A0A060VPT7_ONCMY Loading...

Phosphoacetylglucosamine mutase

Catalyzes the conversion of GlcNAc-6-P into GlcNAc-1-P during the synthesis of uridine diphosphate/UDP-GlcNAc, a sugar nucleotide critical to multiple glycosylation pathways including protein N- and O-glycosylation.

AlphaFold DB , UniProt , Accession A0A060VPT7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene pgm3, Length 544 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.2	Very low	85.3	Confident	228 Å²	228	80.8 Å²	80.8	100%	1.123	42%	0.417	S	S	*	.				0	-42.5	0	-70.2	-169.8	-135	0	0	112.1	Q3	M1-Q3 VanDerWaalsContact C-N 3.29Å; M1-Q3 PolarHBondContact O-N 2.97Å
2	A	64	Low	86.1	Confident	83 Å²	83	79.6 Å²	79.6	69%	0.686	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-57.7	-30	179.7	0	0	0	0	0	116	F4 E5	A2-F4 VanDerWaalsContact C-N 3.28Å; A2-F4 PolarHBondContact O-N 3.2Å; A2-E5 PolarHBondContact O-N 2.73Å
3	Q	74.1	Confident	86.9	Confident	110 Å²	110	81.3 Å²	81.3	51%	0.514	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-64.3	-22.5	-172.7	-172.9	171.9	31.4	0	0	115.6	M1	M1-Q3 VanDerWaalsContact C-N 3.29Å; M1-Q3 PolarHBondContact O-N 2.97Å
4	F	91.8	Very high	87.7	Confident	23 Å²	23	76.2 Å²	76.2	10%	0.101	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-122.9	13.4	-178.2	-60.9	-77.7	0	0	0	112.8	A2 V7 S8 L104 K108 I111 M118 L148	A2-F4 VanDerWaalsContact C-N 3.28Å; A2-F4 PolarHBondContact O-N 3.2Å; F4-V7 HydrophobicContact CD1-CG2 4.21Å; F4-V7 PolarHBondContact O-N 3.4Å; F4-S8 PolarHBondContact O-N 3.45Å; F4-S8 PolarHBondContact O-OG 3.11Å; F4-L104 HydrophobicContact CB-CD2 3.92Å; F4-K108 HydrophobicContact CE2-CG 4.4Å; F4-I111 HydrophobicContact CE1-CD1 4Å; F4-I111 HydrophobicContact CZ-CD1 3.62Å; F4-M118 HydrophobicContact CE1-CE 4.4Å; F4-M118 HydrophobicContact CZ-CE 4.41Å; F4-L148 HydrophobicContact CD1-CD1 3.92Å; F4-L148 HydrophobicContact CE1-CD1 3.66Å
5	E	91.8	Very high	88.3	Confident	109 Å²	109	76.7 Å²	76.7	51%	0.509	42%	0.423	S	S	.	.	H	α-helix	trans	-64	-45.3	-179.9	-174.4	172.4	177.8	0	0	110.6	A2 V7 S8 Q9	A2-E5 PolarHBondContact O-N 2.73Å; E5-V7 PolarHBondContact O-N 3.06Å; E5-S8 WeakPolarHBondContact O-CB 3.46Å; E5-S8 PolarHBondContact O-N 2.88Å; E5-S8 VanDerWaalsContact O-N 3.16Å; E5-Q9 WeakPolarHBondContact O-CG 3.14Å; E5-Q9 PolarHBondContact O-N 2.67Å; E5-Q9 PolarHBondContact OE1-NE2 2.96Å
6	E	94.1	Very high	88.8	Confident	97 Å²	97	73.6 Å²	73.6	45%	0.453	40%	0.404	S	S	.	.	H	α-helix	trans	-64.1	-41	177.3	-169.6	171.8	-177.6	0	0	112.2	S8 Q9 K10 A147	E6-S8 VanDerWaalsContact C-N 3.29Å; E6-S8 PolarHBondContact O-N 2.84Å; E6-Q9 PolarHBondContact O-N 3.49Å; E6-K10 HydrophobicContact CG-CG 4.2Å; E6-K10 WeakPolarHBondContact O-CB 3.5Å; E6-K10 WeakPolarHBondContact O-CG 3.38Å; E6-K10 PolarHBondContact O-N 3.16Å; E6-A147 HydrophobicContact CG-CB 4.19Å
7	V	96.2	Very high	89.1	Confident	0 Å²	0	72 Å²	72	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-55.5	-46.1	172.4	179.5	0	0	0	0	111.1	F4 E5 S11 L45 L104 L107 A147 L148	F4-V7 HydrophobicContact CD1-CG2 4.21Å; F4-V7 PolarHBondContact O-N 3.4Å; E5-V7 PolarHBondContact O-N 3.06Å; V7-S11 WeakPolarHBondContact O-CB 3.4Å; V7-S11 PolarHBondContact O-N 2.91Å; V7-S11 PolarHBondContact O-OG 2.8Å; V7-L45 HydrophobicContact CG1-CD1 3.89Å; V7-L45 HydrophobicContact CG1-CD2 4.04Å; V7-L45 HydrophobicContact CG2-CD2 3.92Å; V7-L104 HydrophobicContact CB-CD2 4.32Å; V7-L104 HydrophobicContact CG1-CD2 3.95Å; V7-L107 HydrophobicContact CG1-CD1 3.78Å; V7-A147 HydrophobicContact CG2-CB 4.18Å; V7-A147 WeakPolarHBondContact CG2-O 3.05Å; V7-L148 HydrophobicContact CG2-CB 4.47Å; V7-L148 HydrophobicContact CG2-CD1 3.98Å
8	S	93.7	Very high	89.2	Confident	45 Å²	45	76.3 Å²	76.3	32%	0.315	43%	0.426	S	S	.	.	H	α-helix	trans	-64.1	-45.7	-179.8	-51.4	0	0	0	0	111.4	F4 E5 E6 S11 A12 L104	F4-S8 PolarHBondContact O-N 3.45Å; F4-S8 PolarHBondContact O-OG 3.11Å; E5-S8 WeakPolarHBondContact O-CB 3.46Å; E5-S8 PolarHBondContact O-N 2.88Å; E5-S8 VanDerWaalsContact O-N 3.16Å; E6-S8 VanDerWaalsContact C-N 3.29Å; E6-S8 PolarHBondContact O-N 2.84Å; S8-S11 PolarHBondContact O-OG 3.04Å; S8-A12 PolarHBondContact O-N 3.28Å; S8-L104 VanDerWaalsContact OG-CD1 3.27Å; S8-L104 WeakPolarHBondContact OG-CD1 3.43Å
9	Q	93.9	Very high	89.2	Confident	118 Å²	118	75.8 Å²	75.8	55%	0.551	44%	0.44	S	S	*	.	H	α-helix	trans	-65.2	-47	179.5	-69.6	173.8	3.6	0	0	112	E5 E6 A12	E5-Q9 WeakPolarHBondContact O-CG 3.14Å; E5-Q9 PolarHBondContact O-N 2.67Å; E5-Q9 PolarHBondContact OE1-NE2 2.96Å; E6-Q9 PolarHBondContact O-N 3.49Å; Q9-A12 PolarHBondContact O-N 3.08Å
10	K	96.1	Very high	89.3	Confident	73 Å²	73	73.3 Å²	73.3	32%	0.317	42%	0.424	S	S	.	.	H	α-helix	trans	-68.8	-39.1	-179.4	-73.4	-70.4	-169.2	164.2	0	112.6	E6 A12 V13 H14 F41 A147	E6-K10 HydrophobicContact CG-CG 4.2Å; E6-K10 WeakPolarHBondContact O-CB 3.5Å; E6-K10 WeakPolarHBondContact O-CG 3.38Å; E6-K10 PolarHBondContact O-N 3.16Å; K10-A12 PolarHBondContact O-N 3.03Å; K10-V13 WeakPolarHBondContact O-CB 3.5Å; K10-V13 PolarHBondContact O-N 3.43Å; K10-H14 PolarHBondContact O-CD2 3.28Å; K10-H14 VanDerWaalsContact O-CD2 3.27Å; K10-F41 HydrophobicContact CB-CE2 3.63Å; K10-F41 HydrophobicContact CB-CZ 3.85Å; K10-A147 HydrophobicContact CB-CB 4.2Å; K10-A147 HydrophobicContact CG-CB 4.18Å
11	S	96.3	Very high	89.4	Confident	3 Å²	3	75.1 Å²	75.1	2%	0.021	44%	0.436	C	S	.	.	H	α-helix	trans	-59	-30.3	177.1	65.4	0	0	0	0	113.2	V7 S8 V13 H14 Q100	V7-S11 WeakPolarHBondContact O-CB 3.4Å; V7-S11 PolarHBondContact O-N 2.91Å; V7-S11 PolarHBondContact O-OG 2.8Å; S8-S11 PolarHBondContact O-OG 3.04Å; S11-V13 PolarHBondContact O-N 3.39Å; S11-H14 CarbonylContact O-C 3.53Å; S11-H14 VanDerWaalsContact O-C 3.23Å; S11-H14 PolarHBondContact O-N 3.13Å; S11-Q100 PolarHBondContact OG-NE2 2.96Å
12	A	94.9	Very high	91.5	Very high	66 Å²	66	65.4 Å²	65.4	55%	0.545	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-21.9	176	0	0	0	0	0	113.5	S8 Q9 K10 H14	S8-A12 PolarHBondContact O-N 3.28Å; Q9-A12 PolarHBondContact O-N 3.08Å; K10-A12 PolarHBondContact O-N 3.03Å; A12-H14 VanDerWaalsContact C-N 3.33Å
13	V	96.6	Very high	92.8	Very high	102 Å²	102	68 Å²	68	62%	0.618	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-17.6	173.7	-173.5	0	0	0	0	111.5	K10 S11 P15	K10-V13 WeakPolarHBondContact O-CB 3.5Å; K10-V13 PolarHBondContact O-N 3.43Å; S11-V13 PolarHBondContact O-N 3.39Å; V13-P15 WeakPolarHBondContact O-CD 3.48Å
14	H	97.8	Very high	93.5	Very high	10 Å²	10	62.9 Å²	62.9	5%	0.046	36%	0.363	C	S	.	.	S	Bend	trans	-117	63.5	178.5	-56.3	-72.3	0	0	0	111.5	K10 S11 A12 D37 H38 F41 D143	K10-H14 PolarHBondContact O-CD2 3.28Å; K10-H14 VanDerWaalsContact O-CD2 3.27Å; S11-H14 CarbonylContact O-C 3.53Å; S11-H14 VanDerWaalsContact O-C 3.23Å; S11-H14 PolarHBondContact O-N 3.13Å; A12-H14 VanDerWaalsContact C-N 3.33Å; H14-D37 VanDerWaalsContact CA-OD2 3.32Å; H14-D37 WeakPolarHBondContact CA-OD2 3.42Å; H14-D37 WeakPolarHBondContact CB-OD2 3.16Å; H14-D37 IonicContact CE1-OD2 3.63Å; H14-D37 IonicContact CG-OD2 3.28Å; H14-D37 IonicContact ND1-OD1 2.65Å; H14-D37 PolarHBondContact ND1-OD1 2.6Å; H14-D37 IonicContact ND1-OD2 3.95Å; H14-D37 PolarHBondContact ND1-OD2 3.37Å; H14-H38 WeakPolarHBondContact O-CB 3.19Å; H14-F41 HydrophobicContact CB-CB 3.89Å; H14-F41 HydrophobicContact CB-CD1 4.42Å; H14-F41 HydrophobicContact CB-CG 4.11Å; H14-F41 AromaticContact CD2-CD2 3.37Å; H14-F41 WeakPolarHBondContact CD2-CD2 3.42Å; H14-F41 AromaticContact CD2-CG 3.57Å; H14-F41 AromaticContact CG-CG 3.96Å; H14-F41 AromaticContact NE2-CD2 3.85Å; H14-D143 IonicContact CE1-OD2 3.55Å; H14-D143 IonicContact NE2-OD2 2.74Å; H14-D143 PolarHBondContact NE2-OD2 3Å
15	P	96.5	Very high	93.1	Very high	83 Å²	83	62.8 Å²	62.8	54%	0.539	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-67.8	139.5	-172.1	29.1	-35.9	0	0	0	112	V13 P17	V13-P15 WeakPolarHBondContact O-CD 3.48Å; P15-P17 WeakPolarHBondContact O-CD 3.25Å
16	K	96.2	Very high	92.4	Very high	27 Å²	27	61.1 Å²	61.1	12%	0.117	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-68.1	129.7	171	180	-177.6	172.9	-158.8	0	110	L20 N97 E99	K16-L20 WeakPolarHBondContact CE-O 3.48Å; K16-L20 PolarHBondContact NZ-O 3.33Å; K16-N97 PolarHBondContact NZ-O 3.18Å; K16-E99 IonicContact NZ-OE1 3.96Å; K16-E99 PolarHBondContact NZ-OE1 3.44Å; K16-E99 IonicContact NZ-OE2 3.1Å
17	P	94.7	Very high	92	Very high	47 Å²	47	57.6 Å²	57.6	31%	0.305	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-61.9	134.5	170.2	-23.1	34.1	0	0	0	112.1	P15 G19 L20 H38	P15-P17 WeakPolarHBondContact O-CD 3.25Å; P17-G19 PolarHBondContact O-N 3.31Å; P17-L20 HydrophobicContact CB-CB 4.09Å; P17-L20 HydrophobicContact CB-CD2 4.11Å; P17-L20 HydrophobicContact CG-CD2 3.86Å; P17-L20 WeakPolarHBondContact O-CB 3.22Å; P17-L20 PolarHBondContact O-N 3.44Å; P17-H38 WeakPolarHBondContact CD-ND1 3.44Å
18	V	91.1	Very high	91.8	Very high	150 Å²	150	57.9 Å²	57.9	91%	0.909	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	128.8	-177.2	179.5	0	0	0	0	111.1	L20	V18-L20 PolarHBondContact O-N 3.3Å
19	G	88.4	Confident	91.9	Very high	66 Å²	66	55.8 Å²	55.8	68%	0.68	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	2.3	176.2	0	0	0	0	0	115.3	P17 V21	P17-G19 PolarHBondContact O-N 3.31Å; G19-V21 PolarHBondContact O-N 3.05Å
20	L	91.3	Very high	91.8	Very high	25 Å²	25	52 Å²	52	13%	0.131	32%	0.322	C	S	.	.			trans	-74.4	126.9	176.5	-178.3	63.6	0	0	0	110.5	K16 P17 V18 L22 Q35	K16-L20 WeakPolarHBondContact CE-O 3.48Å; K16-L20 PolarHBondContact NZ-O 3.33Å; P17-L20 HydrophobicContact CB-CB 4.09Å; P17-L20 HydrophobicContact CB-CD2 4.11Å; P17-L20 HydrophobicContact CG-CD2 3.86Å; P17-L20 WeakPolarHBondContact O-CB 3.22Å; P17-L20 PolarHBondContact O-N 3.44Å; V18-L20 PolarHBondContact O-N 3.3Å; L20-L22 HydrophobicContact CD1-CD2 4.05Å; L20-L22 HydrophobicContact CD1-CG 4.06Å; L20-L22 HydrophobicContact CD2-CD1 4.05Å; L20-L22 HydrophobicContact CD2-CG 4.38Å; L20-L22 HydrophobicContact CG-CD1 4.27Å; L20-L22 HydrophobicContact CG-CG 4.06Å; L20-Q35 HydrophobicContact CD2-CB 3.84Å; L20-Q35 HydrophobicContact CD2-CG 4.4Å
21	V	91.8	Very high	91.7	Very high	112 Å²	112	50.1 Å²	50.1	68%	0.679	32%	0.316	S	S	*	.			trans	-125.8	127.5	172.1	-179.3	0	0	0	0	108.3	G19 N97	G19-V21 PolarHBondContact O-N 3.05Å; V21-N97 WeakPolarHBondContact CA-OD1 3.44Å
22	L	89.9	Confident	91.7	Very high	25 Å²	25	52.3 Å²	52.3	13%	0.131	33%	0.328	C	S	.	.			trans	-126.7	149.2	-179.5	-66.7	173.5	0	0	0	110.4	L20 F29 T31 L36 V39 N97	L20-L22 HydrophobicContact CD1-CD2 4.05Å; L20-L22 HydrophobicContact CD1-CG 4.06Å; L20-L22 HydrophobicContact CD2-CD1 4.05Å; L20-L22 HydrophobicContact CD2-CG 4.38Å; L20-L22 HydrophobicContact CG-CD1 4.27Å; L20-L22 HydrophobicContact CG-CG 4.06Å; L22-F29 HydrophobicContact CB-CD1 3.84Å; L22-F29 HydrophobicContact CB-CE1 3.88Å; L22-T31 HydrophobicContact CD1-CG2 4.15Å; L22-T31 HydrophobicContact CD2-CG2 4.09Å; L22-L36 HydrophobicContact CD1-CD2 4.47Å; L22-V39 HydrophobicContact CD1-CG2 3.72Å; L22-N97 PolarHBondContact N-OD1 3.25Å; L22-N97 PolarHBondContact O-ND2 2.87Å; L22-N97 PolarHBondContact O-OD1 2.89Å
23	Q	90.8	Very high	91.8	Very high	136 Å²	136	50.3 Å²	50.3	64%	0.636	31%	0.31	S	S	*	.			trans	-113.7	138	174.6	-173	175.7	8.4	0	0	109.6	G25 F29	Q23-G25 PolarHBondContact O-N 2.81Å; Q23-G25 VanDerWaalsContact O-N 3.15Å; Q23-F29 WeakPolarHBondContact O-CD1 3.35Å
24	Y	89.8	Confident	91.8	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.016	32%	0.319	C	S	.	.			trans	-70.6	109.3	169.1	-163.8	-79.9	0	0	0	108.3	G28 F29 L76 V84 E89 A92 T93	Y24-G28 VanDerWaalsContact CZ-CA 3.44Å; Y24-F29 AromaticContact CD2-CD2 3.69Å; Y24-F29 HydrophobicContact CD2-CD2 3.69Å; Y24-F29 AromaticContact CD2-CE2 3.56Å; Y24-F29 HydrophobicContact CD2-CE2 3.56Å; Y24-F29 HydrophobicContact CD2-CG 4.34Å; Y24-F29 HydrophobicContact CD2-CZ 4.1Å; Y24-F29 HydrophobicContact CE2-CD2 4.3Å; Y24-F29 HydrophobicContact CE2-CE2 4.43Å; Y24-F29 HydrophobicContact CG-CE2 4.41Å; Y24-F29 VanDerWaalsContact N-CE1 3.3Å; Y24-L76 PolarHBondContact OH-N 3.18Å; Y24-L76 VanDerWaalsContact OH-N 3.12Å; Y24-V84 HydrophobicContact CE1-CG1 3.91Å; Y24-V84 WeakPolarHBondContact OH-CG1 3.28Å; Y24-E89 HydrophobicContact CD1-CB 3.76Å; Y24-E89 HydrophobicContact CD1-CG 3.56Å; Y24-E89 HydrophobicContact CE1-CB 4.46Å; Y24-E89 HydrophobicContact CE1-CG 3.84Å; Y24-E89 HydrophobicContact CG-CB 4.2Å; Y24-E89 HydrophobicContact CG-CG 4.44Å; Y24-A92 HydrophobicContact CD2-CB 3.43Å; Y24-A92 VanDerWaalsContact CD2-CB 3.43Å; Y24-A92 HydrophobicContact CE2-CB 4.01Å; Y24-A92 HydrophobicContact CG-CB 3.97Å; Y24-T93 WeakPolarHBondContact CB-OG1 3.41Å; Y24-T93 PolarHBondContact N-OG1 2.79Å
25	G	83.3	Confident	91.7	Very high	21 Å²	21	57.2 Å²	57.2	22%	0.216	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-86.7	-170.2	-177.6	0	0	0	0	0	113.3	Q23 A27 G28	Q23-G25 PolarHBondContact O-N 2.81Å; Q23-G25 VanDerWaalsContact O-N 3.15Å; G25-A27 PolarHBondContact O-N 3.41Å; G25-G28 PolarHBondContact N-O 2.97Å; G25-G28 PolarHBondContact O-N 3.49Å; G25-G28 VanDerWaalsContact O-N 3.16Å
26	T	76.9	Confident	91.8	Very high	74 Å²	74	53.3 Å²	53.3	45%	0.454	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-33.4	178	49.8	0	0	0	0	113.1	K355	T26-K355 WeakPolarHBondContact O-CE 3.44Å; T26-K355 PolarHBondContact O-NZ 2.82Å
27	A	85.1	Confident	91.9	Very high	23 Å²	23	54.5 Å²	54.5	19%	0.19	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126	39.1	-179.1	0	0	0	0	0	112.6	G25 R30 K75	G25-A27 PolarHBondContact O-N 3.41Å; A27-R30 PolarHBondContact O-NE 3.45Å; A27-K75 WeakPolarHBondContact O-CG 3.31Å
28	G	92.6	Very high	92.1	Very high	5 Å²	5	52.3 Å²	52.3	5%	0.052	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	86	-161.7	175.2	0	0	0	0	0	115	Y24 G25 V74	Y24-G28 VanDerWaalsContact CZ-CA 3.44Å; G25-G28 PolarHBondContact N-O 2.97Å; G25-G28 PolarHBondContact O-N 3.49Å; G25-G28 VanDerWaalsContact O-N 3.16Å; G28-V74 VanDerWaalsContact CA-O 3.31Å; G28-V74 WeakPolarHBondContact CA-O 3.31Å
29	F	95.4	Very high	92.4	Very high	1 Å²	1	45.1 Å²	45.1	0%	0.004	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	133.4	173	-68.7	-70.2	0	0	0	110	L22 Q23 Y24 L36 V39 M43 G73 V74 A92 A96	L22-F29 HydrophobicContact CB-CD1 3.84Å; L22-F29 HydrophobicContact CB-CE1 3.88Å; Q23-F29 WeakPolarHBondContact O-CD1 3.35Å; Y24-F29 AromaticContact CD2-CD2 3.69Å; Y24-F29 HydrophobicContact CD2-CD2 3.69Å; Y24-F29 AromaticContact CD2-CE2 3.56Å; Y24-F29 HydrophobicContact CD2-CE2 3.56Å; Y24-F29 HydrophobicContact CD2-CG 4.34Å; Y24-F29 HydrophobicContact CD2-CZ 4.1Å; Y24-F29 HydrophobicContact CE2-CD2 4.3Å; Y24-F29 HydrophobicContact CE2-CE2 4.43Å; Y24-F29 HydrophobicContact CG-CE2 4.41Å; Y24-F29 VanDerWaalsContact N-CE1 3.3Å; F29-L36 HydrophobicContact CB-CD2 4.42Å; F29-V39 HydrophobicContact CB-CG1 3.91Å; F29-V39 HydrophobicContact CD1-CG1 4.4Å; F29-V39 HydrophobicContact CD2-CG1 3.29Å; F29-V39 HydrophobicContact CE2-CG1 3.81Å; F29-V39 HydrophobicContact CG-CG1 3.62Å; F29-M43 HydrophobicContact CD2-CG 4.19Å; F29-M43 HydrophobicContact CD2-SD 4.04Å; F29-M43 HydrophobicContact CE2-CE 3.83Å; F29-M43 HydrophobicContact CE2-CG 4.32Å; F29-M43 HydrophobicContact CE2-SD 3.67Å; F29-G73 CarbonylContact O-C 3.38Å; F29-G73 WeakPolarHBondContact O-CA 3.34Å; F29-V74 HydrophobicContact CB-CG1 4.09Å; F29-V74 HydrophobicContact CD2-CG1 4.19Å; F29-V74 PolarHBondContact N-O 3.08Å; F29-V74 PolarHBondContact O-N 3.35Å; F29-A92 HydrophobicContact CE2-CB 4.07Å; F29-A92 HydrophobicContact CZ-CB 4.41Å; F29-A92 WeakPolarHBondContact CZ-O 3.43Å; F29-A96 HydrophobicContact CE1-CB 3.86Å; F29-A96 HydrophobicContact CE2-CB 3.73Å; F29-A96 HydrophobicContact CZ-CB 3.27Å
30	R	93.6	Very high	92.9	Very high	39 Å²	39	42 Å²	42	15%	0.147	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	128.3	175.3	-63.4	-179	-174.6	-163.5	-3.5	109.6	A27 A64 N67 N72	A27-R30 PolarHBondContact O-NE 3.45Å; R30-A64 HydrophobicContact CG-CB 4.47Å; R30-A64 PolarHBondContact NH1-O 2.82Å; R30-N67 PolarHBondContact NH1-OD1 3.31Å; R30-N72 WeakPolarHBondContact CA-O 3.33Å
31	T	93	Very high	93.3	Very high	33 Å²	33	40.8 Å²	40.8	20%	0.202	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	-172.8	172.3	-175	0	0	0	0	107.8	L22 S33 Q35 L36 D71 N72	L22-T31 HydrophobicContact CD1-CG2 4.15Å; L22-T31 HydrophobicContact CD2-CG2 4.09Å; T31-S33 PolarHBondContact O-N 3.47Å; T31-Q35 HydrophobicContact CG2-CB 3.95Å; T31-Q35 PolarHBondContact OG1-OE1 3.33Å; T31-Q35 VanDerWaalsContact OG1-OE1 3.07Å; T31-L36 HydrophobicContact CG2-CD1 4.36Å; T31-L36 HydrophobicContact CG2-CD2 3.67Å; T31-L36 HydrophobicContact CG2-CG 3.78Å; T31-D71 WeakPolarHBondContact O-CA 3.5Å; T31-D71 WeakPolarHBondContact O-CB 3.26Å; T31-N72 PolarHBondContact N-O 3.32Å; T31-N72 PolarHBondContact O-N 3.47Å
32	N	95.6	Very high	93.6	Very high	49 Å²	49	35.5 Å²	35.5	26%	0.262	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	131.9	171.6	-168.4	-88.5	0	0	0	110.8	K34 Q35 D71	N32-K34 PolarHBondContact O-N 3.33Å; N32-K34 WeakPolarHBondContact OD1-CB 3.24Å; N32-K34 WeakPolarHBondContact OD1-CG 3.25Å; N32-K34 PolarHBondContact OD1-N 3.47Å; N32-Q35 PolarHBondContact O-N 3.11Å; N32-D71 WeakPolarHBondContact CA-OD1 3.42Å; N32-D71 PolarHBondContact N-OD1 2.89Å
33	S	97	Very high	94	Very high	24 Å²	24	34.3 Å²	34.3	17%	0.168	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-55.4	-29.9	-174	53.2	0	0	0	0	114.5	T31 Q35 L36 E70 S133	T31-S33 PolarHBondContact O-N 3.47Å; S33-Q35 PolarHBondContact O-N 2.94Å; S33-Q35 VanDerWaalsContact O-N 3.12Å; S33-L36 PolarHBondContact O-N 2.96Å; S33-E70 WeakPolarHBondContact CB-O 3.35Å; S33-E70 PolarHBondContact N-O 3.31Å; S33-E70 PolarHBondContact OG-O 3.18Å; S33-S133 VanDerWaalsContact CB-CB 3.48Å; S33-S133 WeakPolarHBondContact CB-OG 3.48Å
34	K	96.9	Very high	94.4	Very high	185 Å²	185	27.9 Å²	27.9	80%	0.804	15%	0.15	S	C	*	.	G	3₁₀ helix	trans	-64.2	-16	179.1	-62.3	179.4	-178.9	179.1	0	114.1	N32	N32-K34 PolarHBondContact O-N 3.33Å; N32-K34 WeakPolarHBondContact OD1-CB 3.24Å; N32-K34 WeakPolarHBondContact OD1-CG 3.25Å; N32-K34 PolarHBondContact OD1-N 3.47Å
35	Q	96.3	Very high	94.8	Very high	73 Å²	73	27.7 Å²	27.7	34%	0.341	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-100.6	-4.6	-177	-65.7	180	-7.7	0	0	113.3	L20 T31 N32 S33 H38	L20-Q35 HydrophobicContact CD2-CB 3.84Å; L20-Q35 HydrophobicContact CD2-CG 4.4Å; T31-Q35 HydrophobicContact CG2-CB 3.95Å; T31-Q35 PolarHBondContact OG1-OE1 3.33Å; T31-Q35 VanDerWaalsContact OG1-OE1 3.07Å; N32-Q35 PolarHBondContact O-N 3.11Å; S33-Q35 PolarHBondContact O-N 2.94Å; S33-Q35 VanDerWaalsContact O-N 3.12Å; Q35-H38 PolarHBondContact O-CE1 3.28Å; Q35-H38 VanDerWaalsContact O-CE1 3.29Å; Q35-H38 PolarHBondContact O-ND1 2.95Å
36	L	97.8	Very high	95.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.139	C	C	.	.			trans	-98.1	-12.5	-164.7	-74.3	172.1	0	0	0	115.5	L22 F29 T31 S33 H38 V39 M40 N72 L137	L22-L36 HydrophobicContact CD1-CD2 4.47Å; F29-L36 HydrophobicContact CB-CD2 4.42Å; T31-L36 HydrophobicContact CG2-CD1 4.36Å; T31-L36 HydrophobicContact CG2-CD2 3.67Å; T31-L36 HydrophobicContact CG2-CG 3.78Å; S33-L36 PolarHBondContact O-N 2.96Å; L36-H38 PolarHBondContact O-N 3.49Å; L36-V39 HydrophobicContact CD2-CB 4.22Å; L36-V39 HydrophobicContact CD2-CG1 4.48Å; L36-V39 HydrophobicContact CD2-CG2 4.21Å; L36-V39 CarbonylContact O-C 3.23Å; L36-V39 WeakPolarHBondContact O-CA 3.33Å; L36-V39 VanDerWaalsContact O-CB 3.3Å; L36-V39 WeakPolarHBondContact O-CB 3.33Å; L36-V39 PolarHBondContact O-N 3.42Å; L36-M40 HydrophobicContact CB-CE 3.98Å; L36-M40 HydrophobicContact CB-CG 4.49Å; L36-M40 HydrophobicContact CD1-CE 3.99Å; L36-M40 HydrophobicContact CG-CE 4.46Å; L36-M40 WeakPolarHBondContact O-CG 3.46Å; L36-M40 PolarHBondContact O-N 3.41Å; L36-N72 HydrophobicContact CD1-CB 3.95Å; L36-N72 WeakPolarHBondContact CD1-O 3.48Å; L36-L137 HydrophobicContact CB-CD1 4.4Å; L36-L137 HydrophobicContact CB-CD2 3.94Å
37	D	98.6	Very high	96.6	Very high	52 Å²	52	23.1 Å²	23.1	28%	0.278	12%	0.117	S	C	.	.	H	α-helix	trans	-52.5	-53.4	-172.4	-175.5	76.3	0	0	0	113.5	H14 V39 M40 F41	H14-D37 VanDerWaalsContact CA-OD2 3.32Å; H14-D37 WeakPolarHBondContact CA-OD2 3.42Å; H14-D37 WeakPolarHBondContact CB-OD2 3.16Å; H14-D37 IonicContact CE1-OD2 3.63Å; H14-D37 IonicContact CG-OD2 3.28Å; H14-D37 IonicContact ND1-OD1 2.65Å; H14-D37 PolarHBondContact ND1-OD1 2.6Å; H14-D37 IonicContact ND1-OD2 3.95Å; H14-D37 PolarHBondContact ND1-OD2 3.37Å; D37-V39 VanDerWaalsContact C-N 3.29Å; D37-V39 PolarHBondContact O-N 3.1Å; D37-M40 WeakPolarHBondContact O-CB 3.3Å; D37-M40 PolarHBondContact O-N 3.35Å; D37-F41 PolarHBondContact O-N 3.37Å; D37-F41 VanDerWaalsContact O-N 3.14Å
38	H	98.3	Very high	97.3	Very high	1 Å²	1	22 Å²	22	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-60.7	-34.5	174.7	78.6	-68.8	0	0	0	113.6	H14 P17 Q35 L36 R42 A96	H14-H38 WeakPolarHBondContact O-CB 3.19Å; P17-H38 WeakPolarHBondContact CD-ND1 3.44Å; Q35-H38 PolarHBondContact O-CE1 3.28Å; Q35-H38 VanDerWaalsContact O-CE1 3.29Å; Q35-H38 PolarHBondContact O-ND1 2.95Å; L36-H38 PolarHBondContact O-N 3.49Å; H38-R42 WeakPolarHBondContact O-CB 3.32Å; H38-R42 VanDerWaalsContact O-CD 3.26Å; H38-R42 WeakPolarHBondContact O-CD 3.39Å; H38-R42 WeakPolarHBondContact O-CG 3.37Å; H38-R42 PolarHBondContact O-N 3.29Å; H38-A96 PolarHBondContact NE2-O 3.49Å
39	V	98.4	Very high	97.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-65.7	-45.3	177.4	-177.8	0	0	0	0	109.6	L22 F29 L36 D37 F41 R42 M43 V74 A96	L22-V39 HydrophobicContact CD1-CG2 3.72Å; F29-V39 HydrophobicContact CB-CG1 3.91Å; F29-V39 HydrophobicContact CD1-CG1 4.4Å; F29-V39 HydrophobicContact CD2-CG1 3.29Å; F29-V39 HydrophobicContact CE2-CG1 3.81Å; F29-V39 HydrophobicContact CG-CG1 3.62Å; L36-V39 HydrophobicContact CD2-CB 4.22Å; L36-V39 HydrophobicContact CD2-CG1 4.48Å; L36-V39 HydrophobicContact CD2-CG2 4.21Å; L36-V39 CarbonylContact O-C 3.23Å; L36-V39 WeakPolarHBondContact O-CA 3.33Å; L36-V39 VanDerWaalsContact O-CB 3.3Å; L36-V39 WeakPolarHBondContact O-CB 3.33Å; L36-V39 PolarHBondContact O-N 3.42Å; D37-V39 VanDerWaalsContact C-N 3.29Å; D37-V39 PolarHBondContact O-N 3.1Å; V39-F41 PolarHBondContact O-N 3.09Å; V39-R42 PolarHBondContact O-N 2.83Å; V39-M43 HydrophobicContact CG1-CG 4.17Å; V39-M43 WeakPolarHBondContact O-CB 3.47Å; V39-M43 VanDerWaalsContact O-CG 3.29Å; V39-M43 WeakPolarHBondContact O-CG 3.34Å; V39-M43 PolarHBondContact O-N 3.47Å; V39-V74 HydrophobicContact CG1-CG1 4.17Å; V39-A96 HydrophobicContact CG1-CB 4.34Å; V39-A96 HydrophobicContact CG2-CB 4.44Å
40	M	98.7	Very high	97.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-58.5	-50	179	-65.4	-54.4	176.2	0	0	111.4	L36 D37 R42 M43 G44 V62 G73 V74 L137 A140 V141	L36-M40 HydrophobicContact CB-CE 3.98Å; L36-M40 HydrophobicContact CB-CG 4.49Å; L36-M40 HydrophobicContact CD1-CE 3.99Å; L36-M40 HydrophobicContact CG-CE 4.46Å; L36-M40 WeakPolarHBondContact O-CG 3.46Å; L36-M40 PolarHBondContact O-N 3.41Å; D37-M40 WeakPolarHBondContact O-CB 3.3Å; D37-M40 PolarHBondContact O-N 3.35Å; M40-R42 VanDerWaalsContact C-N 3.34Å; M40-R42 PolarHBondContact O-N 3.15Å; M40-M43 PolarHBondContact O-N 2.96Å; M40-G44 PolarHBondContact O-N 3.21Å; M40-V62 HydrophobicContact CE-CG1 4.22Å; M40-G73 VanDerWaalsContact CE-O 3.31Å; M40-G73 WeakPolarHBondContact CE-O 3.34Å; M40-V74 HydrophobicContact CE-CB 4.03Å; M40-V74 HydrophobicContact CE-CG1 4.29Å; M40-V74 HydrophobicContact SD-CB 3.55Å; M40-V74 VanDerWaalsContact SD-CB 3.55Å; M40-V74 HydrophobicContact SD-CG1 3.8Å; M40-V74 HydrophobicContact SD-CG2 4.2Å; M40-L137 HydrophobicContact CE-CB 3.96Å; M40-L137 HydrophobicContact CE-CD1 3.8Å; M40-L137 HydrophobicContact CE-CD2 4.23Å; M40-L137 HydrophobicContact CE-CG 4.21Å; M40-L137 HydrophobicContact CG-CB 3.8Å; M40-L137 HydrophobicContact CG-CD2 3.6Å; M40-L137 HydrophobicContact CG-CG 4.2Å; M40-L137 HydrophobicContact SD-CB 4.32Å; M40-A140 HydrophobicContact CB-CB 3.67Å; M40-V141 HydrophobicContact CB-CG2 3.87Å; M40-V141 HydrophobicContact CG-CG2 4.45Å; M40-V141 HydrophobicContact SD-CG2 4.12Å
41	F	98.8	Very high	97.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-55.3	-48.7	175.1	173.2	-99.3	0	0	0	112	K10 H14 D37 V39 M43 G44 L45 L103 A140 D143 G144 A147	K10-F41 HydrophobicContact CB-CE2 3.63Å; K10-F41 HydrophobicContact CB-CZ 3.85Å; H14-F41 HydrophobicContact CB-CB 3.89Å; H14-F41 HydrophobicContact CB-CD1 4.42Å; H14-F41 HydrophobicContact CB-CG 4.11Å; H14-F41 AromaticContact CD2-CD2 3.37Å; H14-F41 WeakPolarHBondContact CD2-CD2 3.42Å; H14-F41 AromaticContact CD2-CG 3.57Å; H14-F41 AromaticContact CG-CG 3.96Å; H14-F41 AromaticContact NE2-CD2 3.85Å; D37-F41 PolarHBondContact O-N 3.37Å; D37-F41 VanDerWaalsContact O-N 3.14Å; V39-F41 PolarHBondContact O-N 3.09Å; F41-M43 VanDerWaalsContact C-N 3.32Å; F41-M43 PolarHBondContact O-N 3.44Å; F41-G44 PolarHBondContact O-N 3.42Å; F41-G44 VanDerWaalsContact O-N 3.13Å; F41-L45 HydrophobicContact CD1-CD1 4.19Å; F41-L45 HydrophobicContact CE1-CD1 3.61Å; F41-L45 HydrophobicContact CE1-CG 4.26Å; F41-L45 HydrophobicContact CZ-CD1 4.06Å; F41-L45 HydrophobicContact CZ-CD2 4.34Å; F41-L45 HydrophobicContact CZ-CG 4.35Å; F41-L45 PolarHBondContact O-N 2.91Å; F41-L45 VanDerWaalsContact O-N 3.14Å; F41-L103 HydrophobicContact CE1-CD2 4.41Å; F41-A140 VanDerWaalsContact CA-O 3.23Å; F41-A140 WeakPolarHBondContact CA-O 3.34Å; F41-D143 HydrophobicContact CD2-CB 4.15Å; F41-D143 HydrophobicContact CE2-CB 4.49Å; F41-G144 VanDerWaalsContact CD2-CA 3.45Å; F41-G144 VanDerWaalsContact CD2-N 3.34Å; F41-G144 VanDerWaalsContact CE2-CA 3.48Å; F41-G144 WeakPolarHBondContact O-CA 3.46Å; F41-A147 HydrophobicContact CE2-CB 4.15Å; F41-A147 HydrophobicContact CZ-CB 4.3Å
42	R	98.6	Very high	98.2	Very high	1 Å²	1	20.5 Å²	20.5	0%	0.004	10%	0.098	C	C	.	.	H	α-helix	trans	-68.4	-30.2	-179.3	-66.5	165.5	179.2	-153.5	1.7	112.8	H38 V39 M40 L45 L46 L95 A96 A98 L103	H38-R42 WeakPolarHBondContact O-CB 3.32Å; H38-R42 VanDerWaalsContact O-CD 3.26Å; H38-R42 WeakPolarHBondContact O-CD 3.39Å; H38-R42 WeakPolarHBondContact O-CG 3.37Å; H38-R42 PolarHBondContact O-N 3.29Å; V39-R42 PolarHBondContact O-N 2.83Å; M40-R42 VanDerWaalsContact C-N 3.34Å; M40-R42 PolarHBondContact O-N 3.15Å; R42-L45 WeakPolarHBondContact O-CB 3.28Å; R42-L45 PolarHBondContact O-N 2.96Å; R42-L46 PolarHBondContact O-N 3.47Å; R42-L95 VanDerWaalsContact CD-O 3.29Å; R42-L95 WeakPolarHBondContact CD-O 3.2Å; R42-L95 PolarHBondContact NH1-O 3.42Å; R42-A96 PolarHBondContact NH1-O 2.94Å; R42-A98 VanDerWaalsContact CZ-O 3.27Å; R42-A98 PolarHBondContact NH1-O 2.97Å; R42-A98 PolarHBondContact NH2-O 3.06Å; R42-L103 HydrophobicContact CG-CD1 4.08Å
43	M	98.8	Very high	98.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-72.3	-31.3	172.2	-70.2	-49	92.5	0	0	112.4	F29 V39 M40 F41 L46 A47 V74 L76 A92 L95	F29-M43 HydrophobicContact CD2-CG 4.19Å; F29-M43 HydrophobicContact CD2-SD 4.04Å; F29-M43 HydrophobicContact CE2-CE 3.83Å; F29-M43 HydrophobicContact CE2-CG 4.32Å; F29-M43 HydrophobicContact CE2-SD 3.67Å; V39-M43 HydrophobicContact CG1-CG 4.17Å; V39-M43 WeakPolarHBondContact O-CB 3.47Å; V39-M43 VanDerWaalsContact O-CG 3.29Å; V39-M43 WeakPolarHBondContact O-CG 3.34Å; V39-M43 PolarHBondContact O-N 3.47Å; M40-M43 PolarHBondContact O-N 2.96Å; F41-M43 VanDerWaalsContact C-N 3.32Å; F41-M43 PolarHBondContact O-N 3.44Å; M43-L46 HydrophobicContact CE-CD2 4.29Å; M43-L46 PolarHBondContact O-N 3.28Å; M43-L46 HydrophobicContact SD-CD2 4.23Å; M43-A47 VanDerWaalsContact O-CB 3.27Å; M43-A47 WeakPolarHBondContact O-CB 3.34Å; M43-A47 PolarHBondContact O-N 3.27Å; M43-V74 HydrophobicContact CB-CG1 4.35Å; M43-V74 HydrophobicContact CB-CG2 4.09Å; M43-V74 HydrophobicContact CG-CG1 3.71Å; M43-V74 HydrophobicContact CG-CG2 4.24Å; M43-L76 HydrophobicContact CB-CD2 4.4Å; M43-L76 HydrophobicContact SD-CD1 4.31Å; M43-A92 HydrophobicContact CE-CB 4.08Å; M43-A92 HydrophobicContact SD-CB 3.8Å; M43-L95 HydrophobicContact CE-CB 4.49Å
44	G	98.8	Very high	98.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-58.8	-46	167.3	0	0	0	0	0	112.2	M40 F41 A47 T48 V141	M40-G44 PolarHBondContact O-N 3.21Å; F41-G44 PolarHBondContact O-N 3.42Å; F41-G44 VanDerWaalsContact O-N 3.13Å; G44-A47 PolarHBondContact O-N 3.34Å; G44-T48 PolarHBondContact O-N 3.44Å; G44-T48 VanDerWaalsContact O-N 3.08Å; G44-T48 PolarHBondContact O-OG1 3Å; G44-V141 WeakPolarHBondContact CA-O 3.24Å
45	L	98.8	Very high	98.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60.1	-47.8	174.5	-61.4	172.1	0	0	0	111.9	V7 F41 R42 T48 L49 L107 G144 A147 L148	V7-L45 HydrophobicContact CG1-CD1 3.89Å; V7-L45 HydrophobicContact CG1-CD2 4.04Å; V7-L45 HydrophobicContact CG2-CD2 3.92Å; F41-L45 HydrophobicContact CD1-CD1 4.19Å; F41-L45 HydrophobicContact CE1-CD1 3.61Å; F41-L45 HydrophobicContact CE1-CG 4.26Å; F41-L45 HydrophobicContact CZ-CD1 4.06Å; F41-L45 HydrophobicContact CZ-CD2 4.34Å; F41-L45 HydrophobicContact CZ-CG 4.35Å; F41-L45 PolarHBondContact O-N 2.91Å; F41-L45 VanDerWaalsContact O-N 3.14Å; R42-L45 WeakPolarHBondContact O-CB 3.28Å; R42-L45 PolarHBondContact O-N 2.96Å; L45-T48 WeakPolarHBondContact O-CB 3.46Å; L45-T48 PolarHBondContact O-N 2.89Å; L45-L49 PolarHBondContact O-N 2.98Å; L45-L107 HydrophobicContact CB-CD2 4.02Å; L45-L107 HydrophobicContact CD1-CD1 4Å; L45-L107 HydrophobicContact CD1-CD2 4.2Å; L45-G144 WeakPolarHBondContact CD2-O 3.39Å; L45-A147 HydrophobicContact CD2-CB 4.41Å; L45-L148 HydrophobicContact CD2-CB 3.86Å; L45-L148 HydrophobicContact CD2-CD2 4.39Å
46	L	98.8	Very high	98.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.9	-39.6	-179	-174.9	61	0	0	0	112.2	R42 M43 T48 L49 R50 L76 W88 A92 L95 V110	R42-L46 PolarHBondContact O-N 3.47Å; M43-L46 HydrophobicContact CE-CD2 4.29Å; M43-L46 PolarHBondContact O-N 3.28Å; M43-L46 HydrophobicContact SD-CD2 4.23Å; L46-T48 VanDerWaalsContact C-N 3.3Å; L46-T48 PolarHBondContact O-N 2.81Å; L46-L49 PolarHBondContact O-N 2.88Å; L46-R50 WeakPolarHBondContact O-CB 3.43Å; L46-R50 PolarHBondContact O-N 3.38Å; L46-L76 HydrophobicContact CD2-CD1 3.93Å; L46-L76 HydrophobicContact CG-CD1 4.25Å; L46-W88 HydrophobicContact CD1-CE3 3.65Å; L46-W88 HydrophobicContact CD1-CZ3 3.51Å; L46-W88 HydrophobicContact CG-CE3 4.11Å; L46-W88 HydrophobicContact CG-CZ3 4.2Å; L46-A92 VanDerWaalsContact CD2-CA 3.42Å; L46-A92 HydrophobicContact CD2-CB 3.55Å; L46-L95 HydrophobicContact CB-CD1 3.86Å; L46-L95 HydrophobicContact CD1-CD1 3.83Å; L46-L95 HydrophobicContact CD2-CD1 4.38Å; L46-L95 HydrophobicContact CG-CD1 4.24Å; L46-V110 HydrophobicContact CD1-CG1 4.36Å
47	A	98.8	Very high	98.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.4	-40.1	175.2	0	0	0	0	0	111.4	M43 G44 R50 S51 I58 V60 L76 V124	M43-A47 VanDerWaalsContact O-CB 3.27Å; M43-A47 WeakPolarHBondContact O-CB 3.34Å; M43-A47 PolarHBondContact O-N 3.27Å; G44-A47 PolarHBondContact O-N 3.34Å; A47-R50 PolarHBondContact O-N 2.96Å; A47-S51 WeakPolarHBondContact O-CB 3.45Å; A47-S51 PolarHBondContact O-N 3.05Å; A47-I58 HydrophobicContact CB-CG2 4.07Å; A47-V60 HydrophobicContact CB-CG2 3.57Å; A47-L76 HydrophobicContact CB-CD2 4.15Å; A47-V124 HydrophobicContact CB-CG1 4.07Å; A47-V124 HydrophobicContact CB-CG2 4.15Å
48	T	98.9	Very high	98.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-61.2	-47	173	-65.5	0	0	0	0	111.4	G44 L45 L46 R50 S51 K52 A122 V145 L148	G44-T48 PolarHBondContact O-N 3.44Å; G44-T48 VanDerWaalsContact O-N 3.08Å; G44-T48 PolarHBondContact O-OG1 3Å; L45-T48 WeakPolarHBondContact O-CB 3.46Å; L45-T48 PolarHBondContact O-N 2.89Å; L46-T48 VanDerWaalsContact C-N 3.3Å; L46-T48 PolarHBondContact O-N 2.81Å; T48-R50 VanDerWaalsContact C-N 3.33Å; T48-R50 PolarHBondContact O-N 2.65Å; T48-S51 PolarHBondContact O-N 3.42Å; T48-K52 WeakPolarHBondContact O-CG 3.49Å; T48-K52 PolarHBondContact O-N 3.48Å; T48-A122 HydrophobicContact CG2-CB 3.72Å; T48-V145 WeakPolarHBondContact OG1-CA 3.49Å; T48-L148 HydrophobicContact CG2-CB 3.94Å; T48-L148 HydrophobicContact CG2-CD2 3.92Å; T48-L148 HydrophobicContact CG2-CG 4Å
49	L	98.7	Very high	98.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-61	-41.7	175.3	-70.1	-176.1	0	0	0	112.2	L45 L46 S51 K52 K53 W88 L107 V110 I111 I116 M118 L148	L45-L49 PolarHBondContact O-N 2.98Å; L46-L49 PolarHBondContact O-N 2.88Å; L49-S51 VanDerWaalsContact C-N 3.34Å; L49-S51 PolarHBondContact O-N 3.02Å; L49-K52 PolarHBondContact O-N 2.89Å; L49-K53 PolarHBondContact O-N 3.29Å; L49-W88 HydrophobicContact CB-CH2 4.44Å; L49-W88 HydrophobicContact CB-CZ3 4.42Å; L49-L107 HydrophobicContact CD1-CD2 4.05Å; L49-V110 HydrophobicContact CD1-CB 4.2Å; L49-V110 HydrophobicContact CD1-CG1 3.95Å; L49-I111 HydrophobicContact CD1-CG1 4.11Å; L49-I111 HydrophobicContact CD2-CD1 4.01Å; L49-I111 HydrophobicContact CD2-CG1 3.63Å; L49-I116 HydrophobicContact CB-CD1 3.87Å; L49-I116 HydrophobicContact CD2-CD1 4.25Å; L49-I116 HydrophobicContact CD2-CG2 4.47Å; L49-I116 HydrophobicContact CG-CD1 4.46Å; L49-M118 HydrophobicContact CD2-CE 4.33Å; L49-M118 HydrophobicContact CD2-SD 3.91Å; L49-L148 HydrophobicContact CD2-CD2 3.65Å; L49-L148 HydrophobicContact CG-CD2 3.74Å
50	R	98.6	Very high	98.7	Very high	28 Å²	28	17.1 Å²	17.1	11%	0.106	8%	0.081	C	C	.	.	H	α-helix	trans	-60.7	-45.3	177.1	-174.1	59.6	174.1	172	-1.5	111	L46 A47 T48 K52 K53 T54 I58 D78 W88	L46-R50 WeakPolarHBondContact O-CB 3.43Å; L46-R50 PolarHBondContact O-N 3.38Å; A47-R50 PolarHBondContact O-N 2.96Å; T48-R50 VanDerWaalsContact C-N 3.33Å; T48-R50 PolarHBondContact O-N 2.65Å; R50-K52 PolarHBondContact O-N 3.43Å; R50-K53 WeakPolarHBondContact O-CB 3.26Å; R50-K53 PolarHBondContact O-N 3.02Å; R50-K53 VanDerWaalsContact O-N 3.16Å; R50-T54 HydrophobicContact CG-CG2 4.39Å; R50-T54 WeakPolarHBondContact O-CG2 3.45Å; R50-T54 PolarHBondContact O-N 3.16Å; R50-T54 PolarHBondContact O-OG1 3.08Å; R50-I58 HydrophobicContact CB-CD1 4.36Å; R50-I58 HydrophobicContact CB-CG1 4.06Å; R50-I58 HydrophobicContact CB-CG2 4.48Å; R50-I58 HydrophobicContact CG-CD1 3.58Å; R50-I58 HydrophobicContact CG-CG1 3.83Å; R50-I58 HydrophobicContact CG-CG2 4.42Å; R50-D78 IonicContact CZ-OD1 2.94Å; R50-D78 IonicContact CZ-OD2 3.37Å; R50-D78 IonicContact NE-OD1 3.18Å; R50-D78 PolarHBondContact NE-OD1 2.97Å; R50-D78 IonicContact NE-OD2 2.75Å; R50-D78 VanDerWaalsContact NH2-CG 3.32Å; R50-D78 IonicContact NH2-OD1 3.31Å; R50-D78 PolarHBondContact NH2-OD1 3.29Å; R50-D78 IonicContact NH2-OD2 3.36Å; R50-D78 PolarHBondContact NH2-OD2 3.44Å; R50-W88 VanDerWaalsContact CA-CH2 3.4Å; R50-W88 VanDerWaalsContact CA-CZ3 3.43Å; R50-W88 HydrophobicContact CB-CE3 3.92Å; R50-W88 HydrophobicContact CB-CH2 3.9Å; R50-W88 HydrophobicContact CB-CZ3 3.42Å; R50-W88 VanDerWaalsContact CB-CZ3 3.42Å; R50-W88 HydrophobicContact CG-CE3 4.19Å; R50-W88 HydrophobicContact CG-CH2 4.41Å; R50-W88 HydrophobicContact CG-CZ3 4.08Å
51	S	98.8	Very high	98.7	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.014	8%	0.081	C	C	.	.	H	α-helix	trans	-61.7	-43	177.8	-178.7	0	0	0	0	112	A47 T48 L49 K53 T54 K55 A56 A122 S123	A47-S51 WeakPolarHBondContact O-CB 3.45Å; A47-S51 PolarHBondContact O-N 3.05Å; T48-S51 PolarHBondContact O-N 3.42Å; L49-S51 VanDerWaalsContact C-N 3.34Å; L49-S51 PolarHBondContact O-N 3.02Å; S51-K53 VanDerWaalsContact C-N 3.33Å; S51-K53 PolarHBondContact O-N 2.89Å; S51-T54 PolarHBondContact O-N 2.96Å; S51-K55 WeakPolarHBondContact O-CA 3.36Å; S51-K55 PolarHBondContact O-N 2.95Å; S51-A56 WeakPolarHBondContact CA-O 3.45Å; S51-A56 WeakPolarHBondContact CB-O 3.36Å; S51-A56 PolarHBondContact O-N 3.36Å; S51-A56 PolarHBondContact OG-O 2.95Å; S51-A122 WeakPolarHBondContact OG-CA 3.46Å; S51-S123 PolarHBondContact OG-N 2.93Å; S51-S123 PolarHBondContact OG-O 2.84Å
52	K	98.6	Very high	98.7	Very high	16 Å²	16	17.1 Å²	17.1	7%	0.07	8%	0.081	C	C	.	.	H	α-helix	trans	-61.2	-40.7	173.7	-65.3	-176.7	-174.9	-81.7	0	112	T48 L49 R50 I116 M118 Q120 A122	T48-K52 WeakPolarHBondContact O-CG 3.49Å; T48-K52 PolarHBondContact O-N 3.48Å; L49-K52 PolarHBondContact O-N 2.89Å; R50-K52 PolarHBondContact O-N 3.43Å; K52-I116 HydrophobicContact CB-CG2 3.59Å; K52-I116 HydrophobicContact CD-CG2 4.42Å; K52-M118 HydrophobicContact CD-CE 4.42Å; K52-M118 HydrophobicContact CD-SD 4.17Å; K52-M118 PolarHBondContact NZ-O 3.5Å; K52-M118 VanDerWaalsContact NZ-O 3.08Å; K52-Q120 HydrophobicContact CB-CB 4.17Å; K52-Q120 HydrophobicContact CB-CG 4.36Å; K52-Q120 HydrophobicContact CG-CB 4.39Å; K52-Q120 WeakPolarHBondContact CG-O 3.47Å; K52-Q120 PolarHBondContact NZ-O 3.2Å; K52-Q120 WeakPolarHBondContact O-CG 3.28Å; K52-A122 HydrophobicContact CG-CB 3.85Å
53	K	98.4	Very high	98.7	Very high	87 Å²	87	17 Å²	17	38%	0.378	8%	0.081	S	C	.	.	H	α-helix	trans	-66.6	-46.3	179.1	175.8	59.7	173.1	-176.1	0	112.3	L49 R50 S51 W88 E114 I116	L49-K53 PolarHBondContact O-N 3.29Å; R50-K53 WeakPolarHBondContact O-CB 3.26Å; R50-K53 PolarHBondContact O-N 3.02Å; R50-K53 VanDerWaalsContact O-N 3.16Å; S51-K53 VanDerWaalsContact C-N 3.33Å; S51-K53 PolarHBondContact O-N 2.89Å; K53-W88 HydrophobicContact CB-CH2 4.2Å; K53-W88 HydrophobicContact CB-CZ2 4.05Å; K53-W88 HydrophobicContact CG-CZ2 3.98Å; K53-E114 HydrophobicContact CD-CB 4.42Å; K53-E114 WeakPolarHBondContact CD-O 3.42Å; K53-E114 WeakPolarHBondContact CE-O 3.3Å; K53-E114 PolarHBondContact NZ-O 3.24Å; K53-I116 HydrophobicContact CB-CD1 4.4Å; K53-I116 HydrophobicContact CB-CG1 4.27Å
54	T	98.1	Very high	98.6	Very high	43 Å²	43	17 Å²	17	26%	0.264	8%	0.081	S	C	.	.	H	α-helix	trans	-85.5	-14.2	-174.9	58.7	0	0	0	0	113.2	R50 S51 A56 P79	R50-T54 HydrophobicContact CG-CG2 4.39Å; R50-T54 WeakPolarHBondContact O-CG2 3.45Å; R50-T54 PolarHBondContact O-N 3.16Å; R50-T54 PolarHBondContact O-OG1 3.08Å; S51-T54 PolarHBondContact O-N 2.96Å; T54-A56 PolarHBondContact O-N 3.4Å; T54-P79 HydrophobicContact CG2-CG 4.14Å
55	K	98.1	Very high	98.4	Very high	157 Å²	157	17 Å²	17	68%	0.683	8%	0.081	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	37.7	-172.8	-51.3	179	-179.4	178	0	111.8	S51 Q120	S51-K55 WeakPolarHBondContact O-CA 3.36Å; S51-K55 PolarHBondContact O-N 2.95Å; K55-Q120 HydrophobicContact CG-CG 4.19Å
56	A	98.4	Very high	98.2	Very high	17 Å²	17	19 Å²	19	14%	0.14	9%	0.09	C	C	.	.	S	Bend	trans	-144.5	161.1	-172.2	0	0	0	0	0	110.8	S51 T54 P79 N171	S51-A56 WeakPolarHBondContact CA-O 3.45Å; S51-A56 WeakPolarHBondContact CB-O 3.36Å; S51-A56 PolarHBondContact O-N 3.36Å; S51-A56 PolarHBondContact OG-O 2.95Å; T54-A56 PolarHBondContact O-N 3.4Å; A56-P79 HydrophobicContact CB-CB 3.73Å; A56-P79 HydrophobicContact CB-CG 3.62Å; A56-N171 WeakPolarHBondContact CB-OD1 3.39Å
57	T	98.8	Very high	98	Very high	7 Å²	7	20.1 Å²	20.1	4%	0.043	10%	0.096	C	C	.	.			trans	-69.5	135	173.4	-63.2	0	0	0	0	110.3	S123 F125 Q170 N171	T57-S123 VanDerWaalsContact CA-O 3.29Å; T57-S123 WeakPolarHBondContact CA-O 3.46Å; T57-S123 WeakPolarHBondContact OG1-CB 3.33Å; T57-S123 PolarHBondContact OG1-OG 3.29Å; T57-S123 VanDerWaalsContact OG1-OG 3.08Å; T57-F125 HydrophobicContact CG2-CB 4.3Å; T57-F125 HydrophobicContact CG2-CD1 3.51Å; T57-F125 HydrophobicContact CG2-CD2 3.77Å; T57-F125 HydrophobicContact CG2-CE1 3.71Å; T57-F125 HydrophobicContact CG2-CE2 3.97Å; T57-F125 HydrophobicContact CG2-CG 3.56Å; T57-F125 HydrophobicContact CG2-CZ 3.94Å; T57-Q170 HydrophobicContact CG2-CG 4.24Å; T57-Q170 WeakPolarHBondContact OG1-CG 3.31Å; T57-N171 PolarHBondContact N-OD1 3.35Å; T57-N171 PolarHBondContact O-ND2 3.46Å
58	I	98.8	Very high	97.8	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	143.2	177.7	-61.8	-60.3	0	0	0	109.4	A47 R50 V77 P79 S123 V124 F125	A47-I58 HydrophobicContact CB-CG2 4.07Å; R50-I58 HydrophobicContact CB-CD1 4.36Å; R50-I58 HydrophobicContact CB-CG1 4.06Å; R50-I58 HydrophobicContact CB-CG2 4.48Å; R50-I58 HydrophobicContact CG-CD1 3.58Å; R50-I58 HydrophobicContact CG-CG1 3.83Å; R50-I58 HydrophobicContact CG-CG2 4.42Å; I58-V77 WeakPolarHBondContact CG2-O 3.45Å; I58-P79 HydrophobicContact CD1-CG 3.92Å; I58-S123 PolarHBondContact N-O 2.95Å; I58-V124 CarbonylContact O-C 3.26Å; I58-V124 VanDerWaalsContact O-CA 3.26Å; I58-V124 WeakPolarHBondContact O-CA 3.39Å; I58-F125 PolarHBondContact O-N 2.99Å
59	G	98.8	Very high	97.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	148.6	175.4	0	0	0	0	0	112.9	V77 F125	G59-V77 PolarHBondContact N-O 3Å; G59-V77 PolarHBondContact O-N 2.74Å; G59-F125 CarbonylContact C-O 3.56Å; G59-F125 VanDerWaalsContact CA-O 3.29Å; G59-F125 WeakPolarHBondContact CA-O 3.27Å
60	V	98.9	Very high	97.6	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	111.7	168.3	-172.2	0	0	0	0	108.7	A47 V74 K75 L76 V124 F125 V126 G127 V141 L163	A47-V60 HydrophobicContact CB-CG2 3.57Å; V60-V74 HydrophobicContact CG1-CG2 3.38Å; V60-K75 WeakPolarHBondContact CA-O 3.32Å; V60-L76 HydrophobicContact CB-CD2 4.48Å; V60-L76 HydrophobicContact CG1-CD2 4.24Å; V60-L76 HydrophobicContact CG2-CD2 3.8Å; V60-V124 HydrophobicContact CG2-CG1 3.68Å; V60-F125 PolarHBondContact N-O 2.85Å; V60-V126 HydrophobicContact CB-CG2 4.46Å; V60-V126 WeakPolarHBondContact O-CA 3.24Å; V60-G127 PolarHBondContact O-N 3.34Å; V60-G127 VanDerWaalsContact O-N 3.08Å; V60-V141 HydrophobicContact CB-CG1 3.94Å; V60-V141 HydrophobicContact CG1-CB 4.49Å; V60-V141 HydrophobicContact CG1-CG1 3.68Å; V60-V141 HydrophobicContact CG1-CG2 3.96Å; V60-V141 HydrophobicContact CG2-CG1 4.1Å; V60-L163 VanDerWaalsContact C-CD2 3.46Å; V60-L163 WeakPolarHBondContact O-CD2 3.5Å
