 HydrophobicContact CD2-CD1 3.85Å; F353-L374 HydrophobicContact CE1-CD1 4.07Å; F353-L374 HydrophobicContact CE2-CD1 3.56Å; F353-L374 HydrophobicContact CG-CD1 4.25Å; F353-L374 HydrophobicContact CZ-CD1 3.7Å; Y372-L374 HydrophobicContact CE2-CB 4.13Å; L374-V376 HydrophobicContact CD2-CG1 4.28Å; L374-V376 HydrophobicContact CG-CG1 4.08Å; L374-V386 HydrophobicContact CD2-CG2 4.33Å; L374-R408 CarbonylContact O-C 3.55Å; L374-R408 WeakPolarHBondContact O-CA 3.39Å; L374-R409 HydrophobicContact CB-CB 4.33Å; L374-R409 PolarHBondContact N-O 3.08Å; L374-R409 PolarHBondContact O-N 3.36Å; L374-I411 HydrophobicContact CB-CG1 4.01Å; L374-I411 HydrophobicContact CD2-CG1 4.38Å
375	P	93	Very high	92.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	134.8	176.1	29.4	-33.4	0	0	0	110.8	Y313 L349 F353 H439 F442	Y313-P375 HydrophobicContact CD1-CB 3.91Å; Y313-P375 HydrophobicContact CD1-CG 3.53Å; Y313-P375 HydrophobicContact CD2-CB 3.82Å; Y313-P375 HydrophobicContact CD2-CG 4.35Å; Y313-P375 HydrophobicContact CE1-CB 4.19Å; Y313-P375 HydrophobicContact CE1-CG 3.98Å; Y313-P375 HydrophobicContact CE2-CB 4.06Å; Y313-P375 HydrophobicContact CG-CB 3.76Å; Y313-P375 HydrophobicContact CG-CG 3.79Å; L349-P375 HydrophobicContact CD1-CG 4.31Å; F353-P375 HydrophobicContact CZ-CG 4.43Å; P375-H439 PolarHBondContact O-CD2 2.97Å; P375-H439 PolarHBondContact O-NE2 2.55Å; P375-F442 HydrophobicContact CB-CD1 3.94Å; P375-F442 HydrophobicContact CB-CD2 4.32Å; P375-F442 HydrophobicContact CB-CE1 3.5Å; P375-F442 HydrophobicContact CB-CE2 3.95Å; P375-F442 HydrophobicContact CB-CG 4.33Å; P375-F442 HydrophobicContact CB-CZ 3.53Å; P375-F442 HydrophobicContact CG-CD1 4.31Å; P375-F442 HydrophobicContact CG-CE1 4.3Å
376	V	90.8	Very high	92.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	146.5	-177.2	-54	0	0	0	0	113.1	L374 Y381 S407 R409	L374-V376 HydrophobicContact CD2-CG1 4.28Å; L374-V376 HydrophobicContact CG-CG1 4.08Å; V376-Y381 HydrophobicContact CB-CD2 3.68Å; V376-Y381 HydrophobicContact CB-CE2 4.4Å; V376-Y381 HydrophobicContact CB-CG 4.28Å; V376-Y381 HydrophobicContact CG1-CD2 3.54Å; V376-Y381 HydrophobicContact CG1-CE2 3.81Å; V376-Y381 HydrophobicContact CG2-CD2 3.97Å; V376-Y381 HydrophobicContact CG2-CG 4.23Å; V376-S407 WeakPolarHBondContact CG2-OG 3.45Å; V376-S407 PolarHBondContact N-O 3.36Å; V376-S407 PolarHBondContact O-N 3.14Å; V376-S407 VanDerWaalsContact O-O 3.04Å; V376-R409 HydrophobicContact CG1-CG 3.89Å; V376-R409 HydrophobicContact CG2-CG 4.09Å
377	H	89.1	Confident	91.9	Very high	21 Å²	21	37.6 Å²	37.6	10%	0.097	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	110.7	169.7	-172.8	58.5	0	0	0	109.3	E380 Y381 H405 K445	H377-E380 IonicContact CD2-OE1 3.26Å; H377-E380 PolarHBondContact O-N 3.08Å; H377-E380 VanDerWaalsContact O-N 3.13Å; H377-Y381 PolarHBondContact O-N 2.99Å; H377-Y381 VanDerWaalsContact O-N 3.14Å; H377-H405 PolarHBondContact ND1-O 2.7Å; H377-K445 HydrophobicContact CB-CD 4.39Å
378	R	88.7	Confident	91.7	Very high	94 Å²	94	38.8 Å²	38.8	36%	0.355	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-55.4	-43.9	-167.8	-63.1	179.6	78.6	-137.5	3	114.6	E380 Y381 E399 S404 H405 S407	R378-E380 PolarHBondContact O-N 3.28Å; R378-Y381 PolarHBondContact O-N 3.19Å; R378-E399 IonicContact CZ-OE1 3.55Å; R378-E399 IonicContact NE-OE1 2.55Å; R378-E399 PolarHBondContact NE-OE1 3.29Å; R378-E399 IonicContact NH2-OE1 3.71Å; R378-S404 PolarHBondContact NH1-O 2.89Å; R378-S404 VanDerWaalsContact NH1-O 3.14Å; R378-H405 PolarHBondContact N-O 3.12Å; R378-S407 VanDerWaalsContact CG-OG 3.23Å; R378-S407 WeakPolarHBondContact CG-OG 3.4Å
379	P	87.6	Confident	91.5	Very high	89 Å²	89	40 Å²	40	58%	0.578	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-63.6	-21.4	-178.9	-24.5	35.4	0	0	0	115.2
380	E	86	Confident	91.2	Very high	93 Å²	93	40.5 Å²	40.5	44%	0.435	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-112.3	-1.5	-176.2	-65.4	173.2	-167.5	0	0	112.3	H377 R378 K445	H377-E380 IonicContact CD2-OE1 3.26Å; H377-E380 PolarHBondContact O-N 3.08Å; H377-E380 VanDerWaalsContact O-N 3.13Å; R378-E380 PolarHBondContact O-N 3.28Å; E380-K445 IonicContact OE1-NZ 2.77Å; E380-K445 PolarHBondContact OE1-NZ 3.21Å; E380-K445 IonicContact OE2-NZ 2.76Å; E380-K445 PolarHBondContact OE2-NZ 3.08Å
381	Y	88.3	Confident	91.1	Very high	35 Å²	35	40.5 Å²	40.5	14%	0.137	20%	0.202	C	C	.	.			trans	-75.2	129.5	-173.6	173.8	-95	0	0	0	111.2	V376 H377 R378 N397 R409	V376-Y381 HydrophobicContact CB-CD2 3.68Å; V376-Y381 HydrophobicContact CB-CE2 4.4Å; V376-Y381 HydrophobicContact CB-CG 4.28Å; V376-Y381 HydrophobicContact CG1-CD2 3.54Å; V376-Y381 HydrophobicContact CG1-CE2 3.81Å; V376-Y381 HydrophobicContact CG2-CD2 3.97Å; V376-Y381 HydrophobicContact CG2-CG 4.23Å; H377-Y381 PolarHBondContact O-N 2.99Å; H377-Y381 VanDerWaalsContact O-N 3.14Å; R378-Y381 PolarHBondContact O-N 3.19Å; Y381-N397 PolarHBondContact OH-ND2 3.01Å; Y381-R409 VanDerWaalsContact CE1-NE 3.25Å; Y381-R409 VanDerWaalsContact CE1-NH2 3.3Å; Y381-R409 HydrophobicContact CE2-CG 3.87Å; Y381-R409 VanDerWaalsContact CZ-NE 3.3Å
382	C	86.6	Confident	91	Very high	55 Å²	55	41 Å²	41	37%	0.372	21%	0.205	S	C	.	.			trans	-133.7	158.7	164	69.9	0	0	0	0	110.2	E384 M385	C382-E384 WeakPolarHBondContact CB-OE2 3.34Å; C382-E384 PolarHBondContact O-N 2.94Å; C382-E384 PolarHBondContact SG-OE2 2.95Å; C382-M385 PolarHBondContact N-SD 3.17Å; C382-M385 VanDerWaalsContact O-CB 3.28Å; C382-M385 WeakPolarHBondContact O-CB 3.3Å; C382-M385 WeakPolarHBondContact O-CG 3.19Å; C382-M385 PolarHBondContact O-N 2.95Å; C382-M385 VanDerWaalsContact O-N 3.08Å; C382-M385 VanDerWaalsContact SG-CG 3.57Å
383	E	86.2	Confident	91	Very high	138 Å²	138	45.2 Å²	45.2	65%	0.645	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-66.6	-26.1	-172.6	-66.6	-169.7	173.6	0	0	112.9	M385 V386	E383-M385 PolarHBondContact O-N 3Å; E383-M385 VanDerWaalsContact O-N 3.14Å; E383-V386 WeakPolarHBondContact O-CB 3.25Å; E383-V386 WeakPolarHBondContact O-CG2 3.25Å; E383-V386 PolarHBondContact O-N 2.96Å; E383-V386 VanDerWaalsContact O-N 3.1Å
384	E	85.2	Confident	91	Very high	161 Å²	161	48.2 Å²	48.2	75%	0.752	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-65.6	-13.3	175.5	-56	78.1	-171.6	0	0	112.6	C382 V386	C382-E384 WeakPolarHBondContact CB-OE2 3.34Å; C382-E384 PolarHBondContact O-N 2.94Å; C382-E384 PolarHBondContact SG-OE2 2.95Å; E384-V386 VanDerWaalsContact C-N 3.3Å
385	M	85.9	Confident	91.1	Very high	42 Å²	42	51.4 Å²	51.4	21%	0.207	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-79.2	-11.2	174.9	-57.3	-179.4	73.7	0	0	113.3	C382 E383 Y436 H439	C382-M385 PolarHBondContact N-SD 3.17Å; C382-M385 VanDerWaalsContact O-CB 3.28Å; C382-M385 WeakPolarHBondContact O-CB 3.3Å; C382-M385 WeakPolarHBondContact O-CG 3.19Å; C382-M385 PolarHBondContact O-N 2.95Å; C382-M385 VanDerWaalsContact O-N 3.08Å; C382-M385 VanDerWaalsContact SG-CG 3.57Å; E383-M385 PolarHBondContact O-N 3Å; E383-M385 VanDerWaalsContact O-N 3.14Å; M385-Y436 WeakPolarHBondContact O-CE2 3.23Å; M385-H439 WeakPolarHBondContact CE-CE1 3.49Å