61	M	98.8	Very high	97.5	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	121.5	177.9	-171.4	61.6	-166.7	0	0	110.2	T63 V74 K75 V158 T160 L163	M61-T63 HydrophobicContact CE-CG2 4.24Å; M61-T63 HydrophobicContact CG-CG2 3.69Å; M61-V74 VanDerWaalsContact O-CA 3.32Å; M61-V74 WeakPolarHBondContact O-CA 3.35Å; M61-K75 HydrophobicContact CB-CB 4.28Å; M61-K75 PolarHBondContact N-O 2.68Å; M61-K75 PolarHBondContact O-N 3.02Å; M61-V158 WeakPolarHBondContact CE-O 3.18Å; M61-V158 HydrophobicContact SD-CG2 4.4Å; M61-T160 WeakPolarHBondContact CG-OG1 3.38Å; M61-L163 HydrophobicContact CB-CD2 3.67Å; M61-L163 HydrophobicContact CG-CD2 4.36Å; M61-L163 HydrophobicContact SD-CB 4.15Å; M61-L163 HydrophobicContact SD-CD2 3.93Å
62	V	98.9	Very high	97.5	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	103.4	174.4	-179.2	0	0	0	0	109.2	M40 G73 G127 K128 D129 L137 V141	M40-V62 HydrophobicContact CE-CG1 4.22Å; V62-G73 CarbonylContact C-O 3.45Å; V62-G73 WeakPolarHBondContact CA-O 3.27Å; V62-G127 PolarHBondContact N-O 3.5Å; V62-K128 HydrophobicContact CB-CB 3.94Å; V62-K128 WeakPolarHBondContact O-CA 3.14Å; V62-D129 PolarHBondContact O-N 3.03Å; V62-D129 VanDerWaalsContact O-N 3.09Å; V62-L137 HydrophobicContact CG1-CB 3.98Å; V62-V141 HydrophobicContact CG2-CG2 4.15Å
63	T	98.6	Very high	97.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.146	C	C	.	.			trans	-169.1	154.3	179.4	-176	0	0	0	0	111.6	M61 S65 N72 G73 K75 D129 D279	M61-T63 HydrophobicContact CE-CG2 4.24Å; M61-T63 HydrophobicContact CG-CG2 3.69Å; T63-S65 PolarHBondContact OG1-N 2.88Å; T63-N72 WeakPolarHBondContact CA-OD1 3.44Å; T63-N72 PolarHBondContact N-OD1 2.98Å; T63-G73 PolarHBondContact N-O 3.1Å; T63-G73 CarbonylContact O-C 3.48Å; T63-G73 VanDerWaalsContact O-C 3.26Å; T63-G73 VanDerWaalsContact O-CA 3.25Å; T63-G73 WeakPolarHBondContact O-CA 3.5Å; T63-G73 PolarHBondContact O-N 3.01Å; T63-K75 HydrophobicContact CG2-CD 4.28Å; T63-D129 WeakPolarHBondContact CA-OD2 3.47Å; T63-D129 VanDerWaalsContact CB-OD2 3.26Å; T63-D129 WeakPolarHBondContact CB-OD2 3.3Å; T63-D129 PolarHBondContact OG1-OD2 3.41Å; T63-D279 HydrophobicContact CG2-CB 4.23Å; T63-D279 WeakPolarHBondContact CG2-OD2 3.4Å; T63-D279 WeakPolarHBondContact OG1-CB 3.39Å
64	A	96.8	Very high	97.4	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.			trans	-112.6	18	161.6	0	0	0	0	0	114.5	R30 H66 N67 D71	R30-A64 HydrophobicContact CG-CB 4.47Å; R30-A64 PolarHBondContact NH1-O 2.82Å; A64-H66 PolarHBondContact O-N 2.87Å; A64-N67 HydrophobicContact CB-CB 3.68Å; A64-N67 VanDerWaalsContact O-CB 3.31Å; A64-N67 WeakPolarHBondContact O-CB 3.22Å; A64-N67 PolarHBondContact O-N 2.91Å; A64-N67 PolarHBondContact O-OD1 2.81Å; A64-D71 HydrophobicContact CB-CB 4.25Å
65	S	95.5	Very high	97.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	-125.8	172	164.7	0	0	0	0	111.1	T63 N67 R131 N247 D277 D279	T63-S65 PolarHBondContact OG1-N 2.88Å; S65-N67 PolarHBondContact O-N 2.94Å; S65-R131 PolarHBondContact O-NH2 3.27Å; S65-N247 PolarHBondContact O-ND2 3.5Å; S65-D277 PolarHBondContact OG-OD2 3.09Å; S65-D279 WeakPolarHBondContact CA-OD1 3.39Å; S65-D279 VanDerWaalsContact CB-CG 3.5Å; S65-D279 WeakPolarHBondContact CB-OD1 3.32Å; S65-D279 PolarHBondContact OG-OD1 3.24Å; S65-D279 VanDerWaalsContact OG-OD1 3.12Å
66	H	94.6	Very high	97.4	Very high	41 Å²	41	15.8 Å²	15.8	19%	0.19	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-8.5	178.5	69.5	-72.6	0	0	0	116.4	A64 N247 D253 R282	A64-H66 PolarHBondContact O-N 2.87Å; H66-N247 VanDerWaalsContact C-ND2 3.29Å; H66-N247 WeakPolarHBondContact CA-ND2 3.07Å; H66-N247 PolarHBondContact O-ND2 3.27Å; H66-D253 HydrophobicContact CB-CB 3.79Å; H66-D253 IonicContact CD2-OD1 2.91Å; H66-R282 PolarHBondContact ND1-NH1 2.84Å; H66-R282 PolarHBondContact ND1-NH2 2.85Å
67	N	94	Very high	97.4	Very high	24 Å²	24	15 Å²	15	13%	0.128	8%	0.078	C	C	.	.	S	Bend	trans	-62	158.4	-179.6	-79.9	78.1	0	0	0	112.5	R30 A64 S65 D71 R131 N247	R30-N67 PolarHBondContact NH1-OD1 3.31Å; A64-N67 HydrophobicContact CB-CB 3.68Å; A64-N67 VanDerWaalsContact O-CB 3.31Å; A64-N67 WeakPolarHBondContact O-CB 3.22Å; A64-N67 PolarHBondContact O-N 2.91Å; A64-N67 PolarHBondContact O-OD1 2.81Å; S65-N67 PolarHBondContact O-N 2.94Å; N67-D71 HydrophobicContact CB-CB 3.97Å; N67-D71 PolarHBondContact ND2-OD2 2.86Å; N67-R131 PolarHBondContact O-NH2 3.23Å; N67-N247 PolarHBondContact O-ND2 3.16Å
68	P	94.8	Very high	97.3	Very high	63 Å²	63	14.7 Å²	14.7	41%	0.409	8%	0.076	S	C	.	.			trans	-54.2	149.5	170.6	-24.8	35	0	0	0	112.9	E70 D71 R131	P68-E70 HydrophobicContact CB-CG 4.26Å; P68-E70 PolarHBondContact O-N 3.36Å; P68-E70 VanDerWaalsContact O-N 3.13Å; P68-D71 WeakPolarHBondContact O-CB 3.33Å; P68-D71 PolarHBondContact O-N 3.07Å; P68-R131 PolarHBondContact O-NH1 2.81Å
69	E	95.9	Very high	97.3	Very high	59 Å²	59	15.3 Å²	15.3	28%	0.276	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-34.1	-175.1	-172.4	178.7	-102.7	0	0	115.2	D71 R131 P132 K245 L246	E69-D71 PolarHBondContact O-N 3.06Å; E69-R131 PolarHBondContact O-NH1 3.1Å; E69-P132 HydrophobicContact CG-CG 4.29Å; E69-K245 HydrophobicContact CB-CD 4.44Å; E69-K245 HydrophobicContact CB-CG 4.17Å; E69-K245 VanDerWaalsContact OE2-CE 3.29Å; E69-K245 WeakPolarHBondContact OE2-CE 3.43Å; E69-L246 HydrophobicContact CB-CB 4.25Å; E69-L246 HydrophobicContact CG-CB 4.35Å
70	E	97.2	Very high	97.2	Very high	85 Å²	85	19.8 Å²	19.8	40%	0.397	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-21.4	179.8	54.7	-94.4	-146.7	0	0	114.5	S33 P68 K245	S33-E70 WeakPolarHBondContact CB-O 3.35Å; S33-E70 PolarHBondContact N-O 3.31Å; S33-E70 PolarHBondContact OG-O 3.18Å; P68-E70 HydrophobicContact CB-CG 4.26Å; P68-E70 PolarHBondContact O-N 3.36Å; P68-E70 VanDerWaalsContact O-N 3.13Å; E70-K245 IonicContact OE2-NZ 3.33Å; E70-K245 PolarHBondContact OE2-NZ 3.33Å
71	D	96.6	Very high	97	Very high	29 Å²	29	19.8 Å²	19.8	16%	0.155	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	162.5	172.9	-67.8	-18.1	0	0	0	111	T31 N32 A64 N67 P68 E69 R131	T31-D71 WeakPolarHBondContact O-CA 3.5Å; T31-D71 WeakPolarHBondContact O-CB 3.26Å; N32-D71 WeakPolarHBondContact CA-OD1 3.42Å; N32-D71 PolarHBondContact N-OD1 2.89Å; A64-D71 HydrophobicContact CB-CB 4.25Å; N67-D71 HydrophobicContact CB-CB 3.97Å; N67-D71 PolarHBondContact ND2-OD2 2.86Å; P68-D71 WeakPolarHBondContact O-CB 3.33Å; P68-D71 PolarHBondContact O-N 3.07Å; E69-D71 PolarHBondContact O-N 3.06Å; D71-R131 WeakPolarHBondContact O-CD 3.28Å; D71-R131 PolarHBondContact O-NH1 3.27Å
72	N	98.3	Very high	96.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	-174.5	161.6	-149.1	-32.9	0	0	0	108.7	R30 T31 L36 T63 S133 S134 L137	R30-N72 WeakPolarHBondContact CA-O 3.33Å; T31-N72 PolarHBondContact N-O 3.32Å; T31-N72 PolarHBondContact O-N 3.47Å; L36-N72 HydrophobicContact CD1-CB 3.95Å; L36-N72 WeakPolarHBondContact CD1-O 3.48Å; T63-N72 WeakPolarHBondContact CA-OD1 3.44Å; T63-N72 PolarHBondContact N-OD1 2.98Å; N72-S133 PolarHBondContact ND2-OG 3.15Å; N72-S134 PolarHBondContact ND2-OG 2.84Å; N72-L137 HydrophobicContact CB-CD1 3.57Å
73	G	97.8	Very high	96.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.7	176.8	-177.8	0	0	0	0	0	113.2	F29 M40 V62 T63	F29-G73 CarbonylContact O-C 3.38Å; F29-G73 WeakPolarHBondContact O-CA 3.34Å; M40-G73 VanDerWaalsContact CE-O 3.31Å; M40-G73 WeakPolarHBondContact CE-O 3.34Å; V62-G73 CarbonylContact C-O 3.45Å; V62-G73 WeakPolarHBondContact CA-O 3.27Å; T63-G73 PolarHBondContact N-O 3.1Å; T63-G73 CarbonylContact O-C 3.48Å; T63-G73 VanDerWaalsContact O-C 3.26Å; T63-G73 VanDerWaalsContact O-CA 3.25Å; T63-G73 WeakPolarHBondContact O-CA 3.5Å; T63-G73 PolarHBondContact O-N 3.01Å
74	V	98.4	Very high	96.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	128.3	178.9	55.1	0	0	0	0	111.3	G28 F29 V39 M40 M43 V60 M61	G28-V74 VanDerWaalsContact CA-O 3.31Å; G28-V74 WeakPolarHBondContact CA-O 3.31Å; F29-V74 HydrophobicContact CB-CG1 4.09Å; F29-V74 HydrophobicContact CD2-CG1 4.19Å; F29-V74 PolarHBondContact N-O 3.08Å; F29-V74 PolarHBondContact O-N 3.35Å; V39-V74 HydrophobicContact CG1-CG1 4.17Å; M40-V74 HydrophobicContact CE-CB 4.03Å; M40-V74 HydrophobicContact CE-CG1 4.29Å; M40-V74 HydrophobicContact SD-CB 3.55Å; M40-V74 VanDerWaalsContact SD-CB 3.55Å; M40-V74 HydrophobicContact SD-CG1 3.8Å; M40-V74 HydrophobicContact SD-CG2 4.2Å; M43-V74 HydrophobicContact CB-CG1 4.35Å; M43-V74 HydrophobicContact CB-CG2 4.09Å; M43-V74 HydrophobicContact CG-CG1 3.71Å; M43-V74 HydrophobicContact CG-CG2 4.24Å; V60-V74 HydrophobicContact CG1-CG2 3.38Å; M61-V74 VanDerWaalsContact O-CA 3.32Å; M61-V74 WeakPolarHBondContact O-CA 3.35Å
75	K	96.5	Very high	96	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.017	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	133.8	173.9	-57.5	168	-179.9	173.4	0	109.1	A27 V60 M61 T63 M83 T160 D279 D281	A27-K75 WeakPolarHBondContact O-CG 3.31Å; V60-K75 WeakPolarHBondContact CA-O 3.32Å; M61-K75 HydrophobicContact CB-CB 4.28Å; M61-K75 PolarHBondContact N-O 2.68Å; M61-K75 PolarHBondContact O-N 3.02Å; T63-K75 HydrophobicContact CG2-CD 4.28Å; K75-M83 HydrophobicContact CB-CE 4.36Å; K75-M83 HydrophobicContact CG-CE 4.4Å; K75-T160 HydrophobicContact CD-CG2 4.47Å; K75-D279 IonicContact NZ-OD2 3.75Å; K75-D279 PolarHBondContact NZ-OD2 3.24Å; K75-D281 IonicContact NZ-OD2 2.99Å; K75-D281 PolarHBondContact NZ-OD2 3.03Å
76	L	98.3	Very high	95.7	Very high	2 Å²	2	31 Å²	31	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	136.8	168.8	-59.9	-177	0	0	0	110.8	Y24 M43 L46 A47 V60 V84	Y24-L76 PolarHBondContact OH-N 3.18Å; Y24-L76 VanDerWaalsContact OH-N 3.12Å; M43-L76 HydrophobicContact CB-CD2 4.4Å; M43-L76 HydrophobicContact SD-CD1 4.31Å; L46-L76 HydrophobicContact CD2-CD1 3.93Å; L46-L76 HydrophobicContact CG-CD1 4.25Å; A47-L76 HydrophobicContact CB-CD2 4.15Å; V60-L76 HydrophobicContact CB-CD2 4.48Å; V60-L76 HydrophobicContact CG1-CD2 4.24Å; V60-L76 HydrophobicContact CG2-CD2 3.8Å; L76-V84 HydrophobicContact CB-CB 3.94Å; L76-V84 HydrophobicContact CB-CG1 4.13Å; L76-V84 HydrophobicContact CB-CG2 4.42Å; L76-V84 PolarHBondContact O-N 2.66Å
77	V	98.3	Very high	95.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	121.8	-177.4	-170.7	0	0	0	0	109.6	I58 G59 E82 L163 H164 V167	I58-V77 WeakPolarHBondContact CG2-O 3.45Å; G59-V77 PolarHBondContact N-O 3Å; G59-V77 PolarHBondContact O-N 2.74Å; V77-E82 CarbonylContact C-O 3.48Å; V77-E82 WeakPolarHBondContact CA-O 3.38Å; V77-L163 HydrophobicContact CG2-CD2 4.47Å; V77-H164 HydrophobicContact CG1-CB 4.41Å; V77-H164 VanDerWaalsContact CG2-NE2 3.32Å; V77-H164 WeakPolarHBondContact CG2-NE2 3.48Å; V77-V167 HydrophobicContact CG1-CB 4.43Å; V77-V167 HydrophobicContact CG1-CG1 4.33Å; V77-V167 HydrophobicContact CG1-CG2 4.49Å
78	D	97.8	Very high	95.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.174	C	C	.	.			trans	-81.6	171.3	-179.6	-100.1	-15.8	0	0	0	112	R50 M80 G81 E82 V84 T85 V167	R50-D78 IonicContact CZ-OD1 2.94Å; R50-D78 IonicContact CZ-OD2 3.37Å; R50-D78 IonicContact NE-OD1 3.18Å; R50-D78 PolarHBondContact NE-OD1 2.97Å; R50-D78 IonicContact NE-OD2 2.75Å; R50-D78 VanDerWaalsContact NH2-CG 3.32Å; R50-D78 IonicContact NH2-OD1 3.31Å; R50-D78 PolarHBondContact NH2-OD1 3.29Å; R50-D78 IonicContact NH2-OD2 3.36Å; R50-D78 PolarHBondContact NH2-OD2 3.44Å; D78-M80 PolarHBondContact O-N 2.79Å; D78-M80 VanDerWaalsContact O-N 3.16Å; D78-G81 PolarHBondContact O-N 3.49Å; D78-E82 VanDerWaalsContact CB-CD 3.42Å; D78-E82 HydrophobicContact CB-CG 3.72Å; D78-E82 WeakPolarHBondContact CB-OE1 3.38Å; D78-E82 PolarHBondContact N-O 3.4Å; D78-V84 WeakPolarHBondContact OD2-CA 3.32Å; D78-T85 PolarHBondContact OD2-N 2.9Å; D78-V167 WeakPolarHBondContact O-CG1 3.24Å
79	P	98.4	Very high	95.8	Very high	14 Å²	14	29.6 Å²	29.6	9%	0.091	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-34.7	-161.6	-32.1	38.9	0	0	0	117.1	T54 A56 I58 G81 N171	T54-P79 HydrophobicContact CG2-CG 4.14Å; A56-P79 HydrophobicContact CB-CB 3.73Å; A56-P79 HydrophobicContact CB-CG 3.62Å; I58-P79 HydrophobicContact CD1-CG 3.92Å; P79-G81 PolarHBondContact O-N 3.1Å; P79-N171 VanDerWaalsContact CA-ND2 3.28Å; P79-N171 WeakPolarHBondContact CA-ND2 3.42Å; P79-N171 HydrophobicContact CB-CB 4.39Å; P79-N171 VanDerWaalsContact O-CB 3.32Å; P79-N171 WeakPolarHBondContact O-CB 3.26Å; P79-N171 PolarHBondContact O-ND2 3.23Å
80	M	96.6	Very high	95.8	Very high	95 Å²	95	31.1 Å²	31.1	47%	0.468	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	12.5	179.3	-57.6	-65.9	108.1	0	0	112.2	D78 E82 C168 N171 T172	D78-M80 PolarHBondContact O-N 2.79Å; D78-M80 VanDerWaalsContact O-N 3.16Å; M80-E82 VanDerWaalsContact C-N 3.34Å; M80-E82 WeakPolarHBondContact CA-OE2 3.2Å; M80-E82 WeakPolarHBondContact CB-OE2 3.48Å; M80-E82 PolarHBondContact N-OE2 3.39Å; M80-C168 WeakPolarHBondContact O-CB 3.32Å; M80-C168 PolarHBondContact O-SG 3.45Å; M80-N171 HydrophobicContact CE-CB 3.78Å; M80-T172 HydrophobicContact SD-CG2 4.13Å
81	G	95.4	Very high	95.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	83.6	9.4	-177.2	0	0	0	0	0	113.1	D78 P79 H164 T418	D78-G81 PolarHBondContact O-N 3.49Å; P79-G81 PolarHBondContact O-N 3.1Å; G81-H164 PolarHBondContact O-ND1 3.47Å; G81-T418 VanDerWaalsContact O-O 3.1Å
82	E	92.8	Very high	95.9	Very high	58 Å²	58	26.7 Å²	26.7	27%	0.271	15%	0.154	S	C	.	.	P	Polyproline II helix	trans	-77.9	163.2	175.4	73.7	-79	-157.7	0	0	111.8	V77 D78 M80	V77-E82 CarbonylContact C-O 3.48Å; V77-E82 WeakPolarHBondContact CA-O 3.38Å; D78-E82 VanDerWaalsContact CB-CD 3.42Å; D78-E82 HydrophobicContact CB-CG 3.72Å; D78-E82 WeakPolarHBondContact CB-OE1 3.38Å; D78-E82 PolarHBondContact N-O 3.4Å; M80-E82 VanDerWaalsContact C-N 3.34Å; M80-E82 WeakPolarHBondContact CA-OE2 3.2Å; M80-E82 WeakPolarHBondContact CB-OE2 3.48Å; M80-E82 PolarHBondContact N-OE2 3.39Å
83	M	92.9	Very high	95.9	Very high	34 Å²	34	28.3 Å²	28.3	17%	0.167	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-70	148.6	171.4	-61.8	-67.1	-70.1	0	0	110.4	K75 T85 K355	K75-M83 HydrophobicContact CB-CE 4.36Å; K75-M83 HydrophobicContact CG-CE 4.4Å; M83-T85 PolarHBondContact O-N 3.12Å; M83-K355 HydrophobicContact CB-CD 4.31Å; M83-K355 HydrophobicContact CB-CG 4Å; M83-K355 HydrophobicContact CG-CG 4.31Å
84	V	93.3	Very high	95.9	Very high	1 Å²	1	31 Å²	31	1%	0.006	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-53.6	140.6	177.5	76.5	0	0	0	0	113	Y24 L76 D78 W88 E89	Y24-V84 HydrophobicContact CE1-CG1 3.91Å; Y24-V84 WeakPolarHBondContact OH-CG1 3.28Å; L76-V84 HydrophobicContact CB-CB 3.94Å; L76-V84 HydrophobicContact CB-CG1 4.13Å; L76-V84 HydrophobicContact CB-CG2 4.42Å; L76-V84 PolarHBondContact O-N 2.66Å; D78-V84 WeakPolarHBondContact OD2-CA 3.32Å; V84-W88 HydrophobicContact CG2-CB 3.54Å; V84-W88 HydrophobicContact CG2-CG 4.31Å; V84-E89 HydrophobicContact CG1-CG 4.26Å
85	T	91.8	Very high	95.9	Very high	53 Å²	53	31 Å²	31	33%	0.325	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-59.4	149.9	-179.3	64.8	0	0	0	0	113.6	D78 M83 A87 W88 E89	D78-T85 PolarHBondContact OD2-N 2.9Å; M83-T85 PolarHBondContact O-N 3.12Å; T85-A87 VanDerWaalsContact C-N 3.26Å; T85-A87 PolarHBondContact O-N 2.74Å; T85-A87 VanDerWaalsContact O-N 3.16Å; T85-W88 PolarHBondContact O-N 2.91Å; T85-E89 PolarHBondContact O-N 2.8Å
86	P	91.1	Very high	95.9	Very high	90 Å²	90	30.8 Å²	30.8	58%	0.584	18%	0.175	S	C	*	.	H	α-helix	trans	-54.5	-35.7	179.3	-29.3	36.2	0	0	0	115.1	W88 E89	P86-W88 PolarHBondContact O-N 3.47Å; P86-E89 WeakPolarHBondContact O-CB 3.33Å; P86-E89 PolarHBondContact O-N 2.95Å
87	A	92.8	Very high	95.9	Very high	56 Å²	56	32.3 Å²	32.3	46%	0.463	18%	0.183	S	C	.	.	H	α-helix	trans	-60.3	-34.5	177.4	0	0	0	0	0	112.3	T85 V90	T85-A87 VanDerWaalsContact C-N 3.26Å; T85-A87 PolarHBondContact O-N 2.74Å; T85-A87 VanDerWaalsContact O-N 3.16Å; A87-V90 WeakPolarHBondContact O-CB 3.41Å; A87-V90 PolarHBondContact O-N 2.99Å
88	W	96.3	Very high	95.8	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.015	19%	0.186	C	C	.	.	H	α-helix	trans	-83.7	-17.9	-178.5	-81.7	68.1	0	0	0	113.6	L46 L49 R50 K53 V84 T85 P86 V90 Y91 A92 E114 I116	L46-W88 HydrophobicContact CD1-CE3 3.65Å; L46-W88 HydrophobicContact CD1-CZ3 3.51Å; L46-W88 HydrophobicContact CG-CE3 4.11Å; L46-W88 HydrophobicContact CG-CZ3 4.2Å; L49-W88 HydrophobicContact CB-CH2 4.44Å; L49-W88 HydrophobicContact CB-CZ3 4.42Å; R50-W88 VanDerWaalsContact CA-CH2 3.4Å; R50-W88 VanDerWaalsContact CA-CZ3 3.43Å; R50-W88 HydrophobicContact CB-CE3 3.92Å; R50-W88 HydrophobicContact CB-CH2 3.9Å; R50-W88 HydrophobicContact CB-CZ3 3.42Å; R50-W88 VanDerWaalsContact CB-CZ3 3.42Å; R50-W88 HydrophobicContact CG-CE3 4.19Å; R50-W88 HydrophobicContact CG-CH2 4.41Å; R50-W88 HydrophobicContact CG-CZ3 4.08Å; K53-W88 HydrophobicContact CB-CH2 4.2Å; K53-W88 HydrophobicContact CB-CZ2 4.05Å; K53-W88 HydrophobicContact CG-CZ2 3.98Å; V84-W88 HydrophobicContact CG2-CB 3.54Å; V84-W88 HydrophobicContact CG2-CG 4.31Å; T85-W88 PolarHBondContact O-N 2.91Å; P86-W88 PolarHBondContact O-N 3.47Å; W88-V90 PolarHBondContact O-N 2.85Å; W88-Y91 HydrophobicContact CB-CD2 4.49Å; W88-Y91 HydrophobicContact CD2-CD2 4.04Å; W88-Y91 HydrophobicContact CE3-CD2 4.4Å; W88-Y91 HydrophobicContact CG-CD2 4.1Å; W88-Y91 PolarHBondContact O-N 2.76Å; W88-A92 PolarHBondContact O-N 3.15Å; W88-E114 HydrophobicContact CZ2-CB 4.36Å; W88-E114 HydrophobicContact CZ2-CG 3.84Å; W88-I116 HydrophobicContact CH2-CD1 4.08Å
89	E	95.7	Very high	95.7	Very high	38 Å²	38	36.2 Å²	36.2	18%	0.178	20%	0.203	C	C	.	.	H	α-helix	trans	-64.1	-33.1	169.2	-56	175.2	-163.8	0	0	111.5	Y24 V84 T85 P86 A92 T93 K355	Y24-E89 HydrophobicContact CD1-CB 3.76Å; Y24-E89 HydrophobicContact CD1-CG 3.56Å; Y24-E89 HydrophobicContact CE1-CB 4.46Å; Y24-E89 HydrophobicContact CE1-CG 3.84Å; Y24-E89 HydrophobicContact CG-CB 4.2Å; Y24-E89 HydrophobicContact CG-CG 4.44Å; V84-E89 HydrophobicContact CG1-CG 4.26Å; T85-E89 PolarHBondContact O-N 2.8Å; P86-E89 WeakPolarHBondContact O-CB 3.33Å; P86-E89 PolarHBondContact O-N 2.95Å; E89-A92 PolarHBondContact O-N 3.41Å; E89-T93 WeakPolarHBondContact O-CB 3.5Å; E89-T93 PolarHBondContact O-N 3.3Å; E89-T93 PolarHBondContact O-OG1 2.96Å; E89-K355 IonicContact OE1-NZ 3.24Å; E89-K355 PolarHBondContact OE1-NZ 2.87Å
90	V	96.3	Very high	95.4	Very high	91 Å²	91	38.8 Å²	38.8	55%	0.552	21%	0.214	S	C	*	.	H	α-helix	trans	-65.1	-46	175.4	-177.3	0	0	0	0	110	A87 W88 A92 T93 Q94	A87-V90 WeakPolarHBondContact O-CB 3.41Å; A87-V90 PolarHBondContact O-N 2.99Å; W88-V90 PolarHBondContact O-N 2.85Å; V90-A92 VanDerWaalsContact C-N 3.34Å; V90-A92 PolarHBondContact O-N 2.76Å; V90-T93 PolarHBondContact O-N 3.28Å; V90-Q94 WeakPolarHBondContact O-CB 3.46Å; V90-Q94 PolarHBondContact O-N 2.82Å
91	Y	98.1	Very high	95.3	Very high	21 Å²	21	41.5 Å²	41.5	8%	0.082	23%	0.225	C	C	.	.	H	α-helix	trans	-64.5	-38.6	175	-58.3	-44.5	0	0	0	112.2	W88 T93 Q94 L95 V110 E114	W88-Y91 HydrophobicContact CB-CD2 4.49Å; W88-Y91 HydrophobicContact CD2-CD2 4.04Å; W88-Y91 HydrophobicContact CE3-CD2 4.4Å; W88-Y91 HydrophobicContact CG-CD2 4.1Å; W88-Y91 PolarHBondContact O-N 2.76Å; Y91-T93 PolarHBondContact O-N 3.17Å; Y91-Q94 PolarHBondContact O-N 2.94Å; Y91-L95 WeakPolarHBondContact O-CB 3.3Å; Y91-L95 WeakPolarHBondContact O-CG 3.4Å; Y91-L95 PolarHBondContact O-N 3.45Å; Y91-V110 HydrophobicContact CD1-CG2 3.69Å; Y91-V110 HydrophobicContact CD2-CG1 4.2Å; Y91-V110 HydrophobicContact CE1-CG2 4.36Å; Y91-V110 HydrophobicContact CG-CG1 4.17Å; Y91-V110 HydrophobicContact CG-CG2 3.87Å; Y91-E114 HydrophobicContact CE2-CG 3.64Å; Y91-E114 WeakPolarHBondContact CE2-OE1 3.37Å; Y91-E114 PolarHBondContact OH-OE1 3.34Å
92	A	98.2	Very high	95.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-59.6	-47.4	174.2	0	0	0	0	0	111.5	Y24 F29 M43 L46 W88 E89 V90 L95 A96	Y24-A92 HydrophobicContact CD2-CB 3.43Å; Y24-A92 VanDerWaalsContact CD2-CB 3.43Å; Y24-A92 HydrophobicContact CE2-CB 4.01Å; Y24-A92 HydrophobicContact CG-CB 3.97Å; F29-A92 HydrophobicContact CE2-CB 4.07Å; F29-A92 HydrophobicContact CZ-CB 4.41Å; F29-A92 WeakPolarHBondContact CZ-O 3.43Å; M43-A92 HydrophobicContact CE-CB 4.08Å; M43-A92 HydrophobicContact SD-CB 3.8Å; L46-A92 VanDerWaalsContact CD2-CA 3.42Å; L46-A92 HydrophobicContact CD2-CB 3.55Å; W88-A92 PolarHBondContact O-N 3.15Å; E89-A92 PolarHBondContact O-N 3.41Å; V90-A92 VanDerWaalsContact C-N 3.34Å; V90-A92 PolarHBondContact O-N 2.76Å; A92-L95 PolarHBondContact O-N 3.27Å; A92-A96 VanDerWaalsContact O-CB 3.28Å; A92-A96 WeakPolarHBondContact O-CB 3.42Å; A92-A96 PolarHBondContact O-N 3.09Å
93	T	97.3	Very high	95.5	Very high	33 Å²	33	43.9 Å²	43.9	20%	0.202	24%	0.236	C	C	.	.	H	α-helix	trans	-63	-44	176.5	-58.1	0	0	0	0	111.8	Y24 E89 V90 Y91 N97	Y24-T93 WeakPolarHBondContact CB-OG1 3.41Å; Y24-T93 PolarHBondContact N-OG1 2.79Å; E89-T93 WeakPolarHBondContact O-CB 3.5Å; E89-T93 PolarHBondContact O-N 3.3Å; E89-T93 PolarHBondContact O-OG1 2.96Å; V90-T93 PolarHBondContact O-N 3.28Å; Y91-T93 PolarHBondContact O-N 3.17Å; T93-N97 WeakPolarHBondContact CG2-ND2 3.46Å; T93-N97 WeakPolarHBondContact O-CB 3.21Å; T93-N97 PolarHBondContact O-N 2.94Å; T93-N97 VanDerWaalsContact O-N 3.14Å; T93-N97 PolarHBondContact O-ND2 2.68Å
94	Q	97.6	Very high	95.6	Very high	56 Å²	56	44.5 Å²	44.5	26%	0.262	24%	0.24	S	C	.	.	H	α-helix	trans	-60.7	-50.7	177.2	-177.5	-177.3	-3.6	0	0	110.9	V90 Y91 N97 A98 A106	V90-Q94 WeakPolarHBondContact O-CB 3.46Å; V90-Q94 PolarHBondContact O-N 2.82Å; Y91-Q94 PolarHBondContact O-N 2.94Å; Q94-N97 PolarHBondContact O-N 3.36Å; Q94-A98 PolarHBondContact O-N 3.17Å; Q94-A106 HydrophobicContact CG-CB 4.32Å
95	L	97.9	Very high	95.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.1	-47.5	-179.6	-74.2	173.3	0	0	0	111.7	R42 M43 L46 Y91 A92 N97 A98 L103 A106 L107	R42-L95 VanDerWaalsContact CD-O 3.29Å; R42-L95 WeakPolarHBondContact CD-O 3.2Å; R42-L95 PolarHBondContact NH1-O 3.42Å; M43-L95 HydrophobicContact CE-CB 4.49Å; L46-L95 HydrophobicContact CB-CD1 3.86Å; L46-L95 HydrophobicContact CD1-CD1 3.83Å; L46-L95 HydrophobicContact CD2-CD1 4.38Å; L46-L95 HydrophobicContact CG-CD1 4.24Å; Y91-L95 WeakPolarHBondContact O-CB 3.3Å; Y91-L95 WeakPolarHBondContact O-CG 3.4Å; Y91-L95 PolarHBondContact O-N 3.45Å; A92-L95 PolarHBondContact O-N 3.27Å; L95-N97 PolarHBondContact O-N 2.9Å; L95-A98 PolarHBondContact O-N 3.38Å; L95-L103 HydrophobicContact CD2-CD1 4.06Å; L95-A106 HydrophobicContact CD2-CB 3.86Å; L95-L107 HydrophobicContact CD1-CD2 4.2Å; L95-L107 HydrophobicContact CD2-CD2 3.77Å; L95-L107 HydrophobicContact CD2-CG 3.73Å
96	A	97.5	Very high	96.1	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-57.9	-35	179.4	0	0	0	0	0	112.4	F29 H38 V39 R42 A92	F29-A96 HydrophobicContact CE1-CB 3.86Å; F29-A96 HydrophobicContact CE2-CB 3.73Å; F29-A96 HydrophobicContact CZ-CB 3.27Å; H38-A96 PolarHBondContact NE2-O 3.49Å; V39-A96 HydrophobicContact CG1-CB 4.34Å; V39-A96 HydrophobicContact CG2-CB 4.44Å; R42-A96 PolarHBondContact NH1-O 2.94Å; A92-A96 VanDerWaalsContact O-CB 3.28Å; A92-A96 WeakPolarHBondContact O-CB 3.42Å; A92-A96 PolarHBondContact O-N 3.09Å
97	N	97.4	Very high	96.4	Very high	34 Å²	34	41.8 Å²	41.8	18%	0.182	22%	0.222	C	C	.	.	H	α-helix	trans	-93.2	-9.5	-177.7	-65.2	-48.5	0	0	0	115	K16 V21 L22 T93 Q94 L95 E99	K16-N97 PolarHBondContact NZ-O 3.18Å; V21-N97 WeakPolarHBondContact CA-OD1 3.44Å; L22-N97 PolarHBondContact N-OD1 3.25Å; L22-N97 PolarHBondContact O-ND2 2.87Å; L22-N97 PolarHBondContact O-OD1 2.89Å; T93-N97 WeakPolarHBondContact CG2-ND2 3.46Å; T93-N97 WeakPolarHBondContact O-CB 3.21Å; T93-N97 PolarHBondContact O-N 2.94Å; T93-N97 VanDerWaalsContact O-N 3.14Å; T93-N97 PolarHBondContact O-ND2 2.68Å; Q94-N97 PolarHBondContact O-N 3.36Å; L95-N97 PolarHBondContact O-N 2.9Å; N97-E99 PolarHBondContact O-N 3.23Å
98	A	96.9	Very high	96.6	Very high	7 Å²	7	43.4 Å²	43.4	6%	0.058	22%	0.219	C	C	.	.			trans	-57.4	136.4	-180	0	0	0	0	0	111.6	R42 Q94 L95 E102 A106	R42-A98 VanDerWaalsContact CZ-O 3.27Å; R42-A98 PolarHBondContact NH1-O 2.97Å; R42-A98 PolarHBondContact NH2-O 3.06Å; Q94-A98 PolarHBondContact O-N 3.17Å; L95-A98 PolarHBondContact O-N 3.38Å; A98-E102 HydrophobicContact CB-CB 4.44Å; A98-A106 HydrophobicContact CB-CB 4.17Å
99	E	95.8	Very high	96.6	Very high	75 Å²	75	45.7 Å²	45.7	35%	0.35	23%	0.232	S	C	.	.			trans	-67.7	163.8	169.1	-63.9	-54.9	148.4	0	0	110.6	K16 N97 E101 E102 L103	K16-E99 IonicContact NZ-OE1 3.96Å; K16-E99 PolarHBondContact NZ-OE1 3.44Å; K16-E99 IonicContact NZ-OE2 3.1Å; N97-E99 PolarHBondContact O-N 3.23Å; E99-E101 VanDerWaalsContact C-N 3.28Å; E99-E101 PolarHBondContact O-N 3.36Å; E99-E102 HydrophobicContact CB-CG 4.28Å; E99-E102 PolarHBondContact N-OE2 3.49Å; E99-E102 PolarHBondContact O-N 3.27Å; E99-L103 PolarHBondContact O-N 3.34Å
100	Q	92.8	Very high	96.8	Very high	69 Å²	69	43.9 Å²	43.9	32%	0.322	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-43	-170.7	-178.8	58.2	25.4	0	0	111.9	S11 E102	S11-Q100 PolarHBondContact OG-NE2 2.96Å; Q100-E102 VanDerWaalsContact C-N 3.29Å; Q100-E102 PolarHBondContact O-N 2.92Å
101	E	93.2	Very high	96.8	Very high	151 Å²	151	40.6 Å²	40.6	71%	0.706	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-21.3	176.5	60.1	-85.7	-160.1	0	0	113.7	E99	E99-E101 VanDerWaalsContact C-N 3.28Å; E99-E101 PolarHBondContact O-N 3.36Å
102	E	95.6	Very high	96.8	Very high	108 Å²	108	46.4 Å²	46.4	51%	0.505	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-15.2	-177.3	-59.3	-174.9	139	0	0	113.2	A98 E99 Q100 L104 T105 A106	A98-E102 HydrophobicContact CB-CB 4.44Å; E99-E102 HydrophobicContact CB-CG 4.28Å; E99-E102 PolarHBondContact N-OE2 3.49Å; E99-E102 PolarHBondContact O-N 3.27Å; Q100-E102 VanDerWaalsContact C-N 3.29Å; Q100-E102 PolarHBondContact O-N 2.92Å; E102-L104 VanDerWaalsContact C-N 3.32Å; E102-L104 PolarHBondContact O-N 3.01Å; E102-T105 WeakPolarHBondContact O-CB 3.41Å; E102-T105 PolarHBondContact O-N 3.1Å; E102-A106 PolarHBondContact O-N 3.13Å
103	L	96.3	Very high	96.8	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-54.3	-45	-174.7	176.3	60.6	0	0	0	112.7	F41 R42 L95 E99 T105 A106 L107	F41-L103 HydrophobicContact CE1-CD2 4.41Å; R42-L103 HydrophobicContact CG-CD1 4.08Å; L95-L103 HydrophobicContact CD2-CD1 4.06Å; E99-L103 PolarHBondContact O-N 3.34Å; L103-T105 VanDerWaalsContact C-N 3.32Å; L103-T105 PolarHBondContact O-N 2.74Å; L103-A106 PolarHBondContact O-N 3.42Å; L103-L107 HydrophobicContact CD1-CD1 4.13Å; L103-L107 HydrophobicContact CD1-CG 4.35Å; L103-L107 HydrophobicContact CG-CD1 3.99Å; L103-L107 WeakPolarHBondContact O-CD1 3.3Å; L103-L107 WeakPolarHBondContact O-CG 3.04Å; L103-L107 PolarHBondContact O-N 3.04Å
104	L	96.6	Very high	96.8	Very high	46 Å²	46	54.5 Å²	54.5	24%	0.241	26%	0.258	C	S	.	.	H	α-helix	trans	-67.3	-34.2	179.7	-62.9	-173.6	0	0	0	112.6	F4 V7 S8 E102 L107 K108	F4-L104 HydrophobicContact CB-CD2 3.92Å; V7-L104 HydrophobicContact CB-CD2 4.32Å; V7-L104 HydrophobicContact CG1-CD2 3.95Å; S8-L104 VanDerWaalsContact OG-CD1 3.27Å; S8-L104 WeakPolarHBondContact OG-CD1 3.43Å; E102-L104 VanDerWaalsContact C-N 3.32Å; E102-L104 PolarHBondContact O-N 3.01Å; L104-L107 HydrophobicContact CD2-CD1 4.22Å; L104-K108 VanDerWaalsContact O-CG 3.28Å; L104-K108 WeakPolarHBondContact O-CG 3.31Å; L104-K108 PolarHBondContact O-N 2.85Å
105	T	97	Very high	96.8	Very high	80 Å²	80	55.7 Å²	55.7	49%	0.491	28%	0.278	S	S	.	.	H	α-helix	trans	-65.9	-49.8	175.2	-56.1	0	0	0	0	109.3	E102 L103 L107 K108 D109	E102-T105 WeakPolarHBondContact O-CB 3.41Å; E102-T105 PolarHBondContact O-N 3.1Å; L103-T105 VanDerWaalsContact C-N 3.32Å; L103-T105 PolarHBondContact O-N 2.74Å; T105-L107 VanDerWaalsContact C-N 3.3Å; T105-L107 PolarHBondContact O-N 2.84Å; T105-K108 PolarHBondContact O-N 3.4Å; T105-K108 VanDerWaalsContact O-N 3.13Å; T105-D109 VanDerWaalsContact O-CG 3.29Å; T105-D109 PolarHBondContact O-N 3.08Å
106	A	97.3	Very high	96.8	Very high	7 Å²	7	56.2 Å²	56.2	6%	0.058	28%	0.281	C	S	.	.	H	α-helix	trans	-58.3	-39.7	176.9	0	0	0	0	0	112.7	Q94 L95 A98 E102 L103 D109 V110	Q94-A106 HydrophobicContact CG-CB 4.32Å; L95-A106 HydrophobicContact CD2-CB 3.86Å; A98-A106 HydrophobicContact CB-CB 4.17Å; E102-A106 PolarHBondContact O-N 3.13Å; L103-A106 PolarHBondContact O-N 3.42Å; A106-D109 PolarHBondContact O-N 3.39Å; A106-V110 WeakPolarHBondContact O-CG2 3.39Å; A106-V110 PolarHBondContact O-N 2.78Å
107	L	97.5	Very high	96.8	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64	-44.7	175.1	-76	160.9	0	0	0	112.7	V7 L45 L49 L95 L103 L104 T105 D109 V110 I111	V7-L107 HydrophobicContact CG1-CD1 3.78Å; L45-L107 HydrophobicContact CB-CD2 4.02Å; L45-L107 HydrophobicContact CD1-CD1 4Å; L45-L107 HydrophobicContact CD1-CD2 4.2Å; L49-L107 HydrophobicContact CD1-CD2 4.05Å; L95-L107 HydrophobicContact CD1-CD2 4.2Å; L95-L107 HydrophobicContact CD2-CD2 3.77Å; L95-L107 HydrophobicContact CD2-CG 3.73Å; L103-L107 HydrophobicContact CD1-CD1 4.13Å; L103-L107 HydrophobicContact CD1-CG 4.35Å; L103-L107 HydrophobicContact CG-CD1 3.99Å; L103-L107 WeakPolarHBondContact O-CD1 3.3Å; L103-L107 WeakPolarHBondContact O-CG 3.04Å; L103-L107 PolarHBondContact O-N 3.04Å; L104-L107 HydrophobicContact CD2-CD1 4.22Å; T105-L107 VanDerWaalsContact C-N 3.3Å; T105-L107 PolarHBondContact O-N 2.84Å; L107-D109 VanDerWaalsContact C-N 3.33Å; L107-V110 PolarHBondContact O-N 3Å; L107-I111 WeakPolarHBondContact O-CG1 3.36Å; L107-I111 PolarHBondContact O-N 2.88Å; L107-I111 VanDerWaalsContact O-N 3.1Å
108	K	97.4	Very high	96.7	Very high	90 Å²	90	59.5 Å²	59.5	39%	0.391	30%	0.303	S	S	.	.	H	α-helix	trans	-64.1	-40.1	177.7	-73	170.5	-173.6	172	0	111.4	F4 L104 T105 V110 I111 E112	F4-K108 HydrophobicContact CE2-CG 4.4Å; L104-K108 VanDerWaalsContact O-CG 3.28Å; L104-K108 WeakPolarHBondContact O-CG 3.31Å; L104-K108 PolarHBondContact O-N 2.85Å; T105-K108 PolarHBondContact O-N 3.4Å; T105-K108 VanDerWaalsContact O-N 3.13Å; K108-V110 VanDerWaalsContact C-N 3.29Å; K108-V110 PolarHBondContact O-N 3.24Å; K108-I111 WeakPolarHBondContact O-CB 3.24Å; K108-I111 PolarHBondContact O-N 3.01Å; K108-I111 VanDerWaalsContact O-N 3.12Å; K108-E112 WeakPolarHBondContact O-CG 3.48Å; K108-E112 PolarHBondContact O-N 3.22Å
109	D	97.5	Very high	96.6	Very high	52 Å²	52	63.7 Å²	63.7	28%	0.278	34%	0.338	S	S	.	.	H	α-helix	trans	-58.1	-43	176.1	-70.2	-5.8	0	0	0	111.5	T105 A106 L107 E112 R113	T105-D109 VanDerWaalsContact O-CG 3.29Å; T105-D109 PolarHBondContact O-N 3.08Å; A106-D109 PolarHBondContact O-N 3.39Å; L107-D109 VanDerWaalsContact C-N 3.33Å; D109-E112 PolarHBondContact O-N 3.46Å; D109-R113 VanDerWaalsContact O-CB 3.3Å; D109-R113 WeakPolarHBondContact O-CB 3.34Å; D109-R113 VanDerWaalsContact O-CG 3.22Å; D109-R113 WeakPolarHBondContact O-CG 3.29Å; D109-R113 PolarHBondContact O-N 3.24Å
110	V	97.9	Very high	96.7	Very high	0 Å²	0	63 Å²	63	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-63.1	-45.7	175.9	178.4	0	0	0	0	110.7	L46 L49 Y91 A106 L107 K108 E112 E114 I116	L46-V110 HydrophobicContact CD1-CG1 4.36Å; L49-V110 HydrophobicContact CD1-CB 4.2Å; L49-V110 HydrophobicContact CD1-CG1 3.95Å; Y91-V110 HydrophobicContact CD1-CG2 3.69Å; Y91-V110 HydrophobicContact CD2-CG1 4.2Å; Y91-V110 HydrophobicContact CE1-CG2 4.36Å; Y91-V110 HydrophobicContact CG-CG1 4.17Å; Y91-V110 HydrophobicContact CG-CG2 3.87Å; A106-V110 WeakPolarHBondContact O-CG2 3.39Å; A106-V110 PolarHBondContact O-N 2.78Å; L107-V110 PolarHBondContact O-N 3Å; K108-V110 VanDerWaalsContact C-N 3.29Å; K108-V110 PolarHBondContact O-N 3.24Å; V110-E112 VanDerWaalsContact C-N 3.35Å; V110-E112 PolarHBondContact O-N 3.26Å; V110-E114 WeakPolarHBondContact O-CB 3.29Å; V110-E114 PolarHBondContact O-N 3Å; V110-I116 HydrophobicContact CG1-CD1 4.32Å
111	I	98.2	Very high	96.9	Very high	22 Å²	22	66.6 Å²	66.6	11%	0.113	35%	0.351	C	S	.	.	H	α-helix	trans	-59.2	-45.9	179.1	-69.9	161.9	0	0	0	111.2	F4 L49 L107 K108 A115 I116 M118	F4-I111 HydrophobicContact CE1-CD1 4Å; F4-I111 HydrophobicContact CZ-CD1 3.62Å; L49-I111 HydrophobicContact CD1-CG1 4.11Å; L49-I111 HydrophobicContact CD2-CD1 4.01Å; L49-I111 HydrophobicContact CD2-CG1 3.63Å; L107-I111 WeakPolarHBondContact O-CG1 3.36Å; L107-I111 PolarHBondContact O-N 2.88Å; L107-I111 VanDerWaalsContact O-N 3.1Å; K108-I111 WeakPolarHBondContact O-CB 3.24Å; K108-I111 PolarHBondContact O-N 3.01Å; K108-I111 VanDerWaalsContact O-N 3.12Å; I111-A115 CarbonylContact O-C 3.46Å; I111-A115 WeakPolarHBondContact O-CA 3.31Å; I111-A115 PolarHBondContact O-N 3.27Å; I111-I116 HydrophobicContact CG2-CB 4.27Å; I111-I116 PolarHBondContact O-N 2.98Å; I111-M118 HydrophobicContact CD1-CE 4.18Å; I111-M118 HydrophobicContact CD1-CG 4.39Å; I111-M118 HydrophobicContact CD1-SD 3.6Å; I111-M118 HydrophobicContact CG1-SD 3.89Å; I111-M118 HydrophobicContact CG2-CG 4.31Å; I111-M118 HydrophobicContact CG2-SD 4.34Å
112	E	97.9	Very high	97.2	Very high	143 Å²	143	59.5 Å²	59.5	67%	0.668	32%	0.318	S	S	*	.	H	α-helix	trans	-68.8	-48.9	-178.9	-71.6	177.2	-169.2	0	0	111.6	K108 D109 V110 E114 A115	K108-E112 WeakPolarHBondContact O-CG 3.48Å; K108-E112 PolarHBondContact O-N 3.22Å; D109-E112 PolarHBondContact O-N 3.46Å; V110-E112 VanDerWaalsContact C-N 3.35Å; V110-E112 PolarHBondContact O-N 3.26Å; E112-E114 VanDerWaalsContact C-N 3.35Å; E112-E114 PolarHBondContact O-N 3.41Å; E112-A115 PolarHBondContact O-N 3.5Å; E112-A115 VanDerWaalsContact O-N 3.13Å
113	R	97.5	Very high	97.3	Very high	168 Å²	168	56 Å²	56	63%	0.634	31%	0.306	S	S	*	.	H	α-helix	trans	-62	-41.2	-179.1	-74	178.2	-177.8	-159.7	4	112.8	D109 A115	D109-R113 VanDerWaalsContact O-CB 3.3Å; D109-R113 WeakPolarHBondContact O-CB 3.34Å; D109-R113 VanDerWaalsContact O-CG 3.22Å; D109-R113 WeakPolarHBondContact O-CG 3.29Å; D109-R113 PolarHBondContact O-N 3.24Å; R113-A115 VanDerWaalsContact C-N 3.3Å
114	E	97.9	Very high	97.4	Very high	35 Å²	35	56 Å²	56	16%	0.164	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	2.3	179.7	-65.3	-63.6	137.5	0	0	112.6	K53 W88 Y91 V110 E112 I116	K53-E114 HydrophobicContact CD-CB 4.42Å; K53-E114 WeakPolarHBondContact CD-O 3.42Å; K53-E114 WeakPolarHBondContact CE-O 3.3Å; K53-E114 PolarHBondContact NZ-O 3.24Å; W88-E114 HydrophobicContact CZ2-CB 4.36Å; W88-E114 HydrophobicContact CZ2-CG 3.84Å; Y91-E114 HydrophobicContact CE2-CG 3.64Å; Y91-E114 WeakPolarHBondContact CE2-OE1 3.37Å; Y91-E114 PolarHBondContact OH-OE1 3.34Å; V110-E114 WeakPolarHBondContact O-CB 3.29Å; V110-E114 PolarHBondContact O-N 3Å; E112-E114 VanDerWaalsContact C-N 3.35Å; E112-E114 PolarHBondContact O-N 3.41Å; E114-I116 VanDerWaalsContact C-N 3.29Å; E114-I116 HydrophobicContact CB-CD1 3.87Å; E114-I116 HydrophobicContact CB-CG1 3.58Å; E114-I116 PolarHBondContact O-N 2.66Å
115	A	97.4	Very high	97.5	Very high	82 Å²	82	54.1 Å²	54.1	68%	0.678	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	49.8	-176.8	0	0	0	0	0	112.3	I111 E112 R113 S117	I111-A115 CarbonylContact O-C 3.46Å; I111-A115 WeakPolarHBondContact O-CA 3.31Å; I111-A115 PolarHBondContact O-N 3.27Å; E112-A115 PolarHBondContact O-N 3.5Å; E112-A115 VanDerWaalsContact O-N 3.13Å; R113-A115 VanDerWaalsContact C-N 3.3Å; A115-S117 PolarHBondContact O-N 2.74Å
116	I	97.8	Very high	97.6	Very high	11 Å²	11	50.3 Å²	50.3	6%	0.056	27%	0.272	C	S	.	.			trans	-78.7	122.8	-173.8	-53.6	-177.6	0	0	0	109.8	L49 K52 K53 W88 V110 I111 E114 M118	L49-I116 HydrophobicContact CB-CD1 3.87Å; L49-I116 HydrophobicContact CD2-CD1 4.25Å; L49-I116 HydrophobicContact CD2-CG2 4.47Å; L49-I116 HydrophobicContact CG-CD1 4.46Å; K52-I116 HydrophobicContact CB-CG2 3.59Å; K52-I116 HydrophobicContact CD-CG2 4.42Å; K53-I116 HydrophobicContact CB-CD1 4.4Å; K53-I116 HydrophobicContact CB-CG1 4.27Å; W88-I116 HydrophobicContact CH2-CD1 4.08Å; V110-I116 HydrophobicContact CG1-CD1 4.32Å; I111-I116 HydrophobicContact CG2-CB 4.27Å; I111-I116 PolarHBondContact O-N 2.98Å; E114-I116 VanDerWaalsContact C-N 3.29Å; E114-I116 HydrophobicContact CB-CD1 3.87Å; E114-I116 HydrophobicContact CB-CG1 3.58Å; E114-I116 PolarHBondContact O-N 2.66Å; I116-M118 HydrophobicContact CG2-SD 4.46Å; I116-M118 PolarHBondContact O-N 2.98Å
117	S	96.8	Very high	97.7	Very high	70 Å²	70	50 Å²	50	49%	0.49	27%	0.27	S	S	.	.			trans	-76	111.8	170.2	178.9	0	0	0	0	110.1	A115 A119 Q120	A115-S117 PolarHBondContact O-N 2.74Å; S117-A119 PolarHBondContact O-N 2.94Å; S117-Q120 VanDerWaalsContact O-CB 3.28Å; S117-Q120 WeakPolarHBondContact O-CB 3.44Å; S117-Q120 PolarHBondContact O-N 3.16Å; S117-Q120 VanDerWaalsContact O-N 3.15Å
118	M	95.8	Very high	97.8	Very high	33 Å²	33	50.9 Å²	50.9	16%	0.163	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-19.1	179.3	-66.4	-57	-68.4	0	0	113.9	F4 L49 K52 I111 I116 Q120 L148	F4-M118 HydrophobicContact CE1-CE 4.4Å; F4-M118 HydrophobicContact CZ-CE 4.41Å; L49-M118 HydrophobicContact CD2-CE 4.33Å; L49-M118 HydrophobicContact CD2-SD 3.91Å; K52-M118 HydrophobicContact CD-CE 4.42Å; K52-M118 HydrophobicContact CD-SD 4.17Å; K52-M118 PolarHBondContact NZ-O 3.5Å; K52-M118 VanDerWaalsContact NZ-O 3.08Å; I111-M118 HydrophobicContact CD1-CE 4.18Å; I111-M118 HydrophobicContact CD1-CG 4.39Å; I111-M118 HydrophobicContact CD1-SD 3.6Å; I111-M118 HydrophobicContact CG1-SD 3.89Å; I111-M118 HydrophobicContact CG2-CG 4.31Å; I111-M118 HydrophobicContact CG2-SD 4.34Å; I116-M118 HydrophobicContact CG2-SD 4.46Å; I116-M118 PolarHBondContact O-N 2.98Å; M118-Q120 VanDerWaalsContact C-N 3.26Å; M118-Q120 PolarHBondContact O-N 2.84Å; M118-L148 HydrophobicContact CE-CD1 3.81Å; M118-L148 HydrophobicContact CE-CG 4.15Å
119	A	95.1	Very high	97.8	Very high	94 Å²	94	46.7 Å²	46.7	78%	0.777	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-16	174.1	0	0	0	0	0	113.2	S117	S117-A119 PolarHBondContact O-N 2.94Å
120	Q	97.1	Very high	97.9	Very high	62 Å²	62	46.4 Å²	46.4	29%	0.29	26%	0.256	S	S	.	.	S	Bend	trans	-66.8	134.2	176.3	-176.6	57.8	63.5	0	0	110	K52 K55 S117 M118	K52-Q120 HydrophobicContact CB-CB 4.17Å; K52-Q120 HydrophobicContact CB-CG 4.36Å; K52-Q120 HydrophobicContact CG-CB 4.39Å; K52-Q120 WeakPolarHBondContact CG-O 3.47Å; K52-Q120 PolarHBondContact NZ-O 3.2Å; K52-Q120 WeakPolarHBondContact O-CG 3.28Å; K55-Q120 HydrophobicContact CG-CG 4.19Å; S117-Q120 VanDerWaalsContact O-CB 3.28Å; S117-Q120 WeakPolarHBondContact O-CB 3.44Å; S117-Q120 PolarHBondContact O-N 3.16Å; S117-Q120 VanDerWaalsContact O-N 3.15Å; M118-Q120 VanDerWaalsContact C-N 3.26Å; M118-Q120 PolarHBondContact O-N 2.84Å
121	E	97.3	Very high	97.9	Very high	143 Å²	143	46.7 Å²	46.7	67%	0.668	26%	0.257	S	S	*	.			trans	-65.6	146.9	172	-67.9	-176	170.7	0	0	111
122	A	98.4	Very high	97.9	Very high	2 Å²	2	50.3 Å²	50.3	2%	0.017	28%	0.282	C	S	.	.			trans	-121.3	140.5	177.8	0	0	0	0	0	110.5	T48 S51 K52 H151	T48-A122 HydrophobicContact CG2-CB 3.72Å; S51-A122 WeakPolarHBondContact OG-CA 3.46Å; K52-A122 HydrophobicContact CG-CB 3.85Å; A122-H151 WeakPolarHBondContact O-CB 3.33Å; A122-H151 PolarHBondContact O-N 2.97Å
123	S	98.6	Very high	97.9	Very high	35 Å²	35	44.3 Å²	44.3	25%	0.245	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	124.8	177.4	179.2	0	0	0	0	109.4	S51 T57 I58 H151	S51-S123 PolarHBondContact OG-N 2.93Å; S51-S123 PolarHBondContact OG-O 2.84Å; T57-S123 VanDerWaalsContact CA-O 3.29Å; T57-S123 WeakPolarHBondContact CA-O 3.46Å; T57-S123 WeakPolarHBondContact OG1-CB 3.33Å; T57-S123 PolarHBondContact OG1-OG 3.29Å; T57-S123 VanDerWaalsContact OG1-OG 3.08Å; I58-S123 PolarHBondContact N-O 2.95Å; S123-H151 CarbonylContact C-O 3.24Å; S123-H151 WeakPolarHBondContact CA-O 3.23Å
124	V	98.9	Very high	97.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	128.1	-178.6	-176.8	0	0	0	0	110.3	A47 I58 V60 V126 V145 H151 S152 K153	A47-V124 HydrophobicContact CB-CG1 4.07Å; A47-V124 HydrophobicContact CB-CG2 4.15Å; I58-V124 CarbonylContact O-C 3.26Å; I58-V124 VanDerWaalsContact O-CA 3.26Å; I58-V124 WeakPolarHBondContact O-CA 3.39Å; V60-V124 HydrophobicContact CG2-CG1 3.68Å; V124-V126 HydrophobicContact CG1-CG2 4.25Å; V124-V145 HydrophobicContact CB-CG1 4.12Å; V124-V145 HydrophobicContact CB-CG2 3.98Å; V124-V145 HydrophobicContact CG1-CG2 3.92Å; V124-V145 HydrophobicContact CG2-CG1 4.08Å; V124-V145 HydrophobicContact CG2-CG2 4.05Å; V124-H151 PolarHBondContact N-O 3.36Å; V124-S152 CarbonylContact O-C 3.59Å; V124-S152 WeakPolarHBondContact O-CA 3.19Å; V124-K153 PolarHBondContact O-N 2.85Å