386	V	90.9	Very high	91.3	Very high	5 Å²	5	52 Å²	52	3%	0.03	26%	0.263	C	S	.	.	S	Bend	trans	-67	123.3	175.9	178.1	0	0	0	0	108	L374 E383 E384 L394 I411 M413	L374-V386 HydrophobicContact CD2-CG2 4.33Å; E383-V386 WeakPolarHBondContact O-CB 3.25Å; E383-V386 WeakPolarHBondContact O-CG2 3.25Å; E383-V386 PolarHBondContact O-N 2.96Å; E383-V386 VanDerWaalsContact O-N 3.1Å; E384-V386 VanDerWaalsContact C-N 3.3Å; V386-L394 HydrophobicContact CG1-CD1 4.3Å; V386-I411 HydrophobicContact CG1-CD1 3.93Å; V386-I411 HydrophobicContact CG1-CG1 4.25Å; V386-I411 HydrophobicContact CG1-CG2 4.04Å; V386-I411 HydrophobicContact CG2-CD1 3.89Å; V386-M413 HydrophobicContact CG1-CE 4.04Å
387	P	90.7	Very high	91.5	Very high	10 Å²	10	53.7 Å²	53.7	7%	0.065	27%	0.272	C	S	.	.			trans	-64.6	143.9	179.4	28.3	-34.6	0	0	0	110	F353 L357 Y372 M413 Y436	F353-P387 HydrophobicContact CB-CG 4.1Å; L357-P387 HydrophobicContact CD1-CG 4.35Å; L357-P387 HydrophobicContact CD2-CB 3.99Å; L357-P387 HydrophobicContact CD2-CG 4.35Å; L357-P387 WeakPolarHBondContact CD2-O 3.2Å; Y372-P387 WeakPolarHBondContact OH-CG 3.19Å; P387-M413 WeakPolarHBondContact O-CE 3.16Å; P387-Y436 HydrophobicContact CB-CD2 3.96Å; P387-Y436 HydrophobicContact CB-CG 3.87Å; P387-Y436 HydrophobicContact CG-CD2 4.48Å; P387-Y436 HydrophobicContact CG-CG 4.46Å
388	L	91.8	Very high	91.9	Very high	55 Å²	55	52.7 Å²	52.7	29%	0.288	27%	0.268	S	S	.	.			trans	-126.7	156.9	-176.6	-60.3	172.3	0	0	0	111.2	L394 M413 R432 F433	L388-L394 HydrophobicContact CD2-CB 4.48Å; L388-M413 HydrophobicContact CD2-CE 4.38Å; L388-R432 HydrophobicContact CD1-CB 4.08Å; L388-F433 HydrophobicContact CB-CD1 3.84Å; L388-F433 HydrophobicContact CB-CE1 3.9Å
389	H	93.4	Very high	92.2	Very high	30 Å²	30	49.8 Å²	49.8	14%	0.139	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-137.7	139.3	173.8	-170.7	-82.1	0	0	0	109.6	L357 A361 C391 L392	L357-H389 HydrophobicContact CB-CB 4.21Å; L357-H389 HydrophobicContact CD2-CB 4.13Å; A361-H389 WeakPolarHBondContact CB-CE1 3.03Å; H389-C391 PolarHBondContact CE1-SG 3.42Å; H389-C391 PolarHBondContact ND1-N 3.3Å; H389-C391 VanDerWaalsContact ND1-N 3.19Å; H389-C391 PolarHBondContact O-N 3.33Å; H389-C391 VanDerWaalsContact O-N 3.09Å; H389-L392 HydrophobicContact CB-CB 4.17Å; H389-L392 HydrophobicContact CB-CD1 3.97Å; H389-L392 HydrophobicContact CB-CG 4.09Å; H389-L392 PolarHBondContact O-N 3.12Å
390	P	93.9	Very high	92.6	Very high	22 Å²	22	47.1 Å²	47.1	14%	0.143	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-30.3	-176.4	-28.1	35.6	0	0	0	115	D423 A426 F433	P390-D423 HydrophobicContact CB-CB 4.24Å; P390-D423 WeakPolarHBondContact CB-OD1 3.49Å; P390-D423 HydrophobicContact CG-CB 4.22Å; P390-A426 HydrophobicContact CB-CB 4.29Å; P390-A426 HydrophobicContact CG-CB 3.31Å; P390-F433 HydrophobicContact CG-CD1 4.12Å; P390-F433 HydrophobicContact CG-CD2 4.44Å; P390-F433 HydrophobicContact CG-CE1 4.26Å; P390-F433 HydrophobicContact CG-CG 4.22Å
391	C	96.1	Very high	92.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-8.7	178.1	-50.1	0	0	0	0	114.5	A361 H389 K415 I416 K417 P419 D423	A361-C391 HydrophobicContact CB-CB 3.95Å; H389-C391 PolarHBondContact CE1-SG 3.42Å; H389-C391 PolarHBondContact ND1-N 3.3Å; H389-C391 VanDerWaalsContact ND1-N 3.19Å; H389-C391 PolarHBondContact O-N 3.33Å; H389-C391 VanDerWaalsContact O-N 3.09Å; C391-K415 WeakPolarHBondContact O-CA 3.41Å; C391-I416 WeakPolarHBondContact O-CG1 3.32Å; C391-I416 PolarHBondContact O-N 2.92Å; C391-K417 HydrophobicContact CB-CG 4.25Å; C391-P419 VanDerWaalsContact SG-CA 3.51Å; C391-D423 PolarHBondContact SG-OD2 2.79Å
392	L	97.3	Very high	93	Very high	11 Å²	11	48.6 Å²	48.6	6%	0.058	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	123.5	-170.8	-61.8	180	0	0	0	110.7	L357 A360 L370 H389 M413 E414 K415	L357-L392 HydrophobicContact CB-CD1 4.3Å; L357-L392 HydrophobicContact CG-CD1 4.11Å; A360-L392 HydrophobicContact CB-CD1 4.19Å; L370-L392 HydrophobicContact CD2-CD1 4.33Å; H389-L392 HydrophobicContact CB-CB 4.17Å; H389-L392 HydrophobicContact CB-CD1 3.97Å; H389-L392 HydrophobicContact CB-CG 4.09Å; H389-L392 PolarHBondContact O-N 3.12Å; L392-M413 HydrophobicContact CB-CB 4.18Å; L392-M413 HydrophobicContact CB-SD 4.17Å; L392-M413 HydrophobicContact CD1-SD 4.09Å; L392-E414 WeakPolarHBondContact CA-O 3.41Å; L392-K415 HydrophobicContact CD2-CB 3.97Å; L392-K415 HydrophobicContact CD2-CG 4.44Å
393	L	97.2	Very high	93.1	Very high	88 Å²	88	47.8 Å²	47.8	46%	0.461	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	128.5	174.3	-179.5	64.2	0	0	0	110.3	I395 M413 E414 I416	L393-I395 HydrophobicContact CD2-CD1 4.07Å; L393-I395 HydrophobicContact CG-CD1 4.2Å; L393-I395 PolarHBondContact O-N 3.01Å; L393-M413 CarbonylContact O-C 3.19Å; L393-M413 WeakPolarHBondContact O-CA 3.41Å; L393-E414 PolarHBondContact N-O 2.87Å; L393-E414 PolarHBondContact O-N 3.49Å; L393-I416 HydrophobicContact CB-CD1 4.35Å; L393-I416 HydrophobicContact CB-CG2 3.62Å; L393-I416 HydrophobicContact CD2-CG2 4.21Å
394	L	97.5	Very high	93	Very high	64 Å²	64	45.1 Å²	45.1	34%	0.335	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	119.4	171.3	-179	64.5	0	0	0	110.5	V386 L388 I411 M413	V386-L394 HydrophobicContact CG1-CD1 4.3Å; L388-L394 HydrophobicContact CD2-CB 4.48Å; L394-I411 HydrophobicContact CD1-CG2 3.63Å; L394-M413 HydrophobicContact CD1-CE 4.4Å; L394-M413 HydrophobicContact CD1-CG 4.37Å
395	I	96.6	Very high	93.1	Very high	66 Å²	66	40.9 Å²	40.9	34%	0.338	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-42.8	-179.5	-58.9	-56.7	0	0	0	111.8	L393 T412 E414	L393-I395 HydrophobicContact CD2-CD1 4.07Å; L393-I395 HydrophobicContact CG-CD1 4.2Å; L393-I395 PolarHBondContact O-N 3.01Å; I395-T412 HydrophobicContact CB-CG2 4.07Å; I395-T412 WeakPolarHBondContact CB-O 3.48Å; I395-T412 HydrophobicContact CG2-CG2 4.39Å; I395-T412 PolarHBondContact N-O 3.21Å; I395-E414 HydrophobicContact CD1-CB 3.82Å; I395-E414 HydrophobicContact CG1-CB 3.69Å
396	S	96.9	Very high	93.3	Very high	14 Å²	14	39 Å²	39	10%	0.098	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	155.8	-179.8	66.6	0	0	0	0	112.6	H212 T412	H212-S396 PolarHBondContact ND1-OG 3.31Å; S396-T412 PolarHBondContact N-O 3.29Å; S396-T412 PolarHBondContact O-N 3.34Å; S396-T412 VanDerWaalsContact OG-CB 3.3Å; S396-T412 WeakPolarHBondContact OG-CB 3.46Å; S396-T412 PolarHBondContact OG-OG1 2.91Å