125	F	98.9	Very high	98	Very high	7 Å²	7	39.7 Å²	39.7	3%	0.031	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	132	171.8	-72	-0.6	0	0	0	109.3	T57 I58 G59 V60 K153 Y155 L163 M166 V167 Q170	T57-F125 HydrophobicContact CG2-CB 4.3Å; T57-F125 HydrophobicContact CG2-CD1 3.51Å; T57-F125 HydrophobicContact CG2-CD2 3.77Å; T57-F125 HydrophobicContact CG2-CE1 3.71Å; T57-F125 HydrophobicContact CG2-CE2 3.97Å; T57-F125 HydrophobicContact CG2-CG 3.56Å; T57-F125 HydrophobicContact CG2-CZ 3.94Å; I58-F125 PolarHBondContact O-N 2.99Å; G59-F125 CarbonylContact C-O 3.56Å; G59-F125 VanDerWaalsContact CA-O 3.29Å; G59-F125 WeakPolarHBondContact CA-O 3.27Å; V60-F125 PolarHBondContact N-O 2.85Å; F125-K153 WeakPolarHBondContact CA-O 3.41Å; F125-K153 HydrophobicContact CD1-CB 3.6Å; F125-K153 HydrophobicContact CD1-CD 4.32Å; F125-K153 HydrophobicContact CD1-CG 4.47Å; F125-K153 HydrophobicContact CE1-CB 3.71Å; F125-K153 HydrophobicContact CE1-CD 3.82Å; F125-K153 HydrophobicContact CE1-CG 4.38Å; F125-K153 HydrophobicContact CZ-CD 4.07Å; F125-Y155 HydrophobicContact CB-CD2 4.27Å; F125-Y155 HydrophobicContact CB-CE2 4.04Å; F125-Y155 HydrophobicContact CD1-CE2 4.12Å; F125-Y155 HydrophobicContact CD2-CD2 4.43Å; F125-Y155 AromaticContact CD2-CE2 3.46Å; F125-Y155 HydrophobicContact CD2-CE2 3.46Å; F125-Y155 VanDerWaalsContact CD2-CE2 3.46Å; F125-Y155 HydrophobicContact CE1-CE2 4.41Å; F125-Y155 AromaticContact CE2-CE2 3.79Å; F125-Y155 HydrophobicContact CE2-CE2 3.79Å; F125-Y155 WeakPolarHBondContact CE2-OH 3.4Å; F125-Y155 HydrophobicContact CG-CD2 4.34Å; F125-Y155 AromaticContact CG-CE2 3.63Å; F125-Y155 HydrophobicContact CG-CE2 3.63Å; F125-Y155 HydrophobicContact CZ-CE2 4.25Å; F125-L163 HydrophobicContact CB-CD1 4Å; F125-M166 HydrophobicContact CD2-CB 4.44Å; F125-V167 HydrophobicContact CB-CG2 4.19Å; F125-V167 HydrophobicContact CD2-CG2 4.11Å; F125-Q170 HydrophobicContact CE2-CB 3.71Å; F125-Q170 HydrophobicContact CE2-CG 3.99Å; F125-Q170 HydrophobicContact CZ-CB 3.95Å; F125-Q170 HydrophobicContact CZ-CG 3.7Å
126	V	98.9	Very high	98	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	137.5	179.1	-174.4	0	0	0	0	108.9	V60 V124 V141 L142 K153 Y155	V60-V126 HydrophobicContact CB-CG2 4.46Å; V60-V126 WeakPolarHBondContact O-CA 3.24Å; V124-V126 HydrophobicContact CG1-CG2 4.25Å; V126-V141 HydrophobicContact CG1-CG1 4.41Å; V126-V141 HydrophobicContact CG2-CG1 3.94Å; V126-L142 HydrophobicContact CB-CD2 4.34Å; V126-L142 HydrophobicContact CG2-CD2 3.78Å; V126-K153 PolarHBondContact N-O 3.07Å; V126-Y155 PolarHBondContact O-N 2.81Å
127	G	98.8	Very high	98.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	158.6	173.3	0	0	0	0	0	110.4	V60 V62	V60-G127 PolarHBondContact O-N 3.34Å; V60-G127 VanDerWaalsContact O-N 3.08Å; V62-G127 PolarHBondContact N-O 3.5Å
128	K	98.8	Very high	98.2	Very high	20 Å²	20	35.7 Å²	35.7	9%	0.087	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	154.6	-178	70.9	-166.2	166.8	-170.4	0	113.5	V62 D135 S138 G156 L157 V158	V62-K128 HydrophobicContact CB-CB 3.94Å; V62-K128 WeakPolarHBondContact O-CA 3.14Å; K128-D135 WeakPolarHBondContact CE-OD1 3.29Å; K128-D135 IonicContact NZ-OD1 3.9Å; K128-D135 PolarHBondContact NZ-OD1 2.9Å; K128-S138 WeakPolarHBondContact CD-OG 3.12Å; K128-S138 PolarHBondContact NZ-OG 2.77Å; K128-S138 VanDerWaalsContact NZ-OG 3.15Å; K128-G156 PolarHBondContact N-O 2.99Å; K128-L157 HydrophobicContact CG-CD2 4.24Å; K128-L157 WeakPolarHBondContact O-CA 3.32Å; K128-V158 PolarHBondContact O-N 3.19Å; K128-V158 VanDerWaalsContact O-N 3.08Å
129	D	98.6	Very high	98.3	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	23%	0.226	C	C	.	.			trans	-84.1	-171.8	171.1	73.5	9.4	0	0	0	112.5	V62 T63 R131 S134 L157 I217	V62-D129 PolarHBondContact O-N 3.03Å; V62-D129 VanDerWaalsContact O-N 3.09Å; T63-D129 WeakPolarHBondContact CA-OD2 3.47Å; T63-D129 VanDerWaalsContact CB-OD2 3.26Å; T63-D129 WeakPolarHBondContact CB-OD2 3.3Å; T63-D129 PolarHBondContact OG1-OD2 3.41Å; D129-R131 VanDerWaalsContact C-N 3.33Å; D129-R131 PolarHBondContact O-N 3.49Å; D129-R131 VanDerWaalsContact OD1-CB 3.32Å; D129-R131 WeakPolarHBondContact OD1-CB 3.4Å; D129-R131 WeakPolarHBondContact OD1-CD 3.09Å; D129-R131 VanDerWaalsContact OD1-CG 3.24Å; D129-R131 WeakPolarHBondContact OD1-CG 3.47Å; D129-R131 PolarHBondContact OD1-N 2.98Å; D129-R131 WeakPolarHBondContact OD2-CD 3.3Å; D129-R131 IonicContact OD2-NE 3.43Å; D129-R131 PolarHBondContact OD2-NE 2.98Å; D129-S134 PolarHBondContact OD1-OG 3.28Å; D129-L157 VanDerWaalsContact O-CD2 3.23Å; D129-L157 WeakPolarHBondContact O-CD2 3.14Å; D129-I217 HydrophobicContact CB-CB 4.48Å; D129-I217 HydrophobicContact CB-CG2 4.16Å
130	T	98.3	Very high	98.5	Very high	47 Å²	47	34.2 Å²	34.2	29%	0.288	19%	0.189	S	C	.	.	S	Bend	trans	-84.9	8.2	-177.1	51	0	0	0	0	114.9	L157 I217 L220	T130-L157 HydrophobicContact CG2-CD2 4.29Å; T130-I217 HydrophobicContact CG2-CB 4.06Å; T130-I217 HydrophobicContact CG2-CD1 3.98Å; T130-L220 HydrophobicContact CG2-CD1 3.77Å
131	R	98.4	Very high	98.6	Very high	6 Å²	6	31.2 Å²	31.2	2%	0.023	18%	0.175	C	C	.	.			trans	-62.2	142	-179.7	-69	164	-178	-79.4	-9.4	110.6	S65 N67 P68 E69 D71 D129 S133 S134 L246	S65-R131 PolarHBondContact O-NH2 3.27Å; N67-R131 PolarHBondContact O-NH2 3.23Å; P68-R131 PolarHBondContact O-NH1 2.81Å; E69-R131 PolarHBondContact O-NH1 3.1Å; D71-R131 WeakPolarHBondContact O-CD 3.28Å; D71-R131 PolarHBondContact O-NH1 3.27Å; D129-R131 VanDerWaalsContact C-N 3.33Å; D129-R131 PolarHBondContact O-N 3.49Å; D129-R131 VanDerWaalsContact OD1-CB 3.32Å; D129-R131 WeakPolarHBondContact OD1-CB 3.4Å; D129-R131 WeakPolarHBondContact OD1-CD 3.09Å; D129-R131 VanDerWaalsContact OD1-CG 3.24Å; D129-R131 WeakPolarHBondContact OD1-CG 3.47Å; D129-R131 PolarHBondContact OD1-N 2.98Å; D129-R131 WeakPolarHBondContact OD2-CD 3.3Å; D129-R131 IonicContact OD2-NE 3.43Å; D129-R131 PolarHBondContact OD2-NE 2.98Å; R131-S133 PolarHBondContact O-N 3.24Å; R131-S134 VanDerWaalsContact O-CB 3.24Å; R131-S134 WeakPolarHBondContact O-CB 3.49Å; R131-S134 PolarHBondContact O-N 3.18Å; R131-L246 HydrophobicContact CG-CD2 3.64Å
132	P	97.7	Very high	98.6	Very high	98 Å²	98	25 Å²	25	64%	0.636	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-28.5	179.2	-27.3	35	0	0	0	114.3	E69	E69-P132 HydrophobicContact CG-CG 4.29Å
133	S	98.6	Very high	98.6	Very high	17 Å²	17	26.2 Å²	26.2	12%	0.119	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-10.2	177.9	56.4	0	0	0	0	114.1	S33 N72 R131 D135 S136 L137	S33-S133 VanDerWaalsContact CB-CB 3.48Å; S33-S133 WeakPolarHBondContact CB-OG 3.48Å; N72-S133 PolarHBondContact ND2-OG 3.15Å; R131-S133 PolarHBondContact O-N 3.24Å; S133-D135 VanDerWaalsContact C-N 3.29Å; S133-D135 PolarHBondContact O-N 3.01Å; S133-S136 PolarHBondContact O-N 2.72Å; S133-S136 PolarHBondContact O-OG 3.05Å; S133-L137 WeakPolarHBondContact O-CB 3.28Å; S133-L137 WeakPolarHBondContact O-CG 3.25Å; S133-L137 PolarHBondContact O-N 3.01Å; S133-L137 VanDerWaalsContact O-N 3.09Å
134	S	98.6	Very high	98.6	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.007	14%	0.141	C	C	.	.	H	α-helix	trans	-64.7	-32.2	-173.5	-78.6	0	0	0	0	112.8	N72 D129 R131 S138	N72-S134 PolarHBondContact ND2-OG 2.84Å; D129-S134 PolarHBondContact OD1-OG 3.28Å; R131-S134 VanDerWaalsContact O-CB 3.24Å; R131-S134 WeakPolarHBondContact O-CB 3.49Å; R131-S134 PolarHBondContact O-N 3.18Å; S134-S138 WeakPolarHBondContact O-CB 3.39Å; S134-S138 PolarHBondContact O-N 3.46Å; S134-S138 PolarHBondContact O-OG 3.29Å
135	D	98.4	Very high	98.6	Very high	105 Å²	105	24.6 Å²	24.6	56%	0.561	14%	0.141	S	C	*	.	H	α-helix	trans	-61.9	-56.5	177.1	-76.7	-26.8	0	0	0	112.3	K128 S133 L137 S138 Q139	K128-D135 WeakPolarHBondContact CE-OD1 3.29Å; K128-D135 IonicContact NZ-OD1 3.9Å; K128-D135 PolarHBondContact NZ-OD1 2.9Å; S133-D135 VanDerWaalsContact C-N 3.29Å; S133-D135 PolarHBondContact O-N 3.01Å; D135-L137 VanDerWaalsContact C-N 3.35Å; D135-L137 PolarHBondContact O-N 2.91Å; D135-S138 PolarHBondContact O-N 3.39Å; D135-S138 PolarHBondContact O-OG 2.96Å; D135-Q139 PolarHBondContact O-N 3.37Å; D135-Q139 VanDerWaalsContact O-N 3.12Å
136	S	98.4	Very high	98.6	Very high	72 Å²	72	28 Å²	28	50%	0.503	16%	0.157	S	C	.	.	H	α-helix	trans	-65	-39	180	56.8	0	0	0	0	112.3	S133 Q139 A140	S133-S136 PolarHBondContact O-N 2.72Å; S133-S136 PolarHBondContact O-OG 3.05Å; S136-Q139 WeakPolarHBondContact O-CB 3.27Å; S136-Q139 PolarHBondContact O-N 3.4Å; S136-A140 PolarHBondContact O-N 2.98Å
137	L	98.8	Very high	98.5	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.021	16%	0.158	C	C	.	.	H	α-helix	trans	-69.1	-36.9	179.7	-68.2	175.5	0	0	0	112.2	L36 M40 V62 N72 S133 D135 Q139 A140 V141	L36-L137 HydrophobicContact CB-CD1 4.4Å; L36-L137 HydrophobicContact CB-CD2 3.94Å; M40-L137 HydrophobicContact CE-CB 3.96Å; M40-L137 HydrophobicContact CE-CD1 3.8Å; M40-L137 HydrophobicContact CE-CD2 4.23Å; M40-L137 HydrophobicContact CE-CG 4.21Å; M40-L137 HydrophobicContact CG-CB 3.8Å; M40-L137 HydrophobicContact CG-CD2 3.6Å; M40-L137 HydrophobicContact CG-CG 4.2Å; M40-L137 HydrophobicContact SD-CB 4.32Å; V62-L137 HydrophobicContact CG1-CB 3.98Å; N72-L137 HydrophobicContact CB-CD1 3.57Å; S133-L137 WeakPolarHBondContact O-CB 3.28Å; S133-L137 WeakPolarHBondContact O-CG 3.25Å; S133-L137 PolarHBondContact O-N 3.01Å; S133-L137 VanDerWaalsContact O-N 3.09Å; D135-L137 VanDerWaalsContact C-N 3.35Å; D135-L137 PolarHBondContact O-N 2.91Å; L137-Q139 VanDerWaalsContact C-N 3.31Å; L137-Q139 PolarHBondContact O-N 3.09Å; L137-A140 PolarHBondContact O-N 3.3Å; L137-V141 PolarHBondContact O-N 2.91Å; L137-V141 VanDerWaalsContact O-N 3.16Å
138	S	98.7	Very high	98.5	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.021	16%	0.161	C	C	.	.	H	α-helix	trans	-64.7	-36.4	172.4	67.8	0	0	0	0	112.2	K128 S134 D135 V141 L142	K128-S138 WeakPolarHBondContact CD-OG 3.12Å; K128-S138 PolarHBondContact NZ-OG 2.77Å; K128-S138 VanDerWaalsContact NZ-OG 3.15Å; S134-S138 WeakPolarHBondContact O-CB 3.39Å; S134-S138 PolarHBondContact O-N 3.46Å; S134-S138 PolarHBondContact O-OG 3.29Å; D135-S138 PolarHBondContact O-N 3.39Å; D135-S138 PolarHBondContact O-OG 2.96Å; S138-V141 WeakPolarHBondContact O-CB 3.27Å; S138-V141 PolarHBondContact O-N 3.23Å; S138-L142 WeakPolarHBondContact O-CG 3.13Å; S138-L142 PolarHBondContact O-N 3.07Å; S138-L142 VanDerWaalsContact O-N 3.09Å
139	Q	98.8	Very high	98.3	Very high	94 Å²	94	30.3 Å²	30.3	44%	0.439	18%	0.183	S	C	.	.	H	α-helix	trans	-63.7	-42.2	173.8	-173.4	58.2	52.1	0	0	111.8	D135 S136 L137 V141 L142 D143	D135-Q139 PolarHBondContact O-N 3.37Å; D135-Q139 VanDerWaalsContact O-N 3.12Å; S136-Q139 WeakPolarHBondContact O-CB 3.27Å; S136-Q139 PolarHBondContact O-N 3.4Å; L137-Q139 VanDerWaalsContact C-N 3.31Å; L137-Q139 PolarHBondContact O-N 3.09Å; Q139-V141 VanDerWaalsContact C-N 3.31Å; Q139-V141 PolarHBondContact O-N 3.36Å; Q139-L142 WeakPolarHBondContact O-CB 3.46Å; Q139-L142 PolarHBondContact O-N 3.45Å; Q139-L142 VanDerWaalsContact O-N 3.09Å; Q139-D143 PolarHBondContact NE2-OD1 2.79Å; Q139-D143 PolarHBondContact O-N 3.44Å
140	A	98.8	Very high	98.3	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.008	19%	0.185	C	C	.	.	H	α-helix	trans	-60.5	-39.7	176	0	0	0	0	0	112	M40 F41 S136 L137 L142 D143 G144	M40-A140 HydrophobicContact CB-CB 3.67Å; F41-A140 VanDerWaalsContact CA-O 3.23Å; F41-A140 WeakPolarHBondContact CA-O 3.34Å; S136-A140 PolarHBondContact O-N 2.98Å; L137-A140 PolarHBondContact O-N 3.3Å; A140-L142 PolarHBondContact O-N 2.75Å; A140-D143 PolarHBondContact O-N 3.29Å; A140-G144 PolarHBondContact O-N 2.88Å; A140-G144 VanDerWaalsContact O-N 3.08Å
141	V	98.9	Very high	98.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-57.6	-49	171.5	174.7	0	0	0	0	110.9	M40 G44 V60 V62 V126 L137 S138 Q139 D143 G144 V145	M40-V141 HydrophobicContact CB-CG2 3.87Å; M40-V141 HydrophobicContact CG-CG2 4.45Å; M40-V141 HydrophobicContact SD-CG2 4.12Å; G44-V141 WeakPolarHBondContact CA-O 3.24Å; V60-V141 HydrophobicContact CB-CG1 3.94Å; V60-V141 HydrophobicContact CG1-CB 4.49Å; V60-V141 HydrophobicContact CG1-CG1 3.68Å; V60-V141 HydrophobicContact CG1-CG2 3.96Å; V60-V141 HydrophobicContact CG2-CG1 4.1Å; V62-V141 HydrophobicContact CG2-CG2 4.15Å; V126-V141 HydrophobicContact CG1-CG1 4.41Å; V126-V141 HydrophobicContact CG2-CG1 3.94Å; L137-V141 PolarHBondContact O-N 2.91Å; L137-V141 VanDerWaalsContact O-N 3.16Å; S138-V141 WeakPolarHBondContact O-CB 3.27Å; S138-V141 PolarHBondContact O-N 3.23Å; Q139-V141 VanDerWaalsContact C-N 3.31Å; Q139-V141 PolarHBondContact O-N 3.36Å; V141-D143 VanDerWaalsContact C-N 3.35Å; V141-D143 PolarHBondContact O-N 2.88Å; V141-G144 PolarHBondContact O-N 3.32Å; V141-G144 VanDerWaalsContact O-N 3.16Å; V141-V145 HydrophobicContact CG1-CG2 4.44Å; V141-V145 WeakPolarHBondContact O-CG2 3.48Å; V141-V145 PolarHBondContact O-N 3.14Å
142	L	98.8	Very high	98.3	Very high	12 Å²	12	35.6 Å²	35.6	6%	0.063	21%	0.211	C	C	.	.	H	α-helix	trans	-61.2	-42.5	-179.6	-66.8	170.7	0	0	0	111.8	V126 S138 Q139 A140 G144 V145 H146 D154	V126-L142 HydrophobicContact CB-CD2 4.34Å; V126-L142 HydrophobicContact CG2-CD2 3.78Å; S138-L142 WeakPolarHBondContact O-CG 3.13Å; S138-L142 PolarHBondContact O-N 3.07Å; S138-L142 VanDerWaalsContact O-N 3.09Å; Q139-L142 WeakPolarHBondContact O-CB 3.46Å; Q139-L142 PolarHBondContact O-N 3.45Å; Q139-L142 VanDerWaalsContact O-N 3.09Å; A140-L142 PolarHBondContact O-N 2.75Å; L142-G144 VanDerWaalsContact C-N 3.26Å; L142-G144 PolarHBondContact O-N 2.88Å; L142-V145 PolarHBondContact O-N 3.4Å; L142-V145 VanDerWaalsContact O-N 3.09Å; L142-H146 PolarHBondContact O-N 3.36Å; L142-D154 HydrophobicContact CD1-CB 4.45Å
143	D	98.7	Very high	98.3	Very high	28 Å²	28	35.1 Å²	35.1	15%	0.15	20%	0.199	C	C	.	.	H	α-helix	trans	-58.6	-40.4	175.6	-71	-18.9	0	0	0	111.2	H14 F41 Q139 A140 V141 A147	H14-D143 IonicContact CE1-OD2 3.55Å; H14-D143 IonicContact NE2-OD2 2.74Å; H14-D143 PolarHBondContact NE2-OD2 3Å; F41-D143 HydrophobicContact CD2-CB 4.15Å; F41-D143 HydrophobicContact CE2-CB 4.49Å; Q139-D143 PolarHBondContact NE2-OD1 2.79Å; Q139-D143 PolarHBondContact O-N 3.44Å; A140-D143 PolarHBondContact O-N 3.29Å; V141-D143 VanDerWaalsContact C-N 3.35Å; V141-D143 PolarHBondContact O-N 2.88Å; D143-A147 WeakPolarHBondContact O-CB 3.4Å; D143-A147 PolarHBondContact O-N 3.03Å
144	G	98.7	Very high	98.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.3	-42.8	173.1	0	0	0	0	0	113.1	F41 L45 A140 V141 L142	F41-G144 VanDerWaalsContact CD2-CA 3.45Å; F41-G144 VanDerWaalsContact CD2-N 3.34Å; F41-G144 VanDerWaalsContact CE2-CA 3.48Å; F41-G144 WeakPolarHBondContact O-CA 3.46Å; L45-G144 WeakPolarHBondContact CD2-O 3.39Å; A140-G144 PolarHBondContact O-N 2.88Å; A140-G144 VanDerWaalsContact O-N 3.08Å; V141-G144 PolarHBondContact O-N 3.32Å; V141-G144 VanDerWaalsContact O-N 3.16Å; L142-G144 VanDerWaalsContact C-N 3.26Å; L142-G144 PolarHBondContact O-N 2.88Å
145	V	98.7	Very high	98.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.9	-48.3	177.6	173.6	0	0	0	0	110.8	T48 V124 V141 L142 L148 G150	T48-V145 WeakPolarHBondContact OG1-CA 3.49Å; V124-V145 HydrophobicContact CB-CG1 4.12Å; V124-V145 HydrophobicContact CB-CG2 3.98Å; V124-V145 HydrophobicContact CG1-CG2 3.92Å; V124-V145 HydrophobicContact CG2-CG1 4.08Å; V124-V145 HydrophobicContact CG2-CG2 4.05Å; V141-V145 HydrophobicContact CG1-CG2 4.44Å; V141-V145 WeakPolarHBondContact O-CG2 3.48Å; V141-V145 PolarHBondContact O-N 3.14Å; L142-V145 PolarHBondContact O-N 3.4Å; L142-V145 VanDerWaalsContact O-N 3.09Å; V145-L148 PolarHBondContact O-N 3.12Å; V145-G150 WeakPolarHBondContact O-CA 3.38Å; V145-G150 PolarHBondContact O-N 3.17Å
146	H	98.2	Very high	98.3	Very high	79 Å²	79	35.2 Å²	35.2	37%	0.366	20%	0.2	S	C	.	.	H	α-helix	trans	-68	-40	-177.8	-63.5	162.2	0	0	0	112.4	L142 L148 G149 S152	L142-H146 PolarHBondContact O-N 3.36Å; H146-L148 PolarHBondContact O-N 2.9Å; H146-G149 PolarHBondContact O-N 3.39Å; H146-S152 PolarHBondContact NE2-OG 3.48Å
147	A	97.9	Very high	98.3	Very high	3 Å²	3	35.2 Å²	35.2	3%	0.025	19%	0.194	C	C	.	.	H	α-helix	trans	-60.3	-21.2	-179.9	0	0	0	0	0	113.8	E6 V7 K10 F41 L45 D143	E6-A147 HydrophobicContact CG-CB 4.19Å; V7-A147 HydrophobicContact CG2-CB 4.18Å; V7-A147 WeakPolarHBondContact CG2-O 3.05Å; K10-A147 HydrophobicContact CB-CB 4.2Å; K10-A147 HydrophobicContact CG-CB 4.18Å; F41-A147 HydrophobicContact CE2-CB 4.15Å; F41-A147 HydrophobicContact CZ-CB 4.3Å; L45-A147 HydrophobicContact CD2-CB 4.41Å; D143-A147 WeakPolarHBondContact O-CB 3.4Å; D143-A147 PolarHBondContact O-N 3.03Å
148	L	96.8	Very high	98.3	Very high	12 Å²	12	35 Å²	35	6%	0.063	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	17.5	175.6	-160.7	63.5	0	0	0	113	F4 V7 L45 T48 L49 M118 V145 H146 G150	F4-L148 HydrophobicContact CD1-CD1 3.92Å; F4-L148 HydrophobicContact CE1-CD1 3.66Å; V7-L148 HydrophobicContact CG2-CB 4.47Å; V7-L148 HydrophobicContact CG2-CD1 3.98Å; L45-L148 HydrophobicContact CD2-CB 3.86Å; L45-L148 HydrophobicContact CD2-CD2 4.39Å; T48-L148 HydrophobicContact CG2-CB 3.94Å; T48-L148 HydrophobicContact CG2-CD2 3.92Å; T48-L148 HydrophobicContact CG2-CG 4Å; L49-L148 HydrophobicContact CD2-CD2 3.65Å; L49-L148 HydrophobicContact CG-CD2 3.74Å; M118-L148 HydrophobicContact CE-CD1 3.81Å; M118-L148 HydrophobicContact CE-CG 4.15Å; V145-L148 PolarHBondContact O-N 3.12Å; H146-L148 PolarHBondContact O-N 2.9Å; L148-G150 VanDerWaalsContact C-N 3.33Å; L148-G150 PolarHBondContact O-N 3.05Å
149	G	96.2	Very high	98.3	Very high	53 Å²	53	34.9 Å²	34.9	55%	0.546	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	27.2	176.4	0	0	0	0	0	114.3	H146	H146-G149 PolarHBondContact O-N 3.39Å
150	G	97.5	Very high	98.3	Very high	5 Å²	5	30.5 Å²	30.5	5%	0.052	17%	0.171	C	C	.	.			trans	-84.5	146.8	174.2	0	0	0	0	0	112.5	V145 L148	V145-G150 WeakPolarHBondContact O-CA 3.38Å; V145-G150 PolarHBondContact O-N 3.17Å; L148-G150 VanDerWaalsContact C-N 3.33Å; L148-G150 PolarHBondContact O-N 3.05Å
151	H	98.3	Very high	98.3	Very high	117 Å²	117	30.4 Å²	30.4	54%	0.542	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	137.9	168	-60.6	-68.5	0	0	0	109.9	A122 S123 V124	A122-H151 WeakPolarHBondContact O-CB 3.33Å; A122-H151 PolarHBondContact O-N 2.97Å; S123-H151 CarbonylContact C-O 3.24Å; S123-H151 WeakPolarHBondContact CA-O 3.23Å; V124-H151 PolarHBondContact N-O 3.36Å
152	S	98.2	Very high	98.3	Very high	44 Å²	44	30.4 Å²	30.4	31%	0.308	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	146.7	178.4	62.5	0	0	0	0	112.1	V124 H146	V124-S152 CarbonylContact O-C 3.59Å; V124-S152 WeakPolarHBondContact O-CA 3.19Å; H146-S152 PolarHBondContact NE2-OG 3.48Å
153	K	98.6	Very high	98.3	Very high	87 Å²	87	29.9 Å²	29.9	38%	0.378	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	114.7	161.9	-177	177.2	179.3	-176.3	0	108.9	V124 F125 V126 Y155	V124-K153 PolarHBondContact O-N 2.85Å; F125-K153 WeakPolarHBondContact CA-O 3.41Å; F125-K153 HydrophobicContact CD1-CB 3.6Å; F125-K153 HydrophobicContact CD1-CD 4.32Å; F125-K153 HydrophobicContact CD1-CG 4.47Å; F125-K153 HydrophobicContact CE1-CB 3.71Å; F125-K153 HydrophobicContact CE1-CD 3.82Å; F125-K153 HydrophobicContact CE1-CG 4.38Å; F125-K153 HydrophobicContact CZ-CD 4.07Å; V126-K153 PolarHBondContact N-O 3.07Å; K153-Y155 HydrophobicContact CB-CE2 4.41Å; K153-Y155 HydrophobicContact CD-CD2 4.41Å; K153-Y155 HydrophobicContact CD-CE1 4.38Å; K153-Y155 HydrophobicContact CD-CE2 3.59Å; K153-Y155 WeakPolarHBondContact CE-OH 3.42Å; K153-Y155 HydrophobicContact CG-CD2 4.22Å; K153-Y155 HydrophobicContact CG-CE2 3.85Å; K153-Y155 PolarHBondContact NZ-OH 3.36Å
154	D	98.5	Very high	98.3	Very high	74 Å²	74	28.6 Å²	28.6	40%	0.396	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	118.5	174	-174.2	9.2	0	0	0	109.6	L142 G156	L142-D154 HydrophobicContact CD1-CB 4.45Å; D154-G156 WeakPolarHBondContact OD1-CA 3.33Å; D154-G156 PolarHBondContact OD1-N 3.11Å
155	Y	98.6	Very high	98.3	Very high	35 Å²	35	28.7 Å²	28.7	14%	0.137	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-6.2	174	-78	-87.3	0	0	0	112.6	F125 V126 K153 L163 M166 A179	F125-Y155 HydrophobicContact CB-CD2 4.27Å; F125-Y155 HydrophobicContact CB-CE2 4.04Å; F125-Y155 HydrophobicContact CD1-CE2 4.12Å; F125-Y155 HydrophobicContact CD2-CD2 4.43Å; F125-Y155 AromaticContact CD2-CE2 3.46Å; F125-Y155 HydrophobicContact CD2-CE2 3.46Å; F125-Y155 VanDerWaalsContact CD2-CE2 3.46Å; F125-Y155 HydrophobicContact CE1-CE2 4.41Å; F125-Y155 AromaticContact CE2-CE2 3.79Å; F125-Y155 HydrophobicContact CE2-CE2 3.79Å; F125-Y155 WeakPolarHBondContact CE2-OH 3.4Å; F125-Y155 HydrophobicContact CG-CD2 4.34Å; F125-Y155 AromaticContact CG-CE2 3.63Å; F125-Y155 HydrophobicContact CG-CE2 3.63Å; F125-Y155 HydrophobicContact CZ-CE2 4.25Å; V126-Y155 PolarHBondContact O-N 2.81Å; K153-Y155 HydrophobicContact CB-CE2 4.41Å; K153-Y155 HydrophobicContact CD-CD2 4.41Å; K153-Y155 HydrophobicContact CD-CE1 4.38Å; K153-Y155 HydrophobicContact CD-CE2 3.59Å; K153-Y155 WeakPolarHBondContact CE-OH 3.42Å; K153-Y155 HydrophobicContact CG-CD2 4.22Å; K153-Y155 HydrophobicContact CG-CE2 3.85Å; K153-Y155 PolarHBondContact NZ-OH 3.36Å; Y155-L163 HydrophobicContact CD2-CD1 4.44Å; Y155-M166 HydrophobicContact CD1-CE 3.61Å; Y155-M166 HydrophobicContact CD1-SD 3.26Å; Y155-M166 WeakPolarHBondContact CD1-SD 3.4Å; Y155-M166 HydrophobicContact CD2-CE 4.05Å; Y155-M166 HydrophobicContact CD2-SD 4.4Å; Y155-M166 HydrophobicContact CE1-CB 4.48Å; Y155-M166 HydrophobicContact CE1-CE 3.97Å; Y155-M166 HydrophobicContact CE1-CG 4.22Å; Y155-M166 HydrophobicContact CE1-SD 3.09Å; Y155-M166 WeakPolarHBondContact CE1-SD 3.28Å; Y155-M166 HydrophobicContact CE2-CB 4.4Å; Y155-M166 HydrophobicContact CE2-CE 4.39Å; Y155-M166 HydrophobicContact CE2-SD 4.29Å; Y155-M166 HydrophobicContact CG-CE 3.61Å; Y155-M166 HydrophobicContact CG-SD 3.91Å; Y155-A179 PolarHBondContact OH-O 2.95Å
156	G	98.5	Very high	98.3	Very high	17 Å²	17	28.7 Å²	28.7	18%	0.175	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	63.3	-135.1	-178.5	0	0	0	0	0	111.8	K128 D154 V158	K128-G156 PolarHBondContact N-O 2.99Å; D154-G156 WeakPolarHBondContact OD1-CA 3.33Å; D154-G156 PolarHBondContact OD1-N 3.11Å; G156-V158 PolarHBondContact O-N 3.27Å
157	L	98.7	Very high	98.4	Very high	72 Å²	72	25 Å²	25	38%	0.377	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	110.7	-179.3	-69.7	178.7	0	0	0	110.9	K128 D129 T130 I217 K221	K128-L157 HydrophobicContact CG-CD2 4.24Å; K128-L157 WeakPolarHBondContact O-CA 3.32Å; D129-L157 VanDerWaalsContact O-CD2 3.23Å; D129-L157 WeakPolarHBondContact O-CD2 3.14Å; T130-L157 HydrophobicContact CG2-CD2 4.29Å; L157-I217 HydrophobicContact CB-CD1 3.76Å; L157-I217 HydrophobicContact CD2-CD1 4.4Å; L157-K221 WeakPolarHBondContact O-CE 3.24Å; L157-K221 PolarHBondContact O-NZ 2.88Å
158	V	98.9	Very high	98.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.145	C	C	.	.			trans	-146.5	154.6	177.6	-67.7	0	0	0	0	110.5	M61 K128 G156 Q162 L163 M166 V181 I217	M61-V158 WeakPolarHBondContact CE-O 3.18Å; M61-V158 HydrophobicContact SD-CG2 4.4Å; K128-V158 PolarHBondContact O-N 3.19Å; K128-V158 VanDerWaalsContact O-N 3.08Å; G156-V158 PolarHBondContact O-N 3.27Å; V158-Q162 HydrophobicContact CB-CB 4.04Å; V158-L163 HydrophobicContact CG2-CB 4.32Å; V158-M166 HydrophobicContact CB-CE 4.48Å; V158-M166 HydrophobicContact CG1-CE 4.05Å; V158-M166 HydrophobicContact CG2-CE 4.49Å; V158-V181 HydrophobicContact CG1-CG2 3.91Å; V158-I217 WeakPolarHBondContact O-CG1 3.03Å
159	T	98.9	Very high	98.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.143	C	C	.	.			trans	-68.8	159.2	169.1	71.6	0	0	0	0	110.4	P161 Q162 L163 I217 K221 D279 A280 I423	T159-P161 WeakPolarHBondContact OG1-CD 2.98Å; T159-Q162 PolarHBondContact O-N 3.29Å; T159-Q162 WeakPolarHBondContact OG1-CB 3.25Å; T159-Q162 VanDerWaalsContact OG1-CG 3.24Å; T159-Q162 WeakPolarHBondContact OG1-CG 3.45Å; T159-Q162 PolarHBondContact OG1-N 3.1Å; T159-Q162 VanDerWaalsContact OG1-N 3.15Å; T159-L163 PolarHBondContact O-N 3.45Å; T159-I217 HydrophobicContact CG2-CG2 4.25Å; T159-K221 HydrophobicContact CG2-CB 3.91Å; T159-K221 HydrophobicContact CG2-CG 3.81Å; T159-D279 WeakPolarHBondContact CB-O 3.18Å; T159-A280 HydrophobicContact CG2-CB 3.92Å; T159-I423 HydrophobicContact CG2-CD1 4.22Å
160	T	98.8	Very high	98.6	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	14%	0.136	C	C	.	.	H	α-helix	trans	-54.1	-49.5	172.1	-75	0	0	0	0	111.1	M61 K75 Q162 L163 H164 D279 D281	M61-T160 WeakPolarHBondContact CG-OG1 3.38Å; K75-T160 HydrophobicContact CD-CG2 4.47Å; T160-Q162 VanDerWaalsContact C-N 3.31Å; T160-Q162 PolarHBondContact O-N 2.93Å; T160-L163 PolarHBondContact O-N 2.9Å; T160-H164 PolarHBondContact O-CD2 2.87Å; T160-H164 PolarHBondContact O-N 2.81Å; T160-D279 WeakPolarHBondContact CB-OD2 3.31Å; T160-D279 PolarHBondContact N-O 3.24Å; T160-D279 VanDerWaalsContact N-O 3.11Å; T160-D279 PolarHBondContact OG1-OD2 3.35Å; T160-D281 HydrophobicContact CG2-CB 4.34Å
161	P	98.8	Very high	98.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.6	-33	178.6	-23.6	31.8	0	0	0	115.2	T159 H164 Y165 A280 D281 V419 G420 D421	T159-P161 WeakPolarHBondContact OG1-CD 2.98Å; P161-H164 PolarHBondContact O-N 2.84Å; P161-Y165 WeakPolarHBondContact O-CB 3.28Å; P161-Y165 PolarHBondContact O-N 2.87Å; P161-A280 WeakPolarHBondContact CG-O 3.07Å; P161-D281 HydrophobicContact CG-CB 4.4Å; P161-V419 HydrophobicContact CB-CG1 4.14Å; P161-V419 HydrophobicContact CG-CG1 4.46Å; P161-G420 WeakPolarHBondContact CG-O 3.39Å; P161-D421 HydrophobicContact CB-CB 3.57Å; P161-D421 VanDerWaalsContact CB-OD2 3.29Å; P161-D421 WeakPolarHBondContact CB-OD2 3.41Å; P161-D421 HydrophobicContact CG-CB 3.81Å
162	Q	98.9	Very high	98.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.3	-43.6	176	-80.8	176.3	-21.6	0	0	111.2	V158 T159 T160 Y165 M166 Y184 Y185	V158-Q162 HydrophobicContact CB-CB 4.04Å; T159-Q162 PolarHBondContact O-N 3.29Å; T159-Q162 WeakPolarHBondContact OG1-CB 3.25Å; T159-Q162 VanDerWaalsContact OG1-CG 3.24Å; T159-Q162 WeakPolarHBondContact OG1-CG 3.45Å; T159-Q162 PolarHBondContact OG1-N 3.1Å; T159-Q162 VanDerWaalsContact OG1-N 3.15Å; T160-Q162 VanDerWaalsContact C-N 3.31Å; T160-Q162 PolarHBondContact O-N 2.93Å; Q162-Y165 PolarHBondContact O-N 3.17Å; Q162-M166 HydrophobicContact CB-CE 4.35Å; Q162-M166 VanDerWaalsContact O-CE 3.23Å; Q162-M166 WeakPolarHBondContact O-CE 3.42Å; Q162-M166 VanDerWaalsContact O-CG 3.27Å; Q162-M166 WeakPolarHBondContact O-CG 3.18Å; Q162-M166 PolarHBondContact O-N 3.18Å; Q162-Y184 HydrophobicContact CG-CD1 3.77Å; Q162-Y184 HydrophobicContact CG-CD2 4.16Å; Q162-Y184 HydrophobicContact CG-CE1 3.79Å; Q162-Y184 HydrophobicContact CG-CE2 4.16Å; Q162-Y184 HydrophobicContact CG-CG 3.97Å; Q162-Y185 VanDerWaalsContact NE2-CE1 3.28Å; Q162-Y185 PolarHBondContact NE2-OH 2.65Å
163	L	98.9	Very high	98.6	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.4	-46.4	177	-174.7	67.4	0	0	0	111.3	V60 M61 V77 F125 Y155 V158 T159 T160 Y165 M166 V167	V60-L163 VanDerWaalsContact C-CD2 3.46Å; V60-L163 WeakPolarHBondContact O-CD2 3.5Å; M61-L163 HydrophobicContact CB-CD2 3.67Å; M61-L163 HydrophobicContact CG-CD2 4.36Å; M61-L163 HydrophobicContact SD-CB 4.15Å; M61-L163 HydrophobicContact SD-CD2 3.93Å; V77-L163 HydrophobicContact CG2-CD2 4.47Å; F125-L163 HydrophobicContact CB-CD1 4Å; Y155-L163 HydrophobicContact CD2-CD1 4.44Å; V158-L163 HydrophobicContact CG2-CB 4.32Å; T159-L163 PolarHBondContact O-N 3.45Å; T160-L163 PolarHBondContact O-N 2.9Å; L163-Y165 VanDerWaalsContact C-N 3.33Å; L163-Y165 PolarHBondContact O-N 3.35Å; L163-M166 HydrophobicContact CD1-CE 4.38Å; L163-M166 PolarHBondContact O-N 3.32Å; L163-M166 VanDerWaalsContact O-N 3.17Å; L163-V167 WeakPolarHBondContact O-CG2 3.48Å; L163-V167 PolarHBondContact O-N 2.96Å
164	H	98.8	Very high	98.3	Very high	1 Å²	1	27 Å²	27	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-58.9	-43.5	177.5	-75.7	-121.6	0	0	0	112	V77 G81 T160 P161 M166 V167 C168 T418 V419	V77-H164 HydrophobicContact CG1-CB 4.41Å; V77-H164 VanDerWaalsContact CG2-NE2 3.32Å; V77-H164 WeakPolarHBondContact CG2-NE2 3.48Å; G81-H164 PolarHBondContact O-ND1 3.47Å; T160-H164 PolarHBondContact O-CD2 2.87Å; T160-H164 PolarHBondContact O-N 2.81Å; P161-H164 PolarHBondContact O-N 2.84Å; H164-M166 PolarHBondContact O-N 3.26Å; H164-V167 PolarHBondContact O-N 3Å; H164-C168 WeakPolarHBondContact O-CB 3.37Å; H164-C168 PolarHBondContact O-N 3.36Å; H164-T418 WeakPolarHBondContact CB-OG1 3.23Å; H164-V419 HydrophobicContact CB-CB 4.4Å; H164-V419 HydrophobicContact CB-CG1 3.61Å
165	Y	98.8	Very high	98.2	Very high	3 Å²	3	33.3 Å²	33.3	1%	0.012	17%	0.167	C	C	.	.	H	α-helix	trans	-57.6	-48.1	173.7	167.5	-92.1	0	0	0	111.7	P161 Q162 L163 V167 C168 C169 Y176 G177 E178 G183 Y184 K187	P161-Y165 WeakPolarHBondContact O-CB 3.28Å; P161-Y165 PolarHBondContact O-N 2.87Å; Q162-Y165 PolarHBondContact O-N 3.17Å; L163-Y165 VanDerWaalsContact C-N 3.33Å; L163-Y165 PolarHBondContact O-N 3.35Å; Y165-V167 PolarHBondContact O-N 3.17Å; Y165-C168 PolarHBondContact O-N 2.93Å; Y165-C169 WeakPolarHBondContact CE2-SG 3.25Å; Y165-C169 WeakPolarHBondContact O-CB 3.45Å; Y165-C169 PolarHBondContact O-N 3.23Å; Y165-C169 PolarHBondContact O-SG 2.92Å; Y165-Y176 AromaticContact CD2-CD1 3.97Å; Y165-Y176 HydrophobicContact CD2-CD1 3.97Å; Y165-Y176 AromaticContact CD2-CE1 3.63Å; Y165-Y176 HydrophobicContact CD2-CE1 3.63Å; Y165-Y176 HydrophobicContact CE2-CD1 4.12Å; Y165-Y176 HydrophobicContact CE2-CE1 4.12Å; Y165-G177 WeakPolarHBondContact OH-CA 3.47Å; Y165-E178 WeakPolarHBondContact CE1-O 3.3Å; Y165-E178 PolarHBondContact OH-N 3.38Å; Y165-E178 VanDerWaalsContact OH-N 3.15Å; Y165-E178 PolarHBondContact OH-O 2.98Å; Y165-G183 PolarHBondContact OH-O 3.27Å; Y165-Y184 AromaticContact CD1-CD2 3.95Å; Y165-Y184 HydrophobicContact CD1-CD2 3.95Å; Y165-Y184 HydrophobicContact CD1-CG 4.32Å; Y165-Y184 HydrophobicContact CD2-CD2 4.13Å; Y165-Y184 AromaticContact CG-CD2 3.76Å; Y165-Y184 HydrophobicContact CG-CD2 3.76Å; Y165-K187 HydrophobicContact CE2-CD 3.65Å
166	M	98.8	Very high	98.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-68.2	-36.5	-176.5	-66.7	176.8	-61.3	0	0	112.6	F125 Y155 V158 Q162 L163 H164 Q170 V181	F125-M166 HydrophobicContact CD2-CB 4.44Å; Y155-M166 HydrophobicContact CD1-CE 3.61Å; Y155-M166 HydrophobicContact CD1-SD 3.26Å; Y155-M166 WeakPolarHBondContact CD1-SD 3.4Å; Y155-M166 HydrophobicContact CD2-CE 4.05Å; Y155-M166 HydrophobicContact CD2-SD 4.4Å; Y155-M166 HydrophobicContact CE1-CB 4.48Å; Y155-M166 HydrophobicContact CE1-CE 3.97Å; Y155-M166 HydrophobicContact CE1-CG 4.22Å; Y155-M166 HydrophobicContact CE1-SD 3.09Å; Y155-M166 WeakPolarHBondContact CE1-SD 3.28Å; Y155-M166 HydrophobicContact CE2-CB 4.4Å; Y155-M166 HydrophobicContact CE2-CE 4.39Å; Y155-M166 HydrophobicContact CE2-SD 4.29Å; Y155-M166 HydrophobicContact CG-CE 3.61Å; Y155-M166 HydrophobicContact CG-SD 3.91Å; V158-M166 HydrophobicContact CB-CE 4.48Å; V158-M166 HydrophobicContact CG1-CE 4.05Å; V158-M166 HydrophobicContact CG2-CE 4.49Å; Q162-M166 HydrophobicContact CB-CE 4.35Å; Q162-M166 VanDerWaalsContact O-CE 3.23Å; Q162-M166 WeakPolarHBondContact O-CE 3.42Å; Q162-M166 VanDerWaalsContact O-CG 3.27Å; Q162-M166 WeakPolarHBondContact O-CG 3.18Å; Q162-M166 PolarHBondContact O-N 3.18Å; L163-M166 HydrophobicContact CD1-CE 4.38Å; L163-M166 PolarHBondContact O-N 3.32Å; L163-M166 VanDerWaalsContact O-N 3.17Å; H164-M166 PolarHBondContact O-N 3.26Å; M166-Q170 WeakPolarHBondContact O-CB 3.23Å; M166-Q170 PolarHBondContact O-N 3.18Å; M166-V181 HydrophobicContact CE-CG2 4.48Å; M166-V181 HydrophobicContact SD-CG2 3.97Å
167	V	98.8	Very high	98	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.8	-50	172.7	172	0	0	0	0	110.5	V77 D78 F125 L163 H164 Y165 C169 Q170 N171	V77-V167 HydrophobicContact CG1-CB 4.43Å; V77-V167 HydrophobicContact CG1-CG1 4.33Å; V77-V167 HydrophobicContact CG1-CG2 4.49Å; D78-V167 WeakPolarHBondContact O-CG1 3.24Å; F125-V167 HydrophobicContact CB-CG2 4.19Å; F125-V167 HydrophobicContact CD2-CG2 4.11Å; L163-V167 WeakPolarHBondContact O-CG2 3.48Å; L163-V167 PolarHBondContact O-N 2.96Å; H164-V167 PolarHBondContact O-N 3Å; Y165-V167 PolarHBondContact O-N 3.17Å; V167-C169 PolarHBondContact O-N 3.26Å; V167-Q170 PolarHBondContact O-N 3.08Å; V167-N171 PolarHBondContact O-N 3.06Å; V167-N171 VanDerWaalsContact O-N 3.08Å; V167-N171 PolarHBondContact O-ND2 3.33Å; V167-N171 VanDerWaalsContact O-ND2 3.09Å
168	C	98.6	Very high	98	Very high	8 Å²	8	34.3 Å²	34.3	5%	0.054	17%	0.169	C	C	.	.	H	α-helix	trans	-61.8	-44.3	178.4	-176.1	0	0	0	0	112.1	M80 H164 Y165 Q170 N171 T172 Y176 T418	M80-C168 WeakPolarHBondContact O-CB 3.32Å; M80-C168 PolarHBondContact O-SG 3.45Å; H164-C168 WeakPolarHBondContact O-CB 3.37Å; H164-C168 PolarHBondContact O-N 3.36Å; Y165-C168 PolarHBondContact O-N 2.93Å; C168-Q170 VanDerWaalsContact C-N 3.34Å; C168-Q170 PolarHBondContact O-N 3.21Å; C168-N171 PolarHBondContact O-N 3.43Å; C168-T172 WeakPolarHBondContact O-CB 3.46Å; C168-T172 VanDerWaalsContact O-CG2 3.26Å; C168-T172 WeakPolarHBondContact O-CG2 3.39Å; C168-T172 PolarHBondContact O-N 2.99Å; C168-T172 PolarHBondContact O-OG1 3.49Å; C168-Y176 HydrophobicContact CB-CD1 4.05Å; C168-Y176 HydrophobicContact CB-CE1 4.42Å; C168-T418 HydrophobicContact CB-CG2 3.55Å
169	C	98.6	Very high	98	Very high	1 Å²	1	35 Å²	35	1%	0.007	18%	0.176	C	C	.	.	H	α-helix	trans	-58.9	-43.2	176.3	-73.6	0	0	0	0	112.6	Y165 V167 T172 Q173 G174 G177 A179	Y165-C169 WeakPolarHBondContact CE2-SG 3.25Å; Y165-C169 WeakPolarHBondContact O-CB 3.45Å; Y165-C169 PolarHBondContact O-N 3.23Å; Y165-C169 PolarHBondContact O-SG 2.92Å; V167-C169 PolarHBondContact O-N 3.26Å; C169-T172 PolarHBondContact O-OG1 2.93Å; C169-Q173 PolarHBondContact O-N 3.29Å; C169-G174 PolarHBondContact O-N 3.34Å; C169-G177 VanDerWaalsContact CB-O 3.27Å; C169-G177 WeakPolarHBondContact CB-O 3.43Å; C169-G177 VanDerWaalsContact SG-CA 3.57Å; C169-G177 PolarHBondContact SG-O 3.31Å; C169-A179 HydrophobicContact CB-CB 3.67Å
170	Q	98.5	Very high	97.9	Very high	87 Å²	87	36.9 Å²	36.9	41%	0.407	19%	0.187	S	C	.	.	H	α-helix	trans	-62.2	-48.3	178.1	179.2	62.5	30.8	0	0	111.1	T57 F125 M166 V167 C168 T172 Q173 A179	T57-Q170 HydrophobicContact CG2-CG 4.24Å; T57-Q170 WeakPolarHBondContact OG1-CG 3.31Å; F125-Q170 HydrophobicContact CE2-CB 3.71Å; F125-Q170 HydrophobicContact CE2-CG 3.99Å; F125-Q170 HydrophobicContact CZ-CB 3.95Å; F125-Q170 HydrophobicContact CZ-CG 3.7Å; M166-Q170 WeakPolarHBondContact O-CB 3.23Å; M166-Q170 PolarHBondContact O-N 3.18Å; V167-Q170 PolarHBondContact O-N 3.08Å; C168-Q170 VanDerWaalsContact C-N 3.34Å; C168-Q170 PolarHBondContact O-N 3.21Å; Q170-T172 PolarHBondContact O-N 3.45Å; Q170-Q173 PolarHBondContact O-N 2.89Å; Q170-A179 HydrophobicContact CB-CB 4.3Å
171	N	98.6	Very high	97.9	Very high	33 Å²	33	38.2 Å²	38.2	18%	0.176	20%	0.195	C	C	.	.	H	α-helix	trans	-77.2	-22.3	-175.6	-68	-44.3	0	0	0	113.8	A56 T57 P79 M80 V167 C168 Q173	A56-N171 WeakPolarHBondContact CB-OD1 3.39Å; T57-N171 PolarHBondContact N-OD1 3.35Å; T57-N171 PolarHBondContact O-ND2 3.46Å; P79-N171 VanDerWaalsContact CA-ND2 3.28Å; P79-N171 WeakPolarHBondContact CA-ND2 3.42Å; P79-N171 HydrophobicContact CB-CB 4.39Å; P79-N171 VanDerWaalsContact O-CB 3.32Å; P79-N171 WeakPolarHBondContact O-CB 3.26Å; P79-N171 PolarHBondContact O-ND2 3.23Å; M80-N171 HydrophobicContact CE-CB 3.78Å; V167-N171 PolarHBondContact O-N 3.06Å; V167-N171 VanDerWaalsContact O-N 3.08Å; V167-N171 PolarHBondContact O-ND2 3.33Å; V167-N171 VanDerWaalsContact O-ND2 3.09Å; C168-N171 PolarHBondContact O-N 3.43Å; N171-Q173 VanDerWaalsContact C-N 3.27Å
172	T	97.8	Very high	97.9	Very high	16 Å²	16	44.1 Å²	44.1	10%	0.098	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	4.1	172.6	59.4	0	0	0	0	113.2	M80 C168 C169 Q170 G174 R175 Y176	M80-T172 HydrophobicContact SD-CG2 4.13Å; C168-T172 WeakPolarHBondContact O-CB 3.46Å; C168-T172 VanDerWaalsContact O-CG2 3.26Å; C168-T172 WeakPolarHBondContact O-CG2 3.39Å; C168-T172 PolarHBondContact O-N 2.99Å; C168-T172 PolarHBondContact O-OG1 3.49Å; C169-T172 PolarHBondContact O-OG1 2.93Å; Q170-T172 PolarHBondContact O-N 3.45Å; T172-G174 VanDerWaalsContact C-N 3.3Å; T172-G174 PolarHBondContact O-N 3.33Å; T172-R175 WeakPolarHBondContact O-CB 3.38Å; T172-R175 WeakPolarHBondContact O-CG 3.39Å; T172-R175 PolarHBondContact O-N 2.99Å; T172-R175 PolarHBondContact O-NE 2.93Å; T172-Y176 WeakPolarHBondContact OG1-CB 3.41Å; T172-Y176 PolarHBondContact OG1-N 3.47Å
173	Q	96.8	Very high	97.9	Very high	175 Å²	175	44.3 Å²	44.3	82%	0.818	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.5	42.3	-179.1	-59.2	177.3	-29.6	0	0	112.3	C169 Q170 N171 R175	C169-Q173 PolarHBondContact O-N 3.29Å; Q170-Q173 PolarHBondContact O-N 2.89Å; N171-Q173 VanDerWaalsContact C-N 3.27Å; Q173-R175 VanDerWaalsContact C-N 3.3Å; Q173-R175 PolarHBondContact O-N 3.18Å
174	G	93.5	Very high	97.9	Very high	44 Å²	44	44.4 Å²	44.4	45%	0.454	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	-5.1	178.8	0	0	0	0	0	115.2	C169 T172 Y176 G177	C169-G174 PolarHBondContact O-N 3.34Å; T172-G174 VanDerWaalsContact C-N 3.3Å; T172-G174 PolarHBondContact O-N 3.33Å; G174-Y176 PolarHBondContact O-N 2.82Å; G174-G177 CarbonylContact C-O 3.59Å; G174-G177 VanDerWaalsContact CA-O 3.27Å; G174-G177 WeakPolarHBondContact CA-O 3.49Å; G174-G177 PolarHBondContact O-N 3.48Å
175	R	95.3	Very high	97.9	Very high	207 Å²	207	44.6 Å²	44.6	78%	0.781	22%	0.224	S	C	*	.	S	Bend	trans	-64.5	-36.7	-179.9	-70.9	-174.9	-69.3	159.2	-5.4	113.1	T172 Q173	T172-R175 WeakPolarHBondContact O-CB 3.38Å; T172-R175 WeakPolarHBondContact O-CG 3.39Å; T172-R175 PolarHBondContact O-N 2.99Å; T172-R175 PolarHBondContact O-NE 2.93Å; Q173-R175 VanDerWaalsContact C-N 3.3Å; Q173-R175 PolarHBondContact O-N 3.18Å
176	Y	96.6	Very high	97.9	Very high	39 Å²	39	49.2 Å²	49.2	15%	0.153	24%	0.241	C	C	.	.	S	Bend	trans	-77.5	-23.1	175.5	-171.3	-113.8	0	0	0	112.9	Y165 C168 T172 G174 K187 N416 Q417 T418	Y165-Y176 AromaticContact CD2-CD1 3.97Å; Y165-Y176 HydrophobicContact CD2-CD1 3.97Å; Y165-Y176 AromaticContact CD2-CE1 3.63Å; Y165-Y176 HydrophobicContact CD2-CE1 3.63Å; Y165-Y176 HydrophobicContact CE2-CD1 4.12Å; Y165-Y176 HydrophobicContact CE2-CE1 4.12Å; C168-Y176 HydrophobicContact CB-CD1 4.05Å; C168-Y176 HydrophobicContact CB-CE1 4.42Å; T172-Y176 WeakPolarHBondContact OG1-CB 3.41Å; T172-Y176 PolarHBondContact OG1-N 3.47Å; G174-Y176 PolarHBondContact O-N 2.82Å; Y176-K187 VanDerWaalsContact CE2-NZ 3.3Å; Y176-K187 VanDerWaalsContact CZ-NZ 3.3Å; Y176-K187 WeakPolarHBondContact O-CE 3.29Å; Y176-K187 PolarHBondContact O-NZ 2.87Å; Y176-N416 PolarHBondContact OH-OD1 3.12Å; Y176-N416 VanDerWaalsContact OH-OD1 3.11Å; Y176-Q417 PolarHBondContact OH-N 3.36Å; Y176-T418 HydrophobicContact CD1-CG2 4.46Å; Y176-T418 HydrophobicContact CE1-CG2 3.67Å
177	G	97.3	Very high	97.9	Very high	17 Å²	17	50.7 Å²	50.7	18%	0.175	25%	0.248	C	C	.	.			trans	153.3	179.1	-177	0	0	0	0	0	112.1	Y165 C169 G174	Y165-G177 WeakPolarHBondContact OH-CA 3.47Å; C169-G177 VanDerWaalsContact CB-O 3.27Å; C169-G177 WeakPolarHBondContact CB-O 3.43Å; C169-G177 VanDerWaalsContact SG-CA 3.57Å; C169-G177 PolarHBondContact SG-O 3.31Å; G174-G177 CarbonylContact C-O 3.59Å; G174-G177 VanDerWaalsContact CA-O 3.27Å; G174-G177 WeakPolarHBondContact CA-O 3.49Å; G174-G177 PolarHBondContact O-N 3.48Å
178	E	98.2	Very high	97.8	Very high	88 Å²	88	50.9 Å²	50.9	41%	0.411	25%	0.249	S	C	.	.			trans	-78.7	128.8	175.5	-174.6	-164.6	150.3	0	0	110	Y165 T180 R186	Y165-E178 WeakPolarHBondContact CE1-O 3.3Å; Y165-E178 PolarHBondContact OH-N 3.38Å; Y165-E178 VanDerWaalsContact OH-N 3.15Å; Y165-E178 PolarHBondContact OH-O 2.98Å; E178-T180 VanDerWaalsContact CD-OG1 3.27Å; E178-T180 HydrophobicContact CG-CG2 4.15Å; E178-T180 PolarHBondContact O-N 3.22Å; E178-T180 WeakPolarHBondContact OE1-CG2 3.4Å; E178-T180 PolarHBondContact OE1-OG1 3.23Å; E178-R186 IonicContact OE2-NH1 2.75Å; E178-R186 PolarHBondContact OE2-NH1 3.49Å
179	A	98.1	Very high	97.8	Very high	16 Å²	16	50.7 Å²	50.7	13%	0.132	25%	0.247	C	C	.	.	S	Bend	trans	-74.9	49.9	-176.8	0	0	0	0	0	113.8	Y155 C169 Q170	Y155-A179 PolarHBondContact OH-O 2.95Å; C169-A179 HydrophobicContact CB-CB 3.67Å; Q170-A179 HydrophobicContact CB-CB 4.3Å
180	T	98.5	Very high	97.8	Very high	39 Å²	39	56.2 Å²	56.2	24%	0.239	27%	0.273	C	S	.	.	S	Bend	trans	-137.6	157	178.8	68.6	0	0	0	0	110.4	E178 K182 G183 Y184	E178-T180 VanDerWaalsContact CD-OG1 3.27Å; E178-T180 HydrophobicContact CG-CG2 4.15Å; E178-T180 PolarHBondContact O-N 3.22Å; E178-T180 WeakPolarHBondContact OE1-CG2 3.4Å; E178-T180 PolarHBondContact OE1-OG1 3.23Å; T180-K182 PolarHBondContact O-N 3.3Å; T180-G183 WeakPolarHBondContact O-CA 3.24Å; T180-G183 PolarHBondContact O-N 2.97Å; T180-G183 PolarHBondContact OG1-N 2.87Å; T180-Y184 PolarHBondContact O-N 3.31Å
181	V	98.5	Very high	97.8	Very high	28 Å²	28	52.3 Å²	52.3	17%	0.17	26%	0.256	C	S	.	.	H	α-helix	trans	-58.6	-38.8	173.4	176.2	0	0	0	0	111.2	V158 M166 G183 Y184 Y185	V158-V181 HydrophobicContact CG1-CG2 3.91Å; M166-V181 HydrophobicContact CE-CG2 4.48Å; M166-V181 HydrophobicContact SD-CG2 3.97Å; V181-G183 VanDerWaalsContact C-N 3.35Å; V181-G183 PolarHBondContact O-N 3.36Å; V181-Y184 WeakPolarHBondContact O-CB 3.34Å; V181-Y184 PolarHBondContact O-N 2.92Å; V181-Y185 HydrophobicContact CG1-CD2 4.23Å; V181-Y185 HydrophobicContact CG1-CE1 4.19Å; V181-Y185 HydrophobicContact CG1-CE2 3.43Å; V181-Y185 VanDerWaalsContact CG1-CE2 3.43Å; V181-Y185 VanDerWaalsContact CG1-OH 3.27Å; V181-Y185 WeakPolarHBondContact CG1-OH 3.36Å; V181-Y185 WeakPolarHBondContact O-CD2 3.43Å; V181-Y185 PolarHBondContact O-N 3.38Å; V181-Y185 VanDerWaalsContact O-N 3.09Å