397	N	96.9	Very high	93.3	Very high	34 Å²	34	38.8 Å²	38.8	18%	0.182	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	95	-178.4	-179.1	5.1	0	0	0	109.8	Y381 R409 L410 I411	Y381-N397 PolarHBondContact OH-ND2 3.01Å; N397-R409 WeakPolarHBondContact OD1-CB 3.44Å; N397-R409 WeakPolarHBondContact OD1-CD 3.09Å; N397-L410 WeakPolarHBondContact CA-O 3.34Å; N397-I411 HydrophobicContact CB-CD1 4.08Å; N397-I411 VanDerWaalsContact OD1-CD1 3.24Å; N397-I411 WeakPolarHBondContact OD1-CD1 3.43Å
398	C	96.6	Very high	93.5	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.007	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	133.9	-172.1	-53.8	0	0	0	0	111.7	D22 F23 P26 R409 L410	D22-C398 HydrophobicContact CB-CB 3.97Å; D22-C398 PolarHBondContact O-SG 3.26Å; F23-C398 HydrophobicContact CD1-CB 3.67Å; F23-C398 HydrophobicContact CD2-CB 4.38Å; F23-C398 HydrophobicContact CE1-CB 3.55Å; F23-C398 HydrophobicContact CE2-CB 4.3Å; F23-C398 HydrophobicContact CG-CB 4.1Å; F23-C398 HydrophobicContact CZ-CB 3.86Å; P26-C398 VanDerWaalsContact CG-SG 3.58Å; C398-R409 CarbonylContact O-C 3.6Å; C398-R409 VanDerWaalsContact O-CA 3.26Å; C398-R409 WeakPolarHBondContact O-CA 3.22Å; C398-L410 HydrophobicContact CB-CB 4.27Å; C398-L410 PolarHBondContact N-O 3.06Å; C398-L410 PolarHBondContact O-N 2.9Å
399	E	95.8	Very high	93.7	Very high	32 Å²	32	38.3 Å²	38.3	15%	0.15	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	132.3	175.5	-149.9	169.9	168.6	0	0	113.1	D22 F23 R378 S407 R409	D22-E399 WeakPolarHBondContact OD2-CB 3.28Å; D22-E399 PolarHBondContact OD2-N 2.75Å; F23-E399 WeakPolarHBondContact CE2-O 3.17Å; R378-E399 IonicContact CZ-OE1 3.55Å; R378-E399 IonicContact NE-OE1 2.55Å; R378-E399 PolarHBondContact NE-OE1 3.29Å; R378-E399 IonicContact NH2-OE1 3.71Å; E399-S407 WeakPolarHBondContact OE1-CB 3.33Å; E399-S407 PolarHBondContact OE1-OG 2.81Å; E399-R409 IonicContact OE1-NH2 3.47Å; E399-R409 IonicContact OE2-CZ 2.85Å; E399-R409 IonicContact OE2-NH1 2.71Å; E399-R409 PolarHBondContact OE2-NH1 3.08Å; E399-R409 IonicContact OE2-NH2 2.63Å; E399-R409 PolarHBondContact OE2-NH2 2.69Å
400	Q	95.1	Very high	94	Very high	33 Å²	33	36.9 Å²	36.9	15%	0.154	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	109.6	152.7	-170.8	-176.1	17.6	0	0	110.4	F23 W373 L402 S407 R408	F23-Q400 HydrophobicContact CE2-CB 4.37Å; F23-Q400 HydrophobicContact CZ-CB 4.01Å; W373-Q400 HydrophobicContact CH2-CB 3.95Å; W373-Q400 HydrophobicContact CZ3-CB 3.85Å; Q400-L402 HydrophobicContact CG-CD2 4.39Å; Q400-L402 PolarHBondContact O-N 3.47Å; Q400-S407 VanDerWaalsContact O-CA 3.3Å; Q400-S407 WeakPolarHBondContact O-CA 3.45Å; Q400-S407 WeakPolarHBondContact O-CB 3.29Å; Q400-R408 HydrophobicContact CB-CG 4.09Å; Q400-R408 PolarHBondContact N-O 2.82Å; Q400-R408 PolarHBondContact O-N 2.97Å
401	T	93.1	Very high	94.2	Very high	77 Å²	77	35.8 Å²	35.8	47%	0.472	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	122.4	172.1	-62.5	0	0	0	0	110.3	S403	T401-S403 WeakPolarHBondContact CG2-O 3.34Å
402	L	89.5	Confident	94.3	Very high	82 Å²	82	35.8 Å²	35.8	43%	0.429	20%	0.195	S	C	.	.			trans	-99.7	-36.9	174.9	-58.1	177.1	0	0	0	111.3	Q400 T406 R408	Q400-L402 HydrophobicContact CG-CD2 4.39Å; Q400-L402 PolarHBondContact O-N 3.47Å; L402-T406 WeakPolarHBondContact CB-O 3.48Å; L402-T406 PolarHBondContact N-O 2.72Å; L402-R408 HydrophobicContact CD1-CG 4.19Å; L402-R408 HydrophobicContact CD2-CG 4.44Å; L402-R408 HydrophobicContact CG-CG 4.35Å
403	S	89	Confident	94.3	Very high	39 Å²	39	35.3 Å²	35.3	27%	0.273	19%	0.192	S	C	.	.	S	Bend	trans	-152.1	179.5	174.8	83	0	0	0	0	110.3	T401 H405 T406	T401-S403 WeakPolarHBondContact CG2-O 3.34Å; S403-H405 PolarHBondContact O-N 2.83Å; S403-H405 PolarHBondContact OG-N 3.05Å; S403-T406 WeakPolarHBondContact CB-OG1 3.49Å; S403-T406 PolarHBondContact N-O 2.66Å; S403-T406 VanDerWaalsContact O-O 3.13Å; S403-T406 PolarHBondContact OG-N 2.64Å; S403-T406 PolarHBondContact OG-OG1 2.6Å
404	S	84.9	Confident	94.4	Very high	82 Å²	82	33.1 Å²	33.1	57%	0.573	18%	0.18	S	C	*	.	S	Bend	trans	-57.5	-31.8	176.5	48.4	0	0	0	0	113.8	R378	R378-S404 PolarHBondContact NH1-O 2.89Å; R378-S404 VanDerWaalsContact NH1-O 3.14Å
405	H	86.3	Confident	94.4	Very high	71 Å²	71	30.2 Å²	30.2	33%	0.329	16%	0.164	S	C	.	.	S	Bend	trans	-110.8	-10.1	-174.6	-60.1	83.7	0	0	0	113.7	H377 R378 S403	H377-H405 PolarHBondContact ND1-O 2.7Å; R378-H405 PolarHBondContact N-O 3.12Å; S403-H405 PolarHBondContact O-N 2.83Å; S403-H405 PolarHBondContact OG-N 3.05Å
406	T	89.1	Confident	94.5	Very high	4 Å²	4	31.6 Å²	31.6	3%	0.025	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	129.5	-171.6	64.9	0	0	0	0	109.6	L402 S403 Y446	L402-T406 WeakPolarHBondContact CB-O 3.48Å; L402-T406 PolarHBondContact N-O 2.72Å; S403-T406 WeakPolarHBondContact CB-OG1 3.49Å; S403-T406 PolarHBondContact N-O 2.66Å; S403-T406 VanDerWaalsContact O-O 3.13Å; S403-T406 PolarHBondContact OG-N 2.64Å; S403-T406 PolarHBondContact OG-OG1 2.6Å; T406-Y446 HydrophobicContact CG2-CD2 3.66Å; T406-Y446 HydrophobicContact CG2-CE2 4.26Å; T406-Y446 HydrophobicContact CG2-CG 4.46Å
407	S	92.9	Very high	94.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	177.2	168.9	56.2	0	0	0	0	109.1	V376 R378 E399 Q400	V376-S407 WeakPolarHBondContact CG2-OG 3.45Å; V376-S407 PolarHBondContact N-O 3.36Å; V376-S407 PolarHBondContact O-N 3.14Å; V376-S407 VanDerWaalsContact O-O 3.04Å; R378-S407 VanDerWaalsContact CG-OG 3.23Å; R378-S407 WeakPolarHBondContact CG-OG 3.4Å; E399-S407 WeakPolarHBondContact OE1-CB 3.33Å; E399-S407 PolarHBondContact OE1-OG 2.81Å; Q400-S407 VanDerWaalsContact O-CA 3.3Å; Q400-S407 WeakPolarHBondContact O-CA 3.45Å; Q400-S407 WeakPolarHBondContact O-CB 3.29Å
408	R	94.1	Very high	94.3	Very high	25 Å²	25	36.6 Å²	36.6	9%	0.094	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	146.8	164.8	54.9	177.7	-176.9	177.3	5.6	108.6	M201 L205 D310 Y313 W373 L374 Q400 L402	M201-R408 PolarHBondContact SD-NH2 2.84Å; M201-R408 VanDerWaalsContact SD-NH2 3.38Å; L205-R408 VanDerWaalsContact CD1-NH2 3.31Å; D310-R408 IonicContact OD1-NH1 2.83Å; D310-R408 IonicContact OD2-NH1 2.77Å; D310-R408 PolarHBondContact OD2-NH1 3.26Å; D310-R408 VanDerWaalsContact OD2-NH1 3.13Å; Y313-R408 VanDerWaalsContact OH-CD 3.32Å; Y313-R408 WeakPolarHBondContact OH-CD 3.38Å; W373-R408 HydrophobicContact CD2-CG 4.19Å; W373-R408 HydrophobicContact CE3-CB 3.9Å; W373-R408 HydrophobicContact CE3-CG 3.47Å; W373-R408 VanDerWaalsContact CE3-CG 3.47Å; W373-R408 HydrophobicContact CZ3-CB 4.46Å; W373-R408 HydrophobicContact CZ3-CG 3.71Å; L374-R408 CarbonylContact O-C 3.55Å; L374-R408 WeakPolarHBondContact O-CA 3.39Å; Q400-R408 HydrophobicContact CB-CG 4.09Å; Q400-R408 PolarHBondContact N-O 2.82Å; Q400-R408 PolarHBondContact O-N 2.97Å; L402-R408 HydrophobicContact CD1-CG 4.19Å; L402-R408 HydrophobicContact CD2-CG 4.44Å; L402-R408 HydrophobicContact CG-CG 4.35Å
409	R	96.4	Very high	94.1	Very high	29 Å²	29	38.4 Å²	38.4	11%	0.109	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	125.8	178.3	-63.2	-65.5	-176.8	176.1	-15	109	W373 L374 V376 Y381 N397 C398 E399 I411	W373-R409 CarbonylContact C-O 3.47Å; W373-R409 WeakPolarHBondContact CA-O 3.14Å; L374-R409 HydrophobicContact CB-CB 4.33Å; L374-R409 PolarHBondContact N-O 3.08Å; L374-R409 PolarHBondContact O-N 3.36Å; V376-R409 HydrophobicContact CG1-CG 3.89Å; V376-R409 HydrophobicContact CG2-CG 4.09Å; Y381-R409 VanDerWaalsContact CE1-NE 3.25Å; Y381-R409 VanDerWaalsContact CE1-NH2 3.3Å; Y381-R409 HydrophobicContact CE2-CG 3.87Å; Y381-R409 VanDerWaalsContact CZ-NE 3.3Å; N397-R409 WeakPolarHBondContact OD1-CB 3.44Å; N397-R409 WeakPolarHBondContact OD1-CD 3.09Å; C398-R409 CarbonylContact O-C 3.6Å; C398-R409 VanDerWaalsContact O-CA 3.26Å; C398-R409 WeakPolarHBondContact O-CA 3.22Å; E399-R409 IonicContact OE1-NH2 3.47Å; E399-R409 IonicContact OE2-CZ 2.85Å; E399-R409 IonicContact OE2-NH1 2.71Å; E399-R409 PolarHBondContact OE2-NH1 3.08Å; E399-R409 IonicContact OE2-NH2 2.63Å; E399-R409 PolarHBondContact OE2-NH2 2.69Å; R409-I411 HydrophobicContact CB-CD1 3.74Å; R409-I411 HydrophobicContact CB-CG1 4.3Å; R409-I411 PolarHBondContact O-N 2.77Å
410	L	98.2	Very high	93.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	109	168.1	-176.3	66.2	0	0	0	107.8	F23 I208 M209 V371 W373 N397 C398	F23-L410 HydrophobicContact CD1-CD2 3.88Å; F23-L410 HydrophobicContact CE1-CB 3.69Å; F23-L410 HydrophobicContact CE1-CD2 3.74Å; F23-L410 HydrophobicContact CE1-CG 4.36Å; I208-L410 HydrophobicContact CG2-CD2 4.16Å; M209-L410 HydrophobicContact CE-CD1 3.97Å; M209-L410 HydrophobicContact CG-CD1 3.7Å; M209-L410 HydrophobicContact CG-CD2 4.12Å; M209-L410 HydrophobicContact SD-CD1 4.16Å; V371-L410 HydrophobicContact CG1-CD1 3.68Å; V371-L410 HydrophobicContact CG1-CG 4.24Å; W373-L410 HydrophobicContact CD2-CB 4.3Å; W373-L410 HydrophobicContact CD2-CD1 3.95Å; W373-L410 HydrophobicContact CE3-CB 3.81Å; W373-L410 HydrophobicContact CE3-CD1 4.32Å; W373-L410 HydrophobicContact CG-CD1 4.38Å; W373-L410 HydrophobicContact CH2-CB 3.75Å; W373-L410 HydrophobicContact CH2-CD1 4.45Å; W373-L410 HydrophobicContact CH2-CG 4.5Å; W373-L410 HydrophobicContact CZ2-CB 4.2Å; W373-L410 HydrophobicContact CZ2-CD1 4.05Å; W373-L410 HydrophobicContact CZ3-CB 3.53Å; N397-L410 WeakPolarHBondContact CA-O 3.34Å; C398-L410 HydrophobicContact CB-CB 4.27Å; C398-L410 PolarHBondContact N-O 3.06Å; C398-L410 PolarHBondContact O-N 2.9Å
411	I	98.3	Very high	93.2	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	130	-179.4	-54.3	-56.7	0	0	0	108.4	V371 Y372 L374 V386 L394 N397 R409 M413	V371-I411 WeakPolarHBondContact CA-O 3.1Å; Y372-I411 HydrophobicContact CD1-CB 4Å; Y372-I411 HydrophobicContact CD1-CG2 4.3Å; Y372-I411 HydrophobicContact CE1-CB 3.53Å; Y372-I411 HydrophobicContact CE1-CG1 4.39Å; Y372-I411 HydrophobicContact CE1-CG2 3.45Å; Y372-I411 VanDerWaalsContact CE1-CG2 3.45Å; Y372-I411 HydrophobicContact CE2-CB 4.09Å; Y372-I411 HydrophobicContact CE2-CG1 4.11Å; Y372-I411 HydrophobicContact CG-CB 4.49Å; Y372-I411 PolarHBondContact N-O 3.11Å; Y372-I411 PolarHBondContact O-N 3.14Å; Y372-I411 WeakPolarHBondContact OH-CG2 3.41Å; L374-I411 HydrophobicContact CB-CG1 4.01Å; L374-I411 HydrophobicContact CD2-CG1 4.38Å; V386-I411 HydrophobicContact CG1-CD1 3.93Å; V386-I411 HydrophobicContact CG1-CG1 4.25Å; V386-I411 HydrophobicContact CG1-CG2 4.04Å; V386-I411 HydrophobicContact CG2-CD1 3.89Å; L394-I411 HydrophobicContact CD1-CG2 3.63Å; N397-I411 HydrophobicContact CB-CD1 4.08Å; N397-I411 VanDerWaalsContact OD1-CD1 3.24Å; N397-I411 WeakPolarHBondContact OD1-CD1 3.43Å; R409-I411 HydrophobicContact CB-CD1 3.74Å; R409-I411 HydrophobicContact CB-CG1 4.3Å; R409-I411 PolarHBondContact O-N 2.77Å; I411-M413 HydrophobicContact CG2-CE 3.67Å; I411-M413 HydrophobicContact CG2-CG 4.08Å; I411-M413 HydrophobicContact CG2-SD 4.49Å
412	T	98.6	Very high	92.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	124.9	171.7	-57.7	0	0	0	0	108.7	H212 L370 V371 I395 S396	H212-T412 PolarHBondContact ND1-OG1 2.75Å; L370-T412 CarbonylContact O-C 3.5Å; L370-T412 WeakPolarHBondContact O-CA 3.37Å; V371-T412 HydrophobicContact CG2-CG2 3.98Å; I395-T412 HydrophobicContact CB-CG2 4.07Å; I395-T412 WeakPolarHBondContact CB-O 3.48Å; I395-T412 HydrophobicContact CG2-CG2 4.39Å; I395-T412 PolarHBondContact N-O 3.21Å; S396-T412 PolarHBondContact N-O 3.29Å; S396-T412 PolarHBondContact O-N 3.34Å; S396-T412 VanDerWaalsContact OG-CB 3.3Å; S396-T412 WeakPolarHBondContact OG-CB 3.46Å; S396-T412 PolarHBondContact OG-OG1 2.91Å
413	M	98.5	Very high	92.2	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	148.5	176.2	-66.7	174.4	179	0	0	110.5	L357 R369 L370 Y372 V386 P387 L388 L392 L393 L394 I411	L357-M413 HydrophobicContact CD2-CE 4.26Å; L357-M413 HydrophobicContact CD2-SD 4.23Å; L357-M413 HydrophobicContact CG-SD 4.26Å; R369-M413 CarbonylContact C-O 3.48Å; R369-M413 WeakPolarHBondContact CA-O 3.3Å; R369-M413 WeakPolarHBondContact CB-O 3.17Å; L370-M413 HydrophobicContact CB-CB 4.44Å; L370-M413 PolarHBondContact N-O 3.43Å; L370-M413 PolarHBondContact O-N 3.23Å; Y372-M413 HydrophobicContact CE1-CE 4.17Å; Y372-M413 HydrophobicContact CE1-SD 4.15Å; Y372-M413 WeakPolarHBondContact OH-CE 3.49Å; V386-M413 HydrophobicContact CG1-CE 4.04Å; P387-M413 WeakPolarHBondContact O-CE 3.16Å; L388-M413 HydrophobicContact CD2-CE 4.38Å; L392-M413 HydrophobicContact CB-CB 4.18Å; L392-M413 HydrophobicContact CB-SD 4.17Å; L392-M413 HydrophobicContact CD1-SD 4.09Å; L393-M413 CarbonylContact O-C 3.19Å; L393-M413 WeakPolarHBondContact O-CA 3.41Å; L394-M413 HydrophobicContact CD1-CE 4.4Å; L394-M413 HydrophobicContact CD1-CG 4.37Å; I411-M413 HydrophobicContact CG2-CE 3.67Å; I411-M413 HydrophobicContact CG2-CG 4.08Å; I411-M413 HydrophobicContact CG2-SD 4.49Å
414	E	98.2	Very high	91.4	Very high	42 Å²	42	51.5 Å²	51.5	20%	0.196	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	134.6	177.6	-168.2	164.9	103.3	0	0	110.4	K214 G368 R369 L392 L393 I395 I416	K214-E414 IonicContact NZ-OE2 2.77Å; K214-E414 PolarHBondContact NZ-OE2 3.41Å; G368-E414 WeakPolarHBondContact O-CA 3.08Å; R369-E414 HydrophobicContact CG-CB 4.15Å; R369-E414 HydrophobicContact CG-CG 4.12Å; R369-E414 IonicContact CZ-OE2 3.09Å; R369-E414 IonicContact NE-OE2 3.87Å; R369-E414 PolarHBondContact NE-OE2 3.06Å; R369-E414 IonicContact NH2-OE2 2.72Å; R369-E414 PolarHBondContact NH2-OE2 3.14Å; L392-E414 WeakPolarHBondContact CA-O 3.41Å; L393-E414 PolarHBondContact N-O 2.87Å; L393-E414 PolarHBondContact O-N 3.49Å; I395-E414 HydrophobicContact CD1-CB 3.82Å; I395-E414 HydrophobicContact CG1-CB 3.69Å; E414-I416 PolarHBondContact O-N 3.46Å