182	K	98.4	Very high	97.8	Very high	125 Å²	125	50.8 Å²	50.8	54%	0.543	25%	0.247	S	C	.	.	H	α-helix	trans	-65.6	-37.8	173.6	-65.9	-176.1	-178.4	178.7	0	112.2	T180 Y184 Y185 R186	T180-K182 PolarHBondContact O-N 3.3Å; K182-Y184 VanDerWaalsContact C-N 3.33Å; K182-Y185 PolarHBondContact O-N 3.21Å; K182-R186 WeakPolarHBondContact O-CB 3.28Å; K182-R186 VanDerWaalsContact O-CG 3.27Å; K182-R186 WeakPolarHBondContact O-CG 3.37Å; K182-R186 PolarHBondContact O-N 2.88Å
183	G	98.5	Very high	97.7	Very high	4 Å²	4	51.3 Å²	51.3	4%	0.041	25%	0.249	C	C	.	.	H	α-helix	trans	-58.1	-45.4	173.4	0	0	0	0	0	112.2	Y165 T180 V181 R186 K187	Y165-G183 PolarHBondContact OH-O 3.27Å; T180-G183 WeakPolarHBondContact O-CA 3.24Å; T180-G183 PolarHBondContact O-N 2.97Å; T180-G183 PolarHBondContact OG1-N 2.87Å; V181-G183 VanDerWaalsContact C-N 3.35Å; V181-G183 PolarHBondContact O-N 3.36Å; G183-R186 PolarHBondContact O-N 3.41Å; G183-K187 WeakPolarHBondContact O-CB 3.34Å; G183-K187 PolarHBondContact O-N 3.48Å
184	Y	98.8	Very high	97.7	Very high	1 Å²	1	46.7 Å²	46.7	0%	0.004	23%	0.228	C	C	.	.	H	α-helix	trans	-57.2	-53.8	173.8	174.4	-93.9	0	0	0	111.6	Q162 Y165 T180 V181 K182 R186 K187 L188 D421	Q162-Y184 HydrophobicContact CG-CD1 3.77Å; Q162-Y184 HydrophobicContact CG-CD2 4.16Å; Q162-Y184 HydrophobicContact CG-CE1 3.79Å; Q162-Y184 HydrophobicContact CG-CE2 4.16Å; Q162-Y184 HydrophobicContact CG-CG 3.97Å; Y165-Y184 AromaticContact CD1-CD2 3.95Å; Y165-Y184 HydrophobicContact CD1-CD2 3.95Å; Y165-Y184 HydrophobicContact CD1-CG 4.32Å; Y165-Y184 HydrophobicContact CD2-CD2 4.13Å; Y165-Y184 AromaticContact CG-CD2 3.76Å; Y165-Y184 HydrophobicContact CG-CD2 3.76Å; T180-Y184 PolarHBondContact O-N 3.31Å; V181-Y184 WeakPolarHBondContact O-CB 3.34Å; V181-Y184 PolarHBondContact O-N 2.92Å; K182-Y184 VanDerWaalsContact C-N 3.33Å; Y184-R186 VanDerWaalsContact C-N 3.35Å; Y184-R186 PolarHBondContact O-N 3.48Å; Y184-K187 PolarHBondContact O-N 2.95Å; Y184-L188 HydrophobicContact CD1-CD1 4.41Å; Y184-L188 HydrophobicContact CD2-CD1 4.2Å; Y184-L188 HydrophobicContact CE1-CD1 3.78Å; Y184-L188 HydrophobicContact CE2-CD1 3.55Å; Y184-L188 HydrophobicContact CE2-CG 4.33Å; Y184-L188 PolarHBondContact O-N 2.64Å; Y184-L188 VanDerWaalsContact O-N 3.15Å; Y184-L188 WeakPolarHBondContact OH-CD1 3.49Å; Y184-D421 VanDerWaalsContact CE2-OD2 3.25Å; Y184-D421 WeakPolarHBondContact CE2-OD2 3.38Å; Y184-D421 VanDerWaalsContact OH-CG 3.23Å; Y184-D421 PolarHBondContact OH-OD1 2.76Å; Y184-D421 PolarHBondContact OH-OD2 2.79Å
185	Y	98.7	Very high	97.8	Very high	5 Å²	5	44.9 Å²	44.9	2%	0.02	21%	0.207	C	C	.	.	H	α-helix	trans	-57.6	-46.4	178.8	-59.5	-33.6	0	0	0	112.4	Q162 V181 K182 S189 K221 E224 M225 Y228	Q162-Y185 VanDerWaalsContact NE2-CE1 3.28Å; Q162-Y185 PolarHBondContact NE2-OH 2.65Å; V181-Y185 HydrophobicContact CG1-CD2 4.23Å; V181-Y185 HydrophobicContact CG1-CE1 4.19Å; V181-Y185 HydrophobicContact CG1-CE2 3.43Å; V181-Y185 VanDerWaalsContact CG1-CE2 3.43Å; V181-Y185 VanDerWaalsContact CG1-OH 3.27Å; V181-Y185 WeakPolarHBondContact CG1-OH 3.36Å; V181-Y185 WeakPolarHBondContact O-CD2 3.43Å; V181-Y185 PolarHBondContact O-N 3.38Å; V181-Y185 VanDerWaalsContact O-N 3.09Å; K182-Y185 PolarHBondContact O-N 3.21Å; Y185-S189 WeakPolarHBondContact O-CB 3.42Å; Y185-S189 PolarHBondContact O-N 2.89Å; Y185-S189 PolarHBondContact O-OG 3.28Å; Y185-S189 VanDerWaalsContact O-OG 3.08Å; Y185-K221 WeakPolarHBondContact OH-CD 3.33Å; Y185-E224 HydrophobicContact CE2-CB 3.87Å; Y185-E224 PolarHBondContact OH-OE2 2.91Å; Y185-M225 HydrophobicContact CD1-CB 3.66Å; Y185-M225 HydrophobicContact CD1-CG 3.77Å; Y185-M225 HydrophobicContact CD1-SD 4.01Å; Y185-M225 HydrophobicContact CE1-CB 3.91Å; Y185-M225 HydrophobicContact CE1-CG 4.47Å; Y185-M225 HydrophobicContact CG-CB 4.24Å; Y185-M225 HydrophobicContact CG-CG 4.25Å; Y185-Y228 HydrophobicContact CD2-CD2 4.3Å; Y185-Y228 AromaticContact CD2-CE2 3.83Å; Y185-Y228 HydrophobicContact CD2-CE2 3.83Å; Y185-Y228 HydrophobicContact CG-CD2 4.38Å; Y185-Y228 HydrophobicContact CG-CE2 4.31Å
186	R	98.4	Very high	97.7	Very high	100 Å²	100	35.1 Å²	35.1	38%	0.377	17%	0.171	S	C	.	.	H	α-helix	trans	-62.9	-47.3	179.9	-72.5	173.1	-171.4	151.2	-1.8	112	E178 K182 G183 Y184 Q190 Y228	E178-R186 IonicContact OE2-NH1 2.75Å; E178-R186 PolarHBondContact OE2-NH1 3.49Å; K182-R186 WeakPolarHBondContact O-CB 3.28Å; K182-R186 VanDerWaalsContact O-CG 3.27Å; K182-R186 WeakPolarHBondContact O-CG 3.37Å; K182-R186 PolarHBondContact O-N 2.88Å; G183-R186 PolarHBondContact O-N 3.41Å; Y184-R186 VanDerWaalsContact C-N 3.35Å; Y184-R186 PolarHBondContact O-N 3.48Å; R186-Q190 WeakPolarHBondContact O-CB 3.33Å; R186-Q190 WeakPolarHBondContact O-CG 3.35Å; R186-Q190 PolarHBondContact O-N 3.24Å; R186-Y228 HydrophobicContact CG-CD1 4.04Å; R186-Y228 HydrophobicContact CG-CE1 3.77Å
187	K	98.5	Very high	97.3	Very high	32 Å²	32	38.5 Å²	38.5	14%	0.139	19%	0.186	C	C	.	.	H	α-helix	trans	-57.5	-53.4	-178.4	-179.8	-176.3	175.9	179.7	0	110.3	Y165 Y176 G183 Y184 A191 N413	Y165-K187 HydrophobicContact CE2-CD 3.65Å; Y176-K187 VanDerWaalsContact CE2-NZ 3.3Å; Y176-K187 VanDerWaalsContact CZ-NZ 3.3Å; Y176-K187 WeakPolarHBondContact O-CE 3.29Å; Y176-K187 PolarHBondContact O-NZ 2.87Å; G183-K187 WeakPolarHBondContact O-CB 3.34Å; G183-K187 PolarHBondContact O-N 3.48Å; Y184-K187 PolarHBondContact O-N 2.95Å; K187-A191 WeakPolarHBondContact O-CB 3.36Å; K187-A191 PolarHBondContact O-N 3.27Å; K187-N413 VanDerWaalsContact CE-O 3.31Å; K187-N413 WeakPolarHBondContact CE-O 3.41Å
188	L	98.6	Very high	96.7	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-68.6	-47.8	-176.2	-62.4	-167.3	0	0	0	111.9	Y184 Q190 A191 F192 M225 L414 L427	Y184-L188 HydrophobicContact CD1-CD1 4.41Å; Y184-L188 HydrophobicContact CD2-CD1 4.2Å; Y184-L188 HydrophobicContact CE1-CD1 3.78Å; Y184-L188 HydrophobicContact CE2-CD1 3.55Å; Y184-L188 HydrophobicContact CE2-CG 4.33Å; Y184-L188 PolarHBondContact O-N 2.64Å; Y184-L188 VanDerWaalsContact O-N 3.15Å; Y184-L188 WeakPolarHBondContact OH-CD1 3.49Å; L188-Q190 VanDerWaalsContact C-N 3.34Å; L188-Q190 PolarHBondContact O-N 2.91Å; L188-A191 PolarHBondContact O-N 3.06Å; L188-F192 WeakPolarHBondContact O-CB 3.44Å; L188-F192 PolarHBondContact O-N 2.81Å; L188-M225 HydrophobicContact CB-CE 3.62Å; L188-L414 HydrophobicContact CB-CD1 4.19Å; L188-L414 HydrophobicContact CD2-CD1 4.34Å; L188-L414 WeakPolarHBondContact CD2-O 3.35Å; L188-L414 VanDerWaalsContact O-CD1 3.29Å; L188-L414 WeakPolarHBondContact O-CD1 3.46Å; L188-L427 HydrophobicContact CB-CD1 4.1Å
189	S	98.2	Very high	96.1	Very high	4 Å²	4	39.8 Å²	39.8	3%	0.028	19%	0.193	C	C	.	.	H	α-helix	trans	-66.1	-37	-177.9	79.2	0	0	0	0	112.5	Y185 F192 I193 Y228	Y185-S189 WeakPolarHBondContact O-CB 3.42Å; Y185-S189 PolarHBondContact O-N 2.89Å; Y185-S189 PolarHBondContact O-OG 3.28Å; Y185-S189 VanDerWaalsContact O-OG 3.08Å; S189-F192 PolarHBondContact O-N 2.93Å; S189-I193 WeakPolarHBondContact O-CB 3.2Å; S189-I193 WeakPolarHBondContact O-CD1 3.39Å; S189-I193 WeakPolarHBondContact O-CG1 3.22Å; S189-I193 PolarHBondContact O-N 2.82Å; S189-Y228 WeakPolarHBondContact CB-O 3.32Å; S189-Y228 WeakPolarHBondContact OG-CB 3.28Å; S189-Y228 PolarHBondContact OG-O 2.86Å
190	Q	97.9	Very high	95.1	Very high	117 Å²	117	44 Å²	44	55%	0.547	22%	0.22	S	C	.	.	H	α-helix	trans	-63.7	-47.1	176.1	-74.3	172.3	-2.6	0	0	110.8	R186 L188 F192 I193 Q194	R186-Q190 WeakPolarHBondContact O-CB 3.33Å; R186-Q190 WeakPolarHBondContact O-CG 3.35Å; R186-Q190 PolarHBondContact O-N 3.24Å; L188-Q190 VanDerWaalsContact C-N 3.34Å; L188-Q190 PolarHBondContact O-N 2.91Å; Q190-F192 PolarHBondContact O-N 2.95Å; Q190-I193 PolarHBondContact O-N 3.44Å; Q190-Q194 VanDerWaalsContact O-CG 3.29Å; Q190-Q194 WeakPolarHBondContact O-CG 3.25Å; Q190-Q194 PolarHBondContact O-N 2.81Å
191	A	98.1	Very high	93.8	Very high	5 Å²	5	49.7 Å²	49.7	4%	0.041	25%	0.248	C	C	.	.	H	α-helix	trans	-60.7	-44.8	177.6	0	0	0	0	0	111.6	K187 L188 Q194 L195 N413 L414	K187-A191 WeakPolarHBondContact O-CB 3.36Å; K187-A191 PolarHBondContact O-N 3.27Å; L188-A191 PolarHBondContact O-N 3.06Å; A191-Q194 PolarHBondContact O-N 3.06Å; A191-L195 WeakPolarHBondContact O-CG 3.2Å; A191-L195 PolarHBondContact O-N 2.87Å; A191-N413 HydrophobicContact CB-CB 3.96Å; A191-L414 HydrophobicContact CB-CB 3.78Å; A191-L414 HydrophobicContact CB-CD1 4.32Å
192	F	98.2	Very high	93.2	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-57.3	-51.7	174.4	176.7	-102.8	0	0	0	112.3	L188 S189 Q190 Q194 L195 T196 L229 E232 L233 L414 L427 E430 A431	L188-F192 WeakPolarHBondContact O-CB 3.44Å; L188-F192 PolarHBondContact O-N 2.81Å; S189-F192 PolarHBondContact O-N 2.93Å; Q190-F192 PolarHBondContact O-N 2.95Å; F192-Q194 VanDerWaalsContact C-N 3.29Å; F192-Q194 PolarHBondContact O-N 2.86Å; F192-L195 WeakPolarHBondContact O-CB 3.46Å; F192-L195 PolarHBondContact O-N 2.65Å; F192-L195 VanDerWaalsContact O-N 3.08Å; F192-T196 HydrophobicContact CD2-CG2 4.21Å; F192-T196 HydrophobicContact CE1-CG2 4.23Å; F192-T196 HydrophobicContact CE2-CG2 3.79Å; F192-T196 HydrophobicContact CZ-CG2 3.8Å; F192-T196 WeakPolarHBondContact O-CG2 3.45Å; F192-T196 PolarHBondContact O-N 3.1Å; F192-T196 PolarHBondContact O-OG1 3.39Å; F192-L229 HydrophobicContact CD1-CD2 3.99Å; F192-L229 HydrophobicContact CE1-CD2 4.46Å; F192-E232 HydrophobicContact CD1-CB 4.49Å; F192-E232 HydrophobicContact CE1-CB 3.82Å; F192-L233 HydrophobicContact CE1-CB 3.92Å; F192-L233 HydrophobicContact CZ-CB 3.9Å; F192-L233 HydrophobicContact CZ-CD2 4.31Å; F192-L414 HydrophobicContact CB-CD1 4.13Å; F192-L414 HydrophobicContact CB-CD2 4.39Å; F192-L414 HydrophobicContact CD2-CD2 4.5Å; F192-L427 HydrophobicContact CB-CB 4.5Å; F192-L427 HydrophobicContact CD1-CD2 4.32Å; F192-L427 HydrophobicContact CD2-CB 3.9Å; F192-L427 HydrophobicContact CD2-CD2 3.98Å; F192-L427 VanDerWaalsContact CD2-O 3.24Å; F192-L427 WeakPolarHBondContact CD2-O 3.37Å; F192-L427 HydrophobicContact CE2-CD2 4.26Å; F192-L427 WeakPolarHBondContact CE2-O 3.48Å; F192-L427 HydrophobicContact CG-CB 4.4Å; F192-L427 HydrophobicContact CG-CD2 4.01Å; F192-E430 HydrophobicContact CE2-CB 4.21Å; F192-A431 HydrophobicContact CD2-CB 3.94Å; F192-A431 HydrophobicContact CE2-CB 3.98Å
193	I	96.4	Very high	92.6	Very high	27 Å²	27	46.9 Å²	46.9	14%	0.138	24%	0.239	C	C	.	.	H	α-helix	trans	-60.8	-39.4	179.1	-68.8	163.3	0	0	0	110.9	S189 Q190 L195 T196 K197 Y228 K230 E232	S189-I193 WeakPolarHBondContact O-CB 3.2Å; S189-I193 WeakPolarHBondContact O-CD1 3.39Å; S189-I193 WeakPolarHBondContact O-CG1 3.22Å; S189-I193 PolarHBondContact O-N 2.82Å; Q190-I193 PolarHBondContact O-N 3.44Å; I193-L195 VanDerWaalsContact C-N 3.29Å; I193-L195 PolarHBondContact O-N 3.09Å; I193-T196 PolarHBondContact O-N 3.3Å; I193-K197 VanDerWaalsContact O-CB 3.24Å; I193-K197 WeakPolarHBondContact O-CB 3.44Å; I193-K197 PolarHBondContact O-N 3.1Å; I193-Y228 WeakPolarHBondContact CD1-O 3.44Å; I193-K230 HydrophobicContact CD1-CB 4.46Å; I193-K230 HydrophobicContact CD1-CD 4.1Å; I193-K230 HydrophobicContact CD1-CG 4.16Å; I193-E232 HydrophobicContact CG1-CG 4.24Å
194	Q	96	Very high	91.9	Very high	79 Å²	79	51.8 Å²	51.8	37%	0.369	26%	0.264	S	S	.	.	H	α-helix	trans	-65.6	-32.5	177.3	-69.5	-54.2	-43	0	0	112.8	Q190 A191 F192 K197 N410	Q190-Q194 VanDerWaalsContact O-CG 3.29Å; Q190-Q194 WeakPolarHBondContact O-CG 3.25Å; Q190-Q194 PolarHBondContact O-N 2.81Å; A191-Q194 PolarHBondContact O-N 3.06Å; F192-Q194 VanDerWaalsContact C-N 3.29Å; F192-Q194 PolarHBondContact O-N 2.86Å; Q194-K197 VanDerWaalsContact OE1-CE 3.27Å; Q194-N410 HydrophobicContact CB-CB 4.42Å; Q194-N410 WeakPolarHBondContact CB-OD1 3.41Å
195	L	96.1	Very high	91.2	Very high	5 Å²	5	58 Å²	58	3%	0.026	30%	0.297	C	S	.	.	H	α-helix	trans	-71	-40.6	174.3	-72.1	170.5	0	0	0	111.6	A191 F192 I193 L407 N410 L414 A431 I435	A191-L195 WeakPolarHBondContact O-CG 3.2Å; A191-L195 PolarHBondContact O-N 2.87Å; F192-L195 WeakPolarHBondContact O-CB 3.46Å; F192-L195 PolarHBondContact O-N 2.65Å; F192-L195 VanDerWaalsContact O-N 3.08Å; I193-L195 VanDerWaalsContact C-N 3.29Å; I193-L195 PolarHBondContact O-N 3.09Å; L195-L407 HydrophobicContact CD2-CB 4.42Å; L195-L407 HydrophobicContact CD2-CD2 3.78Å; L195-N410 HydrophobicContact CD1-CB 4.49Å; L195-N410 HydrophobicContact CD2-CB 3.74Å; L195-N410 HydrophobicContact CG-CB 3.79Å; L195-L414 HydrophobicContact CD1-CB 4.44Å; L195-L414 HydrophobicContact CD1-CD2 3.65Å; L195-A431 HydrophobicContact CB-CB 4.15Å; L195-A431 HydrophobicContact CD1-CB 4.08Å; L195-I435 HydrophobicContact CB-CD1 4.18Å; L195-I435 HydrophobicContact CD2-CD1 4.31Å
196	T	94.1	Very high	90.7	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.012	31%	0.31	C	S	.	.	H	α-helix	trans	-92	-20.8	-172	66.2	0	0	0	0	115.1	F192 I193 N198 V199 E232 A431	F192-T196 HydrophobicContact CD2-CG2 4.21Å; F192-T196 HydrophobicContact CE1-CG2 4.23Å; F192-T196 HydrophobicContact CE2-CG2 3.79Å; F192-T196 HydrophobicContact CZ-CG2 3.8Å; F192-T196 WeakPolarHBondContact O-CG2 3.45Å; F192-T196 PolarHBondContact O-N 3.1Å; F192-T196 PolarHBondContact O-OG1 3.39Å; I193-T196 PolarHBondContact O-N 3.3Å; T196-N198 PolarHBondContact O-N 2.96Å; T196-V199 WeakPolarHBondContact O-CB 3.38Å; T196-V199 WeakPolarHBondContact O-CG2 3.43Å; T196-V199 PolarHBondContact O-N 3.16Å; T196-E232 PolarHBondContact OG1-OE2 2.81Å; T196-A431 HydrophobicContact CG2-CB 4.14Å
197	K	88.8	Confident	90.4	Very high	110 Å²	110	57.8 Å²	57.8	48%	0.478	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-28.7	-172.5	64.7	178	-175.8	-179.8	0	115.8	I193 Q194	I193-K197 VanDerWaalsContact O-CB 3.24Å; I193-K197 WeakPolarHBondContact O-CB 3.44Å; I193-K197 PolarHBondContact O-N 3.1Å; Q194-K197 VanDerWaalsContact OE1-CE 3.27Å
198	N	83.3	Confident	90.2	Very high	103 Å²	103	58.1 Å²	58.1	55%	0.551	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	8.5	-174.5	-70.3	-24	0	0	0	112.4	T196 P200	T196-N198 PolarHBondContact O-N 2.96Å; N198-P200 VanDerWaalsContact O-CD 3.31Å; N198-P200 WeakPolarHBondContact O-CD 3.44Å
199	V	86.1	Confident	90.1	Very high	29 Å²	29	57.9 Å²	57.9	18%	0.176	31%	0.308	C	S	.	.			trans	-76.4	113	174.8	-179.2	0	0	0	0	107.6	T196 R202 A434 I435	T196-V199 WeakPolarHBondContact O-CB 3.38Å; T196-V199 WeakPolarHBondContact O-CG2 3.43Å; T196-V199 PolarHBondContact O-N 3.16Å; V199-R202 HydrophobicContact CB-CG 4.07Å; V199-R202 HydrophobicContact CG1-CG 3.57Å; V199-A434 HydrophobicContact CG1-CB 4.47Å; V199-A434 WeakPolarHBondContact CG1-O 3.32Å; V199-A434 HydrophobicContact CG2-CB 4.48Å; V199-I435 HydrophobicContact CG2-CG1 3.88Å
200	P	77.4	Confident	90	Very high	106 Å²	106	59.4 Å²	59.4	69%	0.688	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	137.7	-174.4	27.4	-32.9	0	0	0	111.2	N198 R202	N198-P200 VanDerWaalsContact O-CD 3.31Å; N198-P200 WeakPolarHBondContact O-CD 3.44Å; P200-R202 PolarHBondContact O-N 2.92Å
201	N	71.1	Confident	90	Very high	158 Å²	158	53.9 Å²	53.9	85%	0.845	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	43.3	167	-58	-28.8	0	0	0	115.7	T203	N201-T203 PolarHBondContact O-N 2.89Å
202	R	85.1	Confident	90.1	Very high	24 Å²	24	53.6 Å²	53.6	9%	0.091	29%	0.288	C	S	.	.			trans	-59.6	121.4	171.1	-74.1	-175.7	72.1	-165.4	2.7	110.4	V199 P200 Q206 K207 E232	V199-R202 HydrophobicContact CB-CG 4.07Å; V199-R202 HydrophobicContact CG1-CG 3.57Å; P200-R202 PolarHBondContact O-N 2.92Å; R202-Q206 PolarHBondContact NH2-O 3.41Å; R202-K207 HydrophobicContact CB-CG 4.43Å; R202-E232 PolarHBondContact NH1-O 2.84Å; R202-E232 IonicContact NH1-OE2 3.55Å; R202-E232 PolarHBondContact NH2-O 2.92Å
203	T	85.3	Confident	90	Very high	70 Å²	70	53.6 Å²	53.6	43%	0.429	29%	0.288	S	S	.	.			trans	-71.7	162.1	174.8	66.6	0	0	0	0	110.9	N201 D205 Q206 K207	N201-T203 PolarHBondContact O-N 2.89Å; T203-D205 VanDerWaalsContact C-N 3.26Å; T203-D205 PolarHBondContact O-N 2.86Å; T203-Q206 WeakPolarHBondContact O-CB 3.31Å; T203-Q206 PolarHBondContact O-N 2.79Å; T203-Q206 VanDerWaalsContact O-N 3.12Å; T203-Q206 WeakPolarHBondContact OG1-CG 3.15Å; T203-Q206 PolarHBondContact OG1-N 3.19Å; T203-K207 PolarHBondContact O-N 3.11Å
204	D	85.1	Confident	90.1	Very high	106 Å²	106	52.3 Å²	52.3	57%	0.567	28%	0.281	S	S	*	.	S	Bend	trans	-61	-37.7	175.3	-67.7	-29.8	0	0	0	111.2	Q206 K207 A208	D204-Q206 VanDerWaalsContact C-N 3.27Å; D204-Q206 PolarHBondContact O-N 3.49Å; D204-K207 CarbonylContact O-C 3.54Å; D204-K207 WeakPolarHBondContact O-CA 3.3Å; D204-K207 WeakPolarHBondContact O-CB 3.35Å; D204-K207 PolarHBondContact O-N 2.73Å; D204-A208 PolarHBondContact O-N 3.28Å
205	D	84.3	Confident	90.2	Very high	131 Å²	131	49 Å²	49	70%	0.701	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-32.2	174.8	-58.3	-21.1	0	0	0	113.1	T203 K207 R272	T203-D205 VanDerWaalsContact C-N 3.26Å; T203-D205 PolarHBondContact O-N 2.86Å; D205-K207 PolarHBondContact O-N 2.75Å; D205-R272 PolarHBondContact O-NH1 3.05Å
206	Q	87.4	Confident	90.3	Very high	63 Å²	63	48.9 Å²	48.9	29%	0.294	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-10.8	174.7	-73.1	176.1	-38.3	0	0	112.9	R202 T203 D204 R272	R202-Q206 PolarHBondContact NH2-O 3.41Å; T203-Q206 WeakPolarHBondContact O-CB 3.31Å; T203-Q206 PolarHBondContact O-N 2.79Å; T203-Q206 VanDerWaalsContact O-N 3.12Å; T203-Q206 WeakPolarHBondContact OG1-CG 3.15Å; T203-Q206 PolarHBondContact OG1-N 3.19Å; D204-Q206 VanDerWaalsContact C-N 3.27Å; D204-Q206 PolarHBondContact O-N 3.49Å; Q206-R272 PolarHBondContact O-NH2 3.37Å
207	K	91.9	Very high	90.5	Very high	39 Å²	39	48.8 Å²	48.8	17%	0.17	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-21.7	175.6	-65.2	177.2	-179.6	-176.3	0	112.1	R202 T203 D204 D205 L233 Q234	R202-K207 HydrophobicContact CB-CG 4.43Å; T203-K207 PolarHBondContact O-N 3.11Å; D204-K207 CarbonylContact O-C 3.54Å; D204-K207 WeakPolarHBondContact O-CA 3.3Å; D204-K207 WeakPolarHBondContact O-CB 3.35Å; D204-K207 PolarHBondContact O-N 2.73Å; D205-K207 PolarHBondContact O-N 2.75Å; K207-L233 WeakPolarHBondContact O-CD1 3.43Å; K207-Q234 PolarHBondContact O-N 2.8Å
208	A	94.5	Very high	91	Very high	38 Å²	38	43.5 Å²	43.5	31%	0.314	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	133.7	177.5	0	0	0	0	0	111.8	D204 Q234 R272	D204-A208 PolarHBondContact O-N 3.28Å; A208-Q234 WeakPolarHBondContact CA-O 3.09Å; A208-R272 PolarHBondContact O-NH2 2.96Å
209	L	96.8	Very high	91.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	129.2	173.5	178.3	66.2	0	0	0	110.2	V211 Q234 L235 S236 R272 Y285 M426 E430	L209-V211 HydrophobicContact CD2-CG2 3.96Å; L209-V211 HydrophobicContact CG-CG2 3.93Å; L209-Q234 PolarHBondContact N-O 2.74Å; L209-L235 HydrophobicContact CB-CD2 4.14Å; L209-L235 HydrophobicContact CD2-CD2 4.12Å; L209-S236 PolarHBondContact O-N 3.48Å; L209-R272 HydrophobicContact CD1-CB 3.86Å; L209-Y285 HydrophobicContact CD1-CE1 3.82Å; L209-M426 HydrophobicContact CD2-CG 3.62Å; L209-M426 HydrophobicContact CD2-SD 3.55Å; L209-M426 VanDerWaalsContact CD2-SD 3.55Å; L209-E430 HydrophobicContact CD2-CG 4Å
210	L	97.2	Very high	92.2	Very high	36 Å²	36	40.7 Å²	40.7	19%	0.188	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	127	170.4	-61.3	-177.9	0	0	0	109.5	S236 F238 V265 M267 R272 C273 C274	L210-S236 WeakPolarHBondContact CA-O 3.18Å; L210-F238 HydrophobicContact CB-CE1 4.11Å; L210-V265 HydrophobicContact CD1-CG2 4.14Å; L210-M267 HydrophobicContact CD1-CG 4.5Å; L210-R272 PolarHBondContact N-O 2.95Å; L210-C273 HydrophobicContact CB-CB 4.01Å; L210-C273 VanDerWaalsContact O-CA 3.25Å; L210-C273 WeakPolarHBondContact O-CA 3.26Å; L210-C273 PolarHBondContact O-SG 2.75Å; L210-C274 PolarHBondContact O-N 2.96Å
211	V	97.8	Very high	93.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	116.3	-176.5	-176	0	0	0	0	110.4	L209 G213 L235 S236 L237 F238 Y276 M426	L209-V211 HydrophobicContact CD2-CG2 3.96Å; L209-V211 HydrophobicContact CG-CG2 3.93Å; V211-G213 PolarHBondContact O-N 3.11Å; V211-L235 HydrophobicContact CG2-CD2 4Å; V211-S236 PolarHBondContact N-O 2.66Å; V211-L237 HydrophobicContact CB-CD2 3.74Å; V211-L237 HydrophobicContact CG1-CD2 3.75Å; V211-L237 WeakPolarHBondContact O-CA 3.09Å; V211-F238 WeakPolarHBondContact O-CD1 3.29Å; V211-F238 PolarHBondContact O-N 3.28Å; V211-Y276 HydrophobicContact CG1-CD2 4.13Å; V211-Y276 HydrophobicContact CG1-CE2 3.73Å; V211-M426 HydrophobicContact CG2-SD 4.15Å
212	D	98.4	Very high	94.5	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	108.2	167.4	175.6	18.2	0	0	0	109.6	A214 F238 N239 G251 P262 C274 S275 Y276	D212-A214 PolarHBondContact O-N 3.42Å; D212-A214 PolarHBondContact OD1-N 3.32Å; D212-F238 HydrophobicContact CB-CD2 4.25Å; D212-F238 HydrophobicContact CB-CE1 4.11Å; D212-F238 HydrophobicContact CB-CE2 3.41Å; D212-F238 VanDerWaalsContact CB-CE2 3.41Å; D212-F238 HydrophobicContact CB-CZ 3.37Å; D212-N239 VanDerWaalsContact OD1-CB 3.22Å; D212-N239 WeakPolarHBondContact OD1-CB 3.2Å; D212-N239 PolarHBondContact OD1-ND2 2.74Å; D212-G251 WeakPolarHBondContact OD2-CA 3.28Å; D212-G251 PolarHBondContact OD2-N 2.82Å; D212-P262 HydrophobicContact CB-CG 4.24Å; D212-P262 WeakPolarHBondContact OD2-CB 3.13Å; D212-C274 PolarHBondContact N-O 3.11Å; D212-S275 VanDerWaalsContact CB-OG 3.26Å; D212-S275 WeakPolarHBondContact CB-OG 3.39Å; D212-S275 WeakPolarHBondContact OD2-CB 3.33Å; D212-S275 PolarHBondContact OD2-OG 2.86Å; D212-Y276 PolarHBondContact O-N 3.48Å
213	G	97.9	Very high	95	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.174	C	C	.	.			trans	-77.2	-0.2	-179.8	0	0	0	0	0	115	V211 N215 G216 F238 N239	V211-G213 PolarHBondContact O-N 3.11Å; G213-N215 PolarHBondContact O-N 3.15Å; G213-G216 PolarHBondContact O-N 3.17Å; G213-F238 PolarHBondContact N-O 2.93Å; G213-N239 CarbonylContact C-O 3.49Å; G213-N239 VanDerWaalsContact C-O 3.24Å; G213-N239 WeakPolarHBondContact CA-O 3.43Å
214	A	98.1	Very high	95.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	16.2	-176.9	0	0	0	0	0	115.4	D212 G216 N239 N247 Y276	D212-A214 PolarHBondContact O-N 3.42Å; D212-A214 PolarHBondContact OD1-N 3.32Å; A214-G216 PolarHBondContact O-N 3.41Å; A214-N239 PolarHBondContact N-O 3.4Å; A214-N247 PolarHBondContact O-N 2.88Å; A214-Y276 WeakPolarHBondContact CB-O 3.4Å
215	N	98.2	Very high	96	Very high	10 Å²	10	26.7 Å²	26.7	5%	0.053	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	26.7	-165.4	-57.2	-63.5	0	0	0	113.1	G213 N239 G241 K245 L246	G213-N215 PolarHBondContact O-N 3.15Å; N215-N239 WeakPolarHBondContact CA-O 3.37Å; N215-N239 PolarHBondContact N-O 3.08Å; N215-N239 WeakPolarHBondContact OD1-CA 3.09Å; N215-N239 PolarHBondContact OD1-O 3.33Å; N215-G241 PolarHBondContact OD1-N 3.05Å; N215-G241 VanDerWaalsContact OD1-N 3.16Å; N215-K245 PolarHBondContact ND2-O 3.5Å; N215-K245 VanDerWaalsContact ND2-O 3.16Å; N215-L246 WeakPolarHBondContact O-CD1 3.43Å
216	G	98.1	Very high	96.5	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.01	13%	0.129	C	C	.	.	S	Bend	trans	-109.4	-177.3	-173.3	0	0	0	0	0	114.4	G213 A214 G218 A219	G213-G216 PolarHBondContact O-N 3.17Å; A214-G216 PolarHBondContact O-N 3.41Å; G216-G218 PolarHBondContact O-N 3.48Å; G216-A219 WeakPolarHBondContact O-CB 3.35Å; G216-A219 PolarHBondContact O-N 3.22Å
217	I	98.6	Very high	96.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.8	-27	-175.6	-173.4	54.9	0	0	0	112.6	D129 T130 L157 V158 T159 A219 L220 K221 G278	D129-I217 HydrophobicContact CB-CB 4.48Å; D129-I217 HydrophobicContact CB-CG2 4.16Å; T130-I217 HydrophobicContact CG2-CB 4.06Å; T130-I217 HydrophobicContact CG2-CD1 3.98Å; L157-I217 HydrophobicContact CB-CD1 3.76Å; L157-I217 HydrophobicContact CD2-CD1 4.4Å; V158-I217 WeakPolarHBondContact O-CG1 3.03Å; T159-I217 HydrophobicContact CG2-CG2 4.25Å; I217-A219 VanDerWaalsContact C-N 3.27Å; I217-A219 PolarHBondContact O-N 3.42Å; I217-L220 HydrophobicContact CD1-CB 4.31Å; I217-L220 HydrophobicContact CD1-CD1 4Å; I217-L220 PolarHBondContact O-N 3.09Å; I217-K221 HydrophobicContact CD1-CG 4.12Å; I217-K221 HydrophobicContact CG1-CG 4.09Å; I217-K221 WeakPolarHBondContact O-CG 3.37Å; I217-K221 PolarHBondContact O-N 2.93Å; I217-K221 VanDerWaalsContact O-N 3.12Å; I217-G278 WeakPolarHBondContact CG2-O 3.43Å; I217-G278 PolarHBondContact N-O 3Å
218	G	98.5	Very high	97	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-56.9	-38	175.6	0	0	0	0	0	113.5	G216 K221 V222	G216-G218 PolarHBondContact O-N 3.48Å; G218-K221 PolarHBondContact O-N 2.96Å; G218-V222 WeakPolarHBondContact O-CB 3.45Å; G218-V222 WeakPolarHBondContact O-CG1 3.43Å; G218-V222 PolarHBondContact O-N 2.85Å
219	A	97.7	Very high	96.9	Very high	2 Å²	2	25.7 Å²	25.7	2%	0.017	14%	0.136	C	C	.	.	H	α-helix	trans	-61.4	-47.4	178.1	0	0	0	0	0	112	G216 I217 K221 C223 D240	G216-A219 WeakPolarHBondContact O-CB 3.35Å; G216-A219 PolarHBondContact O-N 3.22Å; I217-A219 VanDerWaalsContact C-N 3.27Å; I217-A219 PolarHBondContact O-N 3.42Å; A219-K221 VanDerWaalsContact C-N 3.33Å; A219-K221 PolarHBondContact O-N 2.94Å; A219-C223 WeakPolarHBondContact O-CB 3.26Å; A219-C223 PolarHBondContact O-N 3.4Å; A219-D240 HydrophobicContact CB-CB 4.3Å
220	L	97.8	Very high	96.4	Very high	71 Å²	71	33 Å²	33	37%	0.372	17%	0.168	S	C	.	.	H	α-helix	trans	-62.8	-43.5	179	-57.8	-179	0	0	0	110.8	T130 I217 C223 E224	T130-L220 HydrophobicContact CG2-CD1 3.77Å; I217-L220 HydrophobicContact CD1-CB 4.31Å; I217-L220 HydrophobicContact CD1-CD1 4Å; I217-L220 PolarHBondContact O-N 3.09Å; L220-C223 PolarHBondContact O-N 3.16Å; L220-E224 WeakPolarHBondContact O-CG 3.41Å; L220-E224 PolarHBondContact O-N 3.2Å
221	K	98.4	Very high	95.8	Very high	16 Å²	16	37.2 Å²	37.2	7%	0.07	19%	0.191	C	C	.	.	H	α-helix	trans	-75.9	-34.3	-174	-61.1	-62.9	161.4	-166.5	0	113.8	L157 T159 Y185 I217 G218 A219 E224 M225 I423	L157-K221 WeakPolarHBondContact O-CE 3.24Å; L157-K221 PolarHBondContact O-NZ 2.88Å; T159-K221 HydrophobicContact CG2-CB 3.91Å; T159-K221 HydrophobicContact CG2-CG 3.81Å; Y185-K221 WeakPolarHBondContact OH-CD 3.33Å; I217-K221 HydrophobicContact CD1-CG 4.12Å; I217-K221 HydrophobicContact CG1-CG 4.09Å; I217-K221 WeakPolarHBondContact O-CG 3.37Å; I217-K221 PolarHBondContact O-N 2.93Å; I217-K221 VanDerWaalsContact O-N 3.12Å; G218-K221 PolarHBondContact O-N 2.96Å; A219-K221 VanDerWaalsContact C-N 3.33Å; A219-K221 PolarHBondContact O-N 2.94Å; K221-E224 IonicContact NZ-OE1 2.86Å; K221-E224 PolarHBondContact NZ-OE1 3.28Å; K221-E224 IonicContact NZ-OE2 3.36Å; K221-E224 PolarHBondContact NZ-OE2 3.29Å; K221-E224 PolarHBondContact O-N 2.81Å; K221-M225 WeakPolarHBondContact O-CB 3.43Å; K221-M225 PolarHBondContact O-N 3.22Å; K221-I423 HydrophobicContact CB-CD1 4.33Å
222	V	96.9	Very high	95.4	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-72.6	-32.8	174.6	81.3	0	0	0	0	111.6	G218 M225 E226 L235 L237 Y276 I423 M426	G218-V222 WeakPolarHBondContact O-CB 3.45Å; G218-V222 WeakPolarHBondContact O-CG1 3.43Å; G218-V222 PolarHBondContact O-N 2.85Å; V222-M225 PolarHBondContact O-N 3.12Å; V222-E226 PolarHBondContact O-N 3.46Å; V222-L235 HydrophobicContact CG2-CD1 3.42Å; V222-L235 VanDerWaalsContact CG2-CD1 3.42Å; V222-L237 HydrophobicContact CG1-CD1 3.85Å; V222-L237 HydrophobicContact CG1-CD2 3.58Å; V222-L237 HydrophobicContact CG1-CG 4.21Å; V222-Y276 HydrophobicContact CB-CE2 4.32Å; V222-Y276 HydrophobicContact CG1-CE2 4.25Å; V222-I423 HydrophobicContact CB-CD1 4.45Å; V222-M426 HydrophobicContact CG2-CE 4.14Å
223	C	95.8	Very high	95.2	Very high	67 Å²	67	39.6 Å²	39.6	45%	0.453	20%	0.202	S	C	.	.	H	α-helix	trans	-62.4	-45.1	170.6	-177	0	0	0	0	111.8	A219 L220 M225 E226 L237	A219-C223 WeakPolarHBondContact O-CB 3.26Å; A219-C223 PolarHBondContact O-N 3.4Å; L220-C223 PolarHBondContact O-N 3.16Å; C223-M225 VanDerWaalsContact C-N 3.27Å; C223-M225 PolarHBondContact O-N 3.45Å; C223-E226 WeakPolarHBondContact O-CB 3.34Å; C223-E226 PolarHBondContact O-N 2.63Å; C223-L237 HydrophobicContact CB-CD1 3.96Å
224	E	96.5	Very high	95	Very high	84 Å²	84	43.3 Å²	43.3	39%	0.393	22%	0.219	S	C	.	.	H	α-helix	trans	-59.1	-38.9	171.8	-71.2	173.4	-154.1	0	0	112.2	Y185 L220 K221 T227	Y185-E224 HydrophobicContact CE2-CB 3.87Å; Y185-E224 PolarHBondContact OH-OE2 2.91Å; L220-E224 WeakPolarHBondContact O-CG 3.41Å; L220-E224 PolarHBondContact O-N 3.2Å; K221-E224 IonicContact NZ-OE1 2.86Å; K221-E224 PolarHBondContact NZ-OE1 3.28Å; K221-E224 IonicContact NZ-OE2 3.36Å; K221-E224 PolarHBondContact NZ-OE2 3.29Å; K221-E224 PolarHBondContact O-N 2.81Å; E224-T227 PolarHBondContact O-OG1 2.79Å
225	M	96.4	Very high	94.9	Very high	1 Å²	1	44 Å²	44	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-73.1	-25.9	-178.4	-172.8	171.4	-177.6	0	0	113.6	Y185 L188 K221 V222 C223 T227 Y228 L229 I423 L427	Y185-M225 HydrophobicContact CD1-CB 3.66Å; Y185-M225 HydrophobicContact CD1-CG 3.77Å; Y185-M225 HydrophobicContact CD1-SD 4.01Å; Y185-M225 HydrophobicContact CE1-CB 3.91Å; Y185-M225 HydrophobicContact CE1-CG 4.47Å; Y185-M225 HydrophobicContact CG-CB 4.24Å; Y185-M225 HydrophobicContact CG-CG 4.25Å; L188-M225 HydrophobicContact CB-CE 3.62Å; K221-M225 WeakPolarHBondContact O-CB 3.43Å; K221-M225 PolarHBondContact O-N 3.22Å; V222-M225 PolarHBondContact O-N 3.12Å; C223-M225 VanDerWaalsContact C-N 3.27Å; C223-M225 PolarHBondContact O-N 3.45Å; M225-T227 PolarHBondContact O-N 3.42Å; M225-T227 VanDerWaalsContact O-N 3.12Å; M225-Y228 WeakPolarHBondContact O-CA 3Å; M225-Y228 VanDerWaalsContact O-CB 3.3Å; M225-Y228 WeakPolarHBondContact O-CB 3.48Å; M225-Y228 PolarHBondContact O-N 2.92Å; M225-L229 HydrophobicContact CE-CD2 4.28Å; M225-I423 HydrophobicContact SD-CG2 3.63Å; M225-L427 HydrophobicContact CE-CD1 3.39Å; M225-L427 HydrophobicContact SD-CD1 4.22Å
226	E	93.3	Very high	94.8	Very high	77 Å²	77	46.7 Å²	46.7	36%	0.36	24%	0.243	S	C	.	.	H	α-helix	trans	-53	-40.3	-173.5	-172.7	174.9	-160.5	0	0	112.6	V222 C223 Y228 L229	V222-E226 PolarHBondContact O-N 3.46Å; C223-E226 WeakPolarHBondContact O-CB 3.34Å; C223-E226 PolarHBondContact O-N 2.63Å; E226-Y228 PolarHBondContact O-N 3.11Å; E226-L229 WeakPolarHBondContact O-CB 3.48Å; E226-L229 PolarHBondContact O-N 3.02Å
227	T	92.9	Very high	94.6	Very high	115 Å²	115	49.1 Å²	49.1	71%	0.706	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-22.8	177	63.1	0	0	0	0	114.1	E224 M225	E224-T227 PolarHBondContact O-OG1 2.79Å; M225-T227 PolarHBondContact O-N 3.42Å; M225-T227 VanDerWaalsContact O-N 3.12Å
228	Y	96.8	Very high	94.5	Very high	58 Å²	58	50.4 Å²	50.4	23%	0.227	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-14.2	178.6	-65.9	-101	0	0	0	113.3	Y185 R186 S189 I193 M225 E226	Y185-Y228 HydrophobicContact CD2-CD2 4.3Å; Y185-Y228 AromaticContact CD2-CE2 3.83Å; Y185-Y228 HydrophobicContact CD2-CE2 3.83Å; Y185-Y228 HydrophobicContact CG-CD2 4.38Å; Y185-Y228 HydrophobicContact CG-CE2 4.31Å; R186-Y228 HydrophobicContact CG-CD1 4.04Å; R186-Y228 HydrophobicContact CG-CE1 3.77Å; S189-Y228 WeakPolarHBondContact CB-O 3.32Å; S189-Y228 WeakPolarHBondContact OG-CB 3.28Å; S189-Y228 PolarHBondContact OG-O 2.86Å; I193-Y228 WeakPolarHBondContact CD1-O 3.44Å; M225-Y228 WeakPolarHBondContact O-CA 3Å; M225-Y228 VanDerWaalsContact O-CB 3.3Å; M225-Y228 WeakPolarHBondContact O-CB 3.48Å; M225-Y228 PolarHBondContact O-N 2.92Å; E226-Y228 PolarHBondContact O-N 3.11Å
229	L	93.2	Very high	94.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	-85.1	-8.8	-177.7	-61.9	174.7	0	0	0	113.4	F192 M225 E226 N231 E232 L233 L235 L427	F192-L229 HydrophobicContact CD1-CD2 3.99Å; F192-L229 HydrophobicContact CE1-CD2 4.46Å; M225-L229 HydrophobicContact CE-CD2 4.28Å; E226-L229 WeakPolarHBondContact O-CB 3.48Å; E226-L229 PolarHBondContact O-N 3.02Å; L229-N231 VanDerWaalsContact C-N 3.27Å; L229-N231 PolarHBondContact O-N 2.6Å; L229-N231 VanDerWaalsContact O-N 3.15Å; L229-E232 VanDerWaalsContact O-CB 3.31Å; L229-E232 WeakPolarHBondContact O-CB 3.37Å; L229-E232 PolarHBondContact O-N 2.91Å; L229-L233 HydrophobicContact CD1-CB 4.34Å; L229-L233 HydrophobicContact CD1-CD2 4.42Å; L229-L235 HydrophobicContact CD1-CD1 4.22Å; L229-L427 HydrophobicContact CD1-CD2 4.33Å; L229-L427 HydrophobicContact CD2-CD2 3.72Å
230	K	86.5	Confident	94.3	Very high	155 Å²	155	54.9 Å²	54.9	67%	0.674	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	38.3	173	-56.9	-173.6	-178.5	-178.9	0	114.8	I193 E232	I193-K230 HydrophobicContact CD1-CB 4.46Å; I193-K230 HydrophobicContact CD1-CD 4.1Å; I193-K230 HydrophobicContact CD1-CG 4.16Å; K230-E232 PolarHBondContact O-N 3.32Å
231	N	84	Confident	94.1	Very high	123 Å²	123	53.5 Å²	53.5	66%	0.658	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	14.1	-177.7	-49.1	-32.3	0	0	0	115	L229	L229-N231 VanDerWaalsContact C-N 3.27Å; L229-N231 PolarHBondContact O-N 2.6Å; L229-N231 VanDerWaalsContact O-N 3.15Å
232	E	90.1	Very high	93.8	Very high	48 Å²	48	57 Å²	57	22%	0.224	31%	0.314	C	S	.	.	S	Bend	trans	-75.5	-15.8	171.6	-70	-63.3	140.7	0	0	112.7	F192 I193 T196 R202 L229 K230	F192-E232 HydrophobicContact CD1-CB 4.49Å; F192-E232 HydrophobicContact CE1-CB 3.82Å; I193-E232 HydrophobicContact CG1-CG 4.24Å; T196-E232 PolarHBondContact OG1-OE2 2.81Å; R202-E232 PolarHBondContact NH1-O 2.84Å; R202-E232 IonicContact NH1-OE2 3.55Å; R202-E232 PolarHBondContact NH2-O 2.92Å; L229-E232 VanDerWaalsContact O-CB 3.31Å; L229-E232 WeakPolarHBondContact O-CB 3.37Å; L229-E232 PolarHBondContact O-N 2.91Å; K230-E232 PolarHBondContact O-N 3.32Å
233	L	93.9	Very high	93.4	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.01	35%	0.353	C	S	.	.	S	Bend	trans	-147.8	132.4	171.8	-172	69.4	0	0	0	107.6	F192 K207 L229 L235 M426 L427 E430	F192-L233 HydrophobicContact CE1-CB 3.92Å; F192-L233 HydrophobicContact CZ-CB 3.9Å; F192-L233 HydrophobicContact CZ-CD2 4.31Å; K207-L233 WeakPolarHBondContact O-CD1 3.43Å; L229-L233 HydrophobicContact CD1-CB 4.34Å; L229-L233 HydrophobicContact CD1-CD2 4.42Å; L233-L235 HydrophobicContact CD2-CD2 3.68Å; L233-L235 HydrophobicContact CG-CD2 3.77Å; L233-L235 HydrophobicContact CG-CG 4.5Å; L233-M426 HydrophobicContact CD2-CE 4.08Å; L233-L427 HydrophobicContact CD2-CD2 3.87Å; L233-E430 HydrophobicContact CD1-CB 4.01Å; L233-E430 HydrophobicContact CD1-CG 3.78Å; L233-E430 HydrophobicContact CD2-CB 4.48Å; L233-E430 HydrophobicContact CD2-CG 4.22Å
234	Q	94.1	Very high	93.1	Very high	78 Å²	78	61.1 Å²	61.1	36%	0.364	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	116.6	-178.5	-64.2	175.2	15.6	0	0	108.1	K207 A208 L209	K207-Q234 PolarHBondContact O-N 2.8Å; A208-Q234 WeakPolarHBondContact CA-O 3.09Å; L209-Q234 PolarHBondContact N-O 2.74Å
235	L	95.3	Very high	93.1	Very high	16 Å²	16	60.9 Å²	60.9	8%	0.084	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127.6	-173.1	-58.1	-178.8	0	0	0	109.8	L209 V211 V222 L229 L233 M426	L209-L235 HydrophobicContact CB-CD2 4.14Å; L209-L235 HydrophobicContact CD2-CD2 4.12Å; V211-L235 HydrophobicContact CG2-CD2 4Å; V222-L235 HydrophobicContact CG2-CD1 3.42Å; V222-L235 VanDerWaalsContact CG2-CD1 3.42Å; L229-L235 HydrophobicContact CD1-CD1 4.22Å; L233-L235 HydrophobicContact CD2-CD2 3.68Å; L233-L235 HydrophobicContact CG-CD2 3.77Å; L233-L235 HydrophobicContact CG-CG 4.5Å; L235-M426 HydrophobicContact CD1-CE 4.29Å; L235-M426 HydrophobicContact CD2-CE 4.31Å; L235-M426 HydrophobicContact CD2-SD 4.13Å
236	S	95.3	Very high	93.1	Very high	66 Å²	66	61.1 Å²	61.1	46%	0.462	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	99.4	171.3	-67.9	0	0	0	0	108.6	L209 L210 V211	L209-S236 PolarHBondContact O-N 3.48Å; L210-S236 WeakPolarHBondContact CA-O 3.18Å; V211-S236 PolarHBondContact N-O 2.66Å
237	L	95.4	Very high	93.4	Very high	52 Å²	52	58.6 Å²	58.6	27%	0.272	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	139.3	-177.9	-75	163.5	0	0	0	111.6	V211 V222 C223	V211-L237 HydrophobicContact CB-CD2 3.74Å; V211-L237 HydrophobicContact CG1-CD2 3.75Å; V211-L237 WeakPolarHBondContact O-CA 3.09Å; V222-L237 HydrophobicContact CG1-CD1 3.85Å; V222-L237 HydrophobicContact CG1-CD2 3.58Å; V222-L237 HydrophobicContact CG1-CG 4.21Å; C223-L237 HydrophobicContact CB-CD1 3.96Å
238	F	96	Very high	93.6	Very high	26 Å²	26	58 Å²	58	11%	0.114	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	163.9	164.6	64.6	-85.1	0	0	0	109.3	L210 V211 D212 G213 D240 P262 V265	L210-F238 HydrophobicContact CB-CE1 4.11Å; V211-F238 WeakPolarHBondContact O-CD1 3.29Å; V211-F238 PolarHBondContact O-N 3.28Å; D212-F238 HydrophobicContact CB-CD2 4.25Å; D212-F238 HydrophobicContact CB-CE1 4.11Å; D212-F238 HydrophobicContact CB-CE2 3.41Å; D212-F238 VanDerWaalsContact CB-CE2 3.41Å; D212-F238 HydrophobicContact CB-CZ 3.37Å; G213-F238 PolarHBondContact N-O 2.93Å; F238-D240 VanDerWaalsContact C-N 3.31Å; F238-D240 PolarHBondContact O-N 2.81Å; F238-P262 HydrophobicContact CE2-CB 4.32Å; F238-P262 HydrophobicContact CE2-CG 3.55Å; F238-P262 HydrophobicContact CZ-CG 3.87Å; F238-V265 HydrophobicContact CD1-CG2 4.23Å; F238-V265 HydrophobicContact CD2-CB 4.07Å; F238-V265 HydrophobicContact CE1-CB 4.15Å; F238-V265 HydrophobicContact CE1-CG2 3.75Å; F238-V265 HydrophobicContact CE2-CB 3.65Å; F238-V265 HydrophobicContact CE2-CG1 4.22Å; F238-V265 HydrophobicContact CE2-CG2 4.2Å; F238-V265 HydrophobicContact CG-CB 4.48Å; F238-V265 HydrophobicContact CZ-CB 3.65Å; F238-V265 HydrophobicContact CZ-CG1 4.18Å; F238-V265 HydrophobicContact CZ-CG2 3.7Å
239	N	97	Very high	93.6	Very high	30 Å²	30	58.2 Å²	58.2	16%	0.16	33%	0.33	C	S	.	.	S	Bend	trans	49.1	56.4	-165.7	-59.5	-45.2	0	0	0	110.5	D212 G213 A214 N215 G241 C250 K263	D212-N239 VanDerWaalsContact OD1-CB 3.22Å; D212-N239 WeakPolarHBondContact OD1-CB 3.2Å; D212-N239 PolarHBondContact OD1-ND2 2.74Å; G213-N239 CarbonylContact C-O 3.49Å; G213-N239 VanDerWaalsContact C-O 3.24Å; G213-N239 WeakPolarHBondContact CA-O 3.43Å; A214-N239 PolarHBondContact N-O 3.4Å; N215-N239 WeakPolarHBondContact CA-O 3.37Å; N215-N239 PolarHBondContact N-O 3.08Å; N215-N239 WeakPolarHBondContact OD1-CA 3.09Å; N215-N239 PolarHBondContact OD1-O 3.33Å; N239-G241 VanDerWaalsContact C-N 3.34Å; N239-C250 HydrophobicContact CB-CB 4.4Å; N239-C250 VanDerWaalsContact ND2-CB 3.26Å; N239-C250 WeakPolarHBondContact ND2-CB 3.32Å; N239-K263 PolarHBondContact ND2-O 3.4Å; N239-K263 PolarHBondContact OD1-O 3.05Å
240	D	95.6	Very high	93.8	Very high	66 Å²	66	58.3 Å²	58.3	35%	0.353	33%	0.331	S	S	.	.			trans	-88.7	0.2	-171.8	66.5	-11.5	0	0	0	113.9	A219 F238 S242	A219-D240 HydrophobicContact CB-CB 4.3Å; F238-D240 VanDerWaalsContact C-N 3.31Å; F238-D240 PolarHBondContact O-N 2.81Å; D240-S242 WeakPolarHBondContact OD1-CB 3.49Å; D240-S242 PolarHBondContact OD1-N 2.88Å; D240-S242 PolarHBondContact OD1-OG 3.34Å
241	G	92.8	Very high	94.3	Very high	42 Å²	42	51 Å²	51	43%	0.433	30%	0.299	S	S	.	.	S	Bend	trans	91.9	1.6	-175.9	0	0	0	0	0	114.6	N215 N239	N215-G241 PolarHBondContact OD1-N 3.05Å; N215-G241 VanDerWaalsContact OD1-N 3.16Å; N239-G241 VanDerWaalsContact C-N 3.34Å
242	S	92.4	Very high	95	Very high	90 Å²	90	45.1 Å²	45.1	63%	0.629	27%	0.268	S	S	*	.	S	Bend	trans	-73.6	-32.9	180	61.2	0	0	0	0	114.4	D240	D240-S242 WeakPolarHBondContact OD1-CB 3.49Å; D240-S242 PolarHBondContact OD1-N 2.88Å; D240-S242 PolarHBondContact OD1-OG 3.34Å
243	S	87.6	Confident	95.2	Very high	120 Å²	120	45.3 Å²	45.3	84%	0.839	27%	0.271	S	S	*	.	S	Bend	trans	-147	-4.4	-172.1	57.1	0	0	0	0	115.2
244	G	90.8	Very high	95.3	Very high	34 Å²	34	46.7 Å²	46.7	35%	0.351	28%	0.276	S	S	.	.	S	Bend	trans	-107.5	161.7	-178.1	0	0	0	0	0	113.6
245	K	95.6	Very high	95.5	Very high	80 Å²	80	43 Å²	43	35%	0.348	26%	0.258	S	S	.	.			trans	-87.3	140.2	174.8	-176.8	177	-176.7	-174.8	0	110.2	E69 E70 N215 N247 H248	E69-K245 HydrophobicContact CB-CD 4.44Å; E69-K245 HydrophobicContact CB-CG 4.17Å; E69-K245 VanDerWaalsContact OE2-CE 3.29Å; E69-K245 WeakPolarHBondContact OE2-CE 3.43Å; E70-K245 IonicContact OE2-NZ 3.33Å; E70-K245 PolarHBondContact OE2-NZ 3.33Å; N215-K245 PolarHBondContact ND2-O 3.5Å; N215-K245 VanDerWaalsContact ND2-O 3.16Å; K245-N247 PolarHBondContact O-N 3.4Å; K245-H248 HydrophobicContact CB-CB 3.71Å; K245-H248 HydrophobicContact CD-CB 4.38Å; K245-H248 HydrophobicContact CG-CB 4.08Å; K245-H248 WeakPolarHBondContact O-CB 3.48Å; K245-H248 PolarHBondContact O-N 3.28Å; K245-H248 VanDerWaalsContact O-N 3.11Å
246	L	97.8	Very high	95.5	Very high	6 Å²	6	43.3 Å²	43.3	3%	0.031	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	127.4	178.5	-176.6	66.7	0	0	0	111.7	E69 R131 N215 H248	E69-L246 HydrophobicContact CB-CB 4.25Å; E69-L246 HydrophobicContact CG-CB 4.35Å; R131-L246 HydrophobicContact CG-CD2 3.64Å; N215-L246 WeakPolarHBondContact O-CD1 3.43Å; L246-H248 PolarHBondContact O-N 3.46Å