415	K	98.1	Very high	91	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.009	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	119.3	177	-175.9	177.5	167.9	173.3	0	110.1	A361 L364 L366 G367 G368 C391 L392 K417 E418	A361-K415 VanDerWaalsContact O-CE 3.24Å; A361-K415 WeakPolarHBondContact O-CE 3.08Å; A361-K415 PolarHBondContact O-NZ 3.31Å; L364-K415 HydrophobicContact CB-CB 4.23Å; L364-K415 HydrophobicContact CB-CD 3.91Å; L364-K415 WeakPolarHBondContact O-CD 3.29Å; L364-K415 WeakPolarHBondContact O-CE 3.48Å; L364-K415 PolarHBondContact O-NZ 3.35Å; L366-K415 HydrophobicContact CD2-CG 4.28Å; G367-K415 PolarHBondContact N-O 2.71Å; G368-K415 PolarHBondContact O-N 3.21Å; C391-K415 WeakPolarHBondContact O-CA 3.41Å; L392-K415 HydrophobicContact CD2-CB 3.97Å; L392-K415 HydrophobicContact CD2-CG 4.44Å; K415-K417 VanDerWaalsContact CE-O 3.23Å; K415-K417 WeakPolarHBondContact CE-O 3.23Å; K415-E418 WeakPolarHBondContact CE-OE1 3.38Å; K415-E418 WeakPolarHBondContact CE-OE2 3.32Å; K415-E418 VanDerWaalsContact NZ-CD 3.3Å; K415-E418 IonicContact NZ-OE1 2.96Å; K415-E418 PolarHBondContact NZ-OE1 3.14Å; K415-E418 IonicContact NZ-OE2 2.66Å; K415-E418 PolarHBondContact NZ-OE2 3.34Å
416	I	97.6	Very high	90.5	Very high	95 Å²	95	49.1 Å²	49.1	49%	0.487	25%	0.251	S	S	.	.			trans	-107.2	-18.5	-175.2	57	162.9	0	0	0	113.9	C391 L393 E414	C391-I416 WeakPolarHBondContact O-CG1 3.32Å; C391-I416 PolarHBondContact O-N 2.92Å; L393-I416 HydrophobicContact CB-CD1 4.35Å; L393-I416 HydrophobicContact CB-CG2 3.62Å; L393-I416 HydrophobicContact CD2-CG2 4.21Å; E414-I416 PolarHBondContact O-N 3.46Å
417	K	96.1	Very high	89.7	Confident	68 Å²	68	52.1 Å²	52.1	30%	0.296	26%	0.264	S	S	.	.	S	Bend	trans	-152.9	163.6	176.1	65.2	167.4	-169.9	158.3	0	111.7	C391 K415 D423	C391-K417 HydrophobicContact CB-CG 4.25Å; K415-K417 VanDerWaalsContact CE-O 3.23Å; K415-K417 WeakPolarHBondContact CE-O 3.23Å; K417-D423 WeakPolarHBondContact CE-OD1 3.37Å; K417-D423 IonicContact NZ-OD1 3.13Å; K417-D423 PolarHBondContact NZ-OD1 3.01Å; K417-D423 IonicContact NZ-OD2 3.99Å; K417-D423 PolarHBondContact NZ-OD2 2.78Å
418	E	94.8	Very high	88.7	Confident	86 Å²	86	58.1 Å²	58.1	40%	0.402	30%	0.296	S	S	.	.			trans	-74.5	149.6	170.3	-67.4	-56.5	146.3	0	0	111	L366 K415	L366-E418 HydrophobicContact CD2-CG 4.47Å; L366-E418 WeakPolarHBondContact CG-OE1 3.32Å; K415-E418 WeakPolarHBondContact CE-OE1 3.38Å; K415-E418 WeakPolarHBondContact CE-OE2 3.32Å; K415-E418 VanDerWaalsContact NZ-CD 3.3Å; K415-E418 IonicContact NZ-OE1 2.96Å; K415-E418 PolarHBondContact NZ-OE1 3.14Å; K415-E418 IonicContact NZ-OE2 2.66Å; K415-E418 PolarHBondContact NZ-OE2 3.34Å
419	P	91.4	Very high	87.7	Confident	39 Å²	39	62.4 Å²	62.4	25%	0.253	33%	0.329	S	S	.	.			trans	-71.7	133.7	178.4	28.6	-32.3	0	0	0	111.8	C391	C391-P419 VanDerWaalsContact SG-CA 3.51Å
420	E	90.3	Very high	86.7	Confident	121 Å²	121	62.6 Å²	62.6	57%	0.565	33%	0.333	S	S	*	.			trans	-113.1	157.8	176.1	-64.4	173.9	171.2	0	0	110.6	L422 D423	E420-L422 PolarHBondContact O-N 3.2Å; E420-D423 PolarHBondContact N-OD2 3.13Å; E420-D423 WeakPolarHBondContact O-CB 3.28Å; E420-D423 PolarHBondContact O-N 3.34Å
421	E	81.1	Confident	85.6	Confident	186 Å²	186	67 Å²	67	87%	0.869	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-56.5	-37	-179.5	-67.1	-172.6	165.8	0	0	112.5	D423 S424	E421-D423 PolarHBondContact O-N 2.77Å; E421-S424 PolarHBondContact O-N 2.91Å; E421-S424 PolarHBondContact O-OG 3.43Å
422	L	80.6	Confident	84.5	Confident	123 Å²	123	75.2 Å²	75.2	64%	0.644	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-67.9	-20.4	179.2	-68.1	168.8	0	0	0	113.4	E420 S424 L425 A426	E420-L422 PolarHBondContact O-N 3.2Å; L422-S424 PolarHBondContact O-N 3.34Å; L422-L425 WeakPolarHBondContact O-CA 3.08Å; L422-L425 WeakPolarHBondContact O-CB 3.34Å; L422-L425 PolarHBondContact O-N 3.04Å; L422-A426 PolarHBondContact O-N 3.23Å
423	D	81.9	Confident	83.2	Confident	20 Å²	20	77.8 Å²	77.8	11%	0.107	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-64.9	-27.8	-180	-72.5	-37.5	0	0	0	111.9	P390 C391 K417 E420 E421 L425 A426	P390-D423 HydrophobicContact CB-CB 4.24Å; P390-D423 WeakPolarHBondContact CB-OD1 3.49Å; P390-D423 HydrophobicContact CG-CB 4.22Å; C391-D423 PolarHBondContact SG-OD2 2.79Å; K417-D423 WeakPolarHBondContact CE-OD1 3.37Å; K417-D423 IonicContact NZ-OD1 3.13Å; K417-D423 PolarHBondContact NZ-OD1 3.01Å; K417-D423 IonicContact NZ-OD2 3.99Å; K417-D423 PolarHBondContact NZ-OD2 2.78Å; E420-D423 PolarHBondContact N-OD2 3.13Å; E420-D423 WeakPolarHBondContact O-CB 3.28Å; E420-D423 PolarHBondContact O-N 3.34Å; E421-D423 PolarHBondContact O-N 2.77Å; D423-L425 PolarHBondContact O-N 3.3Å; D423-A426 VanDerWaalsContact O-CB 3.24Å; D423-A426 WeakPolarHBondContact O-CB 3.18Å; D423-A426 PolarHBondContact O-N 3.37Å; D423-A426 VanDerWaalsContact O-N 3.13Å
424	S	73.1	Confident	81.7	Confident	88 Å²	88	82 Å²	82	62%	0.615	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-61.9	-23.1	172.3	66.5	0	0	0	0	113.1	E421 L422 H427	E421-S424 PolarHBondContact O-N 2.91Å; E421-S424 PolarHBondContact O-OG 3.43Å; L422-S424 PolarHBondContact O-N 3.34Å; S424-H427 PolarHBondContact O-CE1 3.45Å; S424-H427 PolarHBondContact O-ND1 3.36Å
425	L	75.9	Confident	80	Confident	87 Å²	87	83.6 Å²	83.6	46%	0.455	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-102.1	5.1	179.5	-59.4	178	0	0	0	113	L422 D423 H427 L428	L422-L425 WeakPolarHBondContact O-CA 3.08Å; L422-L425 WeakPolarHBondContact O-CB 3.34Å; L422-L425 PolarHBondContact O-N 3.04Å; D423-L425 PolarHBondContact O-N 3.3Å; L425-H427 PolarHBondContact O-N 2.96Å; L425-H427 VanDerWaalsContact O-N 3.11Å; L425-L428 HydrophobicContact CB-CD1 4.17Å; L425-L428 HydrophobicContact CD2-CD1 4.18Å; L425-L428 VanDerWaalsContact O-CB 3.3Å; L425-L428 WeakPolarHBondContact O-CB 3.26Å; L425-L428 PolarHBondContact O-N 2.85Å
426	A	75.2	Confident	78.4	Confident	16 Å²	16	84.6 Å²	84.6	13%	0.132	44%	0.443	C	S	.	.	G	3₁₀ helix	trans	-58.7	-29.3	-175.5	0	0	0	0	0	113.6	P390 L422 D423 L428 S429 D430 F433	P390-A426 HydrophobicContact CB-CB 4.29Å; P390-A426 HydrophobicContact CG-CB 3.31Å; L422-A426 PolarHBondContact O-N 3.23Å; D423-A426 VanDerWaalsContact O-CB 3.24Å; D423-A426 WeakPolarHBondContact O-CB 3.18Å; D423-A426 PolarHBondContact O-N 3.37Å; D423-A426 VanDerWaalsContact O-N 3.13Å; A426-L428 PolarHBondContact O-N 3.41Å; A426-S429 PolarHBondContact O-N 2.64Å; A426-D430 PolarHBondContact O-N 3.17Å; A426-F433 HydrophobicContact CB-CB 4.38Å; A426-F433 HydrophobicContact CB-CD2 4.03Å; A426-F433 HydrophobicContact CB-CG 4.35Å
427	H	72.6	Confident	76.7	Confident	67 Å²	67	87.7 Å²	87.7	31%	0.31	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-60.1	-23.5	174.8	67.7	-87	0	0	0	113.8	S424 L425 S429 D430 F433 I434	S424-H427 PolarHBondContact O-CE1 3.45Å; S424-H427 PolarHBondContact O-ND1 3.36Å; L425-H427 PolarHBondContact O-N 2.96Å; L425-H427 VanDerWaalsContact O-N 3.11Å; H427-S429 VanDerWaalsContact C-N 3.31Å; H427-D430 WeakPolarHBondContact CA-O 3.23Å; H427-F433 HydrophobicContact CB-CB 4.38Å; H427-F433 WeakPolarHBondContact CB-O 3.38Å; H427-I434 HydrophobicContact CB-CG1 4.29Å
428	L	71.4	Confident	74.9	Confident	126 Å²	126	85.3 Å²	85.3	66%	0.66	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-72.8	-26.3	175	-60.7	178.8	0	0	0	112.3	L425 A426	L425-L428 HydrophobicContact CB-CD1 4.17Å; L425-L428 HydrophobicContact CD2-CD1 4.18Å; L425-L428 VanDerWaalsContact O-CB 3.3Å; L425-L428 WeakPolarHBondContact O-CB 3.26Å; L425-L428 PolarHBondContact O-N 2.85Å; A426-L428 PolarHBondContact O-N 3.41Å
429	S	73.4	Confident	73.4	Confident	114 Å²	114	82.1 Å²	82.1	80%	0.797	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-33.4	-178.9	-58.9	0	0	0	0	112.3	A426 H427	A426-S429 PolarHBondContact O-N 2.64Å; H427-S429 VanDerWaalsContact C-N 3.31Å
430	D	75.3	Confident	72.2	Confident	34 Å²	34	83.8 Å²	83.8	18%	0.182	44%	0.442	C	S	.	.			trans	-137.5	111.8	177.6	-176.6	-15	0	0	0	110.1	A426 H427 R432 F433	A426-D430 PolarHBondContact O-N 3.17Å; H427-D430 WeakPolarHBondContact CA-O 3.23Å; D430-R432 PolarHBondContact O-N 2.82Å; D430-R432 VanDerWaalsContact OD1-CB 3.25Å; D430-R432 WeakPolarHBondContact OD1-CB 3.15Å; D430-R432 VanDerWaalsContact OD1-CG 3.25Å; D430-R432 WeakPolarHBondContact OD1-CG 3.02Å; D430-R432 PolarHBondContact OD1-N 3.39Å; D430-R432 IonicContact OD1-NE 2.93Å; D430-R432 PolarHBondContact OD1-NE 3.25Å; D430-R432 VanDerWaalsContact OD1-NE 3.09Å; D430-R432 IonicContact OD2-CZ 3.71Å; D430-R432 IonicContact OD2-NE 2.87Å; D430-R432 PolarHBondContact OD2-NE 3.21Å; D430-R432 IonicContact OD2-NH2 3.75Å; D430-R432 PolarHBondContact OD2-NH2 3.33Å; D430-F433 HydrophobicContact CB-CD2 3.75Å; D430-F433 HydrophobicContact CB-CE2 3.88Å; D430-F433 PolarHBondContact O-N 3.31Å; D430-F433 VanDerWaalsContact O-N 3.08Å
431	P	75.7	Confident	71.2	Confident	93 Å²	93	79.8 Å²	79.8	60%	0.604	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-57.3	-17.7	-179.8	-26.2	34.9	0	0	0	114.6	F433 I434	P431-F433 PolarHBondContact O-N 3.21Å; P431-I434 HydrophobicContact CB-CD1 3.92Å; P431-I434 WeakPolarHBondContact O-CB 3.26Å; P431-I434 VanDerWaalsContact O-CD1 3.23Å; P431-I434 WeakPolarHBondContact O-CD1 3.08Å; P431-I434 WeakPolarHBondContact O-CG1 3.46Å; P431-I434 PolarHBondContact O-N 3.3Å; P431-I434 VanDerWaalsContact O-N 3.14Å
432	R	74.8	Confident	71	Confident	172 Å²	172	71.1 Å²	71.1	65%	0.649	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-67.4	-17.8	177.4	-61.6	179.5	-63.5	167.9	2.3	113.2	L388 D430	L388-R432 HydrophobicContact CD1-CB 4.08Å; D430-R432 PolarHBondContact O-N 2.82Å; D430-R432 VanDerWaalsContact OD1-CB 3.25Å; D430-R432 WeakPolarHBondContact OD1-CB 3.15Å; D430-R432 VanDerWaalsContact OD1-CG 3.25Å; D430-R432 WeakPolarHBondContact OD1-CG 3.02Å; D430-R432 PolarHBondContact OD1-N 3.39Å; D430-R432 IonicContact OD1-NE 2.93Å; D430-R432 PolarHBondContact OD1-NE 3.25Å; D430-R432 VanDerWaalsContact OD1-NE 3.09Å; D430-R432 IonicContact OD2-CZ 3.71Å; D430-R432 IonicContact OD2-NE 2.87Å; D430-R432 PolarHBondContact OD2-NE 3.21Å; D430-R432 IonicContact OD2-NH2 3.75Å; D430-R432 PolarHBondContact OD2-NH2 3.33Å
433	F	70.6	Confident	70.8	Confident	54 Å²	54	71.4 Å²	71.4	24%	0.237	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-94.1	10.6	174.5	-57.9	-63.8	0	0	0	113.5	L388 P390 A426 H427 D430 P431	L388-F433 HydrophobicContact CB-CD1 3.84Å; L388-F433 HydrophobicContact CB-CE1 3.9Å; P390-F433 HydrophobicContact CG-CD1 4.12Å; P390-F433 HydrophobicContact CG-CD2 4.44Å; P390-F433 HydrophobicContact CG-CE1 4.26Å; P390-F433 HydrophobicContact CG-CG 4.22Å; A426-F433 HydrophobicContact CB-CB 4.38Å; A426-F433 HydrophobicContact CB-CD2 4.03Å; A426-F433 HydrophobicContact CB-CG 4.35Å; H427-F433 HydrophobicContact CB-CB 4.38Å; H427-F433 WeakPolarHBondContact CB-O 3.38Å; D430-F433 HydrophobicContact CB-CD2 3.75Å; D430-F433 HydrophobicContact CB-CE2 3.88Å; D430-F433 PolarHBondContact O-N 3.31Å; D430-F433 VanDerWaalsContact O-N 3.08Å; P431-F433 PolarHBondContact O-N 3.21Å
434	I	67.6	Low	70.6	Confident	89 Å²	89	77.2 Å²	77.2	46%	0.456	41%	0.408	S	S	.	.	S	Bend	trans	-55.8	137.8	172.3	-71.8	167.7	0	0	0	108.9	H427 P431 Y436	H427-I434 HydrophobicContact CB-CG1 4.29Å; P431-I434 HydrophobicContact CB-CD1 3.92Å; P431-I434 WeakPolarHBondContact O-CB 3.26Å; P431-I434 VanDerWaalsContact O-CD1 3.23Å; P431-I434 WeakPolarHBondContact O-CD1 3.08Å; P431-I434 WeakPolarHBondContact O-CG1 3.46Å; P431-I434 PolarHBondContact O-N 3.3Å; P431-I434 VanDerWaalsContact O-N 3.14Å; I434-Y436 PolarHBondContact O-N 3.29Å
435	P	62	Low	71	Confident	76 Å²	76	75.8 Å²	75.8	49%	0.494	39%	0.391	S	S	.	.			trans	-48.3	134	177.3	-29.6	35.1	0	0	0	111.2	Q437	P435-Q437 WeakPolarHBondContact O-CG 3.45Å; P435-Q437 PolarHBondContact O-N 3.02Å
436	Y	66	Low	71	Confident	22 Å²	22	74.1 Å²	74.1	9%	0.086	38%	0.379	C	S	.	.			trans	-62.6	103.9	-172.9	177.6	-117.9	0	0	0	110.8	S350 F353 M385 P387 I434 G438 H439	S350-Y436 WeakPolarHBondContact CA-O 3.46Å; S350-Y436 WeakPolarHBondContact CB-O 3.24Å; F353-Y436 HydrophobicContact CB-CD1 4.11Å; F353-Y436 HydrophobicContact CD2-CD1 4.11Å; F353-Y436 AromaticContact CD2-CE1 3.73Å; F353-Y436 HydrophobicContact CD2-CE1 3.73Å; F353-Y436 HydrophobicContact CE2-CE1 4.49Å; M385-Y436 WeakPolarHBondContact O-CE2 3.23Å; P387-Y436 HydrophobicContact CB-CD2 3.96Å; P387-Y436 HydrophobicContact CB-CG 3.87Å; P387-Y436 HydrophobicContact CG-CD2 4.48Å; P387-Y436 HydrophobicContact CG-CG 4.46Å; I434-Y436 PolarHBondContact O-N 3.29Å; Y436-G438 WeakPolarHBondContact CE1-O 3.45Å; Y436-G438 PolarHBondContact OH-O 2.86Å; Y436-H439 WeakPolarHBondContact OH-CB 3.35Å; Y436-H439 PolarHBondContact OH-CD2 2.92Å
437	Q	61.9	Low	71.1	Confident	161 Å²	161	77 Å²	77	75%	0.752	39%	0.389	S	S	*	.			trans	-92	-1.7	177.6	-61.6	-171	-2.5	0	0	112.8	P435	P435-Q437 WeakPolarHBondContact O-CG 3.45Å; P435-Q437 PolarHBondContact O-N 3.02Å
438	G	57.3	Low	71.2	Confident	18 Å²	18	76.5 Å²	76.5	19%	0.186	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	150.8	-176	0	0	0	0	0	113.6	Y436 N440	Y436-G438 WeakPolarHBondContact CE1-O 3.45Å; Y436-G438 PolarHBondContact OH-O 2.86Å; G438-N440 PolarHBondContact O-N 3.06Å
439	H	62.4	Low	70.7	Confident	18 Å²	18	71.1 Å²	71.1	8%	0.083	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	9.4	162.1	-63.5	-21.2	0	0	0	119.8	L349 P375 M385 Y436 A441 F442	L349-H439 HydrophobicContact CD1-CB 4.43Å; L349-H439 WeakPolarHBondContact CD1-O 3.47Å; P375-H439 PolarHBondContact O-CD2 2.97Å; P375-H439 PolarHBondContact O-NE2 2.55Å; M385-H439 WeakPolarHBondContact CE-CE1 3.49Å; Y436-H439 WeakPolarHBondContact OH-CB 3.35Å; Y436-H439 PolarHBondContact OH-CD2 2.92Å; H439-A441 PolarHBondContact O-N 3.12Å; H439-A441 VanDerWaalsContact O-N 3.12Å; H439-F442 HydrophobicContact CB-CB 4.05Å; H439-F442 WeakPolarHBondContact O-CB 3.13Å; H439-F442 PolarHBondContact O-N 3.26Å