247	N	97.6	Very high	95.2	Very high	24 Å²	24	43.2 Å²	43.2	13%	0.128	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	13.4	-179.4	-56.7	-46.2	0	0	0	115.5	S65 H66 N67 A214 K245 L249 G278	S65-N247 PolarHBondContact O-ND2 3.5Å; H66-N247 VanDerWaalsContact C-ND2 3.29Å; H66-N247 WeakPolarHBondContact CA-ND2 3.07Å; H66-N247 PolarHBondContact O-ND2 3.27Å; N67-N247 PolarHBondContact O-ND2 3.16Å; A214-N247 PolarHBondContact O-N 2.88Å; K245-N247 PolarHBondContact O-N 3.4Å; N247-L249 PolarHBondContact O-N 2.8Å; N247-G278 WeakPolarHBondContact OD1-CA 3.48Å; N247-G278 PolarHBondContact OD1-N 3.17Å
248	H	97.2	Very high	95	Very high	103 Å²	103	45.5 Å²	45.5	48%	0.477	27%	0.265	S	S	.	.	S	Bend	trans	-88.2	103.7	-173.6	-174.1	68.5	0	0	0	111.8	K245 L246 C250	K245-H248 HydrophobicContact CB-CB 3.71Å; K245-H248 HydrophobicContact CD-CB 4.38Å; K245-H248 HydrophobicContact CG-CB 4.08Å; K245-H248 WeakPolarHBondContact O-CB 3.48Å; K245-H248 PolarHBondContact O-N 3.28Å; K245-H248 VanDerWaalsContact O-N 3.11Å; L246-H248 PolarHBondContact O-N 3.46Å; H248-C250 PolarHBondContact O-N 3.4Å
249	L	96.7	Very high	94.8	Very high	62 Å²	62	47.6 Å²	47.6	33%	0.325	28%	0.275	S	S	.	.	S	Bend	trans	61.7	22.8	-176.5	-51.5	174.6	0	0	0	113.7	N247 Y254 K263	N247-L249 PolarHBondContact O-N 2.8Å; L249-Y254 HydrophobicContact CB-CE2 4.07Å; L249-Y254 HydrophobicContact CD2-CD2 4.43Å; L249-Y254 HydrophobicContact CD2-CE2 3.66Å; L249-Y254 WeakPolarHBondContact O-CE1 3.46Å; L249-K263 HydrophobicContact CB-CB 4.1Å; L249-K263 HydrophobicContact CD1-CD 4.25Å; L249-K263 PolarHBondContact O-N 2.91Å
250	C	97.6	Very high	94.6	Very high	1 Å²	1	52 Å²	52	1%	0.007	29%	0.29	C	S	.	.			trans	-149.6	174.2	177.8	61.3	0	0	0	0	110.1	N239 H248 Y254 P262	N239-C250 HydrophobicContact CB-CB 4.4Å; N239-C250 VanDerWaalsContact ND2-CB 3.26Å; N239-C250 WeakPolarHBondContact ND2-CB 3.32Å; H248-C250 PolarHBondContact O-N 3.4Å; C250-Y254 VanDerWaalsContact O-CB 3.28Å; C250-Y254 WeakPolarHBondContact O-CB 3.5Å; C250-P262 HydrophobicContact CB-CB 3.86Å
251	G	98.1	Very high	94.5	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.01	29%	0.287	C	S	.	.	S	Bend	trans	87.5	165.2	178.5	0	0	0	0	0	114.5	D212 D253 Y254 V255 Y276	D212-G251 WeakPolarHBondContact OD2-CA 3.28Å; D212-G251 PolarHBondContact OD2-N 2.82Å; G251-D253 VanDerWaalsContact C-N 3.33Å; G251-D253 PolarHBondContact O-N 3.36Å; G251-Y254 PolarHBondContact O-N 3.41Å; G251-Y254 VanDerWaalsContact O-N 3.15Å; G251-V255 WeakPolarHBondContact O-CG2 3.29Å; G251-V255 PolarHBondContact O-N 3.24Å; G251-Y276 CarbonylContact C-O 3.48Å; G251-Y276 WeakPolarHBondContact CA-O 3.49Å
252	A	98.2	Very high	94.7	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-56.8	-42.3	-170.1	0	0	0	0	0	113.4	V255 K256 Y276 D277 R282 V284	A252-V255 PolarHBondContact O-N 2.89Å; A252-K256 VanDerWaalsContact O-CB 3.26Å; A252-K256 WeakPolarHBondContact O-CB 3.2Å; A252-K256 PolarHBondContact O-N 3.43Å; A252-Y276 PolarHBondContact N-O 3.15Å; A252-D277 HydrophobicContact CB-CB 4.27Å; A252-R282 HydrophobicContact CB-CB 4.2Å; A252-V284 HydrophobicContact CB-CG1 4.4Å; A252-V284 HydrophobicContact CB-CG2 4.02Å
253	D	95.1	Very high	94.7	Very high	53 Å²	53	51.3 Å²	51.3	28%	0.283	27%	0.268	S	S	.	.	H	α-helix	trans	-64.3	-45	179.4	-168.9	83.8	0	0	0	111.6	H66 G251 K256 V257 R282	H66-D253 HydrophobicContact CB-CB 3.79Å; H66-D253 IonicContact CD2-OD1 2.91Å; G251-D253 VanDerWaalsContact C-N 3.33Å; G251-D253 PolarHBondContact O-N 3.36Å; D253-K256 PolarHBondContact O-N 2.94Å; D253-V257 VanDerWaalsContact O-CB 3.29Å; D253-V257 WeakPolarHBondContact O-CB 3.28Å; D253-V257 VanDerWaalsContact O-CG2 3.24Å; D253-V257 WeakPolarHBondContact O-CG2 3.24Å; D253-V257 PolarHBondContact O-N 3.24Å; D253-R282 IonicContact OD1-NH1 3.47Å
254	Y	96.3	Very high	94.5	Very high	30 Å²	30	48.6 Å²	48.6	12%	0.118	26%	0.259	C	S	.	.	H	α-helix	trans	-60.7	-49	176.1	172.7	-92.8	0	0	0	111.1	L249 C250 G251 K256 V257 Q258 R260	L249-Y254 HydrophobicContact CB-CE2 4.07Å; L249-Y254 HydrophobicContact CD2-CD2 4.43Å; L249-Y254 HydrophobicContact CD2-CE2 3.66Å; L249-Y254 WeakPolarHBondContact O-CE1 3.46Å; C250-Y254 VanDerWaalsContact O-CB 3.28Å; C250-Y254 WeakPolarHBondContact O-CB 3.5Å; G251-Y254 PolarHBondContact O-N 3.41Å; G251-Y254 VanDerWaalsContact O-N 3.15Å; Y254-K256 PolarHBondContact O-N 3.3Å; Y254-V257 PolarHBondContact O-N 3.18Å; Y254-Q258 HydrophobicContact CD2-CG 3.68Å; Y254-Q258 HydrophobicContact CE2-CB 4.42Å; Y254-Q258 HydrophobicContact CE2-CG 3.68Å; Y254-Q258 HydrophobicContact CG-CG 4.25Å; Y254-Q258 WeakPolarHBondContact O-CB 3.33Å; Y254-Q258 VanDerWaalsContact O-CG 3.28Å; Y254-Q258 WeakPolarHBondContact O-CG 3.35Å; Y254-Q258 PolarHBondContact O-N 2.93Å; Y254-R260 HydrophobicContact CE1-CG 4.21Å; Y254-R260 PolarHBondContact OH-NE 2.93Å; Y254-R260 PolarHBondContact OH-NH2 3.27Å
255	V	96.9	Very high	94.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.5	-44.5	-179	173.9	0	0	0	0	111.1	G251 A252 Q259 P262 S275 V284 Y286 F294 L296	G251-V255 WeakPolarHBondContact O-CG2 3.29Å; G251-V255 PolarHBondContact O-N 3.24Å; A252-V255 PolarHBondContact O-N 2.89Å; V255-Q259 WeakPolarHBondContact O-CA 3.49Å; V255-Q259 PolarHBondContact O-N 3.4Å; V255-P262 HydrophobicContact CG2-CB 4.37Å; V255-P262 HydrophobicContact CG2-CG 4.44Å; V255-S275 WeakPolarHBondContact CG2-OG 3.41Å; V255-V284 HydrophobicContact CB-CG2 4.04Å; V255-V284 HydrophobicContact CG1-CG2 3.95Å; V255-Y286 HydrophobicContact CB-CE1 4.47Å; V255-Y286 HydrophobicContact CG1-CD1 3.63Å; V255-Y286 HydrophobicContact CG1-CE1 3.87Å; V255-Y286 HydrophobicContact CG1-CG 4.31Å; V255-Y286 HydrophobicContact CG2-CE1 4.06Å; V255-F294 HydrophobicContact CG1-CE1 4.4Å; V255-F294 HydrophobicContact CG1-CZ 3.63Å; V255-L296 HydrophobicContact CG1-CD1 3.95Å
256	K	94.7	Very high	93.7	Very high	23 Å²	23	53.5 Å²	53.5	10%	0.1	28%	0.276	C	S	.	.	H	α-helix	trans	-63.9	-48.7	178	173.2	57.6	-179	170.3	0	112.2	A252 D253 Y254 Q259 L296 D298 A372	A252-K256 VanDerWaalsContact O-CB 3.26Å; A252-K256 WeakPolarHBondContact O-CB 3.2Å; A252-K256 PolarHBondContact O-N 3.43Å; D253-K256 PolarHBondContact O-N 2.94Å; Y254-K256 PolarHBondContact O-N 3.3Å; K256-Q259 WeakPolarHBondContact O-CG 3.48Å; K256-L296 HydrophobicContact CD-CD2 3.74Å; K256-D298 HydrophobicContact CD-CB 4.15Å; K256-D298 IonicContact NZ-OD2 3.17Å; K256-D298 PolarHBondContact NZ-OD2 2.57Å; K256-A372 VanDerWaalsContact CD-O 3.3Å; K256-A372 WeakPolarHBondContact CD-O 3.29Å; K256-A372 WeakPolarHBondContact CE-O 3.28Å
257	V	89.7	Confident	93.2	Very high	65 Å²	65	55 Å²	55	39%	0.394	28%	0.283	S	S	.	.	H	α-helix	trans	-74.9	-40.4	-173.6	174.1	0	0	0	0	111.5	D253 Y254	D253-V257 VanDerWaalsContact O-CB 3.29Å; D253-V257 WeakPolarHBondContact O-CB 3.28Å; D253-V257 VanDerWaalsContact O-CG2 3.24Å; D253-V257 WeakPolarHBondContact O-CG2 3.24Å; D253-V257 PolarHBondContact O-N 3.24Å; Y254-V257 PolarHBondContact O-N 3.18Å
258	Q	91.3	Very high	92.8	Very high	100 Å²	100	58.1 Å²	58.1	47%	0.467	30%	0.303	S	S	.	.	H	α-helix	trans	-86.9	-13.8	-178.9	-56.1	-59.7	-43.4	0	0	113.1	Y254 R260	Y254-Q258 HydrophobicContact CD2-CG 3.68Å; Y254-Q258 HydrophobicContact CE2-CB 4.42Å; Y254-Q258 HydrophobicContact CE2-CG 3.68Å; Y254-Q258 HydrophobicContact CG-CG 4.25Å; Y254-Q258 WeakPolarHBondContact O-CB 3.33Å; Y254-Q258 VanDerWaalsContact O-CG 3.28Å; Y254-Q258 WeakPolarHBondContact O-CG 3.35Å; Y254-Q258 PolarHBondContact O-N 2.93Å; Q258-R260 VanDerWaalsContact C-N 3.25Å; Q258-R260 HydrophobicContact CB-CG 3.79Å; Q258-R260 PolarHBondContact O-N 2.97Å
259	Q	91.4	Very high	92.4	Very high	70 Å²	70	56 Å²	56	33%	0.327	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.1	48.4	-175.6	-60.5	-168.8	28.9	0	0	112.5	V255 K256 F294 L296 N452	V255-Q259 WeakPolarHBondContact O-CA 3.49Å; V255-Q259 PolarHBondContact O-N 3.4Å; K256-Q259 WeakPolarHBondContact O-CG 3.48Å; Q259-F294 VanDerWaalsContact C-CD1 3.42Å; Q259-F294 VanDerWaalsContact C-CE1 3.44Å; Q259-F294 WeakPolarHBondContact O-CD1 3.43Å; Q259-L296 HydrophobicContact CG-CD2 4.36Å; Q259-N452 PolarHBondContact NE2-OD1 3.08Å
260	R	93.3	Very high	92	Very high	122 Å²	122	54.1 Å²	54.1	46%	0.46	30%	0.299	S	S	.	.	S	Bend	trans	-150.8	161.2	178.5	70.3	-172.6	-172.8	173.9	3.4	111.1	Y254 Q258	Y254-R260 HydrophobicContact CE1-CG 4.21Å; Y254-R260 PolarHBondContact OH-NE 2.93Å; Y254-R260 PolarHBondContact OH-NH2 3.27Å; Q258-R260 VanDerWaalsContact C-N 3.25Å; Q258-R260 HydrophobicContact CB-CG 3.79Å; Q258-R260 PolarHBondContact O-N 2.97Å
261	A	94.4	Very high	91.7	Very high	37 Å²	37	57.5 Å²	57.5	31%	0.306	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-60.8	147.3	177.6	0	0	0	0	0	112.2	V265 M267 F294	A261-V265 HydrophobicContact CB-CG1 4.2Å; A261-M267 HydrophobicContact CB-SD 4.37Å; A261-F294 HydrophobicContact CB-CD2 4.24Å; A261-F294 HydrophobicContact CB-CE2 4.2Å
262	P	95.7	Very high	91.6	Very high	7 Å²	7	59 Å²	59	5%	0.045	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-64.9	161.8	174.3	30.7	-37.6	0	0	0	111.7	D212 F238 C250 V255 V265 Y286	D212-P262 HydrophobicContact CB-CG 4.24Å; D212-P262 WeakPolarHBondContact OD2-CB 3.13Å; F238-P262 HydrophobicContact CE2-CB 4.32Å; F238-P262 HydrophobicContact CE2-CG 3.55Å; F238-P262 HydrophobicContact CZ-CG 3.87Å; C250-P262 HydrophobicContact CB-CB 3.86Å; V255-P262 HydrophobicContact CG2-CB 4.37Å; V255-P262 HydrophobicContact CG2-CG 4.44Å; P262-V265 HydrophobicContact CG-CG1 3.92Å; P262-Y286 WeakPolarHBondContact CD-OH 3.48Å; P262-Y286 WeakPolarHBondContact CG-OH 3.46Å
263	K	93.4	Very high	91.6	Very high	139 Å²	139	59 Å²	59	60%	0.604	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	142.8	169.9	-174.4	179.8	176.1	-173.8	0	109.6	N239 L249	N239-K263 PolarHBondContact ND2-O 3.4Å; N239-K263 PolarHBondContact OD1-O 3.05Å; L249-K263 HydrophobicContact CB-CB 4.1Å; L249-K263 HydrophobicContact CD1-CD 4.25Å; L249-K263 PolarHBondContact O-N 2.91Å
264	G	81.9	Confident	91.8	Very high	64 Å²	64	56.5 Å²	56.5	66%	0.66	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.6	10.5	171.1	0	0	0	0	0	115.4
265	V	86.3	Confident	91.9	Very high	29 Å²	29	55 Å²	55	18%	0.176	30%	0.301	C	S	.	.			trans	-116.5	133.6	173.4	70.6	0	0	0	0	110.9	L210 F238 A261 P262 M267	L210-V265 HydrophobicContact CD1-CG2 4.14Å; F238-V265 HydrophobicContact CD1-CG2 4.23Å; F238-V265 HydrophobicContact CD2-CB 4.07Å; F238-V265 HydrophobicContact CE1-CB 4.15Å; F238-V265 HydrophobicContact CE1-CG2 3.75Å; F238-V265 HydrophobicContact CE2-CB 3.65Å; F238-V265 HydrophobicContact CE2-CG1 4.22Å; F238-V265 HydrophobicContact CE2-CG2 4.2Å; F238-V265 HydrophobicContact CG-CB 4.48Å; F238-V265 HydrophobicContact CZ-CB 3.65Å; F238-V265 HydrophobicContact CZ-CG1 4.18Å; F238-V265 HydrophobicContact CZ-CG2 3.7Å; A261-V265 HydrophobicContact CB-CG1 4.2Å; P262-V265 HydrophobicContact CG-CG1 3.92Å; V265-M267 HydrophobicContact CB-CG 4.48Å; V265-M267 HydrophobicContact CG1-CG 4.03Å; V265-M267 HydrophobicContact CG1-SD 4.33Å; V265-M267 HydrophobicContact CG2-CG 3.67Å
266	E	85.1	Confident	92	Very high	188 Å²	188	55 Å²	55	88%	0.879	30%	0.301	S	S	*	.			trans	-104.6	117.9	162.7	-67.1	-172.6	174.2	0	0	106.9
267	M	86	Confident	92.1	Very high	38 Å²	38	54 Å²	54	19%	0.187	30%	0.297	C	S	.	.			trans	-109.2	128.7	-176.9	-62.4	-177.5	67.4	0	0	110.4	L210 A261 V265 C273 Y286	L210-M267 HydrophobicContact CD1-CG 4.5Å; A261-M267 HydrophobicContact CB-SD 4.37Å; V265-M267 HydrophobicContact CB-CG 4.48Å; V265-M267 HydrophobicContact CG1-CG 4.03Å; V265-M267 HydrophobicContact CG1-SD 4.33Å; V265-M267 HydrophobicContact CG2-CG 3.67Å; M267-C273 HydrophobicContact CE-CB 3.49Å; M267-C273 VanDerWaalsContact CE-CB 3.49Å; M267-C273 HydrophobicContact SD-CB 4.29Å; M267-Y286 HydrophobicContact CE-CD2 3.88Å; M267-Y286 HydrophobicContact CE-CE2 4.1Å; M267-Y286 HydrophobicContact SD-CD2 3.84Å; M267-Y286 HydrophobicContact SD-CE2 3.72Å
268	T	88.8	Confident	92.5	Very high	88 Å²	88	50.9 Å²	50.9	54%	0.54	28%	0.278	S	S	.	.			trans	-76.9	153.3	166.2	-43.8	0	0	0	0	109.8	G270 E271	T268-G270 PolarHBondContact O-N 3.45Å; T268-E271 WeakPolarHBondContact CB-OE1 3.36Å; T268-E271 PolarHBondContact N-OE2 2.9Å; T268-E271 PolarHBondContact O-N 3.43Å; T268-E271 PolarHBondContact OG1-OE1 2.9Å; T268-E271 PolarHBondContact OG1-OE2 3.38Å
269	A	90.2	Very high	92.9	Very high	60 Å²	60	46.1 Å²	46.1	50%	0.496	26%	0.256	S	S	.	.	B	Isolated β-bridge	trans	-58.4	123.4	177.9	0	0	0	0	0	111.2	S288	A269-S288 CarbonylContact C-O 3.57Å; A269-S288 VanDerWaalsContact CA-O 3.3Å; A269-S288 WeakPolarHBondContact CA-O 3.19Å
270	G	87.5	Confident	93.2	Very high	22 Å²	22	42.8 Å²	42.8	23%	0.227	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	1.7	177.9	0	0	0	0	0	116.4	T268 S288	T268-G270 PolarHBondContact O-N 3.45Å; G270-S288 PolarHBondContact N-O 2.85Å
271	E	92.3	Very high	93.5	Very high	72 Å²	72	37.2 Å²	37.2	34%	0.336	22%	0.219	S	C	.	.			trans	-66.7	135	171	-77.4	175.3	175	0	0	111.2	T268 Y287	T268-E271 WeakPolarHBondContact CB-OE1 3.36Å; T268-E271 PolarHBondContact N-OE2 2.9Å; T268-E271 PolarHBondContact O-N 3.43Å; T268-E271 PolarHBondContact OG1-OE1 2.9Å; T268-E271 PolarHBondContact OG1-OE2 3.38Å; E271-Y287 VanDerWaalsContact O-CB 3.24Å; E271-Y287 WeakPolarHBondContact O-CB 3.44Å
272	R	95.9	Very high	93.7	Very high	32 Å²	32	36.7 Å²	36.7	12%	0.121	21%	0.21	C	C	.	.			trans	-78	129.6	175.5	-58	-165.2	-57.4	-60.5	-6.3	109.1	D205 Q206 A208 L209 L210 E430 V440	D205-R272 PolarHBondContact O-NH1 3.05Å; Q206-R272 PolarHBondContact O-NH2 3.37Å; A208-R272 PolarHBondContact O-NH2 2.96Å; L209-R272 HydrophobicContact CD1-CB 3.86Å; L210-R272 PolarHBondContact N-O 2.95Å; R272-E430 IonicContact CZ-OE2 2.86Å; R272-E430 IonicContact NE-OE1 3.44Å; R272-E430 IonicContact NE-OE2 3.59Å; R272-E430 PolarHBondContact NE-OE2 2.91Å; R272-E430 IonicContact NH2-OE2 3.66Å; R272-E430 PolarHBondContact NH2-OE2 3.39Å; R272-V440 HydrophobicContact CG-CB 3.83Å; R272-V440 HydrophobicContact CG-CG1 3.94Å
273	C	97.7	Very high	93.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	148.7	173	-166.8	0	0	0	0	110.5	L210 M267 Y285 Y286	L210-C273 HydrophobicContact CB-CB 4.01Å; L210-C273 VanDerWaalsContact O-CA 3.25Å; L210-C273 WeakPolarHBondContact O-CA 3.26Å; L210-C273 PolarHBondContact O-SG 2.75Å; M267-C273 HydrophobicContact CE-CB 3.49Å; M267-C273 VanDerWaalsContact CE-CB 3.49Å; M267-C273 HydrophobicContact SD-CB 4.29Å; C273-Y285 CarbonylContact O-C 3.42Å; C273-Y285 WeakPolarHBondContact O-CA 3.3Å; C273-Y285 WeakPolarHBondContact O-CD1 3.49Å; C273-Y286 HydrophobicContact CB-CD2 3.8Å; C273-Y286 HydrophobicContact CB-CE2 3.41Å; C273-Y286 VanDerWaalsContact CB-CE2 3.41Å; C273-Y286 PolarHBondContact N-O 2.97Å; C273-Y286 PolarHBondContact O-N 3.33Å; C273-Y286 VanDerWaalsContact O-O 3.11Å; C273-Y286 WeakPolarHBondContact SG-CE2 3.28Å; C273-Y286 PolarHBondContact SG-OH 3.46Å
274	C	98.5	Very high	94.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	157.7	169.7	68.2	0	0	0	0	111.3	L210 D212 I283 V284 Y285	L210-C274 PolarHBondContact O-N 2.96Å; D212-C274 PolarHBondContact N-O 3.11Å; C274-I283 HydrophobicContact CB-CD1 3.99Å; C274-I283 HydrophobicContact CB-CG1 4.04Å; C274-V284 CarbonylContact C-O 3.46Å; C274-V284 WeakPolarHBondContact CA-O 3.27Å; C274-V284 WeakPolarHBondContact CB-O 3.45Å; C274-Y285 HydrophobicContact CB-CD1 4.11Å; C274-Y285 HydrophobicContact CB-CD2 3.74Å; C274-Y285 HydrophobicContact CB-CE1 4.09Å; C274-Y285 HydrophobicContact CB-CE2 3.7Å; C274-Y285 HydrophobicContact CB-CG 3.96Å
275	S	98.8	Very high	94.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	134.9	169.9	-67.3	0	0	0	0	111.2	D212 V255 I283 V284 Y286	D212-S275 VanDerWaalsContact CB-OG 3.26Å; D212-S275 WeakPolarHBondContact CB-OG 3.39Å; D212-S275 WeakPolarHBondContact OD2-CB 3.33Å; D212-S275 PolarHBondContact OD2-OG 2.86Å; V255-S275 WeakPolarHBondContact CG2-OG 3.41Å; S275-I283 WeakPolarHBondContact O-CA 3.49Å; S275-V284 PolarHBondContact N-O 2.88Å; S275-V284 PolarHBondContact O-N 2.89Å; S275-Y286 WeakPolarHBondContact OG-CE1 3.45Å; S275-Y286 PolarHBondContact OG-OH 3.38Å; S275-Y286 VanDerWaalsContact OG-OH 3.06Å
276	Y	98.7	Very high	95.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	163.5	162	-60.5	-29.1	0	0	0	111	V211 D212 A214 V222 G251 A252 R282 I283 A422 I423 M426	V211-Y276 HydrophobicContact CG1-CD2 4.13Å; V211-Y276 HydrophobicContact CG1-CE2 3.73Å; D212-Y276 PolarHBondContact O-N 3.48Å; A214-Y276 WeakPolarHBondContact CB-O 3.4Å; V222-Y276 HydrophobicContact CB-CE2 4.32Å; V222-Y276 HydrophobicContact CG1-CE2 4.25Å; G251-Y276 CarbonylContact C-O 3.48Å; G251-Y276 WeakPolarHBondContact CA-O 3.49Å; A252-Y276 PolarHBondContact N-O 3.15Å; Y276-R282 WeakPolarHBondContact CA-O 3.14Å; Y276-I283 HydrophobicContact CD1-CB 4.46Å; Y276-I283 HydrophobicContact CD1-CD1 4.37Å; Y276-I283 HydrophobicContact CD1-CG1 4.37Å; Y276-I283 HydrophobicContact CE1-CD1 3.95Å; Y276-I283 HydrophobicContact CE1-CG1 4.44Å; Y276-A422 HydrophobicContact CD1-CB 3.54Å; Y276-A422 HydrophobicContact CE1-CB 3.82Å; Y276-A422 HydrophobicContact CG-CB 4.31Å; Y276-I423 HydrophobicContact CE2-CG1 4.2Å; Y276-M426 HydrophobicContact CE1-CB 4.45Å; Y276-M426 PolarHBondContact OH-SD 3.3Å
277	D	98.4	Very high	96	Very high	1 Å²	1	17 Å²	17	1%	0.005	10%	0.1	C	C	.	.			trans	-93.4	176.1	158.3	78.8	-38.5	0	0	0	111.4	S65 A252 D279 A280 D281 R282	S65-D277 PolarHBondContact OG-OD2 3.09Å; A252-D277 HydrophobicContact CB-CB 4.27Å; D277-D279 VanDerWaalsContact C-N 3.25Å; D277-D279 PolarHBondContact O-N 3.43Å; D277-D279 VanDerWaalsContact O-N 3.11Å; D277-D279 VanDerWaalsContact OD2-OD1 3.06Å; D277-A280 PolarHBondContact O-N 3.29Å; D277-A280 WeakPolarHBondContact OD1-CA 3.27Å; D277-A280 PolarHBondContact OD1-N 2.69Å; D277-D281 PolarHBondContact OD1-N 2.99Å; D277-R282 HydrophobicContact CB-CB 4.18Å; D277-R282 HydrophobicContact CB-CG 4.28Å; D277-R282 PolarHBondContact N-O 2.84Å; D277-R282 PolarHBondContact OD1-N 3.04Å; D277-R282 IonicContact OD2-NE 3.18Å
278	G	98.1	Very high	96.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-30.8	-169.1	0	0	0	0	0	116.1	I217 N247	I217-G278 WeakPolarHBondContact CG2-O 3.43Å; I217-G278 PolarHBondContact N-O 3Å; N247-G278 WeakPolarHBondContact OD1-CA 3.48Å; N247-G278 PolarHBondContact OD1-N 3.17Å
279	D	98.6	Very high	96.5	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	8.4	176.8	68.6	-29.1	0	0	0	114.6	T63 S65 K75 T159 T160 D277 D281	T63-D279 HydrophobicContact CG2-CB 4.23Å; T63-D279 WeakPolarHBondContact CG2-OD2 3.4Å; T63-D279 WeakPolarHBondContact OG1-CB 3.39Å; S65-D279 WeakPolarHBondContact CA-OD1 3.39Å; S65-D279 VanDerWaalsContact CB-CG 3.5Å; S65-D279 WeakPolarHBondContact CB-OD1 3.32Å; S65-D279 PolarHBondContact OG-OD1 3.24Å; S65-D279 VanDerWaalsContact OG-OD1 3.12Å; K75-D279 IonicContact NZ-OD2 3.75Å; K75-D279 PolarHBondContact NZ-OD2 3.24Å; T159-D279 WeakPolarHBondContact CB-O 3.18Å; T160-D279 WeakPolarHBondContact CB-OD2 3.31Å; T160-D279 PolarHBondContact N-O 3.24Å; T160-D279 VanDerWaalsContact N-O 3.11Å; T160-D279 PolarHBondContact OG1-OD2 3.35Å; D277-D279 VanDerWaalsContact C-N 3.25Å; D277-D279 PolarHBondContact O-N 3.43Å; D277-D279 VanDerWaalsContact O-N 3.11Å; D277-D279 VanDerWaalsContact OD2-OD1 3.06Å; D279-D281 VanDerWaalsContact C-N 3.32Å; D279-D281 PolarHBondContact O-N 2.93Å
280	A	98.7	Very high	96.1	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	55.4	39.5	178.7	0	0	0	0	0	114.1	T159 P161 D277 A422	T159-A280 HydrophobicContact CG2-CB 3.92Å; P161-A280 WeakPolarHBondContact CG-O 3.07Å; D277-A280 PolarHBondContact O-N 3.29Å; D277-A280 WeakPolarHBondContact OD1-CA 3.27Å; D277-A280 PolarHBondContact OD1-N 2.69Å; A280-A422 HydrophobicContact CB-CB 4.24Å; A280-A422 VanDerWaalsContact O-CB 3.22Å; A280-A422 WeakPolarHBondContact O-CB 3.46Å; A280-A422 PolarHBondContact O-N 2.68Å
281	D	98.4	Very high	95.9	Very high	5 Å²	5	19.4 Å²	19.4	3%	0.027	12%	0.123	C	C	.	.	S	Bend	trans	-98.6	-1.3	170.4	82.9	24.4	0	0	0	113	K75 T160 P161 D277 D279 H375	K75-D281 IonicContact NZ-OD2 2.99Å; K75-D281 PolarHBondContact NZ-OD2 3.03Å; T160-D281 HydrophobicContact CG2-CB 4.34Å; P161-D281 HydrophobicContact CG-CB 4.4Å; D277-D281 PolarHBondContact OD1-N 2.99Å; D279-D281 VanDerWaalsContact C-N 3.32Å; D279-D281 PolarHBondContact O-N 2.93Å; D281-H375 VanDerWaalsContact CG-CE1 3.43Å; D281-H375 PolarHBondContact O-ND1 2.82Å; D281-H375 IonicContact OD1-CE1 3.29Å; D281-H375 PolarHBondContact OD1-CE1 3.06Å; D281-H375 IonicContact OD1-ND1 2.74Å; D281-H375 PolarHBondContact OD1-ND1 2.74Å; D281-H375 IonicContact OD2-CE1 2.74Å; D281-H375 IonicContact OD2-ND1 3Å
282	R	98.6	Very high	95.6	Very high	26 Å²	26	18.6 Å²	18.6	10%	0.098	14%	0.135	C	C	.	.			trans	-134.7	147.1	176.4	-42.2	-175.6	-175.5	175.6	-8.8	112.3	H66 A252 D253 Y276 D277 G374 H375 A422	H66-R282 PolarHBondContact ND1-NH1 2.84Å; H66-R282 PolarHBondContact ND1-NH2 2.85Å; A252-R282 HydrophobicContact CB-CB 4.2Å; D253-R282 IonicContact OD1-NH1 3.47Å; Y276-R282 WeakPolarHBondContact CA-O 3.14Å; D277-R282 HydrophobicContact CB-CB 4.18Å; D277-R282 HydrophobicContact CB-CG 4.28Å; D277-R282 PolarHBondContact N-O 2.84Å; D277-R282 PolarHBondContact OD1-N 3.04Å; D277-R282 IonicContact OD2-NE 3.18Å; R282-G374 WeakPolarHBondContact CA-O 3.39Å; R282-H375 HydrophobicContact CG-CB 3.99Å; R282-A422 VanDerWaalsContact O-CB 3.26Å; R282-A422 WeakPolarHBondContact O-CB 3.26Å
283	I	98.8	Very high	95.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	139.8	171.2	-174.5	169.8	0	0	0	111.7	C274 S275 Y276 Y285 I302 G374 A422 D425 M426	C274-I283 HydrophobicContact CB-CD1 3.99Å; C274-I283 HydrophobicContact CB-CG1 4.04Å; S275-I283 WeakPolarHBondContact O-CA 3.49Å; Y276-I283 HydrophobicContact CD1-CB 4.46Å; Y276-I283 HydrophobicContact CD1-CD1 4.37Å; Y276-I283 HydrophobicContact CD1-CG1 4.37Å; Y276-I283 HydrophobicContact CE1-CD1 3.95Å; Y276-I283 HydrophobicContact CE1-CG1 4.44Å; I283-Y285 HydrophobicContact CD1-CD2 4.08Å; I283-Y285 HydrophobicContact CD1-CE2 3.49Å; I283-Y285 VanDerWaalsContact CD1-CE2 3.49Å; I283-Y285 HydrophobicContact CG1-CD2 4.16Å; I283-Y285 HydrophobicContact CG1-CE2 4.08Å; I283-I302 HydrophobicContact CG2-CD1 3.96Å; I283-I302 WeakPolarHBondContact O-CD1 3.29Å; I283-G374 PolarHBondContact N-O 3.26Å; I283-G374 VanDerWaalsContact N-O 3.11Å; I283-G374 WeakPolarHBondContact O-CA 3.45Å; I283-A422 HydrophobicContact CB-CB 3.98Å; I283-D425 HydrophobicContact CG2-CB 3.68Å; I283-M426 HydrophobicContact CD1-CB 3.62Å; I283-M426 HydrophobicContact CD1-CG 4.26Å
284	V	98.8	Very high	95.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	146.9	164.5	-62.3	0	0	0	0	109.3	A252 V255 C274 S275 Y286 L296 D298	A252-V284 HydrophobicContact CB-CG1 4.4Å; A252-V284 HydrophobicContact CB-CG2 4.02Å; V255-V284 HydrophobicContact CB-CG2 4.04Å; V255-V284 HydrophobicContact CG1-CG2 3.95Å; C274-V284 CarbonylContact C-O 3.46Å; C274-V284 WeakPolarHBondContact CA-O 3.27Å; C274-V284 WeakPolarHBondContact CB-O 3.45Å; S275-V284 PolarHBondContact N-O 2.88Å; S275-V284 PolarHBondContact O-N 2.89Å; V284-Y286 HydrophobicContact CG2-CD1 4.5Å; V284-L296 HydrophobicContact CB-CD1 4.27Å; V284-L296 HydrophobicContact CG2-CD1 4.45Å; V284-D298 HydrophobicContact CG1-CB 4.46Å
285	Y	98.8	Very high	95	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	158.5	173.4	-90.5	-106.7	0	0	0	110.7	L209 C273 C274 I283 L297 M426 I429 E430 W443	L209-Y285 HydrophobicContact CD1-CE1 3.82Å; C273-Y285 CarbonylContact O-C 3.42Å; C273-Y285 WeakPolarHBondContact O-CA 3.3Å; C273-Y285 WeakPolarHBondContact O-CD1 3.49Å; C274-Y285 HydrophobicContact CB-CD1 4.11Å; C274-Y285 HydrophobicContact CB-CD2 3.74Å; C274-Y285 HydrophobicContact CB-CE1 4.09Å; C274-Y285 HydrophobicContact CB-CE2 3.7Å; C274-Y285 HydrophobicContact CB-CG 3.96Å; I283-Y285 HydrophobicContact CD1-CD2 4.08Å; I283-Y285 HydrophobicContact CD1-CE2 3.49Å; I283-Y285 VanDerWaalsContact CD1-CE2 3.49Å; I283-Y285 HydrophobicContact CG1-CD2 4.16Å; I283-Y285 HydrophobicContact CG1-CE2 4.08Å; Y285-L297 PolarHBondContact N-O 3.38Å; Y285-L297 CarbonylContact O-C 3.53Å; Y285-L297 WeakPolarHBondContact O-CA 3.34Å; Y285-L297 PolarHBondContact O-N 3.23Å; Y285-M426 WeakPolarHBondContact OH-CG 3.43Å; Y285-I429 HydrophobicContact CD2-CD1 3.93Å; Y285-I429 HydrophobicContact CD2-CG2 4.45Å; Y285-I429 HydrophobicContact CE1-CG2 4.18Å; Y285-I429 HydrophobicContact CE2-CB 4.19Å; Y285-I429 HydrophobicContact CE2-CD1 3.52Å; Y285-I429 HydrophobicContact CE2-CG1 4.46Å; Y285-I429 HydrophobicContact CE2-CG2 3.91Å; Y285-E430 VanDerWaalsContact CE1-OE1 3.28Å; Y285-E430 WeakPolarHBondContact CE1-OE1 3.27Å; Y285-E430 PolarHBondContact OH-OE1 3.14Å; Y285-W443 HydrophobicContact CD1-CH2 4.39Å; Y285-W443 AromaticContact CD1-CZ3 3.77Å; Y285-W443 HydrophobicContact CD1-CZ3 3.77Å; Y285-W443 AromaticContact CD2-CH2 3.96Å; Y285-W443 HydrophobicContact CD2-CH2 3.96Å; Y285-W443 HydrophobicContact CD2-CZ3 4.16Å; Y285-W443 HydrophobicContact CE1-CZ3 4.4Å; Y285-W443 AromaticContact CG-CH2 3.77Å; Y285-W443 HydrophobicContact CG-CH2 3.77Å; Y285-W443 AromaticContact CG-CZ3 3.61Å; Y285-W443 HydrophobicContact CG-CZ3 3.61Å
286	Y	98	Very high	95	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	164.7	174.7	48.9	-88.4	0	0	0	111.2	V255 P262 M267 C273 S275 V284 F294 H295	V255-Y286 HydrophobicContact CB-CE1 4.47Å; V255-Y286 HydrophobicContact CG1-CD1 3.63Å; V255-Y286 HydrophobicContact CG1-CE1 3.87Å; V255-Y286 HydrophobicContact CG1-CG 4.31Å; V255-Y286 HydrophobicContact CG2-CE1 4.06Å; P262-Y286 WeakPolarHBondContact CD-OH 3.48Å; P262-Y286 WeakPolarHBondContact CG-OH 3.46Å; M267-Y286 HydrophobicContact CE-CD2 3.88Å; M267-Y286 HydrophobicContact CE-CE2 4.1Å; M267-Y286 HydrophobicContact SD-CD2 3.84Å; M267-Y286 HydrophobicContact SD-CE2 3.72Å; C273-Y286 HydrophobicContact CB-CD2 3.8Å; C273-Y286 HydrophobicContact CB-CE2 3.41Å; C273-Y286 VanDerWaalsContact CB-CE2 3.41Å; C273-Y286 PolarHBondContact N-O 2.97Å; C273-Y286 PolarHBondContact O-N 3.33Å; C273-Y286 VanDerWaalsContact O-O 3.11Å; C273-Y286 WeakPolarHBondContact SG-CE2 3.28Å; C273-Y286 PolarHBondContact SG-OH 3.46Å; S275-Y286 WeakPolarHBondContact OG-CE1 3.45Å; S275-Y286 PolarHBondContact OG-OH 3.38Å; S275-Y286 VanDerWaalsContact OG-OH 3.06Å; V284-Y286 HydrophobicContact CG2-CD1 4.5Å; Y286-F294 VanDerWaalsContact CB-CZ 3.42Å; Y286-F294 HydrophobicContact CD1-CZ 4.31Å; Y286-F294 AromaticContact CD2-CE2 3.58Å; Y286-F294 HydrophobicContact CD2-CE2 3.58Å; Y286-F294 HydrophobicContact CD2-CZ 4.16Å; Y286-F294 HydrophobicContact CE2-CE2 4.42Å; Y286-F294 AromaticContact CG-CE2 3.63Å; Y286-F294 HydrophobicContact CG-CE2 3.63Å; Y286-F294 AromaticContact CG-CZ 3.72Å; Y286-F294 HydrophobicContact CG-CZ 3.72Å; Y286-H295 WeakPolarHBondContact CA-O 3.48Å; Y286-H295 WeakPolarHBondContact CB-O 3.49Å
287	Y	96.8	Very high	95	Very high	14 Å²	14	31 Å²	31	6%	0.055	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	165.5	171.4	72.2	-81.6	0	0	0	111	E271 H295 L297 V440 Q441 D444	E271-Y287 VanDerWaalsContact O-CB 3.24Å; E271-Y287 WeakPolarHBondContact O-CB 3.44Å; Y287-H295 HydrophobicContact CD1-CB 3.67Å; Y287-H295 HydrophobicContact CD2-CB 4.48Å; Y287-H295 HydrophobicContact CE1-CB 3.3Å; Y287-H295 AromaticContact CE1-CG 3.78Å; Y287-H295 HydrophobicContact CE2-CB 4.14Å; Y287-H295 AromaticContact CE2-CD2 3.92Å; Y287-H295 AromaticContact CE2-CG 3.95Å; Y287-H295 HydrophobicContact CG-CB 4.26Å; Y287-H295 AromaticContact CZ-CD2 3.88Å; Y287-H295 AromaticContact CZ-CG 3.46Å; Y287-H295 VanDerWaalsContact CZ-CG 3.46Å; Y287-H295 AromaticContact CZ-ND1 3.73Å; Y287-H295 PolarHBondContact N-O 3.49Å; Y287-H295 VanDerWaalsContact N-O 3.09Å; Y287-H295 PolarHBondContact O-N 2.91Å; Y287-H295 PolarHBondContact OH-ND1 2.89Å; Y287-L297 HydrophobicContact CD1-CD1 3.7Å; Y287-L297 HydrophobicContact CE1-CD1 3.97Å; Y287-V440 HydrophobicContact CD1-CB 4.34Å; Y287-V440 HydrophobicContact CD1-CG1 3.85Å; Y287-V440 HydrophobicContact CD1-CG2 3.62Å; Y287-V440 HydrophobicContact CD2-CG1 4.34Å; Y287-V440 HydrophobicContact CE1-CG1 4.46Å; Y287-V440 HydrophobicContact CE1-CG2 4.25Å; Y287-V440 HydrophobicContact CG-CG1 3.77Å; Y287-V440 HydrophobicContact CG-CG2 4.28Å; Y287-Q441 HydrophobicContact CD2-CG 4.26Å; Y287-Q441 HydrophobicContact CE2-CG 3.63Å; Y287-D444 HydrophobicContact CE1-CB 3.93Å; Y287-D444 PolarHBondContact OH-OD2 2.99Å
288	S	94.4	Very high	95	Very high	22 Å²	22	31.3 Å²	31.3	15%	0.154	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	125.9	170.3	-170.6	0	0	0	0	110	A269 G270	A269-S288 CarbonylContact C-O 3.57Å; A269-S288 VanDerWaalsContact CA-O 3.3Å; A269-S288 WeakPolarHBondContact CA-O 3.19Å; G270-S288 PolarHBondContact N-O 2.85Å
289	G	90.9	Very high	95	Very high	10 Å²	10	31.3 Å²	31.3	10%	0.103	19%	0.188	C	C	.	.			trans	-72.7	173.1	175.5	0	0	0	0	0	112.7	A291 G292 R293	G289-A291 PolarHBondContact O-N 3.48Å; G289-A291 VanDerWaalsContact O-N 3.1Å; G289-G292 PolarHBondContact O-N 3.42Å; G289-R293 PolarHBondContact N-O 2.88Å
290	S	82.4	Confident	95	Very high	130 Å²	130	31.3 Å²	31.3	91%	0.909	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-22.3	-179.7	52.1	0	0	0	0	114.7
291	A	82.6	Confident	95	Very high	95 Å²	95	31.3 Å²	31.3	79%	0.785	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.9	12.1	175	0	0	0	0	0	113.6	G289 R293	G289-A291 PolarHBondContact O-N 3.48Å; G289-A291 VanDerWaalsContact O-N 3.1Å; A291-R293 PolarHBondContact O-N 3.44Å
292	G	85.1	Confident	95	Very high	56 Å²	56	31 Å²	31	58%	0.577	19%	0.187	S	C	*	.	S	Bend	trans	72.9	9.6	-174.1	0	0	0	0	0	114.3	G289	G289-G292 PolarHBondContact O-N 3.42Å
293	R	90.9	Very high	95	Very high	179 Å²	179	29.8 Å²	29.8	68%	0.675	18%	0.182	S	C	*	.			trans	-70	133.6	177	-177.5	177.6	177.8	174.7	-0.3	109.6	G289 A291 H295	G289-R293 PolarHBondContact N-O 2.88Å; A291-R293 PolarHBondContact O-N 3.44Å; R293-H295 PolarHBondContact O-CD2 3.45Å; R293-H295 VanDerWaalsContact O-CD2 3.3Å
294	F	94.1	Very high	95	Very high	47 Å²	47	29.8 Å²	29.8	21%	0.206	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	133.4	172.9	-177.8	-97.8	0	0	0	111.1	V255 Q259 A261 Y286 L296	V255-F294 HydrophobicContact CG1-CE1 4.4Å; V255-F294 HydrophobicContact CG1-CZ 3.63Å; Q259-F294 VanDerWaalsContact C-CD1 3.42Å; Q259-F294 VanDerWaalsContact C-CE1 3.44Å; Q259-F294 WeakPolarHBondContact O-CD1 3.43Å; A261-F294 HydrophobicContact CB-CD2 4.24Å; A261-F294 HydrophobicContact CB-CE2 4.2Å; Y286-F294 VanDerWaalsContact CB-CZ 3.42Å; Y286-F294 HydrophobicContact CD1-CZ 4.31Å; Y286-F294 AromaticContact CD2-CE2 3.58Å; Y286-F294 HydrophobicContact CD2-CE2 3.58Å; Y286-F294 HydrophobicContact CD2-CZ 4.16Å; Y286-F294 HydrophobicContact CE2-CE2 4.42Å; Y286-F294 AromaticContact CG-CE2 3.63Å; Y286-F294 HydrophobicContact CG-CE2 3.63Å; Y286-F294 AromaticContact CG-CZ 3.72Å; Y286-F294 HydrophobicContact CG-CZ 3.72Å; F294-L296 HydrophobicContact CE1-CB 3.93Å; F294-L296 HydrophobicContact CE1-CD1 4.41Å
295	H	96.2	Very high	95	Very high	44 Å²	44	29.8 Å²	29.8	20%	0.204	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	121.6	175.2	-73.4	-107.7	0	0	0	109.5	Y286 Y287 R293 D444	Y286-H295 WeakPolarHBondContact CA-O 3.48Å; Y286-H295 WeakPolarHBondContact CB-O 3.49Å; Y287-H295 HydrophobicContact CD1-CB 3.67Å; Y287-H295 HydrophobicContact CD2-CB 4.48Å; Y287-H295 HydrophobicContact CE1-CB 3.3Å; Y287-H295 AromaticContact CE1-CG 3.78Å; Y287-H295 HydrophobicContact CE2-CB 4.14Å; Y287-H295 AromaticContact CE2-CD2 3.92Å; Y287-H295 AromaticContact CE2-CG 3.95Å; Y287-H295 HydrophobicContact CG-CB 4.26Å; Y287-H295 AromaticContact CZ-CD2 3.88Å; Y287-H295 AromaticContact CZ-CG 3.46Å; Y287-H295 VanDerWaalsContact CZ-CG 3.46Å; Y287-H295 AromaticContact CZ-ND1 3.73Å; Y287-H295 PolarHBondContact N-O 3.49Å; Y287-H295 VanDerWaalsContact N-O 3.09Å; Y287-H295 PolarHBondContact O-N 2.91Å; Y287-H295 PolarHBondContact OH-ND1 2.89Å; R293-H295 PolarHBondContact O-CD2 3.45Å; R293-H295 VanDerWaalsContact O-CD2 3.3Å; H295-D444 IonicContact CE1-OD2 3.58Å; H295-D444 IonicContact CG-OD2 3.79Å; H295-D444 IonicContact ND1-OD2 3.49Å; H295-D444 PolarHBondContact ND1-OD2 3.27Å
296	L	97.1	Very high	95	Very high	22 Å²	22	29.8 Å²	29.8	12%	0.115	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	135.8	177.5	-179.1	64.5	0	0	0	110.4	V255 K256 Q259 V284 F294 D298	V255-L296 HydrophobicContact CG1-CD1 3.95Å; K256-L296 HydrophobicContact CD-CD2 3.74Å; Q259-L296 HydrophobicContact CG-CD2 4.36Å; V284-L296 HydrophobicContact CB-CD1 4.27Å; V284-L296 HydrophobicContact CG2-CD1 4.45Å; F294-L296 HydrophobicContact CE1-CB 3.93Å; F294-L296 HydrophobicContact CE1-CD1 4.41Å; L296-D298 HydrophobicContact CD2-CB 4.12Å; L296-D298 HydrophobicContact CG-CB 4.11Å
297	L	98.6	Very high	95	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	90.2	168.7	-61.8	94	0	0	0	108.7	Y285 Y287 K301 V440 W443 D444	Y285-L297 PolarHBondContact N-O 3.38Å; Y285-L297 CarbonylContact O-C 3.53Å; Y285-L297 WeakPolarHBondContact O-CA 3.34Å; Y285-L297 PolarHBondContact O-N 3.23Å; Y287-L297 HydrophobicContact CD1-CD1 3.7Å; Y287-L297 HydrophobicContact CE1-CD1 3.97Å; L297-K301 HydrophobicContact CB-CB 4.01Å; L297-K301 HydrophobicContact CB-CG 4.32Å; L297-V440 HydrophobicContact CD1-CG2 3.81Å; L297-V440 HydrophobicContact CD2-CG2 4.04Å; L297-W443 HydrophobicContact CB-CH2 4.04Å; L297-W443 HydrophobicContact CB-CZ2 4.1Å; L297-W443 HydrophobicContact CB-CZ3 4.34Å; L297-W443 HydrophobicContact CD2-CB 4.22Å; L297-W443 HydrophobicContact CD2-CD2 3.28Å; L297-W443 HydrophobicContact CD2-CE3 3.45Å; L297-W443 VanDerWaalsContact CD2-CE3 3.45Å; L297-W443 HydrophobicContact CD2-CG 3.68Å; L297-W443 HydrophobicContact CD2-CH2 4.2Å; L297-W443 HydrophobicContact CD2-CZ2 4.08Å; L297-W443 HydrophobicContact CD2-CZ3 3.9Å; L297-D444 HydrophobicContact CD2-CB 4.06Å; L297-D444 HydrophobicContact CG-CB 4.42Å
298	D	98.3	Very high	95.1	Very high	7 Å²	7	29.3 Å²	29.3	4%	0.037	18%	0.181	C	C	.	.			trans	-87.2	-168.7	-173.6	74.2	10.3	0	0	0	113.5	K256 V284 L296 D300 K301 I302 A372	K256-D298 HydrophobicContact CD-CB 4.15Å; K256-D298 IonicContact NZ-OD2 3.17Å; K256-D298 PolarHBondContact NZ-OD2 2.57Å; V284-D298 HydrophobicContact CG1-CB 4.46Å; L296-D298 HydrophobicContact CD2-CB 4.12Å; L296-D298 HydrophobicContact CG-CB 4.11Å; D298-D300 PolarHBondContact O-N 3.16Å; D298-D300 VanDerWaalsContact O-N 3.17Å; D298-D300 PolarHBondContact OD1-N 3.28Å; D298-K301 WeakPolarHBondContact O-CB 3.47Å; D298-K301 PolarHBondContact O-N 3.06Å; D298-I302 WeakPolarHBondContact O-CG1 3.24Å; D298-I302 PolarHBondContact O-N 2.9Å; D298-A372 WeakPolarHBondContact CB-O 3.18Å
299	G	98.6	Very high	95.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-55.8	-31	-178.6	0	0	0	0	0	115	I302 A303 F370 E371	G299-I302 PolarHBondContact O-N 3.47Å; G299-A303 WeakPolarHBondContact O-CB 3.14Å; G299-A303 PolarHBondContact O-N 2.85Å; G299-F370 VanDerWaalsContact O-CB 3.25Å; G299-F370 WeakPolarHBondContact O-CB 3.46Å; G299-E371 WeakPolarHBondContact CA-O 3.29Å
300	D	98.6	Very high	95.6	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-73.2	-36.3	177.4	-65	-51.6	0	0	0	111.6	D298 I302 A303 T304 Q327 A331 N332	D298-D300 PolarHBondContact O-N 3.16Å; D298-D300 VanDerWaalsContact O-N 3.17Å; D298-D300 PolarHBondContact OD1-N 3.28Å; D300-I302 VanDerWaalsContact C-N 3.28Å; D300-I302 PolarHBondContact O-N 3.18Å; D300-A303 PolarHBondContact O-N 3.06Å; D300-T304 WeakPolarHBondContact O-CB 3.26Å; D300-T304 VanDerWaalsContact O-CG2 3.32Å; D300-T304 WeakPolarHBondContact O-CG2 3.49Å; D300-T304 PolarHBondContact O-N 3.2Å; D300-T304 PolarHBondContact O-OG1 3.01Å; D300-Q327 PolarHBondContact OD1-NE2 3.45Å; D300-A331 VanDerWaalsContact OD1-CB 3.27Å; D300-A331 WeakPolarHBondContact OD1-CB 3.49Å; D300-A331 WeakPolarHBondContact OD2-CA 3.36Å; D300-N332 PolarHBondContact OD2-N 3.38Å
301	K	98.8	Very high	96.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.8	-35.7	172.5	-68.1	-83	-171.5	163.8	0	111.2	L297 D298 T304 L305 W443 D444 Y447 D449	L297-K301 HydrophobicContact CB-CB 4.01Å; L297-K301 HydrophobicContact CB-CG 4.32Å; D298-K301 WeakPolarHBondContact O-CB 3.47Å; D298-K301 PolarHBondContact O-N 3.06Å; K301-T304 WeakPolarHBondContact CA-OG1 3.4Å; K301-T304 PolarHBondContact O-OG1 3.41Å; K301-L305 WeakPolarHBondContact O-CB 3.38Å; K301-L305 PolarHBondContact O-N 3.32Å; K301-L305 VanDerWaalsContact O-N 3.12Å; K301-W443 HydrophobicContact CB-CZ2 4.06Å; K301-W443 PolarHBondContact O-NE1 3.23Å; K301-D444 PolarHBondContact NZ-O 2.6Å; K301-D444 IonicContact NZ-OD1 3.68Å; K301-D444 PolarHBondContact NZ-OD1 3.21Å; K301-Y447 HydrophobicContact CD-CE1 3.78Å; K301-Y447 HydrophobicContact CD-CE2 4.35Å; K301-Y447 WeakPolarHBondContact CD-OH 3.31Å; K301-Y447 WeakPolarHBondContact CG-OH 3.44Å; K301-Y447 PolarHBondContact N-OH 3.06Å; K301-Y447 PolarHBondContact NZ-O 3.04Å; K301-D449 WeakPolarHBondContact CE-OD2 3.26Å
302	I	98.8	Very high	97	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-67.8	-50.2	174.5	-63.3	169.1	0	0	0	110.3	I283 D298 G299 D300 T304 L305 I306 F370 I429 W443	I283-I302 HydrophobicContact CG2-CD1 3.96Å; I283-I302 WeakPolarHBondContact O-CD1 3.29Å; D298-I302 WeakPolarHBondContact O-CG1 3.24Å; D298-I302 PolarHBondContact O-N 2.9Å; G299-I302 PolarHBondContact O-N 3.47Å; D300-I302 VanDerWaalsContact C-N 3.28Å; D300-I302 PolarHBondContact O-N 3.18Å; I302-T304 VanDerWaalsContact C-N 3.33Å; I302-T304 PolarHBondContact O-N 2.94Å; I302-L305 PolarHBondContact O-N 3.45Å; I302-I306 HydrophobicContact CG2-CD1 3.54Å; I302-I306 HydrophobicContact CG2-CG1 4.38Å; I302-I306 WeakPolarHBondContact O-CG1 3.43Å; I302-I306 PolarHBondContact O-N 2.95Å; I302-F370 HydrophobicContact CB-CD1 4.31Å; I302-F370 HydrophobicContact CB-CE1 4.35Å; I302-F370 HydrophobicContact CG2-CD1 3.97Å; I302-F370 HydrophobicContact CG2-CD2 4.47Å; I302-F370 HydrophobicContact CG2-CE1 3.54Å; I302-F370 HydrophobicContact CG2-CE2 4.09Å; I302-F370 HydrophobicContact CG2-CG 4.45Å; I302-F370 HydrophobicContact CG2-CZ 3.61Å; I302-I429 HydrophobicContact CB-CD1 4.45Å; I302-I429 HydrophobicContact CD1-CD1 3.96Å; I302-I429 HydrophobicContact CG1-CD1 3.79Å; I302-I429 HydrophobicContact CG2-CD1 3.89Å; I302-I429 HydrophobicContact CG2-CG1 4.26Å; I302-W443 HydrophobicContact CG1-CH2 4.06Å; I302-W443 HydrophobicContact CG1-CZ2 3.91Å
303	A	98.8	Very high	97.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-58.4	-43.2	179	0	0	0	0	0	112.6	G299 D300 S307 V325 V368 F370	G299-A303 WeakPolarHBondContact O-CB 3.14Å; G299-A303 PolarHBondContact O-N 2.85Å; D300-A303 PolarHBondContact O-N 3.06Å; A303-S307 WeakPolarHBondContact O-CB 3.35Å; A303-S307 PolarHBondContact O-N 3.27Å; A303-S307 PolarHBondContact O-OG 2.95Å; A303-V325 HydrophobicContact CB-CG1 4.11Å; A303-V368 HydrophobicContact CB-CG1 4.13Å; A303-F370 HydrophobicContact CB-CB 4.08Å; A303-F370 HydrophobicContact CB-CD2 3.82Å; A303-F370 HydrophobicContact CB-CG 4.24Å
304	T	98.6	Very high	98	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-66.9	-40.7	177.7	48.5	0	0	0	0	112.3	D300 K301 I302 S307 T308 Y338 L339 Y447	D300-T304 WeakPolarHBondContact O-CB 3.26Å; D300-T304 VanDerWaalsContact O-CG2 3.32Å; D300-T304 WeakPolarHBondContact O-CG2 3.49Å; D300-T304 PolarHBondContact O-N 3.2Å; D300-T304 PolarHBondContact O-OG1 3.01Å; K301-T304 WeakPolarHBondContact CA-OG1 3.4Å; K301-T304 PolarHBondContact O-OG1 3.41Å; I302-T304 VanDerWaalsContact C-N 3.33Å; I302-T304 PolarHBondContact O-N 2.94Å; T304-S307 WeakPolarHBondContact CA-OG 3.16Å; T304-S307 PolarHBondContact O-OG 3.22Å; T304-T308 VanDerWaalsContact O-CB 3.24Å; T304-T308 WeakPolarHBondContact O-CB 3.15Å; T304-T308 PolarHBondContact O-N 2.86Å; T304-T308 PolarHBondContact O-OG1 3.13Å; T304-Y338 HydrophobicContact CG2-CD1 4.11Å; T304-L339 HydrophobicContact CG2-CD1 4.11Å; T304-L339 HydrophobicContact CG2-CD2 3.8Å; T304-L339 HydrophobicContact CG2-CG 3.83Å; T304-Y447 HydrophobicContact CG2-CD1 4.4Å; T304-Y447 HydrophobicContact CG2-CE1 3.73Å; T304-Y447 WeakPolarHBondContact OG1-CE1 3.25Å
305	L	98.8	Very high	98.1	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-61.1	-51.7	175.1	179.8	66.5	0	0	0	111.5	K301 I302 T308 Y309 I429 V432 L433 M438 W443 I446	K301-L305 WeakPolarHBondContact O-CB 3.38Å; K301-L305 PolarHBondContact O-N 3.32Å; K301-L305 VanDerWaalsContact O-N 3.12Å; I302-L305 PolarHBondContact O-N 3.45Å; L305-T308 PolarHBondContact O-N 3.3Å; L305-Y309 PolarHBondContact O-N 2.72Å; L305-I429 HydrophobicContact CD2-CG1 4.48Å; L305-I429 HydrophobicContact CD2-CG2 4.05Å; L305-V432 HydrophobicContact CD1-CG1 3.81Å; L305-V432 HydrophobicContact CD2-CG1 4.3Å; L305-V432 HydrophobicContact CG-CG1 3.9Å; L305-L433 HydrophobicContact CD2-CD2 4.3Å; L305-M438 HydrophobicContact CD1-SD 4.31Å; L305-W443 HydrophobicContact CD1-CG 4.38Å; L305-W443 HydrophobicContact CD2-CD2 3.93Å; L305-W443 HydrophobicContact CD2-CE3 4.36Å; L305-W443 HydrophobicContact CD2-CG 4.32Å; L305-W443 HydrophobicContact CD2-CZ2 4.07Å; L305-I446 HydrophobicContact CD1-CD1 4.33Å