440	N	66.1	Low	70.2	Confident	75 Å²	75	69 Å²	69	40%	0.401	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.1	169.9	-73.8	-22.3	0	0	0	113.6	H348 L349 S350 G438	H348-N440 WeakPolarHBondContact CB-OD1 3.36Å; L349-N440 PolarHBondContact N-OD1 3.18Å; S350-N440 PolarHBondContact N-OD1 2.97Å; S350-N440 PolarHBondContact OG-ND2 2.72Å; S350-N440 PolarHBondContact OG-OD1 3.29Å; G438-N440 PolarHBondContact O-N 3.06Å
441	A	69.4	Low	69.4	Low	37 Å²	37	72.6 Å²	72.6	31%	0.306	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	5.3	172.2	0	0	0	0	0	114.2	H439 R443 E444 K445	H439-A441 PolarHBondContact O-N 3.12Å; H439-A441 VanDerWaalsContact O-N 3.12Å; A441-R443 VanDerWaalsContact C-N 3.33Å; A441-R443 PolarHBondContact O-N 3.5Å; A441-E444 PolarHBondContact O-N 3.31Å; A441-E444 VanDerWaalsContact O-N 3.15Å; A441-K445 WeakPolarHBondContact O-CG 2.93Å; A441-K445 PolarHBondContact O-N 2.76Å
442	F	78.5	Confident	68.5	Low	4 Å²	4	75.4 Å²	75.4	2%	0.018	37%	0.369	C	S	.	.	H	α-helix	trans	-58.3	-43.5	-175.1	175.1	-101.8	0	0	0	112.3	Y313 I315 L349 P375 H439 E444 K445 Y446	Y313-F442 HydrophobicContact CD2-CE1 4.5Å; I315-F442 HydrophobicContact CD1-CD1 4.29Å; I315-F442 HydrophobicContact CD1-CE1 3.46Å; I315-F442 VanDerWaalsContact CD1-CE1 3.46Å; I315-F442 HydrophobicContact CD1-CZ 4.15Å; I315-F442 HydrophobicContact CG1-CE1 4.3Å; L349-F442 HydrophobicContact CD1-CB 3.95Å; L349-F442 HydrophobicContact CD1-CD1 4.3Å; L349-F442 HydrophobicContact CD1-CG 4.47Å; P375-F442 HydrophobicContact CB-CD1 3.94Å; P375-F442 HydrophobicContact CB-CD2 4.32Å; P375-F442 HydrophobicContact CB-CE1 3.5Å; P375-F442 HydrophobicContact CB-CE2 3.95Å; P375-F442 HydrophobicContact CB-CG 4.33Å; P375-F442 HydrophobicContact CB-CZ 3.53Å; P375-F442 HydrophobicContact CG-CD1 4.31Å; P375-F442 HydrophobicContact CG-CE1 4.3Å; H439-F442 HydrophobicContact CB-CB 4.05Å; H439-F442 WeakPolarHBondContact O-CB 3.13Å; H439-F442 PolarHBondContact O-N 3.26Å; F442-E444 VanDerWaalsContact C-N 3.33Å; F442-E444 PolarHBondContact O-N 3.42Å; F442-K445 PolarHBondContact O-N 2.7Å; F442-Y446 HydrophobicContact CZ-CD2 4.29Å; F442-Y446 WeakPolarHBondContact O-CB 3.44Å; F442-Y446 PolarHBondContact O-N 3.18Å
443	R	76.3	Confident	67.3	Low	128 Å²	128	74.8 Å²	74.8	48%	0.483	37%	0.367	S	S	.	.	H	α-helix	trans	-55.9	-47.4	176.3	-178	-174	169.1	90.5	-0.2	111.2	G314 A441 Y446 F447	G314-R443 WeakPolarHBondContact O-CD 3.39Å; G314-R443 VanDerWaalsContact O-CG 3.26Å; G314-R443 WeakPolarHBondContact O-CG 3.39Å; G314-R443 PolarHBondContact O-NH1 3.02Å; A441-R443 VanDerWaalsContact C-N 3.33Å; A441-R443 PolarHBondContact O-N 3.5Å; R443-Y446 WeakPolarHBondContact O-CB 3.31Å; R443-Y446 PolarHBondContact O-N 3.46Å; R443-F447 HydrophobicContact CG-CD2 4Å; R443-F447 HydrophobicContact CG-CE2 3.8Å; R443-F447 WeakPolarHBondContact O-CD2 3.48Å; R443-F447 PolarHBondContact O-N 3.38Å
444	E	78	Confident	66.1	Low	142 Å²	142	75.3 Å²	75.3	66%	0.664	38%	0.377	S	S	*	.	H	α-helix	trans	-64.4	-43	179.7	-63.1	175.2	178.7	0	0	111.6	A441 F442 Y446 F447 S448	A441-E444 PolarHBondContact O-N 3.31Å; A441-E444 VanDerWaalsContact O-N 3.15Å; F442-E444 VanDerWaalsContact C-N 3.33Å; F442-E444 PolarHBondContact O-N 3.42Å; E444-Y446 PolarHBondContact O-N 3.11Å; E444-F447 PolarHBondContact O-N 2.94Å; E444-S448 WeakPolarHBondContact O-CB 3.41Å; E444-S448 PolarHBondContact O-N 3.41Å; E444-S448 PolarHBondContact O-OG 3.15Å
445	K	79.9	Confident	65.2	Low	59 Å²	59	73.8 Å²	73.8	26%	0.257	38%	0.378	S	S	.	.	H	α-helix	trans	-65.4	-37.2	176.9	-66.8	-176.1	-168.8	-158.6	0	112.6	H377 E380 A441 F442 S448 G449	H377-K445 HydrophobicContact CB-CD 4.39Å; E380-K445 IonicContact OE1-NZ 2.77Å; E380-K445 PolarHBondContact OE1-NZ 3.21Å; E380-K445 IonicContact OE2-NZ 2.76Å; E380-K445 PolarHBondContact OE2-NZ 3.08Å; A441-K445 WeakPolarHBondContact O-CG 2.93Å; A441-K445 PolarHBondContact O-N 2.76Å; F442-K445 PolarHBondContact O-N 2.7Å; K445-S448 WeakPolarHBondContact CA-OG 3.16Å; K445-S448 PolarHBondContact O-OG 2.99Å; K445-S448 VanDerWaalsContact O-OG 3.09Å; K445-G449 PolarHBondContact O-N 3.35Å; K445-G449 VanDerWaalsContact O-N 3.11Å
446	Y	77.4	Confident	64.4	Low	51 Å²	51	77.6 Å²	77.6	20%	0.2	39%	0.387	C	S	.	.	H	α-helix	trans	-60.2	-49.2	175.6	-178.4	-87.2	0	0	0	111.3	I315 T406 F442 R443 E444 L450	I315-Y446 HydrophobicContact CD1-CD1 3.82Å; I315-Y446 HydrophobicContact CD1-CD2 3.36Å; I315-Y446 HydrophobicContact CD1-CE1 4.11Å; I315-Y446 HydrophobicContact CD1-CE2 3.7Å; I315-Y446 HydrophobicContact CD1-CG 3.45Å; I315-Y446 VanDerWaalsContact CD1-CG 3.45Å; I315-Y446 HydrophobicContact CG1-CD1 4.17Å; I315-Y446 HydrophobicContact CG1-CD2 4.5Å; I315-Y446 HydrophobicContact CG1-CG 4.15Å; I315-Y446 HydrophobicContact CG2-CD1 4.04Å; I315-Y446 HydrophobicContact CG2-CE1 3.72Å; T406-Y446 HydrophobicContact CG2-CD2 3.66Å; T406-Y446 HydrophobicContact CG2-CE2 4.26Å; T406-Y446 HydrophobicContact CG2-CG 4.46Å; F442-Y446 HydrophobicContact CZ-CD2 4.29Å; F442-Y446 WeakPolarHBondContact O-CB 3.44Å; F442-Y446 PolarHBondContact O-N 3.18Å; R443-Y446 WeakPolarHBondContact O-CB 3.31Å; R443-Y446 PolarHBondContact O-N 3.46Å; E444-Y446 PolarHBondContact O-N 3.11Å; Y446-L450 HydrophobicContact CD1-CD1 4.02Å; Y446-L450 HydrophobicContact CE1-CD1 3.54Å; Y446-L450 PolarHBondContact O-N 3.14Å
447	F	76.3	Confident	63.5	Low	77 Å²	77	80.7 Å²	80.7	34%	0.338	41%	0.405	S	S	.	.	H	α-helix	trans	-74.2	-33.4	-179.6	-71.7	-67.7	0	0	0	113.4	I315 R443 E444 G449 L450 N451	I315-F447 HydrophobicContact CG2-CZ 4.16Å; R443-F447 HydrophobicContact CG-CD2 4Å; R443-F447 HydrophobicContact CG-CE2 3.8Å; R443-F447 WeakPolarHBondContact O-CD2 3.48Å; R443-F447 PolarHBondContact O-N 3.38Å; E444-F447 PolarHBondContact O-N 2.94Å; F447-G449 VanDerWaalsContact C-N 3.33Å; F447-G449 PolarHBondContact O-N 3.38Å; F447-L450 HydrophobicContact CD1-CD1 4.18Å; F447-L450 PolarHBondContact O-N 3.25Å; F447-N451 PolarHBondContact O-N 3.44Å; F447-N451 VanDerWaalsContact O-N 3.14Å
448	S	74.2	Confident	62.7	Low	57 Å²	57	78.1 Å²	78.1	40%	0.399	40%	0.396	S	S	.	.	H	α-helix	trans	-66.5	-34.7	175.9	68.9	0	0	0	0	112.6	E444 K445 L450 N451 K452	E444-S448 WeakPolarHBondContact O-CB 3.41Å; E444-S448 PolarHBondContact O-N 3.41Å; E444-S448 PolarHBondContact O-OG 3.15Å; K445-S448 WeakPolarHBondContact CA-OG 3.16Å; K445-S448 PolarHBondContact O-OG 2.99Å; K445-S448 VanDerWaalsContact O-OG 3.09Å; S448-L450 VanDerWaalsContact C-N 3.34Å; S448-L450 PolarHBondContact O-N 3.14Å; S448-N451 PolarHBondContact O-N 3.09Å; S448-K452 PolarHBondContact O-N 2.89Å
449	G	62.4	Low	62	Low	13 Å²	13	81.4 Å²	81.4	13%	0.134	41%	0.413	C	S	.	.	H	α-helix	trans	-64.7	-34.1	173.1	0	0	0	0	0	113.7	K445 F447	K445-G449 PolarHBondContact O-N 3.35Å; K445-G449 VanDerWaalsContact O-N 3.11Å; F447-G449 VanDerWaalsContact C-N 3.33Å; F447-G449 PolarHBondContact O-N 3.38Å
450	L	61.9	Low	61.1	Low	68 Å²	68	88.4 Å²	88.4	36%	0.356	44%	0.443	S	S	.	.	H	α-helix	trans	-70.3	-44.2	175.3	-71.2	169.9	0	0	0	111.8	Y446 F447 S448 K452 R453 S454	Y446-L450 HydrophobicContact CD1-CD1 4.02Å; Y446-L450 HydrophobicContact CE1-CD1 3.54Å; Y446-L450 PolarHBondContact O-N 3.14Å; F447-L450 HydrophobicContact CD1-CD1 4.18Å; F447-L450 PolarHBondContact O-N 3.25Å; S448-L450 VanDerWaalsContact C-N 3.34Å; S448-L450 PolarHBondContact O-N 3.14Å; L450-K452 VanDerWaalsContact C-N 3.32Å; L450-K452 PolarHBondContact O-N 3.5Å; L450-R453 WeakPolarHBondContact O-CA 3.4Å; L450-R453 VanDerWaalsContact O-CB 3.31Å; L450-R453 WeakPolarHBondContact O-CB 3.46Å; L450-R453 PolarHBondContact O-N 3.37Å; L450-S454 PolarHBondContact O-N 2.98Å; L450-S454 VanDerWaalsContact O-N 3.14Å; L450-S454 PolarHBondContact O-OG 3.31Å
451	N	58.8	Low	59.9	Low	111 Å²	111	88.5 Å²	88.5	59%	0.594	45%	0.449	S	S	*	.	H	α-helix	trans	-64.8	-34.4	-179.2	-68.2	-13.5	0	0	0	112.7	F447 S448 R453 S454 A455	F447-N451 PolarHBondContact O-N 3.44Å; F447-N451 VanDerWaalsContact O-N 3.14Å; S448-N451 PolarHBondContact O-N 3.09Å; N451-R453 PolarHBondContact O-N 3.23Å; N451-S454 PolarHBondContact O-N 2.76Å; N451-A455 PolarHBondContact O-N 3.38Å; N451-A455 VanDerWaalsContact O-N 3.14Å
452	K	56.4	Low	58.6	Low	151 Å²	151	93.5 Å²	93.5	66%	0.657	47%	0.471	S	S	*	.	H	α-helix	trans	-64.7	-25.5	172.3	-75.4	-176.7	177.4	176.3	0	113.1	S448 L450 K456	S448-K452 PolarHBondContact O-N 2.89Å; L450-K452 VanDerWaalsContact C-N 3.32Å; L450-K452 PolarHBondContact O-N 3.5Å; K452-K456 PolarHBondContact O-N 2.68Å
453	R	49.9	Very low	57.1	Low	159 Å²	159	99.2 Å²	99.2	60%	0.6	51%	0.506	S	S	*	.	H	α-helix	trans	-78.4	-45.5	176.2	-172.4	179.8	176.4	174	1.3	111.2	L450 N451 A455 K456 D457	L450-R453 WeakPolarHBondContact O-CA 3.4Å; L450-R453 VanDerWaalsContact O-CB 3.31Å; L450-R453 WeakPolarHBondContact O-CB 3.46Å; L450-R453 PolarHBondContact O-N 3.37Å; N451-R453 PolarHBondContact O-N 3.23Å; R453-A455 VanDerWaalsContact C-N 3.29Å; R453-A455 PolarHBondContact O-N 3.03Å; R453-K456 PolarHBondContact O-N 3.37Å; R453-D457 PolarHBondContact O-N 3.14Å
454	S	46.4	Very low	55.5	Low	66 Å²	66	98.5 Å²	98.5	46%	0.462	52%	0.52	S	S	.	.	H	α-helix	trans	-54.7	-46.4	174.3	-51.1	0	0	0	0	111.3	L450 N451 K456 D457 D458	L450-S454 PolarHBondContact O-N 2.98Å; L450-S454 VanDerWaalsContact O-N 3.14Å; L450-S454 PolarHBondContact O-OG 3.31Å; N451-S454 PolarHBondContact O-N 2.76Å; S454-K456 VanDerWaalsContact C-N 3.3Å; S454-K456 PolarHBondContact O-N 2.95Å; S454-D457 PolarHBondContact O-N 3.44Å; S454-D458 WeakPolarHBondContact O-CB 3.49Å; S454-D458 VanDerWaalsContact O-CG 3.31Å; S454-D458 PolarHBondContact O-N 3.46Å
455	A	47	Very low	53.8	Low	57 Å²	57	94.6 Å²	94.6	47%	0.471	52%	0.519	S	S	.	.	H	α-helix	trans	-65	-28.7	177.1	0	0	0	0	0	114.2	N451 R453 T459	N451-A455 PolarHBondContact O-N 3.38Å; N451-A455 VanDerWaalsContact O-N 3.14Å; R453-A455 VanDerWaalsContact C-N 3.29Å; R453-A455 PolarHBondContact O-N 3.03Å; A455-T459 PolarHBondContact O-N 3.37Å; A455-T459 PolarHBondContact O-OG1 3.34Å
456	K	45.8	Very low	51.7	Low	156 Å²	156	105.4 Å²	105.4	68%	0.678	57%	0.566	S	S	*	*	H	α-helix	trans	-81.7	-30.1	176.5	-97.8	-174.2	175.6	-179.1	0	113.5	K452 R453 S454 T459 K460	K452-K456 PolarHBondContact O-N 2.68Å; R453-K456 PolarHBondContact O-N 3.37Å; S454-K456 VanDerWaalsContact C-N 3.3Å; S454-K456 PolarHBondContact O-N 2.95Å; K456-T459 WeakPolarHBondContact CA-OG1 3.36Å; K456-T459 PolarHBondContact O-OG1 3.29Å; K456-K460 PolarHBondContact O-N 3.42Å
457	D	46.3	Very low	50.4	Low	87 Å²	87	108.1 Å²	108.1	47%	0.465	58%	0.584	S	S	.	*	H	α-helix	trans	-77	-37.3	174.3	-78.7	-25.5	0	0	0	110.4	R453 S454 T459 K460 S461	R453-D457 PolarHBondContact O-N 3.14Å; S454-D457 PolarHBondContact O-N 3.44Å; D457-T459 VanDerWaalsContact C-N 3.33Å; D457-T459 PolarHBondContact O-N 2.9Å; D457-K460 PolarHBondContact O-N 3.48Å; D457-K460 VanDerWaalsContact O-N 3.13Å; D457-S461 PolarHBondContact O-N 3.13Å; D457-S461 PolarHBondContact O-OG 3.25Å
458	D	45.2	Very low	49.1	Very low	107 Å²	107	109.7 Å²	109.7	57%	0.572	60%	0.597	S	S	*	*	H	α-helix	trans	-64.3	-34.8	173.6	-70.9	-23.7	0	0	0	112.5	S454 K460 S461	S454-D458 WeakPolarHBondContact O-CB 3.49Å; S454-D458 VanDerWaalsContact O-CG 3.31Å; S454-D458 PolarHBondContact O-N 3.46Å; D458-K460 VanDerWaalsContact C-N 3.32Å; D458-K460 PolarHBondContact O-N 3.42Å; D458-S461 PolarHBondContact O-OG 3.33Å
459	T	43	Very low	47.7	Very low	87 Å²	87	112.7 Å²	112.7	53%	0.534	61%	0.608	S	S	.	*	H	α-helix	trans	-76.2	-16.3	174.9	28.6	0	0	0	0	113.9	A455 K456 D457 V463	A455-T459 PolarHBondContact O-N 3.37Å; A455-T459 PolarHBondContact O-OG1 3.34Å; K456-T459 WeakPolarHBondContact CA-OG1 3.36Å; K456-T459 PolarHBondContact O-OG1 3.29Å; D457-T459 VanDerWaalsContact C-N 3.33Å; D457-T459 PolarHBondContact O-N 2.9Å; T459-V463 WeakPolarHBondContact O-CG2 3.44Å
460	K	43.9	Very low	46.8	Very low	164 Å²	164	118.5 Å²	118.5	71%	0.713	64%	0.636	S	S	*	*	H	α-helix	trans	-85.8	-26.8	174	-85.1	-174	175	-175.8	0	113	K456 D457 D458 D462	K456-K460 PolarHBondContact O-N 3.42Å; D457-K460 PolarHBondContact O-N 3.48Å; D457-K460 VanDerWaalsContact O-N 3.13Å; D458-K460 VanDerWaalsContact C-N 3.32Å; D458-K460 PolarHBondContact O-N 3.42Å; K460-D462 VanDerWaalsContact C-N 3.31Å
461	S	40.4	Very low	45.9	Very low	77 Å²	77	121.7 Å²	121.7	54%	0.538	65%	0.653	S	S	.	*	H	α-helix	trans	-72.3	-21.4	174.5	38	0	0	0	0	114	D457 D458	D457-S461 PolarHBondContact O-N 3.13Å; D457-S461 PolarHBondContact O-OG 3.25Å; D458-S461 PolarHBondContact O-OG 3.33Å
462	D	43.6	Very low	45	Very low	142 Å²	142	122.4 Å²	122.4	76%	0.759	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-1.3	-177.7	-84.2	-15.3	0	0	0	114.8	K460	K460-D462 VanDerWaalsContact C-N 3.31Å
463	V	46.1	Very low	44.2	Very low	125 Å²	125	120.4 Å²	120.4	76%	0.758	66%	0.657	S	S	*	*	S	Bend	trans	-105.1	-3.8	-175.7	-171.9	0	0	0	0	113.2	T459	T459-V463 WeakPolarHBondContact O-CG2 3.44Å
464	S	42.5	Very low	43.8	Very low	112 Å²	112	117.4 Å²	117.4	78%	0.783	66%	0.662	S	S	*	*	S	Bend	trans	-105.2	42.8	175	65.8	0	0	0	0	113.1
465	G	42.9	Very low	43.6	Very low	61 Å²	61	121.7 Å²	121.7	63%	0.629	68%	0.678	S	S	*	*			trans	-148.3	68.6	180	0	0	0	0	0	111.8
466	K	35.9	Very low	43.2	Very low	285 Å²	285	127.5 Å²	127.5	100%	1.239	70%	0.697	S	S	*	*			trans	-166.2	0	150	-108.4	168.8	-171.9	-179.2	0	111.4

Retrieved 466 of 466 residues in 1232.8 ms (Link to these results)

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