306	I	98.6	Very high	98.2	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-66.8	-47.2	-176.5	-66.9	169	0	0	0	110.9	I302 T308 Y309 L310 F370 V378 L428	I302-I306 HydrophobicContact CG2-CD1 3.54Å; I302-I306 HydrophobicContact CG2-CG1 4.38Å; I302-I306 WeakPolarHBondContact O-CG1 3.43Å; I302-I306 PolarHBondContact O-N 2.95Å; I306-T308 VanDerWaalsContact C-N 3.28Å; I306-T308 PolarHBondContact O-N 2.98Å; I306-Y309 PolarHBondContact O-N 3.33Å; I306-L310 HydrophobicContact CG2-CD1 3.74Å; I306-L310 HydrophobicContact CG2-CG 4.21Å; I306-L310 WeakPolarHBondContact O-CB 3.22Å; I306-L310 VanDerWaalsContact O-CG 3.32Å; I306-L310 WeakPolarHBondContact O-CG 3.3Å; I306-L310 PolarHBondContact O-N 2.87Å; I306-F370 HydrophobicContact CD1-CE2 3.96Å; I306-F370 HydrophobicContact CD1-CZ 3.89Å; I306-V378 HydrophobicContact CG2-CG2 3.7Å; I306-L428 HydrophobicContact CD1-CD2 3.59Å; I306-L428 HydrophobicContact CD1-CG 4.35Å; I306-L428 HydrophobicContact CG1-CD2 3.84Å; I306-L428 HydrophobicContact CG1-CG 4.29Å; I306-L428 HydrophobicContact CG2-CD2 4.11Å
307	S	98.5	Very high	98.2	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-63	-35.4	179.3	58.5	0	0	0	0	112.4	A303 T304 K311	A303-S307 WeakPolarHBondContact O-CB 3.35Å; A303-S307 PolarHBondContact O-N 3.27Å; A303-S307 PolarHBondContact O-OG 2.95Å; T304-S307 WeakPolarHBondContact CA-OG 3.16Å; T304-S307 PolarHBondContact O-OG 3.22Å; S307-K311 VanDerWaalsContact O-CB 3.31Å; S307-K311 WeakPolarHBondContact O-CB 3.36Å; S307-K311 PolarHBondContact O-N 3.49Å
308	T	98.1	Very high	98.1	Very high	4 Å²	4	20.2 Å²	20.2	3%	0.025	11%	0.114	C	C	.	.	H	α-helix	trans	-62.8	-51	173.3	-57.6	0	0	0	0	111.5	T304 L305 I306 L310 K311 E312 M343	T304-T308 VanDerWaalsContact O-CB 3.24Å; T304-T308 WeakPolarHBondContact O-CB 3.15Å; T304-T308 PolarHBondContact O-N 2.86Å; T304-T308 PolarHBondContact O-OG1 3.13Å; L305-T308 PolarHBondContact O-N 3.3Å; I306-T308 VanDerWaalsContact C-N 3.28Å; I306-T308 PolarHBondContact O-N 2.98Å; T308-L310 PolarHBondContact O-N 3.01Å; T308-K311 PolarHBondContact O-N 3.26Å; T308-E312 WeakPolarHBondContact O-CG 3.32Å; T308-E312 PolarHBondContact O-N 3.18Å; T308-M343 VanDerWaalsContact CA-CE 3.47Å; T308-M343 HydrophobicContact CG2-CE 4.13Å; T308-M343 HydrophobicContact CG2-SD 4Å
309	Y	98.4	Very high	98	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.016	12%	0.12	C	C	.	.	H	α-helix	trans	-59.1	-45.3	177.9	172.2	-111.5	0	0	0	112.5	L305 I306 E312 L313 T411 V432 I435	L305-Y309 PolarHBondContact O-N 2.72Å; I306-Y309 PolarHBondContact O-N 3.33Å; Y309-E312 PolarHBondContact O-N 2.89Å; Y309-L313 HydrophobicContact CD1-CD1 4.24Å; Y309-L313 HydrophobicContact CD2-CD1 4.38Å; Y309-L313 HydrophobicContact CD2-CG 4.36Å; Y309-L313 HydrophobicContact CE1-CD1 3.6Å; Y309-L313 HydrophobicContact CE2-CD1 3.76Å; Y309-L313 HydrophobicContact CE2-CD2 4.36Å; Y309-L313 HydrophobicContact CE2-CG 3.99Å; Y309-L313 WeakPolarHBondContact O-CG 3.33Å; Y309-L313 PolarHBondContact O-N 3.17Å; Y309-L313 WeakPolarHBondContact OH-CD1 3.47Å; Y309-T411 HydrophobicContact CE1-CG2 4.23Å; Y309-T411 WeakPolarHBondContact CE1-OG1 3.42Å; Y309-V432 HydrophobicContact CD1-CG2 3.52Å; Y309-V432 HydrophobicContact CD2-CG1 4.23Å; Y309-V432 HydrophobicContact CD2-CG2 4.23Å; Y309-V432 HydrophobicContact CE1-CG2 3.85Å; Y309-V432 HydrophobicContact CG-CG1 4.03Å; Y309-V432 HydrophobicContact CG-CG2 3.7Å; Y309-I435 HydrophobicContact CE2-CD1 4.29Å; Y309-I435 HydrophobicContact CE2-CG2 4.2Å; Y309-I435 WeakPolarHBondContact OH-CD1 3.3Å
310	L	98.6	Very high	97.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.9	-44.7	177.7	-70	173.3	0	0	0	111.7	I306 T308 E312 L313 L314 I323 I366 V368 V378 F380 L408 T411	I306-L310 HydrophobicContact CG2-CD1 3.74Å; I306-L310 HydrophobicContact CG2-CG 4.21Å; I306-L310 WeakPolarHBondContact O-CB 3.22Å; I306-L310 VanDerWaalsContact O-CG 3.32Å; I306-L310 WeakPolarHBondContact O-CG 3.3Å; I306-L310 PolarHBondContact O-N 2.87Å; T308-L310 PolarHBondContact O-N 3.01Å; L310-E312 PolarHBondContact O-N 2.85Å; L310-L313 PolarHBondContact O-N 3.04Å; L310-L314 VanDerWaalsContact O-CG 3.31Å; L310-L314 WeakPolarHBondContact O-CG 3.49Å; L310-L314 PolarHBondContact O-N 2.73Å; L310-I323 HydrophobicContact CB-CD1 4Å; L310-I366 HydrophobicContact CD1-CG2 4.07Å; L310-V368 HydrophobicContact CD1-CG2 4.02Å; L310-V378 HydrophobicContact CD1-CG1 3.97Å; L310-V378 HydrophobicContact CD1-CG2 4.35Å; L310-F380 HydrophobicContact CD1-CZ 4.41Å; L310-F380 HydrophobicContact CD2-CE1 4.46Å; L310-F380 HydrophobicContact CD2-CZ 4.22Å; L310-L408 HydrophobicContact CD2-CD2 3.95Å; L310-T411 HydrophobicContact CD2-CG2 3.82Å
311	K	97.9	Very high	97.8	Very high	64 Å²	64	29.4 Å²	29.4	28%	0.278	16%	0.163	S	C	.	.	H	α-helix	trans	-62.5	-42.7	178.2	-176.7	174.3	-179	167.7	0	112.2	S307 T308 L314 T315 M343 V345	S307-K311 VanDerWaalsContact O-CB 3.31Å; S307-K311 WeakPolarHBondContact O-CB 3.36Å; S307-K311 PolarHBondContact O-N 3.49Å; T308-K311 PolarHBondContact O-N 3.26Å; K311-L314 PolarHBondContact O-N 2.79Å; K311-T315 WeakPolarHBondContact O-CB 3.26Å; K311-T315 PolarHBondContact O-N 2.89Å; K311-T315 PolarHBondContact O-OG1 2.84Å; K311-M343 HydrophobicContact CB-CE 4.07Å; K311-M343 HydrophobicContact CD-CE 3.67Å; K311-M343 HydrophobicContact CG-CE 4.42Å; K311-M343 PolarHBondContact NZ-O 2.92Å; K311-V345 HydrophobicContact CD-CG1 3.89Å
312	E	97.1	Very high	97.7	Very high	69 Å²	69	34 Å²	34	32%	0.322	18%	0.184	S	C	.	.	H	α-helix	trans	-58.8	-47.8	175.2	-73.8	172.4	178.6	0	0	110.6	T308 Y309 L310 T315 Q316 R436	T308-E312 WeakPolarHBondContact O-CG 3.32Å; T308-E312 PolarHBondContact O-N 3.18Å; Y309-E312 PolarHBondContact O-N 2.89Å; L310-E312 PolarHBondContact O-N 2.85Å; E312-T315 WeakPolarHBondContact O-CB 3.22Å; E312-T315 PolarHBondContact O-N 3.12Å; E312-Q316 WeakPolarHBondContact O-CG 3.22Å; E312-Q316 PolarHBondContact O-N 3.15Å; E312-R436 IonicContact OE1-CZ 3.97Å; E312-R436 IonicContact OE1-NH2 3.84Å; E312-R436 PolarHBondContact OE1-NH2 3.31Å; E312-R436 IonicContact OE2-NE 3.83Å; E312-R436 IonicContact OE2-NH2 2.93Å
313	L	97.9	Very high	97.7	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.021	19%	0.188	C	C	.	.	H	α-helix	trans	-65.8	-40.2	178.8	-73.3	-176	0	0	0	113.7	Y309 L310 T315 Q316 A317 A404 L407 L408	Y309-L313 HydrophobicContact CD1-CD1 4.24Å; Y309-L313 HydrophobicContact CD2-CD1 4.38Å; Y309-L313 HydrophobicContact CD2-CG 4.36Å; Y309-L313 HydrophobicContact CE1-CD1 3.6Å; Y309-L313 HydrophobicContact CE2-CD1 3.76Å; Y309-L313 HydrophobicContact CE2-CD2 4.36Å; Y309-L313 HydrophobicContact CE2-CG 3.99Å; Y309-L313 WeakPolarHBondContact O-CG 3.33Å; Y309-L313 PolarHBondContact O-N 3.17Å; Y309-L313 WeakPolarHBondContact OH-CD1 3.47Å; L310-L313 PolarHBondContact O-N 3.04Å; L313-T315 VanDerWaalsContact C-N 3.28Å; L313-T315 PolarHBondContact O-N 2.95Å; L313-Q316 PolarHBondContact O-N 3.46Å; L313-A317 VanDerWaalsContact O-CB 3.24Å; L313-A317 WeakPolarHBondContact O-CB 3.4Å; L313-A317 PolarHBondContact O-N 2.91Å; L313-A404 HydrophobicContact CD2-CB 4.37Å; L313-L407 HydrophobicContact CD1-CB 3.87Å; L313-L407 HydrophobicContact CD2-CB 4.02Å; L313-L407 HydrophobicContact CD2-CD1 3.81Å; L313-L408 HydrophobicContact CB-CD1 4.19Å; L313-L408 HydrophobicContact CB-CD2 3.71Å; L313-L408 HydrophobicContact CB-CG 3.75Å; L313-L408 HydrophobicContact CD1-CD2 3.91Å; L313-L408 HydrophobicContact CD1-CG 3.96Å
314	L	97.9	Very high	97.7	Very high	10 Å²	10	34.7 Å²	34.7	5%	0.052	19%	0.188	C	C	.	.	H	α-helix	trans	-59.9	-42.5	174.8	-73.9	177	0	0	0	111.3	L310 K311 A317 G318 L319 L321 I366 L408	L310-L314 VanDerWaalsContact O-CG 3.31Å; L310-L314 WeakPolarHBondContact O-CG 3.49Å; L310-L314 PolarHBondContact O-N 2.73Å; K311-L314 PolarHBondContact O-N 2.79Å; L314-A317 PolarHBondContact O-N 3.06Å; L314-G318 PolarHBondContact O-N 3.44Å; L314-L319 HydrophobicContact CD2-CB 3.93Å; L314-L319 HydrophobicContact CD2-CD1 4.29Å; L314-L319 PolarHBondContact O-N 2.64Å; L314-L321 HydrophobicContact CD1-CB 4.18Å; L314-L321 HydrophobicContact CD2-CB 4.12Å; L314-L321 HydrophobicContact CD2-CD1 3.74Å; L314-L321 HydrophobicContact CD2-CG 4.3Å; L314-I366 HydrophobicContact CD1-CD1 3.82Å; L314-I366 HydrophobicContact CD2-CD1 4.15Å; L314-I366 HydrophobicContact CG-CD1 4.34Å; L314-L408 HydrophobicContact CD2-CD1 3.94Å; L314-L408 HydrophobicContact CD2-CD2 4.47Å
315	T	97.1	Very high	97.7	Very high	105 Å²	105	34.7 Å²	34.7	64%	0.644	19%	0.188	S	C	*	.	H	α-helix	trans	-62.3	-47.8	177	-54.8	0	0	0	0	110.7	K311 E312 L313 A317 G318	K311-T315 WeakPolarHBondContact O-CB 3.26Å; K311-T315 PolarHBondContact O-N 2.89Å; K311-T315 PolarHBondContact O-OG1 2.84Å; E312-T315 WeakPolarHBondContact O-CB 3.22Å; E312-T315 PolarHBondContact O-N 3.12Å; L313-T315 VanDerWaalsContact C-N 3.28Å; L313-T315 PolarHBondContact O-N 2.95Å; T315-A317 VanDerWaalsContact C-N 3.34Å; T315-A317 PolarHBondContact O-N 3.5Å; T315-G318 PolarHBondContact O-N 2.95Å
316	Q	96.8	Very high	97.7	Very high	111 Å²	111	34.7 Å²	34.7	52%	0.519	19%	0.188	S	C	.	.	H	α-helix	trans	-63.8	-37.4	177.3	-69.5	171.1	28.9	0	0	112.6	E312 L313 G318 R401 A404	E312-Q316 WeakPolarHBondContact O-CG 3.22Å; E312-Q316 PolarHBondContact O-N 3.15Å; L313-Q316 PolarHBondContact O-N 3.46Å; Q316-G318 PolarHBondContact O-N 3.16Å; Q316-R401 WeakPolarHBondContact O-CG 3.37Å; Q316-A404 HydrophobicContact CB-CB 3.7Å
317	A	97.2	Very high	97.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-72.8	-15.7	175.1	0	0	0	0	0	112.5	L313 L314 T315 L319 L391 R401 A404 L408	L313-A317 VanDerWaalsContact O-CB 3.24Å; L313-A317 WeakPolarHBondContact O-CB 3.4Å; L313-A317 PolarHBondContact O-N 2.91Å; L314-A317 PolarHBondContact O-N 3.06Å; T315-A317 VanDerWaalsContact C-N 3.34Å; T315-A317 PolarHBondContact O-N 3.5Å; A317-L319 VanDerWaalsContact C-N 3.28Å; A317-L319 HydrophobicContact CB-CB 4.43Å; A317-L319 HydrophobicContact CB-CD1 3.94Å; A317-L319 HydrophobicContact CB-CG 3.9Å; A317-L391 HydrophobicContact CB-CD2 3.91Å; A317-L391 WeakPolarHBondContact O-CD2 3.25Å; A317-R401 VanDerWaalsContact O-CZ 3.3Å; A317-R401 PolarHBondContact O-NE 3.23Å; A317-R401 PolarHBondContact O-NH2 3.3Å; A317-A404 HydrophobicContact CB-CB 3.96Å; A317-L408 HydrophobicContact CB-CD1 4.13Å
318	G	96.6	Very high	97.7	Very high	46 Å²	46	35.1 Å²	35.1	47%	0.474	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	38.3	-171.5	0	0	0	0	0	111.9	L314 T315 Q316 R401	L314-G318 PolarHBondContact O-N 3.44Å; T315-G318 PolarHBondContact O-N 2.95Å; Q316-G318 PolarHBondContact O-N 3.16Å; G318-R401 PolarHBondContact O-NH2 3.41Å
319	L	96.8	Very high	97.6	Very high	31 Å²	31	35.1 Å²	35.1	16%	0.162	19%	0.19	C	C	.	.			trans	-99.7	120.2	176.5	-71.7	175.3	0	0	0	109.4	L314 A317 L321 I388 L391 L408	L314-L319 HydrophobicContact CD2-CB 3.93Å; L314-L319 HydrophobicContact CD2-CD1 4.29Å; L314-L319 PolarHBondContact O-N 2.64Å; A317-L319 VanDerWaalsContact C-N 3.28Å; A317-L319 HydrophobicContact CB-CB 4.43Å; A317-L319 HydrophobicContact CB-CD1 3.94Å; A317-L319 HydrophobicContact CB-CG 3.9Å; L319-L321 HydrophobicContact CB-CD1 4.41Å; L319-L321 HydrophobicContact CB-CG 4.4Å; L319-L321 HydrophobicContact CD1-CD1 4.48Å; L319-L321 PolarHBondContact O-N 2.98Å; L319-I388 HydrophobicContact CD1-CG1 3.85Å; L319-L391 HydrophobicContact CD1-CD2 4.05Å; L319-L391 HydrophobicContact CD2-CD2 3.89Å; L319-L391 HydrophobicContact CG-CD2 3.82Å; L319-L408 HydrophobicContact CD1-CD1 4.06Å
320	D	96.1	Very high	97.5	Very high	157 Å²	157	36 Å²	36	84%	0.84	19%	0.194	S	C	*	.			trans	-87.4	93	172.4	-170.1	23	0	0	0	109.1
321	L	97.5	Very high	97.5	Very high	13 Å²	13	36.1 Å²	36.1	7%	0.068	20%	0.195	C	C	.	.			trans	-130.2	133.9	179	-68.1	177.8	0	0	0	109.1	L314 L319 I323 D365 A384 K387 I388	L314-L321 HydrophobicContact CD1-CB 4.18Å; L314-L321 HydrophobicContact CD2-CB 4.12Å; L314-L321 HydrophobicContact CD2-CD1 3.74Å; L314-L321 HydrophobicContact CD2-CG 4.3Å; L319-L321 HydrophobicContact CB-CD1 4.41Å; L319-L321 HydrophobicContact CB-CG 4.4Å; L319-L321 HydrophobicContact CD1-CD1 4.48Å; L319-L321 PolarHBondContact O-N 2.98Å; L321-I323 PolarHBondContact O-N 3.34Å; L321-D365 HydrophobicContact CB-CB 4.06Å; L321-D365 HydrophobicContact CD2-CB 4.07Å; L321-A384 HydrophobicContact CD1-CB 3.92Å; L321-A384 HydrophobicContact CD2-CB 4.14Å; L321-K387 HydrophobicContact CD2-CD 3.7Å; L321-I388 HydrophobicContact CD1-CD1 4.36Å; L321-I388 HydrophobicContact CD1-CG1 4.32Å
322	Q	96.8	Very high	97.5	Very high	95 Å²	95	33.2 Å²	33.2	44%	0.444	18%	0.183	S	C	.	.			trans	-77	118.4	-178.5	-171.9	175.6	56.6	0	0	111.2	I346 F364 D365 I366	Q322-I346 HydrophobicContact CG-CD1 3.73Å; Q322-F364 HydrophobicContact CG-CD1 4.07Å; Q322-D365 PolarHBondContact N-OD2 2.89Å; Q322-D365 WeakPolarHBondContact O-CB 3.2Å; Q322-D365 PolarHBondContact O-N 3.48Å; Q322-I366 PolarHBondContact O-N 2.82Å
323	I	97.9	Very high	97.6	Very high	16 Å²	16	30.9 Å²	30.9	8%	0.082	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	133.4	171.8	-168.3	169.3	0	0	0	110.9	L310 L321 V345 I366 V368	L310-I323 HydrophobicContact CB-CD1 4Å; L321-I323 PolarHBondContact O-N 3.34Å; I323-V345 HydrophobicContact CG2-CB 4.25Å; I323-V345 HydrophobicContact CG2-CG1 3.68Å; I323-I366 WeakPolarHBondContact CA-O 3.49Å; I323-I366 HydrophobicContact CG1-CB 4.34Å; I323-I366 HydrophobicContact CG1-CG2 4.34Å; I323-V368 HydrophobicContact CD1-CG2 4.25Å; I323-V368 HydrophobicContact CG1-CG2 4.44Å
324	A	98.4	Very high	97.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	147.1	169.7	0	0	0	0	0	111.3	I346 F364 I366 V368	A324-I346 CarbonylContact C-O 3.49Å; A324-I346 VanDerWaalsContact CA-O 3.28Å; A324-I346 WeakPolarHBondContact CA-O 3.34Å; A324-I346 HydrophobicContact CB-CB 3.97Å; A324-I346 HydrophobicContact CB-CG2 4.13Å; A324-F364 HydrophobicContact CB-CB 4.15Å; A324-F364 HydrophobicContact CB-CD1 3.49Å; A324-F364 VanDerWaalsContact CB-CD1 3.49Å; A324-F364 HydrophobicContact CB-CD2 3.41Å; A324-F364 VanDerWaalsContact CB-CD2 3.41Å; A324-F364 HydrophobicContact CB-CE1 3.61Å; A324-F364 HydrophobicContact CB-CE2 3.52Å; A324-F364 HydrophobicContact CB-CG 3.38Å; A324-F364 HydrophobicContact CB-CZ 3.61Å; A324-I366 PolarHBondContact N-O 2.93Å; A324-V368 PolarHBondContact O-N 3.05Å
325	V	98.8	Very high	97.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	120	171.7	-173.7	0	0	0	0	108.9	A303 Q327 L339 V345 I346 V347 R348 V368	A303-V325 HydrophobicContact CB-CG1 4.11Å; V325-Q327 HydrophobicContact CG1-CG 4.2Å; V325-L339 HydrophobicContact CB-CD1 3.97Å; V325-L339 HydrophobicContact CB-CD2 4.38Å; V325-L339 HydrophobicContact CG1-CD1 3.7Å; V325-L339 HydrophobicContact CG2-CD1 4.33Å; V325-L339 HydrophobicContact CG2-CD2 3.82Å; V325-V345 HydrophobicContact CG2-CG2 4.07Å; V325-I346 PolarHBondContact N-O 3.23Å; V325-V347 CarbonylContact O-C 3.56Å; V325-V347 VanDerWaalsContact O-CA 3.3Å; V325-V347 WeakPolarHBondContact O-CA 3.47Å; V325-R348 PolarHBondContact O-N 2.75Å; V325-V368 CarbonylContact C-O 3.51Å; V325-V368 VanDerWaalsContact CA-O 3.27Å; V325-V368 WeakPolarHBondContact CA-O 3.38Å; V325-V368 HydrophobicContact CG2-CB 4.34Å
326	V	98.7	Very high	97.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	120.6	179.5	-170.6	0	0	0	0	109.1	R348 T350 L357 A360 A361 V368 Y369	V326-R348 CarbonylContact C-O 3.6Å; V326-R348 WeakPolarHBondContact CA-O 3.29Å; V326-R348 HydrophobicContact CG1-CB 4.37Å; V326-R348 HydrophobicContact CG2-CB 4.34Å; V326-T350 HydrophobicContact CG1-CG2 3.63Å; V326-L357 HydrophobicContact CG1-CB 4.29Å; V326-L357 HydrophobicContact CG1-CG 4.34Å; V326-A360 HydrophobicContact CG1-CB 3.97Å; V326-A360 HydrophobicContact CG2-CB 4.3Å; V326-A361 HydrophobicContact CG2-CB 4.03Å; V326-V368 PolarHBondContact N-O 3.49Å; V326-Y369 WeakPolarHBondContact O-CA 3.21Å
327	Q	98.5	Very high	97.7	Very high	3 Å²	3	26.4 Å²	26.4	1%	0.014	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	172.2	-179.2	-64.9	-172.7	-64.3	0	0	110.5	D300 V325 A331 S335 T336 V347 R348 C349 T350	D300-Q327 PolarHBondContact OD1-NE2 3.45Å; V325-Q327 HydrophobicContact CG1-CG 4.2Å; Q327-A331 HydrophobicContact CB-CB 3.84Å; Q327-A331 HydrophobicContact CG-CB 4.12Å; Q327-S335 PolarHBondContact NE2-OG 3.32Å; Q327-T336 PolarHBondContact OE1-OG1 2.91Å; Q327-V347 HydrophobicContact CG-CG1 4.45Å; Q327-R348 PolarHBondContact N-O 2.86Å; Q327-C349 CarbonylContact O-C 3.57Å; Q327-C349 WeakPolarHBondContact O-CA 3.39Å; Q327-T350 PolarHBondContact O-N 2.88Å
328	T	97.8	Very high	97.8	Very high	5 Å²	5	28.2 Å²	28.2	3%	0.031	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	175.8	166.1	69.6	0	0	0	0	110	Y330 A331 L357 E371	T328-Y330 PolarHBondContact O-N 2.88Å; T328-Y330 VanDerWaalsContact O-N 3.09Å; T328-Y330 PolarHBondContact OG1-N 3.48Å; T328-A331 WeakPolarHBondContact O-CB 3.49Å; T328-A331 PolarHBondContact O-N 3Å; T328-L357 HydrophobicContact CG2-CD1 3.65Å; T328-L357 HydrophobicContact CG2-CD2 4.08Å; T328-L357 HydrophobicContact CG2-CG 4.12Å; T328-E371 HydrophobicContact CG2-CG 3.98Å
329	A	97.3	Very high	97.9	Very high	4 Å²	4	26 Å²	26	3%	0.033	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-21.3	173.5	0	0	0	0	0	114	A331 R472 R495 F497	A329-A331 PolarHBondContact O-N 3.42Å; A329-R472 HydrophobicContact CB-CG 3.64Å; A329-R495 PolarHBondContact O-NH1 2.96Å; A329-R495 PolarHBondContact O-NH2 3.39Å; A329-F497 HydrophobicContact CB-CD1 4.14Å; A329-F497 HydrophobicContact CB-CD2 4.1Å; A329-F497 HydrophobicContact CB-CE1 3.69Å; A329-F497 HydrophobicContact CB-CE2 3.66Å; A329-F497 HydrophobicContact CB-CG 4.33Å; A329-F497 HydrophobicContact CB-CZ 3.44Å; A329-F497 VanDerWaalsContact CB-CZ 3.44Å; A329-F497 WeakPolarHBondContact O-CE1 3.26Å
330	Y	96.9	Very high	97.9	Very high	23 Å²	23	29 Å²	29	9%	0.09	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-12.1	177.5	-72.7	-78.1	0	0	0	114.2	T328 T352 F497 R499 R508 Y510	T328-Y330 PolarHBondContact O-N 2.88Å; T328-Y330 VanDerWaalsContact O-N 3.09Å; T328-Y330 PolarHBondContact OG1-N 3.48Å; Y330-T352 WeakPolarHBondContact CE2-OG1 3.36Å; Y330-F497 AromaticContact CD1-CZ 3.81Å; Y330-F497 HydrophobicContact CD1-CZ 3.81Å; Y330-F497 HydrophobicContact CD2-CZ 4.04Å; Y330-F497 HydrophobicContact CE1-CE2 4.35Å; Y330-F497 AromaticContact CE1-CZ 3.8Å; Y330-F497 HydrophobicContact CE1-CZ 3.8Å; Y330-F497 HydrophobicContact CE2-CE2 4.18Å; Y330-F497 HydrophobicContact CE2-CZ 4.02Å; Y330-F497 AromaticContact CG-CZ 3.93Å; Y330-F497 HydrophobicContact CG-CZ 3.93Å; Y330-F497 AromaticContact CZ-CZ 3.9Å; Y330-R499 WeakPolarHBondContact OH-CD 3.36Å; Y330-R499 WeakPolarHBondContact OH-CG 3.38Å; Y330-R508 VanDerWaalsContact OH-CB 3.24Å; Y330-R508 WeakPolarHBondContact OH-CB 3.18Å; Y330-R508 WeakPolarHBondContact OH-CD 3.45Å; Y330-Y510 AromaticContact CD1-CD2 3.9Å; Y330-Y510 HydrophobicContact CD1-CD2 3.9Å; Y330-Y510 HydrophobicContact CD1-CG 4.3Å; Y330-Y510 HydrophobicContact CE1-CD2 4.46Å
331	A	97.9	Very high	98	Very high	3 Å²	3	25.5 Å²	25.5	3%	0.025	13%	0.131	C	C	.	.	S	Bend	trans	-61.9	139.3	179	0	0	0	0	0	111.1	D300 Q327 T328 A329 G333 R495	D300-A331 VanDerWaalsContact OD1-CB 3.27Å; D300-A331 WeakPolarHBondContact OD1-CB 3.49Å; D300-A331 WeakPolarHBondContact OD2-CA 3.36Å; Q327-A331 HydrophobicContact CB-CB 3.84Å; Q327-A331 HydrophobicContact CG-CB 4.12Å; T328-A331 WeakPolarHBondContact O-CB 3.49Å; T328-A331 PolarHBondContact O-N 3Å; A329-A331 PolarHBondContact O-N 3.42Å; A331-G333 PolarHBondContact O-N 2.81Å; A331-R495 PolarHBondContact O-NH2 3.45Å
332	N	98.3	Very high	98	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.016	16%	0.155	C	C	.	.			trans	-64.6	135.2	177.6	-167.5	-79.9	0	0	0	110.1	D300 S334 S335 T336 D449 L450 N452	D300-N332 PolarHBondContact OD2-N 3.38Å; N332-S334 PolarHBondContact O-N 3.17Å; N332-S334 VanDerWaalsContact O-N 3.12Å; N332-S334 VanDerWaalsContact OD1-CB 3.32Å; N332-S334 WeakPolarHBondContact OD1-CB 3.47Å; N332-S334 PolarHBondContact OD1-N 3.08Å; N332-S335 WeakPolarHBondContact O-CB 3.32Å; N332-S335 PolarHBondContact O-N 3.01Å; N332-S335 PolarHBondContact O-OG 2.78Å; N332-T336 PolarHBondContact O-N 2.79Å; N332-D449 WeakPolarHBondContact CB-OD1 3.41Å; N332-D449 PolarHBondContact OD1-OD1 2.89Å; N332-L450 PolarHBondContact ND2-N 3.48Å; N332-L450 PolarHBondContact ND2-O 3.38Å; N332-L450 PolarHBondContact OD1-N 3.28Å; N332-N452 PolarHBondContact ND2-ND2 2.88Å
333	G	97.9	Very high	97.9	Very high	19 Å²	19	25.8 Å²	25.8	20%	0.196	14%	0.139	C	C	.	.	H	α-helix	trans	-56.6	-31.3	-179	0	0	0	0	0	113.5	A331 S335 Q337 E512	A331-G333 PolarHBondContact O-N 2.81Å; G333-S335 VanDerWaalsContact C-N 3.34Å; G333-S335 PolarHBondContact O-N 3.09Å; G333-Q337 WeakPolarHBondContact O-CB 3.29Å; G333-Q337 PolarHBondContact O-N 3.15Å; G333-E512 PolarHBondContact N-OE1 3.39Å; G333-E512 PolarHBondContact N-OE2 3.31Å
334	S	98.4	Very high	97.9	Very high	10 Å²	10	31.7 Å²	31.7	7%	0.07	16%	0.164	C	C	.	.	H	α-helix	trans	-66.5	-33	174.7	-69.7	0	0	0	0	113.2	N332 Y338 T448 L450	N332-S334 PolarHBondContact O-N 3.17Å; N332-S334 VanDerWaalsContact O-N 3.12Å; N332-S334 VanDerWaalsContact OD1-CB 3.32Å; N332-S334 WeakPolarHBondContact OD1-CB 3.47Å; N332-S334 PolarHBondContact OD1-N 3.08Å; S334-Y338 WeakPolarHBondContact O-CB 3.29Å; S334-Y338 PolarHBondContact O-N 3.39Å; S334-T448 WeakPolarHBondContact CB-O 3.36Å; S334-T448 PolarHBondContact OG-O 3.29Å; S334-L450 PolarHBondContact OG-N 3.02Å
335	S	98.4	Very high	97.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-67.8	-47	177.7	74.5	0	0	0	0	110.9	Q327 N332 G333 Q337 Y338 L339 Y447	Q327-S335 PolarHBondContact NE2-OG 3.32Å; N332-S335 WeakPolarHBondContact O-CB 3.32Å; N332-S335 PolarHBondContact O-N 3.01Å; N332-S335 PolarHBondContact O-OG 2.78Å; G333-S335 VanDerWaalsContact C-N 3.34Å; G333-S335 PolarHBondContact O-N 3.09Å; S335-Q337 VanDerWaalsContact C-N 3.35Å; S335-Q337 PolarHBondContact O-N 3.08Å; S335-Y338 PolarHBondContact O-N 3.09Å; S335-L339 VanDerWaalsContact O-CG 3.28Å; S335-L339 WeakPolarHBondContact O-CG 3.43Å; S335-L339 PolarHBondContact O-N 3.32Å; S335-Y447 WeakPolarHBondContact CB-OH 3.33Å
336	T	98.4	Very high	97.7	Very high	38 Å²	38	34.9 Å²	34.9	23%	0.233	18%	0.18	C	C	.	.	H	α-helix	trans	-59.9	-46.8	175	-56.6	0	0	0	0	110.5	Q327 N332 Y338 L339 E340 V347	Q327-T336 PolarHBondContact OE1-OG1 2.91Å; N332-T336 PolarHBondContact O-N 2.79Å; T336-Y338 PolarHBondContact O-N 2.99Å; T336-L339 PolarHBondContact O-N 3.44Å; T336-E340 HydrophobicContact CG2-CG 4.45Å; T336-E340 WeakPolarHBondContact O-CG 3.34Å; T336-E340 PolarHBondContact O-N 3.15Å; T336-V347 HydrophobicContact CG2-CG1 4.15Å
337	Q	98.3	Very high	97.7	Very high	88 Å²	88	35.9 Å²	35.9	41%	0.411	19%	0.186	S	C	.	.	H	α-helix	trans	-60.2	-44.5	177.7	-170.3	174.1	15.5	0	0	111.8	G333 S335 L339 E340 D341	G333-Q337 WeakPolarHBondContact O-CB 3.29Å; G333-Q337 PolarHBondContact O-N 3.15Å; S335-Q337 VanDerWaalsContact C-N 3.35Å; S335-Q337 PolarHBondContact O-N 3.08Å; Q337-L339 VanDerWaalsContact C-N 3.33Å; Q337-L339 PolarHBondContact O-N 2.98Å; Q337-E340 PolarHBondContact O-N 2.97Å; Q337-D341 HydrophobicContact CG-CB 4.36Å; Q337-D341 WeakPolarHBondContact CG-OD2 3.35Å; Q337-D341 PolarHBondContact NE2-OD2 2.81Å; Q337-D341 VanDerWaalsContact NE2-OD2 3.13Å; Q337-D341 WeakPolarHBondContact O-CA 3.4Å; Q337-D341 WeakPolarHBondContact O-CB 3.38Å; Q337-D341 PolarHBondContact O-N 3.24Å
338	Y	98.5	Very high	97.7	Very high	39 Å²	39	41.8 Å²	41.8	15%	0.153	21%	0.209	C	C	.	.	I	π-helix	trans	-60.3	-43.9	176.9	176.5	-96.1	0	0	0	111.8	T304 S334 S335 T336 T342 M343 I446 Y447	T304-Y338 HydrophobicContact CG2-CD1 4.11Å; S334-Y338 WeakPolarHBondContact O-CB 3.29Å; S334-Y338 PolarHBondContact O-N 3.39Å; S335-Y338 PolarHBondContact O-N 3.09Å; T336-Y338 PolarHBondContact O-N 2.99Å; Y338-T342 HydrophobicContact CD2-CG2 4.11Å; Y338-T342 HydrophobicContact CE2-CG2 3.67Å; Y338-T342 WeakPolarHBondContact O-CA 3.23Å; Y338-T342 VanDerWaalsContact O-CB 3.25Å; Y338-T342 WeakPolarHBondContact O-CB 3.27Å; Y338-T342 PolarHBondContact O-N 3.43Å; Y338-M343 HydrophobicContact CD1-CG 3.99Å; Y338-M343 HydrophobicContact CE1-CG 3.36Å; Y338-M343 HydrophobicContact CE1-SD 4.34Å; Y338-M343 PolarHBondContact O-N 3.36Å; Y338-I446 HydrophobicContact CD1-CG2 4.24Å; Y338-I446 HydrophobicContact CD2-CG2 4.37Å; Y338-I446 HydrophobicContact CE1-CG2 3.56Å; Y338-I446 HydrophobicContact CE2-CG2 3.72Å; Y338-I446 WeakPolarHBondContact CE2-O 3.4Å; Y338-I446 WeakPolarHBondContact OH-CG2 3.46Å; Y338-Y447 HydrophobicContact CD1-CD1 4.22Å; Y338-Y447 HydrophobicContact CG-CD1 4.1Å; Y338-Y447 HydrophobicContact CG-CG 4.37Å
339	L	98.3	Very high	97.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.222	C	C	.	.	I	π-helix	trans	-63	-45.6	179.4	-71.7	167.2	0	0	0	112.3	T304 V325 S335 T336 Q337 M343 K344 V345 V347	T304-L339 HydrophobicContact CG2-CD1 4.11Å; T304-L339 HydrophobicContact CG2-CD2 3.8Å; T304-L339 HydrophobicContact CG2-CG 3.83Å; V325-L339 HydrophobicContact CB-CD1 3.97Å; V325-L339 HydrophobicContact CB-CD2 4.38Å; V325-L339 HydrophobicContact CG1-CD1 3.7Å; V325-L339 HydrophobicContact CG2-CD1 4.33Å; V325-L339 HydrophobicContact CG2-CD2 3.82Å; S335-L339 VanDerWaalsContact O-CG 3.28Å; S335-L339 WeakPolarHBondContact O-CG 3.43Å; S335-L339 PolarHBondContact O-N 3.32Å; T336-L339 PolarHBondContact O-N 3.44Å; Q337-L339 VanDerWaalsContact C-N 3.33Å; Q337-L339 PolarHBondContact O-N 2.98Å; L339-M343 CarbonylContact O-C 3.54Å; L339-M343 WeakPolarHBondContact O-CB 3.38Å; L339-K344 PolarHBondContact O-N 2.95Å; L339-V345 HydrophobicContact CB-CG2 3.97Å; L339-V345 HydrophobicContact CD2-CG2 3.81Å; L339-V345 WeakPolarHBondContact O-CG2 3.34Å; L339-V345 PolarHBondContact O-N 2.92Å; L339-V345 VanDerWaalsContact O-N 3.08Å; L339-V347 HydrophobicContact CB-CG2 3.44Å; L339-V347 VanDerWaalsContact CB-CG2 3.44Å; L339-V347 HydrophobicContact CD1-CG2 4.14Å; L339-V347 HydrophobicContact CG-CG2 4.41Å
340	E	97.7	Very high	97.7	Very high	94 Å²	94	44.5 Å²	44.5	44%	0.439	23%	0.226	S	C	.	.	I	π-helix	trans	-78	-48.1	-178	-66.5	-178.7	148.9	0	0	112.6	T336 Q337 K344 V347	T336-E340 HydrophobicContact CG2-CG 4.45Å; T336-E340 WeakPolarHBondContact O-CG 3.34Å; T336-E340 PolarHBondContact O-N 3.15Å; Q337-E340 PolarHBondContact O-N 2.97Å; E340-K344 WeakPolarHBondContact O-CA 3.38Å; E340-K344 WeakPolarHBondContact O-CD 3.25Å; E340-V347 HydrophobicContact CG-CB 3.96Å; E340-V347 HydrophobicContact CG-CG2 3.59Å
341	D	97.6	Very high	97.5	Very high	83 Å²	83	48.1 Å²	48.1	44%	0.444	24%	0.243	S	C	.	.	I	π-helix	trans	-87.1	-38	-169.7	-69.7	-20.6	0	0	0	112.9	Q337 K344	Q337-D341 HydrophobicContact CG-CB 4.36Å; Q337-D341 WeakPolarHBondContact CG-OD2 3.35Å; Q337-D341 PolarHBondContact NE2-OD2 2.81Å; Q337-D341 VanDerWaalsContact NE2-OD2 3.13Å; Q337-D341 WeakPolarHBondContact O-CA 3.4Å; Q337-D341 WeakPolarHBondContact O-CB 3.38Å; Q337-D341 PolarHBondContact O-N 3.24Å; D341-K344 WeakPolarHBondContact O-CD 3.42Å; D341-K344 WeakPolarHBondContact O-CE 3.46Å; D341-K344 PolarHBondContact O-NZ 2.97Å
342	T	96.8	Very high	97.2	Very high	93 Å²	93	49.3 Å²	49.3	57%	0.571	25%	0.249	S	C	*	.	I	π-helix	trans	-96.2	-56.1	-177.5	-55.2	0	0	0	0	110.7	Y338 K344	Y338-T342 HydrophobicContact CD2-CG2 4.11Å; Y338-T342 HydrophobicContact CE2-CG2 3.67Å; Y338-T342 WeakPolarHBondContact O-CA 3.23Å; Y338-T342 VanDerWaalsContact O-CB 3.25Å; Y338-T342 WeakPolarHBondContact O-CB 3.27Å; Y338-T342 PolarHBondContact O-N 3.43Å; T342-K344 VanDerWaalsContact C-N 3.3Å; T342-K344 PolarHBondContact O-N 3.27Å
343	M	95.9	Very high	96.7	Very high	21 Å²	21	49.6 Å²	49.6	10%	0.103	25%	0.253	C	S	.	.	S	Bend	trans	-75.4	-19.5	-176.3	-79.9	-65	-64.7	0	0	112.8	T308 K311 Y338 L339 V345	T308-M343 VanDerWaalsContact CA-CE 3.47Å; T308-M343 HydrophobicContact CG2-CE 4.13Å; T308-M343 HydrophobicContact CG2-SD 4Å; K311-M343 HydrophobicContact CB-CE 4.07Å; K311-M343 HydrophobicContact CD-CE 3.67Å; K311-M343 HydrophobicContact CG-CE 4.42Å; K311-M343 PolarHBondContact NZ-O 2.92Å; Y338-M343 HydrophobicContact CD1-CG 3.99Å; Y338-M343 HydrophobicContact CE1-CG 3.36Å; Y338-M343 HydrophobicContact CE1-SD 4.34Å; Y338-M343 PolarHBondContact O-N 3.36Å; L339-M343 CarbonylContact O-C 3.54Å; L339-M343 WeakPolarHBondContact O-CB 3.38Å; M343-V345 HydrophobicContact CB-CG1 4.28Å; M343-V345 HydrophobicContact CB-CG2 4.2Å; M343-V345 HydrophobicContact CE-CG1 4.38Å; M343-V345 PolarHBondContact O-N 2.82Å
344	K	96.3	Very high	96.3	Very high	140 Å²	140	49.9 Å²	49.9	61%	0.609	25%	0.251	S	S	*	.			trans	50.4	45.1	-177.4	-53.7	-48.1	-162.1	-169.5	0	111.8	L339 E340 D341 T342	L339-K344 PolarHBondContact O-N 2.95Å; E340-K344 WeakPolarHBondContact O-CA 3.38Å; E340-K344 WeakPolarHBondContact O-CD 3.25Å; D341-K344 WeakPolarHBondContact O-CD 3.42Å; D341-K344 WeakPolarHBondContact O-CE 3.46Å; D341-K344 PolarHBondContact O-NZ 2.97Å; T342-K344 VanDerWaalsContact C-N 3.3Å; T342-K344 PolarHBondContact O-N 3.27Å
345	V	96.1	Very high	95.7	Very high	13 Å²	13	51.6 Å²	51.6	8%	0.079	26%	0.257	C	S	.	.			trans	-106	160.2	173	-62.3	0	0	0	0	110.1	K311 I323 V325 L339 M343 V347	K311-V345 HydrophobicContact CD-CG1 3.89Å; I323-V345 HydrophobicContact CG2-CB 4.25Å; I323-V345 HydrophobicContact CG2-CG1 3.68Å; V325-V345 HydrophobicContact CG2-CG2 4.07Å; L339-V345 HydrophobicContact CB-CG2 3.97Å; L339-V345 HydrophobicContact CD2-CG2 3.81Å; L339-V345 WeakPolarHBondContact O-CG2 3.34Å; L339-V345 PolarHBondContact O-N 2.92Å; L339-V345 VanDerWaalsContact O-N 3.08Å; M343-V345 HydrophobicContact CB-CG1 4.28Å; M343-V345 HydrophobicContact CB-CG2 4.2Å; M343-V345 HydrophobicContact CE-CG1 4.38Å; M343-V345 PolarHBondContact O-N 2.82Å; V345-V347 PolarHBondContact O-N 3.17Å
346	I	97.9	Very high	95.5	Very high	53 Å²	53	55.7 Å²	55.7	27%	0.272	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	129	177.1	-62	171	0	0	0	108.2	Q322 A324 V325 R348 F364	Q322-I346 HydrophobicContact CG-CD1 3.73Å; A324-I346 CarbonylContact C-O 3.49Å; A324-I346 VanDerWaalsContact CA-O 3.28Å; A324-I346 WeakPolarHBondContact CA-O 3.34Å; A324-I346 HydrophobicContact CB-CB 3.97Å; A324-I346 HydrophobicContact CB-CG2 4.13Å; V325-I346 PolarHBondContact N-O 3.23Å; I346-R348 HydrophobicContact CG2-CG 4.33Å; I346-F364 HydrophobicContact CD1-CD1 4.49Å; I346-F364 HydrophobicContact CD1-CE1 4.02Å; I346-F364 HydrophobicContact CG2-CE1 3.99Å; I346-F364 HydrophobicContact CG2-CZ 4.06Å
347	V	98.3	Very high	95.3	Very high	21 Å²	21	53.9 Å²	53.9	13%	0.127	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	133.7	171.6	-174	0	0	0	0	110.1	V325 Q327 T336 L339 E340 V345	V325-V347 CarbonylContact O-C 3.56Å; V325-V347 VanDerWaalsContact O-CA 3.3Å; V325-V347 WeakPolarHBondContact O-CA 3.47Å; Q327-V347 HydrophobicContact CG-CG1 4.45Å; T336-V347 HydrophobicContact CG2-CG1 4.15Å; L339-V347 HydrophobicContact CB-CG2 3.44Å; L339-V347 VanDerWaalsContact CB-CG2 3.44Å; L339-V347 HydrophobicContact CD1-CG2 4.14Å; L339-V347 HydrophobicContact CG-CG2 4.41Å; E340-V347 HydrophobicContact CG-CB 3.96Å; E340-V347 HydrophobicContact CG-CG2 3.59Å; V345-V347 PolarHBondContact O-N 3.17Å
348	R	98.1	Very high	95.1	Very high	127 Å²	127	51 Å²	51	48%	0.479	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	127.4	176.2	-68.8	-61.3	-166.1	-157.6	0.2	109.8	V325 V326 Q327 I346 F364	V325-R348 PolarHBondContact O-N 2.75Å; V326-R348 CarbonylContact C-O 3.6Å; V326-R348 WeakPolarHBondContact CA-O 3.29Å; V326-R348 HydrophobicContact CG1-CB 4.37Å; V326-R348 HydrophobicContact CG2-CB 4.34Å; Q327-R348 PolarHBondContact N-O 2.86Å; I346-R348 HydrophobicContact CG2-CG 4.33Å; R348-F364 HydrophobicContact CG-CE2 4.02Å; R348-F364 HydrophobicContact CG-CZ 3.82Å
349	C	97.9	Very high	94.9	Very high	45 Å²	45	54.7 Å²	54.7	30%	0.304	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	128.6	172.3	-171.8	0	0	0	0	109.8	Q327 A470	Q327-C349 CarbonylContact O-C 3.57Å; Q327-C349 WeakPolarHBondContact O-CA 3.39Å; C349-A470 HydrophobicContact CB-CB 4.47Å
350	T	97.1	Very high	94.8	Very high	21 Å²	21	55.2 Å²	55.2	13%	0.129	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	172.3	177.9	70.2	0	0	0	0	111.5	V326 Q327 A360	V326-T350 HydrophobicContact CG1-CG2 3.63Å; Q327-T350 PolarHBondContact O-N 2.88Å; T350-A360 HydrophobicContact CG2-CB 3.59Å
351	K	94	Very high	94.8	Very high	100 Å²	100	50.7 Å²	50.7	44%	0.435	25%	0.253	S	S	.	.			trans	-62.7	151.4	172.4	-58	-170	177	-176.6	0	110.2	H356 E471	K351-H356 HydrophobicContact CB-CB 4.41Å; K351-H356 WeakPolarHBondContact O-CB 3.21Å; K351-E471 HydrophobicContact CB-CG 4.06Å; K351-E471 HydrophobicContact CD-CG 4.3Å; K351-E471 HydrophobicContact CG-CG 3.95Å
352	T	91	Very high	94.7	Very high	27 Å²	27	52.4 Å²	52.4	17%	0.166	26%	0.258	C	S	.	.	S	Bend	trans	-58.9	140.7	173.9	-63.5	0	0	0	0	111.3	Y330 E371 E471	Y330-T352 WeakPolarHBondContact CE2-OG1 3.36Å; T352-E371 VanDerWaalsContact CG2-OE1 3.31Å; T352-E371 WeakPolarHBondContact CG2-OE1 3.24Å; T352-E471 WeakPolarHBondContact CB-OE2 3.18Å; T352-E471 PolarHBondContact N-OE2 2.86Å; T352-E471 PolarHBondContact OG1-OE2 3.49Å
353	G	88.4	Confident	94.7	Very high	9 Å²	9	53.9 Å²	53.9	9%	0.093	26%	0.259	C	S	.	.	S	Bend	trans	113.2	124.8	179.8	0	0	0	0	0	112.2	K355 H356 L357 E371	G353-K355 PolarHBondContact O-N 3.31Å; G353-H356 PolarHBondContact O-N 2.83Å; G353-L357 WeakPolarHBondContact O-CD1 3.47Å; G353-E371 PolarHBondContact N-OE1 3.44Å
354	V	88.3	Confident	94.8	Very high	26 Å²	26	53.6 Å²	53.6	16%	0.158	26%	0.257	C	S	.	.	H	α-helix	trans	-45.7	-34.5	-175.4	179.5	0	0	0	0	113.9	H356 L357 H358 Y369 H375	V354-H356 VanDerWaalsContact C-N 3.32Å; V354-H356 PolarHBondContact O-N 3.44Å; V354-L357 PolarHBondContact O-N 2.73Å; V354-H358 WeakPolarHBondContact O-CB 3.27Å; V354-H358 PolarHBondContact O-N 3.15Å; V354-Y369 HydrophobicContact CG1-CE2 3.95Å; V354-H375 HydrophobicContact CG2-CB 4.46Å; V354-H375 WeakPolarHBondContact CG2-CD2 3.1Å; V354-H375 VanDerWaalsContact CG2-NE2 3.29Å; V354-H375 WeakPolarHBondContact CG2-NE2 3.38Å
355	K	87.5	Confident	95	Very high	45 Å²	45	48.8 Å²	48.8	20%	0.196	24%	0.238	C	C	.	.	H	α-helix	trans	-56.9	-43	176.9	-66.7	176.4	177	175.1	0	112.9	T26 M83 E89 G353 H359	T26-K355 WeakPolarHBondContact O-CE 3.44Å; T26-K355 PolarHBondContact O-NZ 2.82Å; M83-K355 HydrophobicContact CB-CD 4.31Å; M83-K355 HydrophobicContact CB-CG 4Å; M83-K355 HydrophobicContact CG-CG 4.31Å; E89-K355 IonicContact OE1-NZ 3.24Å; E89-K355 PolarHBondContact OE1-NZ 2.87Å; G353-K355 PolarHBondContact O-N 3.31Å; K355-H359 WeakPolarHBondContact O-CB 3.45Å; K355-H359 PolarHBondContact O-N 3.4Å; K355-H359 VanDerWaalsContact O-N 3.14Å
356	H	92.4	Very high	95.1	Very high	87 Å²	87	48.2 Å²	48.2	40%	0.403	23%	0.234	S	C	.	.	H	α-helix	trans	-73.4	-41.8	-180	-62.9	-58.2	0	0	0	111.5	K351 G353 V354 A360	K351-H356 HydrophobicContact CB-CB 4.41Å; K351-H356 WeakPolarHBondContact O-CB 3.21Å; G353-H356 PolarHBondContact O-N 2.83Å; V354-H356 VanDerWaalsContact C-N 3.32Å; V354-H356 PolarHBondContact O-N 3.44Å; H356-A360 PolarHBondContact O-N 2.86Å; H356-A360 VanDerWaalsContact O-N 3.15Å
357	L	95.3	Very high	95.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.5	-48.1	177	-71.5	86.3	0	0	0	111.1	V326 T328 G353 V354 A360 A361 Y369 E371	V326-L357 HydrophobicContact CG1-CB 4.29Å; V326-L357 HydrophobicContact CG1-CG 4.34Å; T328-L357 HydrophobicContact CG2-CD1 3.65Å; T328-L357 HydrophobicContact CG2-CD2 4.08Å; T328-L357 HydrophobicContact CG2-CG 4.12Å; G353-L357 WeakPolarHBondContact O-CD1 3.47Å; V354-L357 PolarHBondContact O-N 2.73Å; L357-A360 PolarHBondContact O-N 3.07Å; L357-A361 WeakPolarHBondContact O-CB 3.38Å; L357-A361 PolarHBondContact O-N 3.35Å; L357-Y369 HydrophobicContact CB-CD2 3.62Å; L357-Y369 HydrophobicContact CB-CE2 4.33Å; L357-Y369 HydrophobicContact CB-CG 3.93Å; L357-Y369 HydrophobicContact CD2-CD2 3.99Å; L357-Y369 HydrophobicContact CG-CD2 4.47Å; L357-E371 HydrophobicContact CD1-CG 4.02Å; L357-E371 HydrophobicContact CD2-CG 3.72Å
358	H	94.2	Very high	95.1	Very high	26 Å²	26	44.7 Å²	44.7	12%	0.12	22%	0.215	C	C	.	.	H	α-helix	trans	-60.5	-47.7	-179.7	-171.8	100.3	0	0	0	111.3	V354 A360 A361 Q362 Y369 L379	V354-H358 WeakPolarHBondContact O-CB 3.27Å; V354-H358 PolarHBondContact O-N 3.15Å; H358-A360 PolarHBondContact O-N 3.15Å; H358-A361 PolarHBondContact O-N 3Å; H358-Q362 PolarHBondContact NE2-NE2 3.5Å; H358-Q362 VanDerWaalsContact NE2-NE2 3.18Å; H358-Q362 WeakPolarHBondContact O-CG 3.32Å; H358-Q362 PolarHBondContact O-N 3.37Å; H358-Q362 VanDerWaalsContact O-N 3.09Å; H358-Y369 HydrophobicContact CB-CE1 4.17Å; H358-Y369 AromaticContact ND1-CE1 3.79Å; H358-Y369 AromaticContact ND1-CZ 3.79Å; H358-Y369 PolarHBondContact ND1-OH 2.86Å; H358-Y369 VanDerWaalsContact ND1-OH 3.1Å; H358-L379 VanDerWaalsContact CE1-CD1 3.5Å; H358-L379 WeakPolarHBondContact CE1-CD1 3.27Å
359	H	93.3	Very high	95.2	Very high	117 Å²	117	38.7 Å²	38.7	54%	0.542	19%	0.193	S	C	.	.	H	α-helix	trans	-59	-45.1	177.2	-179.7	-74.7	0	0	0	112.1	K355 A361 Q362 E363	K355-H359 WeakPolarHBondContact O-CB 3.45Å; K355-H359 PolarHBondContact O-N 3.4Å; K355-H359 VanDerWaalsContact O-N 3.14Å; H359-A361 VanDerWaalsContact C-N 3.33Å; H359-A361 PolarHBondContact O-N 3.28Å; H359-Q362 PolarHBondContact O-N 2.82Å; H359-E363 IonicContact ND1-OE1 3.59Å
360	A	96.6	Very high	95.2	Very high	11 Å²	11	36.6 Å²	36.6	9%	0.091	18%	0.179	C	C	.	.	H	α-helix	trans	-67.8	-34	177.9	0	0	0	0	0	112.4	V326 T350 H356 L357 H358 Q362 E363 F364	V326-A360 HydrophobicContact CG1-CB 3.97Å; V326-A360 HydrophobicContact CG2-CB 4.3Å; T350-A360 HydrophobicContact CG2-CB 3.59Å; H356-A360 PolarHBondContact O-N 2.86Å; H356-A360 VanDerWaalsContact O-N 3.15Å; L357-A360 PolarHBondContact O-N 3.07Å; H358-A360 PolarHBondContact O-N 3.15Å; A360-Q362 VanDerWaalsContact C-N 3.3Å; A360-Q362 PolarHBondContact O-N 3.01Å; A360-E363 WeakPolarHBondContact O-CB 3.45Å; A360-E363 PolarHBondContact O-N 3.15Å; A360-F364 WeakPolarHBondContact O-CD2 3.45Å; A360-F364 VanDerWaalsContact O-CE2 3.32Å; A360-F364 WeakPolarHBondContact O-CE2 3.31Å
361	A	97.3	Very high	95.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-66.9	-30.2	177.5	0	0	0	0	0	112.6	V326 L357 H358 H359 E363 F364 Y369 L379	V326-A361 HydrophobicContact CG2-CB 4.03Å; L357-A361 WeakPolarHBondContact O-CB 3.38Å; L357-A361 PolarHBondContact O-N 3.35Å; H358-A361 PolarHBondContact O-N 3Å; H359-A361 VanDerWaalsContact C-N 3.33Å; H359-A361 PolarHBondContact O-N 3.28Å; A361-E363 PolarHBondContact O-N 3.32Å; A361-F364 PolarHBondContact O-N 3.3Å; A361-Y369 HydrophobicContact CB-CD1 3.62Å; A361-Y369 HydrophobicContact CB-CE1 4.36Å; A361-Y369 HydrophobicContact CB-CG 4.38Å; A361-L379 HydrophobicContact CB-CD1 3.89Å; A361-L379 HydrophobicContact CB-CG 4.4Å
362	Q	96.3	Very high	95.4	Very high	118 Å²	118	31.5 Å²	31.5	55%	0.551	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-15.2	177.1	-72.4	176.3	-38.2	0	0	114.2	H358 H359 A360 F364 L379	H358-Q362 PolarHBondContact NE2-NE2 3.5Å; H358-Q362 VanDerWaalsContact NE2-NE2 3.18Å; H358-Q362 WeakPolarHBondContact O-CG 3.32Å; H358-Q362 PolarHBondContact O-N 3.37Å; H358-Q362 VanDerWaalsContact O-N 3.09Å; H359-Q362 PolarHBondContact O-N 2.82Å; A360-Q362 VanDerWaalsContact C-N 3.3Å; A360-Q362 PolarHBondContact O-N 3.01Å; Q362-F364 PolarHBondContact O-N 2.88Å; Q362-L379 HydrophobicContact CG-CD1 3.65Å
363	E	97.5	Very high	95.6	Very high	125 Å²	125	31.9 Å²	31.9	58%	0.584	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-8	179.4	-63.7	177.4	-164.4	0	0	113.4	H359 A360 A361	H359-E363 IonicContact ND1-OE1 3.59Å; A360-E363 WeakPolarHBondContact O-CB 3.45Å; A360-E363 PolarHBondContact O-N 3.15Å; A361-E363 PolarHBondContact O-N 3.32Å
364	F	98.2	Very high	96.1	Very high	15 Å²	15	31.4 Å²	31.4	7%	0.066	15%	0.152	C	C	.	.	S	Bend	trans	-117.9	161.9	-173.1	-58	-81.3	0	0	0	112	Q322 A324 I346 R348 A360 A361 Q362 I366	Q322-F364 HydrophobicContact CG-CD1 4.07Å; A324-F364 HydrophobicContact CB-CB 4.15Å; A324-F364 HydrophobicContact CB-CD1 3.49Å; A324-F364 VanDerWaalsContact CB-CD1 3.49Å; A324-F364 HydrophobicContact CB-CD2 3.41Å; A324-F364 VanDerWaalsContact CB-CD2 3.41Å; A324-F364 HydrophobicContact CB-CE1 3.61Å; A324-F364 HydrophobicContact CB-CE2 3.52Å; A324-F364 HydrophobicContact CB-CG 3.38Å; A324-F364 HydrophobicContact CB-CZ 3.61Å; I346-F364 HydrophobicContact CD1-CD1 4.49Å; I346-F364 HydrophobicContact CD1-CE1 4.02Å; I346-F364 HydrophobicContact CG2-CE1 3.99Å; I346-F364 HydrophobicContact CG2-CZ 4.06Å; R348-F364 HydrophobicContact CG-CE2 4.02Å; R348-F364 HydrophobicContact CG-CZ 3.82Å; A360-F364 WeakPolarHBondContact O-CD2 3.45Å; A360-F364 VanDerWaalsContact O-CE2 3.32Å; A360-F364 WeakPolarHBondContact O-CE2 3.31Å; A361-F364 PolarHBondContact O-N 3.3Å; Q362-F364 PolarHBondContact O-N 2.88Å; F364-I366 VanDerWaalsContact C-N 3.28Å; F364-I366 PolarHBondContact O-N 3.38Å
365	D	98.5	Very high	96.5	Very high	39 Å²	39	30.7 Å²	30.7	21%	0.209	15%	0.147	C	C	.	.	S	Bend	trans	-62.5	-40.5	172.2	-73.3	-45.7	0	0	0	111.4	L321 Q322 F380 S381 A384	L321-D365 HydrophobicContact CB-CB 4.06Å; L321-D365 HydrophobicContact CD2-CB 4.07Å; Q322-D365 PolarHBondContact N-OD2 2.89Å; Q322-D365 WeakPolarHBondContact O-CB 3.2Å; Q322-D365 PolarHBondContact O-N 3.48Å; D365-F380 WeakPolarHBondContact O-CA 3.48Å; D365-S381 PolarHBondContact O-N 2.87Å; D365-S381 PolarHBondContact OD1-OG 3.49Å; D365-A384 HydrophobicContact CB-CB 4.15Å; D365-A384 WeakPolarHBondContact O-CB 3.38Å
366	I	98.8	Very high	97.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	110.7	174	-52.3	-176.9	0	0	0	108.7	L310 L314 Q322 I323 A324 F364 V378 L379 F380	L310-I366 HydrophobicContact CD1-CG2 4.07Å; L314-I366 HydrophobicContact CD1-CD1 3.82Å; L314-I366 HydrophobicContact CD2-CD1 4.15Å; L314-I366 HydrophobicContact CG-CD1 4.34Å; Q322-I366 PolarHBondContact O-N 2.82Å; I323-I366 WeakPolarHBondContact CA-O 3.49Å; I323-I366 HydrophobicContact CG1-CB 4.34Å; I323-I366 HydrophobicContact CG1-CG2 4.34Å; A324-I366 PolarHBondContact N-O 2.93Å; F364-I366 VanDerWaalsContact C-N 3.28Å; F364-I366 PolarHBondContact O-N 3.38Å; I366-V378 HydrophobicContact CG2-CG1 3.57Å; I366-L379 WeakPolarHBondContact CA-O 3.23Å; I366-F380 HydrophobicContact CD1-CD1 4Å; I366-F380 HydrophobicContact CD1-CE1 3.82Å; I366-F380 HydrophobicContact CG1-CD1 3.83Å; I366-F380 HydrophobicContact CG1-CE1 4.07Å; I366-F380 HydrophobicContact CG2-CD1 4.22Å; I366-F380 HydrophobicContact CG2-CE1 3.92Å; I366-F380 HydrophobicContact CG2-CZ 4.32Å
367	G	98.7	Very high	97.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	106	177	0	0	0	0	0	111	V378 L379	G367-V378 CarbonylContact O-C 3.53Å; G367-V378 WeakPolarHBondContact O-CA 3.26Å; G367-L379 PolarHBondContact N-O 3.23Å; G367-L379 PolarHBondContact O-N 3.32Å
368	V	98.8	Very high	97.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	124.7	172.3	-179.8	0	0	0	0	107.8	A303 L310 I323 A324 V325 V326 F370 V378	A303-V368 HydrophobicContact CB-CG1 4.13Å; L310-V368 HydrophobicContact CD1-CG2 4.02Å; I323-V368 HydrophobicContact CD1-CG2 4.25Å; I323-V368 HydrophobicContact CG1-CG2 4.44Å; A324-V368 PolarHBondContact O-N 3.05Å; V325-V368 CarbonylContact C-O 3.51Å; V325-V368 VanDerWaalsContact CA-O 3.27Å; V325-V368 WeakPolarHBondContact CA-O 3.38Å; V325-V368 HydrophobicContact CG2-CB 4.34Å; V326-V368 PolarHBondContact N-O 3.49Å; V368-F370 HydrophobicContact CG1-CD2 4.13Å; V368-F370 HydrophobicContact CG1-CE2 4.2Å; V368-V378 HydrophobicContact CB-CG2 4.41Å; V368-V378 HydrophobicContact CG1-CG2 4.24Å; V368-V378 HydrophobicContact CG2-CB 4.48Å; V368-V378 HydrophobicContact CG2-CG1 3.8Å; V368-V378 HydrophobicContact CG2-CG2 3.99Å
369	Y	98.6	Very high	97.7	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	130.3	176.4	74.2	-96.8	0	0	0	111.6	V326 V354 L357 H358 A361 G376 T377 L379	V326-Y369 WeakPolarHBondContact O-CA 3.21Å; V354-Y369 HydrophobicContact CG1-CE2 3.95Å; L357-Y369 HydrophobicContact CB-CD2 3.62Å; L357-Y369 HydrophobicContact CB-CE2 4.33Å; L357-Y369 HydrophobicContact CB-CG 3.93Å; L357-Y369 HydrophobicContact CD2-CD2 3.99Å; L357-Y369 HydrophobicContact CG-CD2 4.47Å; H358-Y369 HydrophobicContact CB-CE1 4.17Å; H358-Y369 AromaticContact ND1-CE1 3.79Å; H358-Y369 AromaticContact ND1-CZ 3.79Å; H358-Y369 PolarHBondContact ND1-OH 2.86Å; H358-Y369 VanDerWaalsContact ND1-OH 3.1Å; A361-Y369 HydrophobicContact CB-CD1 3.62Å; A361-Y369 HydrophobicContact CB-CE1 4.36Å; A361-Y369 HydrophobicContact CB-CG 4.38Å; Y369-G376 CarbonylContact O-C 3.6Å; Y369-G376 WeakPolarHBondContact O-CA 3.39Å; Y369-T377 HydrophobicContact CE1-CG2 3.58Å; Y369-T377 HydrophobicContact CE2-CG2 4.27Å; Y369-T377 VanDerWaalsContact CZ-CG2 3.45Å; Y369-T377 PolarHBondContact N-O 2.91Å; Y369-T377 PolarHBondContact O-N 2.81Å; Y369-T377 VanDerWaalsContact O-O 3.1Å; Y369-T377 VanDerWaalsContact OH-CG2 3.26Å; Y369-T377 WeakPolarHBondContact OH-CG2 3.38Å; Y369-L379 HydrophobicContact CD1-CG 4.4Å; Y369-L379 HydrophobicContact CE1-CD1 4.05Å; Y369-L379 HydrophobicContact CE1-CD2 4.22Å; Y369-L379 HydrophobicContact CE1-CG 3.91Å
370	F	98.6	Very high	98	Very high	1 Å²	1	19 Å²	19	0%	0.004	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	140.9	171.4	-74.3	-100.1	0	0	0	109.1	G299 I302 A303 I306 V368 H375 G376	G299-F370 VanDerWaalsContact O-CB 3.25Å; G299-F370 WeakPolarHBondContact O-CB 3.46Å; I302-F370 HydrophobicContact CB-CD1 4.31Å; I302-F370 HydrophobicContact CB-CE1 4.35Å; I302-F370 HydrophobicContact CG2-CD1 3.97Å; I302-F370 HydrophobicContact CG2-CD2 4.47Å; I302-F370 HydrophobicContact CG2-CE1 3.54Å; I302-F370 HydrophobicContact CG2-CE2 4.09Å; I302-F370 HydrophobicContact CG2-CG 4.45Å; I302-F370 HydrophobicContact CG2-CZ 3.61Å; A303-F370 HydrophobicContact CB-CB 4.08Å; A303-F370 HydrophobicContact CB-CD2 3.82Å; A303-F370 HydrophobicContact CB-CG 4.24Å; I306-F370 HydrophobicContact CD1-CE2 3.96Å; I306-F370 HydrophobicContact CD1-CZ 3.89Å; V368-F370 HydrophobicContact CG1-CD2 4.13Å; V368-F370 HydrophobicContact CG1-CE2 4.2Å; F370-H375 CarbonylContact C-O 3.59Å; F370-H375 WeakPolarHBondContact CA-O 3.32Å; F370-G376 VanDerWaalsContact CD1-CA 3.43Å; F370-G376 VanDerWaalsContact CE1-C 3.5Å
371	E	97.9	Very high	98	Very high	12 Å²	12	20 Å²	20	6%	0.056	10%	0.1	C	C	.	.			trans	-85.5	148.7	160.8	-65	-168.2	128.6	0	0	109.2	G299 T328 T352 G353 L357 N373 G374 H375	G299-E371 WeakPolarHBondContact CA-O 3.29Å; T328-E371 HydrophobicContact CG2-CG 3.98Å; T352-E371 VanDerWaalsContact CG2-OE1 3.31Å; T352-E371 WeakPolarHBondContact CG2-OE1 3.24Å; G353-E371 PolarHBondContact N-OE1 3.44Å; L357-E371 HydrophobicContact CD1-CG 4.02Å; L357-E371 HydrophobicContact CD2-CG 3.72Å; E371-N373 WeakPolarHBondContact CB-OD1 3.35Å; E371-N373 PolarHBondContact O-N 2.73Å; E371-N373 PolarHBondContact OE2-ND2 3.26Å; E371-G374 PolarHBondContact O-N 3.12Å; E371-H375 PolarHBondContact N-O 3.06Å
372	A	97.3	Very high	98	Very high	3 Å²	3	28 Å²	28	3%	0.025	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-11.2	176.8	0	0	0	0	0	114.1	K256 D298 G374	K256-A372 VanDerWaalsContact CD-O 3.3Å; K256-A372 WeakPolarHBondContact CD-O 3.29Å; K256-A372 WeakPolarHBondContact CE-O 3.28Å; D298-A372 WeakPolarHBondContact CB-O 3.18Å; A372-G374 VanDerWaalsContact C-N 3.26Å
373	N	95.7	Very high	98.1	Very high	34 Å²	34	24.6 Å²	24.6	18%	0.182	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-3	173.4	64.5	25.5	0	0	0	113.9	E371 H375	E371-N373 WeakPolarHBondContact CB-OD1 3.35Å; E371-N373 PolarHBondContact O-N 2.73Å; E371-N373 PolarHBondContact OE2-ND2 3.26Å; N373-H375 WeakPolarHBondContact OD1-CB 3.44Å; N373-H375 PolarHBondContact OD1-N 2.72Å
374	G	98	Very high	98.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	95.4	-0.9	179.7	0	0	0	0	0	115.6	R282 I283 E371 A372	R282-G374 WeakPolarHBondContact CA-O 3.39Å; I283-G374 PolarHBondContact N-O 3.26Å; I283-G374 VanDerWaalsContact N-O 3.11Å; I283-G374 WeakPolarHBondContact O-CA 3.45Å; E371-G374 PolarHBondContact O-N 3.12Å; A372-G374 VanDerWaalsContact C-N 3.26Å
375	H	98.1	Very high	98.1	Very high	10 Å²	10	21 Å²	21	5%	0.046	11%	0.11	C	C	.	.			trans	-84.3	121.2	174.1	-162	119.6	0	0	0	110	D281 R282 V354 F370 E371 N373	D281-H375 VanDerWaalsContact CG-CE1 3.43Å; D281-H375 PolarHBondContact O-ND1 2.82Å; D281-H375 IonicContact OD1-CE1 3.29Å; D281-H375 PolarHBondContact OD1-CE1 3.06Å; D281-H375 IonicContact OD1-ND1 2.74Å; D281-H375 PolarHBondContact OD1-ND1 2.74Å; D281-H375 IonicContact OD2-CE1 2.74Å; D281-H375 IonicContact OD2-ND1 3Å; R282-H375 HydrophobicContact CG-CB 3.99Å; V354-H375 HydrophobicContact CG2-CB 4.46Å; V354-H375 WeakPolarHBondContact CG2-CD2 3.1Å; V354-H375 VanDerWaalsContact CG2-NE2 3.29Å; V354-H375 WeakPolarHBondContact CG2-NE2 3.38Å; F370-H375 CarbonylContact C-O 3.59Å; F370-H375 WeakPolarHBondContact CA-O 3.32Å; E371-H375 PolarHBondContact N-O 3.06Å; N373-H375 WeakPolarHBondContact OD1-CB 3.44Å; N373-H375 PolarHBondContact OD1-N 2.72Å
376	G	98.2	Very high	98.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.3	173.6	176.1	0	0	0	0	0	113.4	Y369 F370 G420	Y369-G376 CarbonylContact O-C 3.6Å; Y369-G376 WeakPolarHBondContact O-CA 3.39Å; F370-G376 VanDerWaalsContact CD1-CA 3.43Å; F370-G376 VanDerWaalsContact CE1-C 3.5Å; G376-G420 WeakPolarHBondContact O-CA 3.28Å
377	T	98.6	Very high	98	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	-171.3	172.4	-174.1	0	0	0	0	109.2	Y369 L379 I415 N416	Y369-T377 HydrophobicContact CE1-CG2 3.58Å; Y369-T377 HydrophobicContact CE2-CG2 4.27Å; Y369-T377 VanDerWaalsContact CZ-CG2 3.45Å; Y369-T377 PolarHBondContact N-O 2.91Å; Y369-T377 PolarHBondContact O-N 2.81Å; Y369-T377 VanDerWaalsContact O-O 3.1Å; Y369-T377 VanDerWaalsContact OH-CG2 3.26Å; Y369-T377 WeakPolarHBondContact OH-CG2 3.38Å; T377-L379 HydrophobicContact CG2-CD2 4.3Å; T377-I415 VanDerWaalsContact OG1-CG2 3.3Å; T377-I415 WeakPolarHBondContact OG1-CG2 3.24Å; T377-N416 WeakPolarHBondContact CB-O 3.28Å; T377-N416 PolarHBondContact OG1-O 3.47Å
378	V	98.8	Very high	98	Very high	1 Å²	1	30 Å²	30	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	137.3	173	-169.4	0	0	0	0	109.7	I306 L310 I366 G367 V368 F380 I415	I306-V378 HydrophobicContact CG2-CG2 3.7Å; L310-V378 HydrophobicContact CD1-CG1 3.97Å; L310-V378 HydrophobicContact CD1-CG2 4.35Å; I366-V378 HydrophobicContact CG2-CG1 3.57Å; G367-V378 CarbonylContact O-C 3.53Å; G367-V378 WeakPolarHBondContact O-CA 3.26Å; V368-V378 HydrophobicContact CB-CG2 4.41Å; V368-V378 HydrophobicContact CG1-CG2 4.24Å; V368-V378 HydrophobicContact CG2-CB 4.48Å; V368-V378 HydrophobicContact CG2-CG1 3.8Å; V368-V378 HydrophobicContact CG2-CG2 3.99Å; V378-F380 HydrophobicContact CB-CE2 4.03Å; V378-F380 HydrophobicContact CB-CZ 4.47Å; V378-F380 HydrophobicContact CG1-CD2 4.37Å; V378-F380 HydrophobicContact CG1-CE2 3.7Å; V378-F380 HydrophobicContact CG1-CZ 3.83Å; V378-I415 HydrophobicContact CB-CD1 3.99Å; V378-I415 HydrophobicContact CB-CG2 4.08Å; V378-I415 HydrophobicContact CG2-CD1 3.99Å; V378-I415 VanDerWaalsContact O-CG2 3.28Å; V378-I415 WeakPolarHBondContact O-CG2 3.45Å
379	L	98.4	Very high	97.9	Very high	13 Å²	13	34.5 Å²	34.5	7%	0.068	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	142.3	173.2	-52.9	-178.6	0	0	0	110	H358 A361 Q362 I366 G367 Y369 T377 Q417	H358-L379 VanDerWaalsContact CE1-CD1 3.5Å; H358-L379 WeakPolarHBondContact CE1-CD1 3.27Å; A361-L379 HydrophobicContact CB-CD1 3.89Å; A361-L379 HydrophobicContact CB-CG 4.4Å; Q362-L379 HydrophobicContact CG-CD1 3.65Å; I366-L379 WeakPolarHBondContact CA-O 3.23Å; G367-L379 PolarHBondContact N-O 3.23Å; G367-L379 PolarHBondContact O-N 3.32Å; Y369-L379 HydrophobicContact CD1-CG 4.4Å; Y369-L379 HydrophobicContact CE1-CD1 4.05Å; Y369-L379 HydrophobicContact CE1-CD2 4.22Å; Y369-L379 HydrophobicContact CE1-CG 3.91Å; T377-L379 HydrophobicContact CG2-CD2 4.3Å; L379-Q417 HydrophobicContact CD2-CB 4.23Å; L379-Q417 VanDerWaalsContact CD2-O 3.23Å; L379-Q417 WeakPolarHBondContact CD2-O 3.47Å
380	F	98.5	Very high	97.8	Very high	15 Å²	15	42.1 Å²	42.1	7%	0.066	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	131.2	173.6	-61.7	-99.2	0	0	0	108.9	L310 D365 I366 V378 E385 I388 V412 I415 Q417	L310-F380 HydrophobicContact CD1-CZ 4.41Å; L310-F380 HydrophobicContact CD2-CE1 4.46Å; L310-F380 HydrophobicContact CD2-CZ 4.22Å; D365-F380 WeakPolarHBondContact O-CA 3.48Å; I366-F380 HydrophobicContact CD1-CD1 4Å; I366-F380 HydrophobicContact CD1-CE1 3.82Å; I366-F380 HydrophobicContact CG1-CD1 3.83Å; I366-F380 HydrophobicContact CG1-CE1 4.07Å; I366-F380 HydrophobicContact CG2-CD1 4.22Å; I366-F380 HydrophobicContact CG2-CE1 3.92Å; I366-F380 HydrophobicContact CG2-CZ 4.32Å; V378-F380 HydrophobicContact CB-CE2 4.03Å; V378-F380 HydrophobicContact CB-CZ 4.47Å; V378-F380 HydrophobicContact CG1-CD2 4.37Å; V378-F380 HydrophobicContact CG1-CE2 3.7Å; V378-F380 HydrophobicContact CG1-CZ 3.83Å; F380-E385 HydrophobicContact CB-CG 3.67Å; F380-I388 HydrophobicContact CD1-CD1 4.29Å; F380-V412 HydrophobicContact CD1-CG2 3.76Å; F380-V412 HydrophobicContact CD2-CG1 4.19Å; F380-V412 HydrophobicContact CD2-CG2 4.02Å; F380-V412 HydrophobicContact CE1-CG2 3.65Å; F380-V412 HydrophobicContact CE2-CB 4.46Å; F380-V412 HydrophobicContact CE2-CG2 3.93Å; F380-V412 HydrophobicContact CG-CG1 4.45Å; F380-V412 HydrophobicContact CG-CG2 3.96Å; F380-V412 HydrophobicContact CZ-CG2 3.76Å; F380-I415 HydrophobicContact CE2-CD1 3.81Å; F380-I415 HydrophobicContact CZ-CD1 4Å; F380-Q417 HydrophobicContact CD2-CG 4.43Å
381	S	98.1	Very high	97.7	Very high	33 Å²	33	43 Å²	43	23%	0.231	21%	0.208	C	C	.	.			trans	-64.5	149.7	171.3	84.3	0	0	0	0	109.3	D365 A383 A384 E385	D365-S381 PolarHBondContact O-N 2.87Å; D365-S381 PolarHBondContact OD1-OG 3.49Å; S381-A383 PolarHBondContact O-N 3.12Å; S381-A383 VanDerWaalsContact O-N 3.16Å; S381-A384 WeakPolarHBondContact O-CA 3.39Å; S381-A384 WeakPolarHBondContact O-CB 3.31Å; S381-A384 PolarHBondContact O-N 3.32Å; S381-A384 WeakPolarHBondContact OG-CB 3.35Å; S381-A384 PolarHBondContact OG-N 3.21Å; S381-A384 VanDerWaalsContact OG-N 3.08Å; S381-E385 PolarHBondContact O-N 2.93Å
382	K	96.4	Very high	97.6	Very high	169 Å²	169	42.5 Å²	42.5	74%	0.735	21%	0.206	S	C	*	.	H	α-helix	trans	-54.4	-38.3	176.5	-68.2	-178.3	179.9	173.5	0	112.1	E385 E386	K382-E385 PolarHBondContact O-N 2.82Å; K382-E386 WeakPolarHBondContact O-CB 3.17Å; K382-E386 VanDerWaalsContact O-CG 3.26Å; K382-E386 WeakPolarHBondContact O-CG 3.26Å; K382-E386 PolarHBondContact O-N 3.24Å
383	A	97.8	Very high	97.5	Very high	46 Å²	46	48.3 Å²	48.3	38%	0.38	23%	0.233	S	C	.	.	H	α-helix	trans	-66.1	-37.2	177	0	0	0	0	0	112.4	S381 K387	S381-A383 PolarHBondContact O-N 3.12Å; S381-A383 VanDerWaalsContact O-N 3.16Å; A383-K387 WeakPolarHBondContact O-CB 3.38Å; A383-K387 WeakPolarHBondContact O-CD 3.48Å; A383-K387 VanDerWaalsContact O-CG 3.26Å; A383-K387 WeakPolarHBondContact O-CG 3.38Å; A383-K387 PolarHBondContact O-N 3.36Å; A383-K387 VanDerWaalsContact O-N 3.08Å
384	A	98.3	Very high	97.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65.4	-47.7	173.8	0	0	0	0	0	111.3	L321 D365 S381 E386 K387 I388	L321-A384 HydrophobicContact CD1-CB 3.92Å; L321-A384 HydrophobicContact CD2-CB 4.14Å; D365-A384 HydrophobicContact CB-CB 4.15Å; D365-A384 WeakPolarHBondContact O-CB 3.38Å; S381-A384 WeakPolarHBondContact O-CA 3.39Å; S381-A384 WeakPolarHBondContact O-CB 3.31Å; S381-A384 PolarHBondContact O-N 3.32Å; S381-A384 WeakPolarHBondContact OG-CB 3.35Å; S381-A384 PolarHBondContact OG-N 3.21Å; S381-A384 VanDerWaalsContact OG-N 3.08Å; A384-E386 PolarHBondContact O-N 3.49Å; A384-K387 PolarHBondContact O-N 3.1Å; A384-I388 VanDerWaalsContact O-CG1 3.28Å; A384-I388 WeakPolarHBondContact O-CG1 3.41Å; A384-I388 PolarHBondContact O-N 3.12Å
385	E	97.8	Very high	96.7	Very high	65 Å²	65	53.4 Å²	53.4	30%	0.304	27%	0.267	S	S	.	.	H	α-helix	trans	-58	-47.2	176.8	-66.9	-171.6	160.6	0	0	112	F380 S381 K382 K387 I388 Q389 V412 Q417	F380-E385 HydrophobicContact CB-CG 3.67Å; S381-E385 PolarHBondContact O-N 2.93Å; K382-E385 PolarHBondContact O-N 2.82Å; E385-K387 PolarHBondContact O-N 3.11Å; E385-I388 PolarHBondContact O-N 3.32Å; E385-Q389 VanDerWaalsContact O-CB 3.3Å; E385-Q389 WeakPolarHBondContact O-CB 3.04Å; E385-Q389 PolarHBondContact O-N 3.43Å; E385-V412 HydrophobicContact CG-CG1 4.34Å; E385-Q417 PolarHBondContact OE1-NE2 2.91Å
386	E	97.7	Very high	96.2	Very high	126 Å²	126	59.9 Å²	59.9	59%	0.589	30%	0.302	S	S	*	.	H	α-helix	trans	-61.6	-42.7	178.4	-75	172.1	-172.9	0	0	112.1	K382 A384 Q389 K390	K382-E386 WeakPolarHBondContact O-CB 3.17Å; K382-E386 VanDerWaalsContact O-CG 3.26Å; K382-E386 WeakPolarHBondContact O-CG 3.26Å; K382-E386 PolarHBondContact O-N 3.24Å; A384-E386 PolarHBondContact O-N 3.49Å; E386-Q389 PolarHBondContact O-N 3Å; E386-K390 VanDerWaalsContact O-CB 3.25Å; E386-K390 WeakPolarHBondContact O-CB 3.44Å; E386-K390 PolarHBondContact O-N 2.58Å
387	K	97.9	Very high	95.6	Very high	99 Å²	99	61 Å²	61	43%	0.43	31%	0.309	S	S	.	.	H	α-helix	trans	-63.4	-45.5	176.2	-77.9	169.2	175	-180	0	111.7	L321 A383 A384 E385 L391	L321-K387 HydrophobicContact CD2-CD 3.7Å; A383-K387 WeakPolarHBondContact O-CB 3.38Å; A383-K387 WeakPolarHBondContact O-CD 3.48Å; A383-K387 VanDerWaalsContact O-CG 3.26Å; A383-K387 WeakPolarHBondContact O-CG 3.38Å; A383-K387 PolarHBondContact O-N 3.36Å; A383-K387 VanDerWaalsContact O-N 3.08Å; A384-K387 PolarHBondContact O-N 3.1Å; E385-K387 PolarHBondContact O-N 3.11Å; K387-L391 PolarHBondContact O-N 3.01Å; K387-L391 VanDerWaalsContact O-N 3.11Å
388	I	98.1	Very high	95.2	Very high	2 Å²	2	65.6 Å²	65.6	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-61.5	-48.1	177.2	-69.3	164.5	0	0	0	110	L319 L321 F380 A384 E385 K390 L391 A392 L408 Q409 V412	L319-I388 HydrophobicContact CD1-CG1 3.85Å; L321-I388 HydrophobicContact CD1-CD1 4.36Å; L321-I388 HydrophobicContact CD1-CG1 4.32Å; F380-I388 HydrophobicContact CD1-CD1 4.29Å; A384-I388 VanDerWaalsContact O-CG1 3.28Å; A384-I388 WeakPolarHBondContact O-CG1 3.41Å; A384-I388 PolarHBondContact O-N 3.12Å; E385-I388 PolarHBondContact O-N 3.32Å; I388-K390 PolarHBondContact O-N 2.84Å; I388-L391 PolarHBondContact O-N 2.97Å; I388-A392 WeakPolarHBondContact O-CB 3.48Å; I388-A392 PolarHBondContact O-N 3.42Å; I388-L408 HydrophobicContact CD1-CB 4.37Å; I388-L408 HydrophobicContact CG1-CB 4.44Å; I388-L408 HydrophobicContact CG1-CD1 4.4Å; I388-L408 HydrophobicContact CG2-CB 3.74Å; I388-Q409 HydrophobicContact CG2-CB 4.07Å; I388-V412 HydrophobicContact CD1-CG2 4.34Å
389	Q	96.8	Very high	94.8	Very high	94 Å²	94	71.6 Å²	71.6	44%	0.439	37%	0.366	S	S	.	.	H	α-helix	trans	-61.7	-46.3	-179.7	-177.8	177.2	28.6	0	0	111.9	E385 E386 L391 A392 Q393	E385-Q389 VanDerWaalsContact O-CB 3.3Å; E385-Q389 WeakPolarHBondContact O-CB 3.04Å; E385-Q389 PolarHBondContact O-N 3.43Å; E386-Q389 PolarHBondContact O-N 3Å; Q389-L391 VanDerWaalsContact C-N 3.32Å; Q389-L391 PolarHBondContact O-N 3.45Å; Q389-A392 PolarHBondContact O-N 3.31Å; Q389-Q393 WeakPolarHBondContact O-CG 3.06Å; Q389-Q393 PolarHBondContact O-N 3.04Å; Q389-Q393 VanDerWaalsContact O-N 3.09Å
390	K	96.8	Very high	94.5	Very high	162 Å²	162	78 Å²	78	70%	0.704	40%	0.395	S	S	*	.	H	α-helix	trans	-59.2	-43.8	178.8	-174.7	178.9	-179.7	-179	0	111.4	E386 I388 Q393 D394	E386-K390 VanDerWaalsContact O-CB 3.25Å; E386-K390 WeakPolarHBondContact O-CB 3.44Å; E386-K390 PolarHBondContact O-N 2.58Å; I388-K390 PolarHBondContact O-N 2.84Å; K390-Q393 PolarHBondContact O-N 3.49Å; K390-D394 PolarHBondContact O-N 2.87Å; K390-D394 VanDerWaalsContact O-N 3.1Å
391	L	96.7	Very high	94.3	Very high	18 Å²	18	81.9 Å²	81.9	9%	0.094	41%	0.409	C	S	.	.	H	α-helix	trans	-68.8	-38.6	179.1	-172.4	63.2	0	0	0	112.5	A317 L319 K387 I388 Q389 Q393 D394 T397 A405	A317-L391 HydrophobicContact CB-CD2 3.91Å; A317-L391 WeakPolarHBondContact O-CD2 3.25Å; L319-L391 HydrophobicContact CD1-CD2 4.05Å; L319-L391 HydrophobicContact CD2-CD2 3.89Å; L319-L391 HydrophobicContact CG-CD2 3.82Å; K387-L391 PolarHBondContact O-N 3.01Å; K387-L391 VanDerWaalsContact O-N 3.11Å; I388-L391 PolarHBondContact O-N 2.97Å; Q389-L391 VanDerWaalsContact C-N 3.32Å; Q389-L391 PolarHBondContact O-N 3.45Å; L391-Q393 VanDerWaalsContact C-N 3.26Å; L391-Q393 PolarHBondContact O-N 3.23Å; L391-D394 PolarHBondContact O-N 3.45Å; L391-T397 HydrophobicContact CD1-CG2 3.77Å; L391-A405 HydrophobicContact CB-CB 3.94Å; L391-A405 HydrophobicContact CD2-CB 3.83Å; L391-A405 HydrophobicContact CG-CB 3.73Å
392	A	95.1	Very high	94.2	Very high	3 Å²	3	84 Å²	84	3%	0.025	41%	0.412	C	S	.	.	H	α-helix	trans	-63.6	-32.9	176.9	0	0	0	0	0	112.6	I388 Q389 R402 A405 L406	I388-A392 WeakPolarHBondContact O-CB 3.48Å; I388-A392 PolarHBondContact O-N 3.42Å; Q389-A392 PolarHBondContact O-N 3.31Å; A392-R402 PolarHBondContact O-NE 2.82Å; A392-R402 VanDerWaalsContact O-NE 3.16Å; A392-A405 HydrophobicContact CB-CB 4.08Å; A392-L406 HydrophobicContact CB-CD2 3.97Å; A392-L406 HydrophobicContact CB-CG 4.25Å
393	Q	94.8	Very high	94.1	Very high	125 Å²	125	83.1 Å²	83.1	58%	0.584	40%	0.404	S	S	*	.	H	α-helix	trans	-86.8	-16.1	-179.8	-68.4	175.3	-2.4	0	0	113.8	Q389 K390 L391 S395	Q389-Q393 WeakPolarHBondContact O-CG 3.06Å; Q389-Q393 PolarHBondContact O-N 3.04Å; Q389-Q393 VanDerWaalsContact O-N 3.09Å; K390-Q393 PolarHBondContact O-N 3.49Å; L391-Q393 VanDerWaalsContact C-N 3.26Å; L391-Q393 PolarHBondContact O-N 3.23Å; Q393-S395 PolarHBondContact O-N 2.85Å; Q393-S395 VanDerWaalsContact O-N 3.15Å
394	D	92.6	Very high	94	Very high	54 Å²	54	81 Å²	81	29%	0.289	39%	0.387	S	S	.	.			trans	-71.5	107.5	-178.6	-176.9	11.2	0	0	0	111.7	K390 L391 N396 T397	K390-D394 PolarHBondContact O-N 2.87Å; K390-D394 VanDerWaalsContact O-N 3.1Å; L391-D394 PolarHBondContact O-N 3.45Å; D394-N396 PolarHBondContact O-N 3.46Å; D394-N396 WeakPolarHBondContact OD1-CB 3.37Å; D394-N396 PolarHBondContact OD1-N 2.9Å; D394-T397 PolarHBondContact OD2-OG1 2.79Å
395	S	86.4	Confident	94	Very high	86 Å²	86	81 Å²	81	60%	0.601	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-12.3	177.4	58.6	0	0	0	0	114.2	Q393	Q393-S395 PolarHBondContact O-N 2.85Å; Q393-S395 VanDerWaalsContact O-N 3.15Å
396	N	86.6	Confident	93.9	Very high	147 Å²	147	81.2 Å²	81.2	79%	0.786	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-6.1	-178.7	-57.6	-48.2	0	0	0	112.8	D394	D394-N396 PolarHBondContact O-N 3.46Å; D394-N396 WeakPolarHBondContact OD1-CB 3.37Å; D394-N396 PolarHBondContact OD1-N 2.9Å
397	T	85.9	Confident	93.9	Very high	24 Å²	24	76.6 Å²	76.6	15%	0.147	37%	0.369	C	S	.	.	S	Bend	trans	-80.9	149.2	176.2	-81.5	0	0	0	0	110.9	L391 D394 D399 R401 R402	L391-T397 HydrophobicContact CD1-CG2 3.77Å; D394-T397 PolarHBondContact OD2-OG1 2.79Å; T397-D399 PolarHBondContact O-N 3.3Å; T397-R401 HydrophobicContact CG2-CB 3.65Å; T397-R402 HydrophobicContact CG2-CB 4.33Å
398	N	89.6	Confident	93.9	Very high	96 Å²	96	71.9 Å²	71.9	51%	0.513	35%	0.348	S	S	.	.			trans	-51.9	136	173.4	178.2	2.8	0	0	0	111.8	E400 R401 R402	N398-E400 VanDerWaalsContact C-N 3.25Å; N398-E400 PolarHBondContact O-N 3.18Å; N398-E400 VanDerWaalsContact O-N 3.16Å; N398-E400 PolarHBondContact OD1-N 3.25Å; N398-R401 PolarHBondContact O-N 3.15Å; N398-R401 VanDerWaalsContact O-N 3.11Å; N398-R402 PolarHBondContact O-N 3.35Å
399	D	89.8	Confident	93.9	Very high	127 Å²	127	74 Å²	74	68%	0.679	36%	0.358	S	S	*	.	H	α-helix	trans	-49.6	-39.3	179.8	-71.9	-21.4	0	0	0	113.8	T397 R403	T397-D399 PolarHBondContact O-N 3.3Å; D399-R403 WeakPolarHBondContact O-CB 3.33Å; D399-R403 PolarHBondContact O-N 2.9Å
400	E	92.4	Very high	94	Very high	146 Å²	146	70.8 Å²	70.8	68%	0.682	34%	0.344	S	S	*	.	H	α-helix	trans	-66.1	-47.6	178.8	-69.4	-175.4	163	0	0	112.4	N398 R402 R403 A404	N398-E400 VanDerWaalsContact C-N 3.25Å; N398-E400 PolarHBondContact O-N 3.18Å; N398-E400 VanDerWaalsContact O-N 3.16Å; N398-E400 PolarHBondContact OD1-N 3.25Å; E400-R402 VanDerWaalsContact C-N 3.33Å; E400-R402 PolarHBondContact O-N 2.93Å; E400-R403 PolarHBondContact O-N 3.11Å; E400-A404 PolarHBondContact O-N 2.9Å
401	R	95.5	Very high	94.1	Very high	98 Å²	98	63.1 Å²	63.1	37%	0.37	31%	0.31	S	S	.	.	H	α-helix	trans	-64	-42.8	177.8	-66.8	-175.2	67.9	-179.8	3.5	110.8	Q316 A317 G318 T397 N398 R403 A404 A405	Q316-R401 WeakPolarHBondContact O-CG 3.37Å; A317-R401 VanDerWaalsContact O-CZ 3.3Å; A317-R401 PolarHBondContact O-NE 3.23Å; A317-R401 PolarHBondContact O-NH2 3.3Å; G318-R401 PolarHBondContact O-NH2 3.41Å; T397-R401 HydrophobicContact CG2-CB 3.65Å; N398-R401 PolarHBondContact O-N 3.15Å; N398-R401 VanDerWaalsContact O-N 3.11Å; R401-R403 VanDerWaalsContact C-N 3.34Å; R401-A404 PolarHBondContact O-N 3.3Å; R401-A405 WeakPolarHBondContact O-CB 3.41Å; R401-A405 PolarHBondContact O-N 3.15Å
402	R	94.6	Very high	94.2	Very high	77 Å²	77	62.9 Å²	62.9	29%	0.291	31%	0.31	S	S	.	.	H	α-helix	trans	-63.4	-41.1	177.1	-170.9	178.5	-177	-175.4	2.9	111.2	A392 T397 N398 E400 A405 L406	A392-R402 PolarHBondContact O-NE 2.82Å; A392-R402 VanDerWaalsContact O-NE 3.16Å; T397-R402 HydrophobicContact CG2-CB 4.33Å; N398-R402 PolarHBondContact O-N 3.35Å; E400-R402 VanDerWaalsContact C-N 3.33Å; E400-R402 PolarHBondContact O-N 2.93Å; R402-A405 PolarHBondContact O-N 3.28Å; R402-L406 HydrophobicContact CG-CD1 4.36Å; R402-L406 WeakPolarHBondContact O-CG 3.38Å; R402-L406 PolarHBondContact O-N 3.47Å
403	R	94.4	Very high	94.3	Very high	151 Å²	151	66 Å²	66	57%	0.57	33%	0.326	S	S	*	.	H	α-helix	trans	-61.8	-45.7	174.8	-178.9	179.1	177.4	169.9	0.1	111.5	D399 E400 R401 A405 L406 L407	D399-R403 WeakPolarHBondContact O-CB 3.33Å; D399-R403 PolarHBondContact O-N 2.9Å; E400-R403 PolarHBondContact O-N 3.11Å; R401-R403 VanDerWaalsContact C-N 3.34Å; R403-A405 VanDerWaalsContact C-N 3.33Å; R403-A405 PolarHBondContact O-N 3.3Å; R403-L406 PolarHBondContact O-N 3.3Å; R403-L407 WeakPolarHBondContact O-CG 3.36Å; R403-L407 PolarHBondContact O-N 2.9Å
404	A	96.6	Very high	94.5	Very high	2 Å²	2	60.1 Å²	60.1	2%	0.017	30%	0.299	C	S	.	.	H	α-helix	trans	-61.3	-41.3	175.6	0	0	0	0	0	111.8	L313 Q316 A317 E400 R401 L406 L407 L408	L313-A404 HydrophobicContact CD2-CB 4.37Å; Q316-A404 HydrophobicContact CB-CB 3.7Å; A317-A404 HydrophobicContact CB-CB 3.96Å; E400-A404 PolarHBondContact O-N 2.9Å; R401-A404 PolarHBondContact O-N 3.3Å; A404-L406 PolarHBondContact O-N 2.88Å; A404-L407 PolarHBondContact O-N 2.79Å; A404-L408 WeakPolarHBondContact O-CG 3.36Å; A404-L408 PolarHBondContact O-N 3.03Å
405	A	97.3	Very high	94.8	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-64.1	-38.4	174.8	0	0	0	0	0	113	L391 A392 R401 R402 R403 L408 Q409	L391-A405 HydrophobicContact CB-CB 3.94Å; L391-A405 HydrophobicContact CD2-CB 3.83Å; L391-A405 HydrophobicContact CG-CB 3.73Å; A392-A405 HydrophobicContact CB-CB 4.08Å; R401-A405 WeakPolarHBondContact O-CB 3.41Å; R401-A405 PolarHBondContact O-N 3.15Å; R402-A405 PolarHBondContact O-N 3.28Å; R403-A405 VanDerWaalsContact C-N 3.33Å; R403-A405 PolarHBondContact O-N 3.3Å; A405-L408 PolarHBondContact O-N 3.34Å; A405-Q409 WeakPolarHBondContact O-CB 3.47Å; A405-Q409 PolarHBondContact O-N 3.03Å
406	L	96.8	Very high	95.3	Very high	68 Å²	68	53.6 Å²	53.6	36%	0.356	26%	0.257	S	S	.	.	H	α-helix	trans	-65.9	-39.2	173.8	-74.3	166.4	0	0	0	111.8	A392 R402 R403 A404 Q409 N410	A392-L406 HydrophobicContact CB-CD2 3.97Å; A392-L406 HydrophobicContact CB-CG 4.25Å; R402-L406 HydrophobicContact CG-CD1 4.36Å; R402-L406 WeakPolarHBondContact O-CG 3.38Å; R402-L406 PolarHBondContact O-N 3.47Å; R403-L406 PolarHBondContact O-N 3.3Å; A404-L406 PolarHBondContact O-N 2.88Å; L406-Q409 PolarHBondContact O-N 3.47Å; L406-N410 PolarHBondContact O-N 3.49Å; L406-N410 PolarHBondContact O-ND2 3.2Å
407	L	97.6	Very high	95.8	Very high	30 Å²	30	48 Å²	48	16%	0.157	23%	0.226	C	C	.	.	H	α-helix	trans	-63.2	-47.8	173.2	-69.9	174.2	0	0	0	110.6	L195 L313 R403 A404 Q409 N410 T411 I435	L195-L407 HydrophobicContact CD2-CB 4.42Å; L195-L407 HydrophobicContact CD2-CD2 3.78Å; L313-L407 HydrophobicContact CD1-CB 3.87Å; L313-L407 HydrophobicContact CD2-CB 4.02Å; L313-L407 HydrophobicContact CD2-CD1 3.81Å; R403-L407 WeakPolarHBondContact O-CG 3.36Å; R403-L407 PolarHBondContact O-N 2.9Å; A404-L407 PolarHBondContact O-N 2.79Å; L407-Q409 VanDerWaalsContact C-N 3.35Å; L407-Q409 PolarHBondContact O-N 3.18Å; L407-N410 PolarHBondContact O-N 3.08Å; L407-T411 WeakPolarHBondContact O-CB 3.45Å; L407-T411 PolarHBondContact O-N 2.7Å; L407-T411 PolarHBondContact O-OG1 2.86Å; L407-T411 VanDerWaalsContact O-OG1 3.04Å; L407-I435 HydrophobicContact CD2-CD1 4.42Å
408	L	98.3	Very high	96.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-55.4	-48.3	174.4	-76.4	166.9	0	0	0	111.7	L310 L313 L314 A317 L319 I388 A404 A405 N410 T411 V412	L310-L408 HydrophobicContact CD2-CD2 3.95Å; L313-L408 HydrophobicContact CB-CD1 4.19Å; L313-L408 HydrophobicContact CB-CD2 3.71Å; L313-L408 HydrophobicContact CB-CG 3.75Å; L313-L408 HydrophobicContact CD1-CD2 3.91Å; L313-L408 HydrophobicContact CD1-CG 3.96Å; L314-L408 HydrophobicContact CD2-CD1 3.94Å; L314-L408 HydrophobicContact CD2-CD2 4.47Å; A317-L408 HydrophobicContact CB-CD1 4.13Å; L319-L408 HydrophobicContact CD1-CD1 4.06Å; I388-L408 HydrophobicContact CD1-CB 4.37Å; I388-L408 HydrophobicContact CG1-CB 4.44Å; I388-L408 HydrophobicContact CG1-CD1 4.4Å; I388-L408 HydrophobicContact CG2-CB 3.74Å; A404-L408 WeakPolarHBondContact O-CG 3.36Å; A404-L408 PolarHBondContact O-N 3.03Å; A405-L408 PolarHBondContact O-N 3.34Å; L408-N410 PolarHBondContact O-N 3.46Å; L408-T411 CarbonylContact O-C 3.5Å; L408-T411 WeakPolarHBondContact O-CA 3.39Å; L408-T411 WeakPolarHBondContact O-CB 3.45Å; L408-T411 PolarHBondContact O-N 3.01Å; L408-T411 VanDerWaalsContact O-N 3.13Å; L408-V412 VanDerWaalsContact O-CG2 3.3Å; L408-V412 WeakPolarHBondContact O-CG2 3.39Å; L408-V412 PolarHBondContact O-N 2.71Å
409	Q	98.1	Very high	96.6	Very high	47 Å²	47	43 Å²	43	22%	0.22	20%	0.199	C	C	.	.	H	α-helix	trans	-59.8	-44	179.3	179.5	177.1	77	0	0	112.2	I388 A405 L406 L407 T411 V412 N413	I388-Q409 HydrophobicContact CG2-CB 4.07Å; A405-Q409 WeakPolarHBondContact O-CB 3.47Å; A405-Q409 PolarHBondContact O-N 3.03Å; L406-Q409 PolarHBondContact O-N 3.47Å; L407-Q409 VanDerWaalsContact C-N 3.35Å; L407-Q409 PolarHBondContact O-N 3.18Å; Q409-T411 VanDerWaalsContact C-N 3.33Å; Q409-V412 PolarHBondContact O-N 3.49Å; Q409-N413 PolarHBondContact O-N 2.95Å; Q409-N413 VanDerWaalsContact O-N 3.08Å; Q409-N413 PolarHBondContact O-ND2 3.19Å
410	N	98.3	Very high	97	Very high	26 Å²	26	36.9 Å²	36.9	14%	0.139	17%	0.166	C	C	.	.	H	α-helix	trans	-68.6	-34.4	176.3	-71.6	-65.3	0	0	0	111.6	Q194 L195 L406 L407 L408 N413 L414	Q194-N410 HydrophobicContact CB-CB 4.42Å; Q194-N410 WeakPolarHBondContact CB-OD1 3.41Å; L195-N410 HydrophobicContact CD1-CB 4.49Å; L195-N410 HydrophobicContact CD2-CB 3.74Å; L195-N410 HydrophobicContact CG-CB 3.79Å; L406-N410 PolarHBondContact O-N 3.49Å; L406-N410 PolarHBondContact O-ND2 3.2Å; L407-N410 PolarHBondContact O-N 3.08Å; L408-N410 PolarHBondContact O-N 3.46Å; N410-N413 PolarHBondContact O-N 3.36Å; N410-L414 WeakPolarHBondContact O-CB 3.27Å; N410-L414 PolarHBondContact O-N 3.04Å
411	T	98.6	Very high	97.3	Very high	0 Å²	0	30 Å²	30	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.4	-44.7	172.3	-64.4	0	0	0	0	111.7	Y309 L310 L407 L408 Q409 N413 L414 I415 L428	Y309-T411 HydrophobicContact CE1-CG2 4.23Å; Y309-T411 WeakPolarHBondContact CE1-OG1 3.42Å; L310-T411 HydrophobicContact CD2-CG2 3.82Å; L407-T411 WeakPolarHBondContact O-CB 3.45Å; L407-T411 PolarHBondContact O-N 2.7Å; L407-T411 PolarHBondContact O-OG1 2.86Å; L407-T411 VanDerWaalsContact O-OG1 3.04Å; L408-T411 CarbonylContact O-C 3.5Å; L408-T411 WeakPolarHBondContact O-CA 3.39Å; L408-T411 WeakPolarHBondContact O-CB 3.45Å; L408-T411 PolarHBondContact O-N 3.01Å; L408-T411 VanDerWaalsContact O-N 3.13Å; Q409-T411 VanDerWaalsContact C-N 3.33Å; T411-N413 VanDerWaalsContact C-N 3.28Å; T411-N413 PolarHBondContact O-N 2.89Å; T411-L414 PolarHBondContact O-N 2.83Å; T411-I415 HydrophobicContact CG2-CD1 3.54Å; T411-I415 HydrophobicContact CG2-CG1 4.42Å; T411-I415 WeakPolarHBondContact O-CD1 3.43Å; T411-I415 VanDerWaalsContact O-CG1 3.28Å; T411-I415 WeakPolarHBondContact O-CG1 3.47Å; T411-I415 PolarHBondContact O-N 2.6Å; T411-L428 HydrophobicContact CG2-CD1 3.86Å
412	V	98.4	Very high	97.5	Very high	14 Å²	14	25.3 Å²	25.3	9%	0.085	12%	0.116	C	C	.	.	H	α-helix	trans	-58	-41.1	173.1	178.2	0	0	0	0	111.5	F380 E385 I388 L408 Q409	F380-V412 HydrophobicContact CD1-CG2 3.76Å; F380-V412 HydrophobicContact CD2-CG1 4.19Å; F380-V412 HydrophobicContact CD2-CG2 4.02Å; F380-V412 HydrophobicContact CE1-CG2 3.65Å; F380-V412 HydrophobicContact CE2-CB 4.46Å; F380-V412 HydrophobicContact CE2-CG2 3.93Å; F380-V412 HydrophobicContact CG-CG1 4.45Å; F380-V412 HydrophobicContact CG-CG2 3.96Å; F380-V412 HydrophobicContact CZ-CG2 3.76Å; E385-V412 HydrophobicContact CG-CG1 4.34Å; I388-V412 HydrophobicContact CD1-CG2 4.34Å; L408-V412 VanDerWaalsContact O-CG2 3.3Å; L408-V412 WeakPolarHBondContact O-CG2 3.39Å; L408-V412 PolarHBondContact O-N 2.71Å; Q409-V412 PolarHBondContact O-N 3.49Å
413	N	98.1	Very high	97.7	Very high	69 Å²	69	21.6 Å²	21.6	37%	0.369	10%	0.102	S	C	.	.	H	α-helix	trans	-72.4	-26.5	179.2	-73.9	-36.4	0	0	0	114	K187 A191 Q409 N410 T411	K187-N413 VanDerWaalsContact CE-O 3.31Å; K187-N413 WeakPolarHBondContact CE-O 3.41Å; A191-N413 HydrophobicContact CB-CB 3.96Å; Q409-N413 PolarHBondContact O-N 2.95Å; Q409-N413 VanDerWaalsContact O-N 3.08Å; Q409-N413 PolarHBondContact O-ND2 3.19Å; N410-N413 PolarHBondContact O-N 3.36Å; T411-N413 VanDerWaalsContact C-N 3.28Å; T411-N413 PolarHBondContact O-N 2.89Å
414	L	98.6	Very high	97.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-80.3	-32.1	176.8	-176	56.9	0	0	0	112	L188 A191 F192 L195 N410 T411 S424 L427 L428	L188-L414 HydrophobicContact CB-CD1 4.19Å; L188-L414 HydrophobicContact CD2-CD1 4.34Å; L188-L414 WeakPolarHBondContact CD2-O 3.35Å; L188-L414 VanDerWaalsContact O-CD1 3.29Å; L188-L414 WeakPolarHBondContact O-CD1 3.46Å; A191-L414 HydrophobicContact CB-CB 3.78Å; A191-L414 HydrophobicContact CB-CD1 4.32Å; F192-L414 HydrophobicContact CB-CD1 4.13Å; F192-L414 HydrophobicContact CB-CD2 4.39Å; F192-L414 HydrophobicContact CD2-CD2 4.5Å; L195-L414 HydrophobicContact CD1-CB 4.44Å; L195-L414 HydrophobicContact CD1-CD2 3.65Å; N410-L414 WeakPolarHBondContact O-CB 3.27Å; N410-L414 PolarHBondContact O-N 3.04Å; T411-L414 PolarHBondContact O-N 2.83Å; L414-S424 PolarHBondContact O-OG 3.33Å; L414-L427 HydrophobicContact CD1-CB 3.83Å; L414-L427 HydrophobicContact CD1-CD1 4.14Å; L414-L427 HydrophobicContact CD2-CB 4.21Å; L414-L427 HydrophobicContact CG-CB 4.41Å; L414-L428 HydrophobicContact CD2-CB 4.1Å; L414-L428 HydrophobicContact CD2-CD1 4.34Å; L414-L428 HydrophobicContact CG-CB 4.47Å
415	I	98.4	Very high	98	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	8%	0.075	C	C	.	.	S	Bend	trans	-74.9	129.9	-179.6	-70.6	161.1	0	0	0	110.3	T377 V378 F380 T411 Q417 S424 L428	T377-I415 VanDerWaalsContact OG1-CG2 3.3Å; T377-I415 WeakPolarHBondContact OG1-CG2 3.24Å; V378-I415 HydrophobicContact CB-CD1 3.99Å; V378-I415 HydrophobicContact CB-CG2 4.08Å; V378-I415 HydrophobicContact CG2-CD1 3.99Å; V378-I415 VanDerWaalsContact O-CG2 3.28Å; V378-I415 WeakPolarHBondContact O-CG2 3.45Å; F380-I415 HydrophobicContact CE2-CD1 3.81Å; F380-I415 HydrophobicContact CZ-CD1 4Å; T411-I415 HydrophobicContact CG2-CD1 3.54Å; T411-I415 HydrophobicContact CG2-CG1 4.42Å; T411-I415 WeakPolarHBondContact O-CD1 3.43Å; T411-I415 VanDerWaalsContact O-CG1 3.28Å; T411-I415 WeakPolarHBondContact O-CG1 3.47Å; T411-I415 PolarHBondContact O-N 2.6Å; I415-Q417 HydrophobicContact CG2-CG 4.16Å; I415-Q417 PolarHBondContact O-N 3.31Å; I415-S424 WeakPolarHBondContact CA-OG 3.47Å; I415-L428 HydrophobicContact CD1-CD2 3.81Å; I415-L428 HydrophobicContact CG1-CD2 3.61Å
416	N	98.1	Very high	98.1	Very high	2 Å²	2	14.4 Å²	14.4	1%	0.011	8%	0.075	C	C	.	.			trans	-81.1	100.1	168.8	-168.3	-10.2	0	0	0	110.5	Y176 T377 T418 V419 D421 S424	Y176-N416 PolarHBondContact OH-OD1 3.12Å; Y176-N416 VanDerWaalsContact OH-OD1 3.11Å; T377-N416 WeakPolarHBondContact CB-O 3.28Å; T377-N416 PolarHBondContact OG1-O 3.47Å; N416-T418 PolarHBondContact O-N 3.06Å; N416-T418 WeakPolarHBondContact OD1-CB 3.47Å; N416-T418 PolarHBondContact OD1-N 2.78Å; N416-T418 VanDerWaalsContact OD1-N 3.11Å; N416-T418 PolarHBondContact OD1-OG1 2.71Å; N416-V419 VanDerWaalsContact O-O 3.1Å; N416-D421 HydrophobicContact CB-CB 3.55Å; N416-D421 PolarHBondContact ND2-OD2 2.83Å; N416-S424 PolarHBondContact N-OG 3.33Å
417	Q	97.4	Very high	98.2	Very high	31 Å²	31	11.2 Å²	11.2	15%	0.145	6%	0.058	C	C	.	.	S	Bend	trans	-76.7	-2.8	-179.2	-58.8	-168.9	65.5	0	0	114.1	Y176 L379 F380 E385 I415	Y176-Q417 PolarHBondContact OH-N 3.36Å; L379-Q417 HydrophobicContact CD2-CB 4.23Å; L379-Q417 VanDerWaalsContact CD2-O 3.23Å; L379-Q417 WeakPolarHBondContact CD2-O 3.47Å; F380-Q417 HydrophobicContact CD2-CG 4.43Å; E385-Q417 PolarHBondContact OE1-NE2 2.91Å; I415-Q417 HydrophobicContact CG2-CG 4.16Å; I415-Q417 PolarHBondContact O-N 3.31Å
418	T	95.3	Very high	98.2	Very high	7 Å²	7	9.8 Å²	9.8	4%	0.043	5%	0.051	C	C	.	.	S	Bend	trans	-83.7	-41.6	-176.8	64.5	0	0	0	0	112.6	G81 H164 C168 Y176 N416	G81-T418 VanDerWaalsContact O-O 3.1Å; H164-T418 WeakPolarHBondContact CB-OG1 3.23Å; C168-T418 HydrophobicContact CB-CG2 3.55Å; Y176-T418 HydrophobicContact CD1-CG2 4.46Å; Y176-T418 HydrophobicContact CE1-CG2 3.67Å; N416-T418 PolarHBondContact O-N 3.06Å; N416-T418 WeakPolarHBondContact OD1-CB 3.47Å; N416-T418 PolarHBondContact OD1-N 2.78Å; N416-T418 VanDerWaalsContact OD1-N 3.11Å; N416-T418 PolarHBondContact OD1-OG1 2.71Å
419	V	96.6	Very high	98.2	Very high	6 Å²	6	9.8 Å²	9.8	4%	0.036	5%	0.051	C	C	.	.	S	Bend	trans	-161.7	163.3	-178.1	66.1	0	0	0	0	108.2	P161 H164 N416 D421	P161-V419 HydrophobicContact CB-CG1 4.14Å; P161-V419 HydrophobicContact CG-CG1 4.46Å; H164-V419 HydrophobicContact CB-CB 4.4Å; H164-V419 HydrophobicContact CB-CG1 3.61Å; N416-V419 VanDerWaalsContact O-O 3.1Å; V419-D421 PolarHBondContact O-N 2.98Å
420	G	97.8	Very high	98.3	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.041	C	C	.	.			trans	-58.8	134.6	171.8	0	0	0	0	0	111.6	P161 G376	P161-G420 WeakPolarHBondContact CG-O 3.39Å; G376-G420 WeakPolarHBondContact O-CA 3.28Å
421	D	98.8	Very high	98.2	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.034	C	C	.	.			trans	-138.7	102.9	-168.5	-178.6	-22.3	0	0	0	110.1	P161 Y184 N416 V419 I423 S424 D425	P161-D421 HydrophobicContact CB-CB 3.57Å; P161-D421 VanDerWaalsContact CB-OD2 3.29Å; P161-D421 WeakPolarHBondContact CB-OD2 3.41Å; P161-D421 HydrophobicContact CG-CB 3.81Å; Y184-D421 VanDerWaalsContact CE2-OD2 3.25Å; Y184-D421 WeakPolarHBondContact CE2-OD2 3.38Å; Y184-D421 VanDerWaalsContact OH-CG 3.23Å; Y184-D421 PolarHBondContact OH-OD1 2.76Å; Y184-D421 PolarHBondContact OH-OD2 2.79Å; N416-D421 HydrophobicContact CB-CB 3.55Å; N416-D421 PolarHBondContact ND2-OD2 2.83Å; V419-D421 PolarHBondContact O-N 2.98Å; D421-I423 PolarHBondContact O-N 3.49Å; D421-I423 VanDerWaalsContact O-N 3.17Å; D421-I423 PolarHBondContact OD1-N 2.83Å; D421-S424 VanDerWaalsContact CG-CB 3.45Å; D421-S424 WeakPolarHBondContact O-CB 3.41Å; D421-S424 PolarHBondContact O-N 3.38Å; D421-S424 VanDerWaalsContact O-N 3.15Å; D421-S424 PolarHBondContact OD1-N 2.87Å; D421-D425 WeakPolarHBondContact O-CB 3.37Å; D421-D425 VanDerWaalsContact O-CG 3.23Å; D421-D425 PolarHBondContact O-N 2.99Å
422	A	98.9	Very high	98.2	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-59.3	-33.2	-173.9	0	0	0	0	0	113.3	Y276 A280 R282 I283 M426	Y276-A422 HydrophobicContact CD1-CB 3.54Å; Y276-A422 HydrophobicContact CE1-CB 3.82Å; Y276-A422 HydrophobicContact CG-CB 4.31Å; A280-A422 HydrophobicContact CB-CB 4.24Å; A280-A422 VanDerWaalsContact O-CB 3.22Å; A280-A422 WeakPolarHBondContact O-CB 3.46Å; A280-A422 PolarHBondContact O-N 2.68Å; R282-A422 VanDerWaalsContact O-CB 3.26Å; R282-A422 WeakPolarHBondContact O-CB 3.26Å; I283-A422 HydrophobicContact CB-CB 3.98Å; A422-M426 VanDerWaalsContact O-CB 3.29Å; A422-M426 WeakPolarHBondContact O-CB 3.29Å; A422-M426 PolarHBondContact O-N 3.49Å
423	I	98.8	Very high	98.1	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-76.3	-43.5	179.7	-63.8	172.7	0	0	0	109.9	T159 K221 V222 M225 Y276 D421 M426 L427	T159-I423 HydrophobicContact CG2-CD1 4.22Å; K221-I423 HydrophobicContact CB-CD1 4.33Å; V222-I423 HydrophobicContact CB-CD1 4.45Å; M225-I423 HydrophobicContact SD-CG2 3.63Å; Y276-I423 HydrophobicContact CE2-CG1 4.2Å; D421-I423 PolarHBondContact O-N 3.49Å; D421-I423 VanDerWaalsContact O-N 3.17Å; D421-I423 PolarHBondContact OD1-N 2.83Å; I423-M426 PolarHBondContact O-N 3.02Å; I423-L427 HydrophobicContact CG2-CD1 4.29Å; I423-L427 VanDerWaalsContact O-CG 3.28Å; I423-L427 WeakPolarHBondContact O-CG 3.35Å; I423-L427 PolarHBondContact O-N 2.87Å; I423-L427 VanDerWaalsContact O-N 3.09Å
424	S	98.9	Very high	98	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-59.7	-46.3	173.6	172.9	0	0	0	0	111.4	L414 I415 N416 D421 L427 L428	L414-S424 PolarHBondContact O-OG 3.33Å; I415-S424 WeakPolarHBondContact CA-OG 3.47Å; N416-S424 PolarHBondContact N-OG 3.33Å; D421-S424 VanDerWaalsContact CG-CB 3.45Å; D421-S424 WeakPolarHBondContact O-CB 3.41Å; D421-S424 PolarHBondContact O-N 3.38Å; D421-S424 VanDerWaalsContact O-N 3.15Å; D421-S424 PolarHBondContact OD1-N 2.87Å; S424-L427 PolarHBondContact O-N 2.76Å; S424-L428 WeakPolarHBondContact O-CB 3.36Å; S424-L428 PolarHBondContact O-N 2.84Å
425	D	98.9	Very high	97.9	Very high	2 Å²	2	5.5 Å²	5.5	1%	0.011	3%	0.029	C	C	.	.	H	α-helix	trans	-64.3	-44.4	178.8	-69.8	-27.5	0	0	0	111.5	I283 D421 L427 L428 I429	I283-D425 HydrophobicContact CG2-CB 3.68Å; D421-D425 WeakPolarHBondContact O-CB 3.37Å; D421-D425 VanDerWaalsContact O-CG 3.23Å; D421-D425 PolarHBondContact O-N 2.99Å; D425-L427 VanDerWaalsContact C-N 3.35Å; D425-L427 PolarHBondContact O-N 2.92Å; D425-L428 PolarHBondContact O-N 3.37Å; D425-I429 WeakPolarHBondContact O-CB 3.09Å; D425-I429 WeakPolarHBondContact O-CD1 3.27Å; D425-I429 WeakPolarHBondContact O-CG1 3.26Å; D425-I429 PolarHBondContact O-N 3.48Å
426	M	98.8	Very high	97.6	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-54	-51.4	173.5	-177.5	-163.7	63.4	0	0	111	L209 V211 V222 L233 L235 Y276 I283 Y285 A422 I423 L428 I429 E430	L209-M426 HydrophobicContact CD2-CG 3.62Å; L209-M426 HydrophobicContact CD2-SD 3.55Å; L209-M426 VanDerWaalsContact CD2-SD 3.55Å; V211-M426 HydrophobicContact CG2-SD 4.15Å; V222-M426 HydrophobicContact CG2-CE 4.14Å; L233-M426 HydrophobicContact CD2-CE 4.08Å; L235-M426 HydrophobicContact CD1-CE 4.29Å; L235-M426 HydrophobicContact CD2-CE 4.31Å; L235-M426 HydrophobicContact CD2-SD 4.13Å; Y276-M426 HydrophobicContact CE1-CB 4.45Å; Y276-M426 PolarHBondContact OH-SD 3.3Å; I283-M426 HydrophobicContact CD1-CB 3.62Å; I283-M426 HydrophobicContact CD1-CG 4.26Å; Y285-M426 WeakPolarHBondContact OH-CG 3.43Å; A422-M426 VanDerWaalsContact O-CB 3.29Å; A422-M426 WeakPolarHBondContact O-CB 3.29Å; A422-M426 PolarHBondContact O-N 3.49Å; I423-M426 PolarHBondContact O-N 3.02Å; M426-L428 VanDerWaalsContact C-N 3.31Å; M426-L428 PolarHBondContact O-N 3.26Å; M426-I429 PolarHBondContact O-N 3.01Å; M426-E430 WeakPolarHBondContact O-CG 3.39Å; M426-E430 PolarHBondContact O-N 3.35Å
427	L	98.8	Very high	97.4	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-63.6	-38.7	-179	-67.6	170.2	0	0	0	111.6	L188 F192 M225 L229 L233 L414 I423 S424 D425 A431	L188-L427 HydrophobicContact CB-CD1 4.1Å; F192-L427 HydrophobicContact CB-CB 4.5Å; F192-L427 HydrophobicContact CD1-CD2 4.32Å; F192-L427 HydrophobicContact CD2-CB 3.9Å; F192-L427 HydrophobicContact CD2-CD2 3.98Å; F192-L427 VanDerWaalsContact CD2-O 3.24Å; F192-L427 WeakPolarHBondContact CD2-O 3.37Å; F192-L427 HydrophobicContact CE2-CD2 4.26Å; F192-L427 WeakPolarHBondContact CE2-O 3.48Å; F192-L427 HydrophobicContact CG-CB 4.4Å; F192-L427 HydrophobicContact CG-CD2 4.01Å; M225-L427 HydrophobicContact CE-CD1 3.39Å; M225-L427 HydrophobicContact SD-CD1 4.22Å; L229-L427 HydrophobicContact CD1-CD2 4.33Å; L229-L427 HydrophobicContact CD2-CD2 3.72Å; L233-L427 HydrophobicContact CD2-CD2 3.87Å; L414-L427 HydrophobicContact CD1-CB 3.83Å; L414-L427 HydrophobicContact CD1-CD1 4.14Å; L414-L427 HydrophobicContact CD2-CB 4.21Å; L414-L427 HydrophobicContact CG-CB 4.41Å; I423-L427 HydrophobicContact CG2-CD1 4.29Å; I423-L427 VanDerWaalsContact O-CG 3.28Å; I423-L427 WeakPolarHBondContact O-CG 3.35Å; I423-L427 PolarHBondContact O-N 2.87Å; I423-L427 VanDerWaalsContact O-N 3.09Å; S424-L427 PolarHBondContact O-N 2.76Å; D425-L427 VanDerWaalsContact C-N 3.35Å; D425-L427 PolarHBondContact O-N 2.92Å; L427-A431 VanDerWaalsContact O-CB 3.25Å; L427-A431 WeakPolarHBondContact O-CB 3.41Å; L427-A431 PolarHBondContact O-N 3Å
428	L	98.8	Very high	97.2	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-65.1	-46.7	176.5	177.4	60.5	0	0	0	111.4	I306 T411 L414 I415 S424 D425 M426 A431 V432	I306-L428 HydrophobicContact CD1-CD2 3.59Å; I306-L428 HydrophobicContact CD1-CG 4.35Å; I306-L428 HydrophobicContact CG1-CD2 3.84Å; I306-L428 HydrophobicContact CG1-CG 4.29Å; I306-L428 HydrophobicContact CG2-CD2 4.11Å; T411-L428 HydrophobicContact CG2-CD1 3.86Å; L414-L428 HydrophobicContact CD2-CB 4.1Å; L414-L428 HydrophobicContact CD2-CD1 4.34Å; L414-L428 HydrophobicContact CG-CB 4.47Å; I415-L428 HydrophobicContact CD1-CD2 3.81Å; I415-L428 HydrophobicContact CG1-CD2 3.61Å; S424-L428 WeakPolarHBondContact O-CB 3.36Å; S424-L428 PolarHBondContact O-N 2.84Å; D425-L428 PolarHBondContact O-N 3.37Å; M426-L428 VanDerWaalsContact C-N 3.31Å; M426-L428 PolarHBondContact O-N 3.26Å; L428-A431 PolarHBondContact O-N 2.74Å; L428-V432 HydrophobicContact CD1-CG2 4.03Å; L428-V432 HydrophobicContact CG-CG2 4.43Å; L428-V432 VanDerWaalsContact O-CG2 3.28Å; L428-V432 WeakPolarHBondContact O-CG2 3.47Å; L428-V432 PolarHBondContact O-N 3.22Å
429	I	98.8	Very high	97.2	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-59.4	-50.9	178.3	-68.1	158.9	0	0	0	109.8	Y285 I302 L305 D425 M426 A431 V432 L433 W443	Y285-I429 HydrophobicContact CD2-CD1 3.93Å; Y285-I429 HydrophobicContact CD2-CG2 4.45Å; Y285-I429 HydrophobicContact CE1-CG2 4.18Å; Y285-I429 HydrophobicContact CE2-CB 4.19Å; Y285-I429 HydrophobicContact CE2-CD1 3.52Å; Y285-I429 HydrophobicContact CE2-CG1 4.46Å; Y285-I429 HydrophobicContact CE2-CG2 3.91Å; I302-I429 HydrophobicContact CB-CD1 4.45Å; I302-I429 HydrophobicContact CD1-CD1 3.96Å; I302-I429 HydrophobicContact CG1-CD1 3.79Å; I302-I429 HydrophobicContact CG2-CD1 3.89Å; I302-I429 HydrophobicContact CG2-CG1 4.26Å; L305-I429 HydrophobicContact CD2-CG1 4.48Å; L305-I429 HydrophobicContact CD2-CG2 4.05Å; D425-I429 WeakPolarHBondContact O-CB 3.09Å; D425-I429 WeakPolarHBondContact O-CD1 3.27Å; D425-I429 WeakPolarHBondContact O-CG1 3.26Å; D425-I429 PolarHBondContact O-N 3.48Å; M426-I429 PolarHBondContact O-N 3.01Å; I429-A431 VanDerWaalsContact C-N 3.3Å; I429-A431 PolarHBondContact O-N 3.35Å; I429-V432 PolarHBondContact O-N 3.07Å; I429-V432 VanDerWaalsContact O-N 3.17Å; I429-L433 HydrophobicContact CG2-CD1 3.99Å; I429-L433 HydrophobicContact CG2-CG 4.31Å; I429-L433 VanDerWaalsContact O-CG 3.32Å; I429-L433 WeakPolarHBondContact O-CG 3.49Å; I429-L433 PolarHBondContact O-N 3.22Å; I429-W443 HydrophobicContact CD1-CH2 4.39Å; I429-W443 HydrophobicContact CG2-CE3 4.35Å; I429-W443 HydrophobicContact CG2-CH2 3.84Å; I429-W443 HydrophobicContact CG2-CZ3 3.64Å
430	E	98.3	Very high	97.2	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.009	8%	0.079	C	C	.	.	H	α-helix	trans	-62.7	-36.2	178.6	-67.7	-58.5	122.1	0	0	112.3	F192 L209 L233 R272 Y285 M426 A434	F192-E430 HydrophobicContact CE2-CB 4.21Å; L209-E430 HydrophobicContact CD2-CG 4Å; L233-E430 HydrophobicContact CD1-CB 4.01Å; L233-E430 HydrophobicContact CD1-CG 3.78Å; L233-E430 HydrophobicContact CD2-CB 4.48Å; L233-E430 HydrophobicContact CD2-CG 4.22Å; R272-E430 IonicContact CZ-OE2 2.86Å; R272-E430 IonicContact NE-OE1 3.44Å; R272-E430 IonicContact NE-OE2 3.59Å; R272-E430 PolarHBondContact NE-OE2 2.91Å; R272-E430 IonicContact NH2-OE2 3.66Å; R272-E430 PolarHBondContact NH2-OE2 3.39Å; Y285-E430 VanDerWaalsContact CE1-OE1 3.28Å; Y285-E430 WeakPolarHBondContact CE1-OE1 3.27Å; Y285-E430 PolarHBondContact OH-OE1 3.14Å; M426-E430 WeakPolarHBondContact O-CG 3.39Å; M426-E430 PolarHBondContact O-N 3.35Å; E430-A434 VanDerWaalsContact O-CB 3.23Å; E430-A434 WeakPolarHBondContact O-CB 3.41Å; E430-A434 PolarHBondContact O-N 2.89Å
431	A	97.9	Very high	97.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-65.1	-44.4	174.1	0	0	0	0	0	111.7	F192 L195 T196 L427 L428 I429 A434 I435	F192-A431 HydrophobicContact CD2-CB 3.94Å; F192-A431 HydrophobicContact CE2-CB 3.98Å; L195-A431 HydrophobicContact CB-CB 4.15Å; L195-A431 HydrophobicContact CD1-CB 4.08Å; T196-A431 HydrophobicContact CG2-CB 4.14Å; L427-A431 VanDerWaalsContact O-CB 3.25Å; L427-A431 WeakPolarHBondContact O-CB 3.41Å; L427-A431 PolarHBondContact O-N 3Å; L428-A431 PolarHBondContact O-N 2.74Å; I429-A431 VanDerWaalsContact C-N 3.3Å; I429-A431 PolarHBondContact O-N 3.35Å; A431-A434 PolarHBondContact O-N 2.93Å; A431-I435 WeakPolarHBondContact O-CB 3.46Å; A431-I435 WeakPolarHBondContact O-CD1 3.42Å; A431-I435 WeakPolarHBondContact O-CG1 3.39Å; A431-I435 PolarHBondContact O-N 3.07Å
432	V	97.9	Very high	97	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65	-45.4	178.7	173.4	0	0	0	0	111	L305 Y309 L428 I429 A434 I435 R436	L305-V432 HydrophobicContact CD1-CG1 3.81Å; L305-V432 HydrophobicContact CD2-CG1 4.3Å; L305-V432 HydrophobicContact CG-CG1 3.9Å; Y309-V432 HydrophobicContact CD1-CG2 3.52Å; Y309-V432 HydrophobicContact CD2-CG1 4.23Å; Y309-V432 HydrophobicContact CD2-CG2 4.23Å; Y309-V432 HydrophobicContact CE1-CG2 3.85Å; Y309-V432 HydrophobicContact CG-CG1 4.03Å; Y309-V432 HydrophobicContact CG-CG2 3.7Å; L428-V432 HydrophobicContact CD1-CG2 4.03Å; L428-V432 HydrophobicContact CG-CG2 4.43Å; L428-V432 VanDerWaalsContact O-CG2 3.28Å; L428-V432 WeakPolarHBondContact O-CG2 3.47Å; L428-V432 PolarHBondContact O-N 3.22Å; I429-V432 PolarHBondContact O-N 3.07Å; I429-V432 VanDerWaalsContact O-N 3.17Å; V432-A434 VanDerWaalsContact C-N 3.32Å; V432-A434 PolarHBondContact O-N 2.79Å; V432-I435 PolarHBondContact O-N 2.99Å; V432-R436 HydrophobicContact CG1-CG 4.37Å; V432-R436 WeakPolarHBondContact O-CB 3.3Å; V432-R436 WeakPolarHBondContact O-CG 3.34Å; V432-R436 PolarHBondContact O-N 3.06Å
433	L	97	Very high	96.9	Very high	6 Å²	6	21.9 Å²	21.9	3%	0.031	12%	0.118	C	C	.	.	H	α-helix	trans	-60.1	-43.5	176.4	-67.8	179.1	0	0	0	111.2	L305 I429 R436 G437 M438 W443	L305-L433 HydrophobicContact CD2-CD2 4.3Å; I429-L433 HydrophobicContact CG2-CD1 3.99Å; I429-L433 HydrophobicContact CG2-CG 4.31Å; I429-L433 VanDerWaalsContact O-CG 3.32Å; I429-L433 WeakPolarHBondContact O-CG 3.49Å; I429-L433 PolarHBondContact O-N 3.22Å; L433-R436 PolarHBondContact O-N 2.92Å; L433-G437 PolarHBondContact O-N 3.05Å; L433-M438 HydrophobicContact CD2-CB 4.07Å; L433-M438 HydrophobicContact CD2-CG 3.98Å; L433-M438 HydrophobicContact CD2-SD 4.29Å; L433-M438 PolarHBondContact O-N 2.86Å; L433-W443 HydrophobicContact CD1-CE3 4.15Å; L433-W443 HydrophobicContact CD2-CB 4.07Å; L433-W443 HydrophobicContact CD2-CD2 4.48Å; L433-W443 HydrophobicContact CD2-CE3 4.23Å; L433-W443 HydrophobicContact CD2-CG 4.42Å
434	A	95.8	Very high	96.9	Very high	8 Å²	8	23.1 Å²	23.1	7%	0.066	12%	0.124	C	C	.	.	H	α-helix	trans	-62.6	-50.1	176.2	0	0	0	0	0	112.2	V199 E430 A431 V432 R436 G437	V199-A434 HydrophobicContact CG1-CB 4.47Å; V199-A434 WeakPolarHBondContact CG1-O 3.32Å; V199-A434 HydrophobicContact CG2-CB 4.48Å; E430-A434 VanDerWaalsContact O-CB 3.23Å; E430-A434 WeakPolarHBondContact O-CB 3.41Å; E430-A434 PolarHBondContact O-N 2.89Å; A431-A434 PolarHBondContact O-N 2.93Å; V432-A434 VanDerWaalsContact C-N 3.32Å; V432-A434 PolarHBondContact O-N 2.79Å; A434-R436 VanDerWaalsContact C-N 3.28Å; A434-R436 PolarHBondContact O-N 3.34Å; A434-G437 PolarHBondContact O-N 3.36Å; A434-G437 VanDerWaalsContact O-N 3.1Å
435	I	94.9	Very high	96.8	Very high	51 Å²	51	26.7 Å²	26.7	26%	0.262	15%	0.154	S	C	.	.	H	α-helix	trans	-60.2	-39.4	-179.4	-71.3	165	0	0	0	111.4	L195 V199 Y309 L407 A431 V432 G437	L195-I435 HydrophobicContact CB-CD1 4.18Å; L195-I435 HydrophobicContact CD2-CD1 4.31Å; V199-I435 HydrophobicContact CG2-CG1 3.88Å; Y309-I435 HydrophobicContact CE2-CD1 4.29Å; Y309-I435 HydrophobicContact CE2-CG2 4.2Å; Y309-I435 WeakPolarHBondContact OH-CD1 3.3Å; L407-I435 HydrophobicContact CD2-CD1 4.42Å; A431-I435 WeakPolarHBondContact O-CB 3.46Å; A431-I435 WeakPolarHBondContact O-CD1 3.42Å; A431-I435 WeakPolarHBondContact O-CG1 3.39Å; A431-I435 PolarHBondContact O-N 3.07Å; V432-I435 PolarHBondContact O-N 2.99Å; I435-G437 VanDerWaalsContact C-N 3.32Å
436	R	93.4	Very high	96.8	Very high	77 Å²	77	28.1 Å²	28.1	29%	0.291	16%	0.161	S	C	.	.	H	α-helix	trans	-83.4	-6.8	-180	-62.7	-177	89.2	-151.4	7.4	113.4	E312 V432 L433 A434 M438	E312-R436 IonicContact OE1-CZ 3.97Å; E312-R436 IonicContact OE1-NH2 3.84Å; E312-R436 PolarHBondContact OE1-NH2 3.31Å; E312-R436 IonicContact OE2-NE 3.83Å; E312-R436 IonicContact OE2-NH2 2.93Å; V432-R436 HydrophobicContact CG1-CG 4.37Å; V432-R436 WeakPolarHBondContact O-CB 3.3Å; V432-R436 WeakPolarHBondContact O-CG 3.34Å; V432-R436 PolarHBondContact O-N 3.06Å; L433-R436 PolarHBondContact O-N 2.92Å; A434-R436 VanDerWaalsContact C-N 3.28Å; A434-R436 PolarHBondContact O-N 3.34Å; R436-M438 HydrophobicContact CB-CB 3.94Å; R436-M438 PolarHBondContact O-N 3.13Å
437	G	93.1	Very high	96.7	Very high	42 Å²	42	28.9 Å²	28.9	43%	0.433	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	32.1	-171	0	0	0	0	0	112.4	L433 A434 I435	L433-G437 PolarHBondContact O-N 3.05Å; A434-G437 PolarHBondContact O-N 3.36Å; A434-G437 VanDerWaalsContact O-N 3.1Å; I435-G437 VanDerWaalsContact C-N 3.32Å
438	M	93.9	Very high	96.6	Very high	33 Å²	33	34.4 Å²	34.4	16%	0.163	20%	0.198	C	C	.	.			trans	-96.2	131.7	-169	179.7	170	-76.1	0	0	110.9	L305 L433 R436 Q442 W443 I446	L305-M438 HydrophobicContact CD1-SD 4.31Å; L433-M438 HydrophobicContact CD2-CB 4.07Å; L433-M438 HydrophobicContact CD2-CG 3.98Å; L433-M438 HydrophobicContact CD2-SD 4.29Å; L433-M438 PolarHBondContact O-N 2.86Å; R436-M438 HydrophobicContact CB-CB 3.94Å; R436-M438 PolarHBondContact O-N 3.13Å; M438-Q442 HydrophobicContact CG-CB 3.68Å; M438-Q442 HydrophobicContact SD-CB 4.49Å; M438-W443 HydrophobicContact CG-CB 4.39Å; M438-W443 HydrophobicContact SD-CB 3.98Å; M438-I446 HydrophobicContact SD-CD1 4.49Å
439	T	94.9	Very high	96.6	Very high	62 Å²	62	36.4 Å²	36.4	38%	0.38	21%	0.209	S	C	.	.			trans	-80.6	162.5	170.9	80.1	0	0	0	0	111.3	Q441 Q442 W443	T439-Q441 PolarHBondContact O-N 3.29Å; T439-Q441 PolarHBondContact OG1-N 3.46Å; T439-Q441 PolarHBondContact OG1-OE1 3.07Å; T439-Q442 WeakPolarHBondContact O-CB 3.38Å; T439-Q442 PolarHBondContact O-N 2.94Å; T439-Q442 VanDerWaalsContact O-N 3.11Å; T439-Q442 PolarHBondContact OG1-N 3.39Å; T439-W443 PolarHBondContact O-N 2.81Å
440	V	95.9	Very high	96.5	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.006	21%	0.211	C	C	.	.	H	α-helix	trans	-62.2	-31.4	176.6	65	0	0	0	0	112.8	R272 Y287 L297 W443 D444	R272-V440 HydrophobicContact CG-CB 3.83Å; R272-V440 HydrophobicContact CG-CG1 3.94Å; Y287-V440 HydrophobicContact CD1-CB 4.34Å; Y287-V440 HydrophobicContact CD1-CG1 3.85Å; Y287-V440 HydrophobicContact CD1-CG2 3.62Å; Y287-V440 HydrophobicContact CD2-CG1 4.34Å; Y287-V440 HydrophobicContact CE1-CG1 4.46Å; Y287-V440 HydrophobicContact CE1-CG2 4.25Å; Y287-V440 HydrophobicContact CG-CG1 3.77Å; Y287-V440 HydrophobicContact CG-CG2 4.28Å; L297-V440 HydrophobicContact CD1-CG2 3.81Å; L297-V440 HydrophobicContact CD2-CG2 4.04Å; V440-W443 HydrophobicContact CG2-CE3 4.3Å; V440-W443 PolarHBondContact O-N 3.2Å; V440-D444 PolarHBondContact O-N 3.39Å
441	Q	96.1	Very high	96.4	Very high	71 Å²	71	38.6 Å²	38.6	33%	0.332	22%	0.223	S	C	.	.	H	α-helix	trans	-69.1	-38.2	175.1	-56.1	84.5	-10.8	0	0	111.5	Y287 T439 W443 D444 A445	Y287-Q441 HydrophobicContact CD2-CG 4.26Å; Y287-Q441 HydrophobicContact CE2-CG 3.63Å; T439-Q441 PolarHBondContact O-N 3.29Å; T439-Q441 PolarHBondContact OG1-N 3.46Å; T439-Q441 PolarHBondContact OG1-OE1 3.07Å; Q441-W443 VanDerWaalsContact C-N 3.34Å; Q441-D444 PolarHBondContact O-N 2.95Å; Q441-A445 VanDerWaalsContact O-CB 3.26Å; Q441-A445 WeakPolarHBondContact O-CB 3.29Å; Q441-A445 PolarHBondContact O-N 2.87Å
442	Q	96.9	Very high	96.3	Very high	104 Å²	104	39.5 Å²	39.5	49%	0.486	23%	0.228	S	C	.	.	H	α-helix	trans	-68.7	-35.3	174.7	-72	173.4	-32.7	0	0	111.4	M438 T439 A445	M438-Q442 HydrophobicContact CG-CB 3.68Å; M438-Q442 HydrophobicContact SD-CB 4.49Å; T439-Q442 WeakPolarHBondContact O-CB 3.38Å; T439-Q442 PolarHBondContact O-N 2.94Å; T439-Q442 VanDerWaalsContact O-N 3.11Å; T439-Q442 PolarHBondContact OG1-N 3.39Å; Q442-A445 PolarHBondContact O-N 2.74Å
443	W	97.9	Very high	96.1	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.8	-47.8	170	174.7	20.3	0	0	0	111.2	Y285 L297 K301 I302 L305 I429 L433 M438 T439 V440 Q441 A445 I446	Y285-W443 HydrophobicContact CD1-CH2 4.39Å; Y285-W443 AromaticContact CD1-CZ3 3.77Å; Y285-W443 HydrophobicContact CD1-CZ3 3.77Å; Y285-W443 AromaticContact CD2-CH2 3.96Å; Y285-W443 HydrophobicContact CD2-CH2 3.96Å; Y285-W443 HydrophobicContact CD2-CZ3 4.16Å; Y285-W443 HydrophobicContact CE1-CZ3 4.4Å; Y285-W443 AromaticContact CG-CH2 3.77Å; Y285-W443 HydrophobicContact CG-CH2 3.77Å; Y285-W443 AromaticContact CG-CZ3 3.61Å; Y285-W443 HydrophobicContact CG-CZ3 3.61Å; L297-W443 HydrophobicContact CB-CH2 4.04Å; L297-W443 HydrophobicContact CB-CZ2 4.1Å; L297-W443 HydrophobicContact CB-CZ3 4.34Å; L297-W443 HydrophobicContact CD2-CB 4.22Å; L297-W443 HydrophobicContact CD2-CD2 3.28Å; L297-W443 HydrophobicContact CD2-CE3 3.45Å; L297-W443 VanDerWaalsContact CD2-CE3 3.45Å; L297-W443 HydrophobicContact CD2-CG 3.68Å; L297-W443 HydrophobicContact CD2-CH2 4.2Å; L297-W443 HydrophobicContact CD2-CZ2 4.08Å; L297-W443 HydrophobicContact CD2-CZ3 3.9Å; K301-W443 HydrophobicContact CB-CZ2 4.06Å; K301-W443 PolarHBondContact O-NE1 3.23Å; I302-W443 HydrophobicContact CG1-CH2 4.06Å; I302-W443 HydrophobicContact CG1-CZ2 3.91Å; L305-W443 HydrophobicContact CD1-CG 4.38Å; L305-W443 HydrophobicContact CD2-CD2 3.93Å; L305-W443 HydrophobicContact CD2-CE3 4.36Å; L305-W443 HydrophobicContact CD2-CG 4.32Å; L305-W443 HydrophobicContact CD2-CZ2 4.07Å; I429-W443 HydrophobicContact CD1-CH2 4.39Å; I429-W443 HydrophobicContact CG2-CE3 4.35Å; I429-W443 HydrophobicContact CG2-CH2 3.84Å; I429-W443 HydrophobicContact CG2-CZ3 3.64Å; L433-W443 HydrophobicContact CD1-CE3 4.15Å; L433-W443 HydrophobicContact CD2-CB 4.07Å; L433-W443 HydrophobicContact CD2-CD2 4.48Å; L433-W443 HydrophobicContact CD2-CE3 4.23Å; L433-W443 HydrophobicContact CD2-CG 4.42Å; M438-W443 HydrophobicContact CG-CB 4.39Å; M438-W443 HydrophobicContact SD-CB 3.98Å; T439-W443 PolarHBondContact O-N 2.81Å; V440-W443 HydrophobicContact CG2-CE3 4.3Å; V440-W443 PolarHBondContact O-N 3.2Å; Q441-W443 VanDerWaalsContact C-N 3.34Å; W443-A445 PolarHBondContact O-N 3.01Å; W443-I446 WeakPolarHBondContact O-CB 3.28Å; W443-I446 VanDerWaalsContact O-CG1 3.24Å; W443-I446 WeakPolarHBondContact O-CG1 2.94Å; W443-I446 PolarHBondContact O-N 3.41Å; W443-I446 VanDerWaalsContact O-N 3.17Å
444	D	97.9	Very high	95.9	Very high	26 Å²	26	45.6 Å²	45.6	14%	0.139	25%	0.253	C	S	.	.	H	α-helix	trans	-59.2	-37.4	176.1	-170.2	22.9	0	0	0	111.4	Y287 H295 L297 K301 V440 Q441 I446	Y287-D444 HydrophobicContact CE1-CB 3.93Å; Y287-D444 PolarHBondContact OH-OD2 2.99Å; H295-D444 IonicContact CE1-OD2 3.58Å; H295-D444 IonicContact CG-OD2 3.79Å; H295-D444 IonicContact ND1-OD2 3.49Å; H295-D444 PolarHBondContact ND1-OD2 3.27Å; L297-D444 HydrophobicContact CD2-CB 4.06Å; L297-D444 HydrophobicContact CG-CB 4.42Å; K301-D444 PolarHBondContact NZ-O 2.6Å; K301-D444 IonicContact NZ-OD1 3.68Å; K301-D444 PolarHBondContact NZ-OD1 3.21Å; V440-D444 PolarHBondContact O-N 3.39Å; Q441-D444 PolarHBondContact O-N 2.95Å; D444-I446 PolarHBondContact O-N 3.35Å
445	A	97.3	Very high	95.7	Very high	75 Å²	75	47 Å²	47	62%	0.62	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-3	-179.5	0	0	0	0	0	115.5	Q441 Q442 W443 Y447	Q441-A445 VanDerWaalsContact O-CB 3.26Å; Q441-A445 WeakPolarHBondContact O-CB 3.29Å; Q441-A445 PolarHBondContact O-N 2.87Å; Q442-A445 PolarHBondContact O-N 2.74Å; W443-A445 PolarHBondContact O-N 3.01Å; A445-Y447 PolarHBondContact O-N 3.47Å
446	I	97.6	Very high	95.6	Very high	32 Å²	32	51.4 Å²	51.4	16%	0.164	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-40.4	176.4	-68.7	179.9	0	0	0	111	L305 Y338 M438 W443 D444	L305-I446 HydrophobicContact CD1-CD1 4.33Å; Y338-I446 HydrophobicContact CD1-CG2 4.24Å; Y338-I446 HydrophobicContact CD2-CG2 4.37Å; Y338-I446 HydrophobicContact CE1-CG2 3.56Å; Y338-I446 HydrophobicContact CE2-CG2 3.72Å; Y338-I446 WeakPolarHBondContact CE2-O 3.4Å; Y338-I446 WeakPolarHBondContact OH-CG2 3.46Å; M438-I446 HydrophobicContact SD-CD1 4.49Å; W443-I446 WeakPolarHBondContact O-CB 3.28Å; W443-I446 VanDerWaalsContact O-CG1 3.24Å; W443-I446 WeakPolarHBondContact O-CG1 2.94Å; W443-I446 PolarHBondContact O-N 3.41Å; W443-I446 VanDerWaalsContact O-N 3.17Å; D444-I446 PolarHBondContact O-N 3.35Å
447	Y	97.9	Very high	95.6	Very high	16 Å²	16	47.9 Å²	47.9	6%	0.063	26%	0.263	C	S	.	.	S	Bend	trans	-156.8	158.4	169.5	67.8	-89.4	0	0	0	109.8	K301 T304 S335 Y338 A445 D449	K301-Y447 HydrophobicContact CD-CE1 3.78Å; K301-Y447 HydrophobicContact CD-CE2 4.35Å; K301-Y447 WeakPolarHBondContact CD-OH 3.31Å; K301-Y447 WeakPolarHBondContact CG-OH 3.44Å; K301-Y447 PolarHBondContact N-OH 3.06Å; K301-Y447 PolarHBondContact NZ-O 3.04Å; T304-Y447 HydrophobicContact CG2-CD1 4.4Å; T304-Y447 HydrophobicContact CG2-CE1 3.73Å; T304-Y447 WeakPolarHBondContact OG1-CE1 3.25Å; S335-Y447 WeakPolarHBondContact CB-OH 3.33Å; Y338-Y447 HydrophobicContact CD1-CD1 4.22Å; Y338-Y447 HydrophobicContact CG-CD1 4.1Å; Y338-Y447 HydrophobicContact CG-CG 4.37Å; A445-Y447 PolarHBondContact O-N 3.47Å; Y447-D449 VanDerWaalsContact CE2-OD1 3.27Å; Y447-D449 WeakPolarHBondContact CE2-OD1 3.4Å
448	T	97.2	Very high	95.7	Very high	117 Å²	117	52.2 Å²	52.2	72%	0.718	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-101.7	122.2	177.9	-51.4	0	0	0	0	110.7	S334	S334-T448 WeakPolarHBondContact CB-O 3.36Å; S334-T448 PolarHBondContact OG-O 3.29Å
449	D	97	Very high	95.6	Very high	41 Å²	41	50.9 Å²	50.9	22%	0.219	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-58.8	144	173.4	-76.8	-47.5	0	0	0	111.7	K301 N332 Y447	K301-D449 WeakPolarHBondContact CE-OD2 3.26Å; N332-D449 WeakPolarHBondContact CB-OD1 3.41Å; N332-D449 PolarHBondContact OD1-OD1 2.89Å; Y447-D449 VanDerWaalsContact CE2-OD1 3.27Å; Y447-D449 WeakPolarHBondContact CE2-OD1 3.4Å
450	L	97.4	Very high	95.4	Very high	11 Å²	11	51.4 Å²	51.4	6%	0.058	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-64.8	138	160.9	-70.5	174.1	0	0	0	109.3	N332 S334 N452 R493 E512	N332-L450 PolarHBondContact ND2-N 3.48Å; N332-L450 PolarHBondContact ND2-O 3.38Å; N332-L450 PolarHBondContact OD1-N 3.28Å; S334-L450 PolarHBondContact OG-N 3.02Å; L450-N452 PolarHBondContact O-N 3.14Å; L450-N452 PolarHBondContact O-ND2 3.19Å; L450-R493 HydrophobicContact CD1-CB 4.4Å; L450-R493 WeakPolarHBondContact CD1-O 3.49Å; L450-R493 HydrophobicContact CD2-CB 4.17Å; L450-E512 HydrophobicContact CB-CB 4.16Å; L450-E512 HydrophobicContact CD1-CG 4.16Å
451	P	95.8	Very high	95	Very high	38 Å²	38	53.6 Å²	53.6	25%	0.247	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-47.5	130.4	163.3	-28.6	34.2	0	0	0	110.8	E512 A513 Q516 A519	P451-E512 VanDerWaalsContact O-CA 3.25Å; P451-E512 WeakPolarHBondContact O-CA 3.23Å; P451-A513 VanDerWaalsContact CD-O 3.28Å; P451-A513 WeakPolarHBondContact CD-O 3.43Å; P451-A513 PolarHBondContact O-N 3.19Å; P451-Q516 HydrophobicContact CB-CB 4.22Å; P451-A519 HydrophobicContact CB-CB 4.32Å; P451-A519 WeakPolarHBondContact O-CB 3.41Å
452	N	95.3	Very high	94.4	Very high	19 Å²	19	52.8 Å²	52.8	10%	0.102	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	156.7	-173	66.2	88.3	0	0	0	111.9	Q259 N332 L450 Y510 A511 E512	Q259-N452 PolarHBondContact NE2-OD1 3.08Å; N332-N452 PolarHBondContact ND2-ND2 2.88Å; L450-N452 PolarHBondContact O-N 3.14Å; L450-N452 PolarHBondContact O-ND2 3.19Å; N452-Y510 HydrophobicContact CB-CE2 4.27Å; N452-A511 CarbonylContact C-O 3.59Å; N452-A511 WeakPolarHBondContact CA-O 3.4Å; N452-A511 WeakPolarHBondContact CB-O 3.37Å; N452-E512 HydrophobicContact CB-CB 3.95Å
453	R	93.8	Very high	93.9	Very high	74 Å²	74	56.3 Å²	56.3	28%	0.279	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	137.3	179.2	-175.7	65	64.1	-174.1	4.3	110.6	L455 A511 D520 A523 L544	R453-L455 HydrophobicContact CG-CD2 4.16Å; R453-L455 HydrophobicContact CG-CG 4.05Å; R453-A511 PolarHBondContact N-O 3.09Å; R453-A511 PolarHBondContact O-N 3.01Å; R453-D520 IonicContact CZ-OD1 3.35Å; R453-D520 VanDerWaalsContact CZ-OD1 3.27Å; R453-D520 IonicContact CZ-OD2 2.76Å; R453-D520 IonicContact NE-OD1 3.6Å; R453-D520 PolarHBondContact NE-OD1 3.26Å; R453-D520 IonicContact NH2-OD1 3.82Å; R453-D520 PolarHBondContact NH2-OD1 3.21Å; R453-D520 IonicContact NH2-OD2 2.82Å; R453-D520 PolarHBondContact NH2-OD2 3.23Å; R453-A523 HydrophobicContact CB-CB 3.88Å; R453-A523 HydrophobicContact CG-CB 3.81Å; R453-L544 HydrophobicContact CG-CD1 3.66Å
454	Q	92.7	Very high	93.6	Very high	60 Å²	60	59.1 Å²	59.1	28%	0.28	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	126.8	170.7	-172.4	175.3	-5	0	0	110	V509	Q454-V509 CarbonylContact C-O 3.57Å; Q454-V509 WeakPolarHBondContact CA-O 3.22Å
455	L	92.3	Very high	93.4	Very high	37 Å²	37	58 Å²	58	19%	0.194	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	162.8	177.2	-63.5	-179.7	0	0	0	111.1	R453 V509 A523 S527 L544	R453-L455 HydrophobicContact CG-CD2 4.16Å; R453-L455 HydrophobicContact CG-CG 4.05Å; L455-V509 HydrophobicContact CB-CB 4.43Å; L455-V509 PolarHBondContact N-O 2.78Å; L455-V509 PolarHBondContact O-N 3.49Å; L455-A523 HydrophobicContact CD1-CB 3.9Å; L455-A523 HydrophobicContact CG-CB 4.29Å; L455-S527 WeakPolarHBondContact CD1-OG 3.22Å; L455-L544 HydrophobicContact CD1-CD1 4.03Å; L455-L544 HydrophobicContact CD2-CD1 4.11Å; L455-L544 HydrophobicContact CD2-CD2 4.2Å; L455-L544 HydrophobicContact CG-CD1 4.43Å
456	K	92.9	Very high	93.2	Very high	143 Å²	143	58.9 Å²	58.9	62%	0.622	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.5	133.2	172.4	64.1	-176.2	-179.1	-177.8	0	110	V507	K456-V507 WeakPolarHBondContact CA-O 3.32Å
457	V	94.6	Very high	93.1	Very high	4 Å²	4	58.9 Å²	58.9	2%	0.024	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123.7	174.4	-177.4	0	0	0	0	108.1	V459 V506 V507 V509 V530 Y531 P541	V457-V459 HydrophobicContact CG1-CG1 4.45Å; V457-V506 CarbonylContact O-C 3.59Å; V457-V506 VanDerWaalsContact O-CA 3.26Å; V457-V506 WeakPolarHBondContact O-CA 3.34Å; V457-V506 WeakPolarHBondContact O-CB 3.28Å; V457-V507 PolarHBondContact N-O 3.13Å; V457-V507 PolarHBondContact O-N 2.95Å; V457-V509 HydrophobicContact CG2-CG2 3.91Å; V457-V530 HydrophobicContact CB-CG1 3.99Å; V457-V530 HydrophobicContact CG1-CB 4.44Å; V457-V530 HydrophobicContact CG1-CG1 3.93Å; V457-V530 HydrophobicContact CG2-CB 4.37Å; V457-V530 HydrophobicContact CG2-CG1 4.32Å; V457-Y531 HydrophobicContact CG1-CD2 4.17Å; V457-P541 HydrophobicContact CG2-CG 4.33Å
458	K	93.8	Very high	93	Very high	133 Å²	133	61.6 Å²	61.6	58%	0.578	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	134.3	173.5	-70.7	-177.9	177.5	-176.6	0	109.3	V506 G536 V537	K458-V506 HydrophobicContact CG-CG1 4.09Å; K458-G536 VanDerWaalsContact O-CA 3.31Å; K458-G536 WeakPolarHBondContact O-CA 3.42Å; K458-V537 HydrophobicContact CB-CG2 4.05Å; K458-V537 WeakPolarHBondContact CB-O 3.45Å; K458-V537 PolarHBondContact O-N 3.39Å
459	V	92.6	Very high	92.9	Very high	5 Å²	5	59.5 Å²	59.5	3%	0.03	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-130.5	153.6	179.8	-66.6	0	0	0	0	109.8	V457 D461 R462 D505 V507 V530 G535	V457-V459 HydrophobicContact CG1-CG1 4.45Å; V459-D461 VanDerWaalsContact C-N 3.31Å; V459-R462 HydrophobicContact CG2-CB 4.05Å; V459-D505 PolarHBondContact N-O 2.87Å; V459-V507 HydrophobicContact CB-CG2 4.45Å; V459-V507 HydrophobicContact CG1-CG2 3.73Å; V459-V507 HydrophobicContact CG2-CG2 3.85Å; V459-V530 HydrophobicContact CG1-CG1 4.45Å; V459-G535 WeakPolarHBondContact CA-O 3.33Å
460	A	90.3	Very high	92.8	Very high	72 Å²	72	58.3 Å²	58.3	60%	0.595	29%	0.294	S	S	*	.	S	Bend	trans	-65.3	-37.9	177.9	0	0	0	0	0	112	G535 V537	A460-G535 PolarHBondContact N-O 3.02Å; A460-V537 HydrophobicContact CB-CG1 3.73Å
461	D	86.8	Confident	92.7	Very high	47 Å²	47	58.5 Å²	58.5	25%	0.251	30%	0.295	S	S	.	.			trans	-145.8	116.4	176	-174.7	-10.2	0	0	0	109	V459 R463 V464	V459-D461 VanDerWaalsContact C-N 3.31Å; D461-R463 PolarHBondContact O-N 3.08Å; D461-R463 VanDerWaalsContact OD1-CB 3.23Å; D461-R463 WeakPolarHBondContact OD1-CB 3.46Å; D461-R463 WeakPolarHBondContact OD1-CG 3.29Å; D461-R463 IonicContact OD1-CZ 2.66Å; D461-R463 PolarHBondContact OD1-N 3.09Å; D461-R463 IonicContact OD1-NE 3.9Å; D461-R463 PolarHBondContact OD1-NE 3.08Å; D461-R463 IonicContact OD1-NH2 2.84Å; D461-R463 IonicContact OD2-CZ 2.8Å; D461-R463 IonicContact OD2-NE 3.4Å; D461-R463 PolarHBondContact OD2-NE 2.95Å; D461-R463 IonicContact OD2-NH2 2.67Å; D461-R463 PolarHBondContact OD2-NH2 3.22Å; D461-V464 HydrophobicContact CB-CG1 4.18Å; D461-V464 WeakPolarHBondContact O-CG1 3.35Å; D461-V464 WeakPolarHBondContact O-CG2 3.26Å
462	R	85	Confident	92.7	Very high	54 Å²	54	61.3 Å²	61.3	20%	0.204	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-68	-20.1	179	67.9	-176.9	174	100	6.1	113.7	V459 V464 I465 P500 S501 E504 D505	V459-R462 HydrophobicContact CG2-CB 4.05Å; R462-V464 PolarHBondContact O-N 3.32Å; R462-I465 PolarHBondContact O-N 3.19Å; R462-P500 HydrophobicContact CB-CB 4.07Å; R462-P500 HydrophobicContact CG-CB 4.45Å; R462-S501 VanDerWaalsContact CD-O 3.32Å; R462-S501 WeakPolarHBondContact CD-O 3.32Å; R462-S501 PolarHBondContact NH1-O 2.95Å; R462-E504 WeakPolarHBondContact CD-O 3.43Å; R462-D505 WeakPolarHBondContact CD-OD1 3.31Å; R462-D505 WeakPolarHBondContact CG-OD1 3.46Å; R462-D505 IonicContact NE-OD1 3.89Å; R462-D505 PolarHBondContact NE-OD1 3.12Å
463	R	86.7	Confident	92.9	Very high	179 Å²	179	65 Å²	65	68%	0.675	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-73.3	-7	-177	-59.5	169.1	-66.4	-173.1	4	113	D461 I465	D461-R463 PolarHBondContact O-N 3.08Å; D461-R463 VanDerWaalsContact OD1-CB 3.23Å; D461-R463 WeakPolarHBondContact OD1-CB 3.46Å; D461-R463 WeakPolarHBondContact OD1-CG 3.29Å; D461-R463 IonicContact OD1-CZ 2.66Å; D461-R463 PolarHBondContact OD1-N 3.09Å; D461-R463 IonicContact OD1-NE 3.9Å; D461-R463 PolarHBondContact OD1-NE 3.08Å; D461-R463 IonicContact OD1-NH2 2.84Å; D461-R463 IonicContact OD2-CZ 2.8Å; D461-R463 IonicContact OD2-NE 3.4Å; D461-R463 PolarHBondContact OD2-NE 2.95Å; D461-R463 IonicContact OD2-NH2 2.67Å; D461-R463 PolarHBondContact OD2-NH2 3.22Å; R463-I465 PolarHBondContact O-N 3.26Å
464	V	90.3	Very high	93	Very high	58 Å²	58	62 Å²	62	35%	0.352	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-70	-14.4	172.2	-54.8	0	0	0	0	112.8	D461 R462 S476 P477 A534	D461-V464 HydrophobicContact CB-CG1 4.18Å; D461-V464 WeakPolarHBondContact O-CG1 3.35Å; D461-V464 WeakPolarHBondContact O-CG2 3.26Å; R462-V464 PolarHBondContact O-N 3.32Å; V464-S476 CarbonylContact O-C 3.51Å; V464-S476 PolarHBondContact O-OG 3.02Å; V464-P477 WeakPolarHBondContact O-CD 3.36Å; V464-A534 HydrophobicContact CG2-CB 3.96Å
465	I	93.3	Very high	93.2	Very high	2 Å²	2	63.7 Å²	63.7	1%	0.01	32%	0.317	C	S	.	.			trans	-105.9	111.4	176.5	-56.5	-170.3	0	0	0	110.2	R462 R463 T467 T474 S476 L480 V507 V530 A534	R462-I465 PolarHBondContact O-N 3.19Å; R463-I465 PolarHBondContact O-N 3.26Å; I465-T467 HydrophobicContact CG2-CG2 4.12Å; I465-T474 HydrophobicContact CG2-CG2 3.97Å; I465-S476 WeakPolarHBondContact CA-O 3.45Å; I465-L480 HydrophobicContact CD1-CD2 4.05Å; I465-L480 HydrophobicContact CG1-CD2 4.48Å; I465-V507 HydrophobicContact CD1-CB 4.14Å; I465-V507 HydrophobicContact CD1-CG1 3.6Å; I465-V507 HydrophobicContact CD1-CG2 3.43Å; I465-V507 VanDerWaalsContact CD1-CG2 3.43Å; I465-V507 HydrophobicContact CG1-CG2 4.36Å; I465-V530 HydrophobicContact CD1-CG1 4.33Å; I465-A534 HydrophobicContact CD1-CB 3.78Å; I465-A534 HydrophobicContact CG1-CB 3.9Å
466	D	93.6	Very high	93.3	Very high	95 Å²	95	63.1 Å²	63.1	51%	0.508	32%	0.316	S	S	.	.			trans	-102.1	148.8	164.7	-61.9	-56.1	0	0	0	110.6	T474 V475 S476	D466-T474 CarbonylContact O-C 3.59Å; D466-T474 WeakPolarHBondContact O-CA 3.44Å; D466-V475 HydrophobicContact CB-CB 4.37Å; D466-V475 PolarHBondContact O-N 3.07Å; D466-S476 WeakPolarHBondContact CB-OG 3.4Å; D466-S476 PolarHBondContact N-O 3.44Å; D466-S476 PolarHBondContact N-OG 3.25Å; D466-S476 PolarHBondContact O-N 3.39Å; D466-S476 PolarHBondContact OD2-OG 3.02Å
467	T	95.8	Very high	93.4	Very high	31 Å²	31	57.7 Å²	57.7	19%	0.19	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	158.7	-177.8	66.7	0	0	0	0	112.5	I465 E471 R473 T474 R499	I465-T467 HydrophobicContact CG2-CG2 4.12Å; T467-E471 WeakPolarHBondContact OG1-CG 3.33Å; T467-R473 CarbonylContact C-O 3.54Å; T467-R473 WeakPolarHBondContact CA-O 3.22Å; T467-R473 VanDerWaalsContact CB-O 3.3Å; T467-R473 WeakPolarHBondContact CB-O 3.19Å; T467-T474 HydrophobicContact CG2-CG2 4.43Å; T467-R499 HydrophobicContact CG2-CB 4.33Å
468	T	96	Very high	93.5	Very high	73 Å²	73	62 Å²	62	45%	0.448	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	178.1	175.1	-168.2	0	0	0	0	110	E471 R472 R473 V475	T468-E471 CarbonylContact O-C 3.5Å; T468-E471 WeakPolarHBondContact O-CA 3.41Å; T468-E471 PolarHBondContact O-N 2.84Å; T468-E471 VanDerWaalsContact O-N 3.1Å; T468-R472 PolarHBondContact O-N 2.9Å; T468-R473 HydrophobicContact CG2-CB 3.96Å; T468-R473 PolarHBondContact N-O 2.77Å; T468-R473 PolarHBondContact O-N 3.22Å; T468-V475 HydrophobicContact CG2-CG2 3.68Å
469	D	95.4	Very high	93.6	Very high	74 Å²	74	57.3 Å²	57.3	40%	0.396	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	61	175.2	-175.9	35.7	0	0	0	113.4	E471 R472 R473	D469-E471 PolarHBondContact O-N 2.8Å; D469-R472 VanDerWaalsContact CG-NH2 3.29Å; D469-R472 WeakPolarHBondContact O-CB 3.49Å; D469-R472 VanDerWaalsContact O-CG 3.3Å; D469-R472 WeakPolarHBondContact O-CG 3.22Å; D469-R472 PolarHBondContact O-N 3.46Å; D469-R472 PolarHBondContact O-NE 3.45Å; D469-R472 VanDerWaalsContact O-NE 3.1Å; D469-R472 IonicContact OD1-CZ 3.95Å; D469-R472 IonicContact OD1-NE 2.9Å; D469-R472 IonicContact OD1-NH2 3.62Å; D469-R472 PolarHBondContact OD1-NH2 2.9Å; D469-R472 IonicContact OD2-CZ 3.43Å; D469-R472 IonicContact OD2-NE 2.68Å; D469-R472 PolarHBondContact OD2-NE 3.4Å; D469-R472 IonicContact OD2-NH2 3.27Å; D469-R472 PolarHBondContact OD2-NH2 2.8Å; D469-R473 HydrophobicContact CB-CG 4.38Å
470	A	94.1	Very high	93.9	Very high	16 Å²	16	57.1 Å²	57.1	13%	0.132	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	36.9	-174.8	0	0	0	0	0	113.2	C349 R472	C349-A470 HydrophobicContact CB-CB 4.47Å; A470-R472 PolarHBondContact O-N 2.67Å
471	E	95.5	Very high	94.3	Very high	15 Å²	15	54.1 Å²	54.1	7%	0.07	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	14.5	-176.5	-47.9	178.4	107.6	0	0	114.9	K351 T352 T467 T468 D469 R473 F497 R499	K351-E471 HydrophobicContact CB-CG 4.06Å; K351-E471 HydrophobicContact CD-CG 4.3Å; K351-E471 HydrophobicContact CG-CG 3.95Å; T352-E471 WeakPolarHBondContact CB-OE2 3.18Å; T352-E471 PolarHBondContact N-OE2 2.86Å; T352-E471 PolarHBondContact OG1-OE2 3.49Å; T467-E471 WeakPolarHBondContact OG1-CG 3.33Å; T468-E471 CarbonylContact O-C 3.5Å; T468-E471 WeakPolarHBondContact O-CA 3.41Å; T468-E471 PolarHBondContact O-N 2.84Å; T468-E471 VanDerWaalsContact O-N 3.1Å; D469-E471 PolarHBondContact O-N 2.8Å; E471-R473 VanDerWaalsContact C-N 3.35Å; E471-F497 WeakPolarHBondContact O-CD2 3.48Å; E471-R499 HydrophobicContact CB-CB 4.49Å; E471-R499 IonicContact OE1-CZ 2.86Å; E471-R499 IonicContact OE1-NE 3.43Å; E471-R499 PolarHBondContact OE1-NE 3.46Å; E471-R499 IonicContact OE1-NH2 2.95Å; E471-R499 PolarHBondContact OE1-NH2 3.06Å; E471-R499 IonicContact OE2-CZ 2.73Å; E471-R499 IonicContact OE2-NE 2.86Å; E471-R499 PolarHBondContact OE2-NE 3.08Å; E471-R499 VanDerWaalsContact OE2-NE 3.1Å; E471-R499 IonicContact OE2-NH2 2.97Å
472	R	96.8	Very high	94.8	Very high	96 Å²	96	57.4 Å²	57.4	36%	0.362	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-17.9	179.1	-63.3	-179.5	-68.7	-174.1	-1.6	113.3	A329 T468 D469 A470 F497	A329-R472 HydrophobicContact CB-CG 3.64Å; T468-R472 PolarHBondContact O-N 2.9Å; D469-R472 VanDerWaalsContact CG-NH2 3.29Å; D469-R472 WeakPolarHBondContact O-CB 3.49Å; D469-R472 VanDerWaalsContact O-CG 3.3Å; D469-R472 WeakPolarHBondContact O-CG 3.22Å; D469-R472 PolarHBondContact O-N 3.46Å; D469-R472 PolarHBondContact O-NE 3.45Å; D469-R472 VanDerWaalsContact O-NE 3.1Å; D469-R472 IonicContact OD1-CZ 3.95Å; D469-R472 IonicContact OD1-NE 2.9Å; D469-R472 IonicContact OD1-NH2 3.62Å; D469-R472 PolarHBondContact OD1-NH2 2.9Å; D469-R472 IonicContact OD2-CZ 3.43Å; D469-R472 IonicContact OD2-NE 2.68Å; D469-R472 PolarHBondContact OD2-NE 3.4Å; D469-R472 IonicContact OD2-NH2 3.27Å; D469-R472 PolarHBondContact OD2-NH2 2.8Å; A470-R472 PolarHBondContact O-N 2.67Å; R472-F497 WeakPolarHBondContact O-CB 3.34Å
473	R	97.8	Very high	95.4	Very high	98 Å²	98	55.6 Å²	55.6	37%	0.37	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	141.2	-179.7	-58.8	-171.3	67.8	73.5	-1.8	110.9	T467 T468 D469 E471 Q481 D485	T467-R473 CarbonylContact C-O 3.54Å; T467-R473 WeakPolarHBondContact CA-O 3.22Å; T467-R473 VanDerWaalsContact CB-O 3.3Å; T467-R473 WeakPolarHBondContact CB-O 3.19Å; T468-R473 HydrophobicContact CG2-CB 3.96Å; T468-R473 PolarHBondContact N-O 2.77Å; T468-R473 PolarHBondContact O-N 3.22Å; D469-R473 HydrophobicContact CB-CG 4.38Å; E471-R473 VanDerWaalsContact C-N 3.35Å; R473-Q481 VanDerWaalsContact NH2-CG 3.3Å; R473-D485 IonicContact CZ-OD2 3.45Å; R473-D485 IonicContact NH1-OD1 3.58Å; R473-D485 PolarHBondContact NH1-OD1 3.05Å; R473-D485 IonicContact NH1-OD2 3.2Å; R473-D485 PolarHBondContact NH1-OD2 2.7Å; R473-D485 IonicContact NH2-OD2 2.85Å; R473-D485 PolarHBondContact NH2-OD2 3.13Å
474	T	96.6	Very high	96	Very high	10 Å²	10	47 Å²	47	6%	0.061	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	141	170.3	55.5	0	0	0	0	110.3	I465 D466 T467 L480 Q481 I484 V498	I465-T474 HydrophobicContact CG2-CG2 3.97Å; D466-T474 CarbonylContact O-C 3.59Å; D466-T474 WeakPolarHBondContact O-CA 3.44Å; T467-T474 HydrophobicContact CG2-CG2 4.43Å; T474-L480 HydrophobicContact CG2-CD2 4.08Å; T474-L480 HydrophobicContact CG2-CG 4.46Å; T474-Q481 WeakPolarHBondContact OG1-CA 3.45Å; T474-Q481 VanDerWaalsContact OG1-CB 3.29Å; T474-Q481 WeakPolarHBondContact OG1-CB 2.91Å; T474-Q481 PolarHBondContact OG1-N 2.69Å; T474-Q481 PolarHBondContact OG1-OE1 3.45Å; T474-I484 HydrophobicContact CG2-CD1 4.48Å; T474-V498 HydrophobicContact CG2-CG2 3.33Å
475	V	96.4	Very high	96.4	Very high	95 Å²	95	46.6 Å²	46.6	58%	0.576	27%	0.267	S	S	*	.			trans	-103.5	-39	173.4	178.2	0	0	0	0	109.5	D466 T468	D466-V475 HydrophobicContact CB-CB 4.37Å; D466-V475 PolarHBondContact O-N 3.07Å; T468-V475 HydrophobicContact CG2-CG2 3.68Å
476	S	95.1	Very high	96.6	Very high	26 Å²	26	49.8 Å²	49.8	18%	0.182	29%	0.289	C	S	.	.	S	Bend	trans	-131.6	153.1	175.2	59.2	0	0	0	0	109.6	V464 I465 D466	V464-S476 CarbonylContact O-C 3.51Å; V464-S476 PolarHBondContact O-OG 3.02Å; I465-S476 WeakPolarHBondContact CA-O 3.45Å; D466-S476 WeakPolarHBondContact CB-OG 3.4Å; D466-S476 PolarHBondContact N-O 3.44Å; D466-S476 PolarHBondContact N-OG 3.25Å; D466-S476 PolarHBondContact O-N 3.39Å; D466-S476 PolarHBondContact OD2-OG 3.02Å
477	P	95.9	Very high	96.8	Very high	29 Å²	29	47.8 Å²	47.8	19%	0.188	28%	0.275	C	S	.	.	S	Bend	cis	-68.8	154.5	-10.7	30	-35	0	0	0	112.2	V464 G479 L480 L533 A534	V464-P477 WeakPolarHBondContact O-CD 3.36Å; P477-G479 PolarHBondContact O-N 3.46Å; P477-L480 HydrophobicContact CG-CB 4.11Å; P477-L480 HydrophobicContact CG-CD2 4.14Å; P477-L480 WeakPolarHBondContact O-CB 3.35Å; P477-L480 PolarHBondContact O-N 2.96Å; P477-L533 HydrophobicContact CG-CB 4.34Å; P477-L533 VanDerWaalsContact CG-O 3.28Å; P477-L533 WeakPolarHBondContact CG-O 3.36Å; P477-A534 HydrophobicContact CG-CB 4.17Å
478	A	95.8	Very high	96.9	Very high	95 Å²	95	47.6 Å²	47.6	79%	0.785	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	138.7	179.1	0	0	0	0	0	111.4	L480	A478-L480 VanDerWaalsContact C-N 3.3Å; A478-L480 PolarHBondContact O-N 2.96Å
479	G	96.8	Very high	97	Very high	34 Å²	34	52.5 Å²	52.5	35%	0.351	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	-16	-178.1	0	0	0	0	0	114.6	P477 E482 A483	P477-G479 PolarHBondContact O-N 3.46Å; G479-E482 VanDerWaalsContact C-OE2 3.24Å; G479-E482 WeakPolarHBondContact CA-OE2 3.34Å; G479-E482 PolarHBondContact N-OE2 3.29Å; G479-A483 VanDerWaalsContact O-CB 3.24Å; G479-A483 WeakPolarHBondContact O-CB 3.48Å; G479-A483 PolarHBondContact O-N 2.93Å
480	L	97.7	Very high	97.1	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-68.1	-44.1	-179.6	-179.4	58.2	0	0	0	111.7	I465 T474 P477 A478 E482 A483 I484 V498 A529 V530 L533	I465-L480 HydrophobicContact CD1-CD2 4.05Å; I465-L480 HydrophobicContact CG1-CD2 4.48Å; T474-L480 HydrophobicContact CG2-CD2 4.08Å; T474-L480 HydrophobicContact CG2-CG 4.46Å; P477-L480 HydrophobicContact CG-CB 4.11Å; P477-L480 HydrophobicContact CG-CD2 4.14Å; P477-L480 WeakPolarHBondContact O-CB 3.35Å; P477-L480 PolarHBondContact O-N 2.96Å; A478-L480 VanDerWaalsContact C-N 3.3Å; A478-L480 PolarHBondContact O-N 2.96Å; L480-E482 PolarHBondContact O-N 3.29Å; L480-A483 WeakPolarHBondContact O-CB 3.35Å; L480-A483 PolarHBondContact O-N 3Å; L480-I484 HydrophobicContact CD1-CD1 4.29Å; L480-I484 HydrophobicContact CD1-CG1 4.47Å; L480-I484 HydrophobicContact CG-CD1 4.1Å; L480-I484 VanDerWaalsContact O-CG1 3.31Å; L480-I484 WeakPolarHBondContact O-CG1 3.46Å; L480-I484 PolarHBondContact O-N 3.35Å; L480-V498 HydrophobicContact CD2-CG2 4.07Å; L480-A529 HydrophobicContact CD1-CB 4.2Å; L480-V530 HydrophobicContact CD1-CG2 4.19Å; L480-L533 HydrophobicContact CB-CD1 4.33Å; L480-L533 HydrophobicContact CD1-CB 4.42Å; L480-L533 HydrophobicContact CD1-CD1 4.11Å
481	Q	98.4	Very high	97.3	Very high	10 Å²	10	56.6 Å²	56.6	5%	0.047	30%	0.299	C	S	.	.	H	α-helix	trans	-65.9	-41.5	179.1	-168.6	55.4	43.8	0	0	111.7	R473 T474 A483 I484 D485	R473-Q481 VanDerWaalsContact NH2-CG 3.3Å; T474-Q481 WeakPolarHBondContact OG1-CA 3.45Å; T474-Q481 VanDerWaalsContact OG1-CB 3.29Å; T474-Q481 WeakPolarHBondContact OG1-CB 2.91Å; T474-Q481 PolarHBondContact OG1-N 2.69Å; T474-Q481 PolarHBondContact OG1-OE1 3.45Å; Q481-A483 VanDerWaalsContact C-N 3.27Å; Q481-A483 PolarHBondContact O-N 3.03Å; Q481-I484 PolarHBondContact O-N 3Å; Q481-I484 VanDerWaalsContact O-N 3.16Å; Q481-D485 PolarHBondContact NE2-OD1 3.35Å; Q481-D485 WeakPolarHBondContact O-CB 3.33Å; Q481-D485 VanDerWaalsContact O-CG 3.31Å; Q481-D485 PolarHBondContact O-N 2.97Å
482	E	98.2	Very high	97.4	Very high	115 Å²	115	64.8 Å²	64.8	54%	0.537	33%	0.329	S	S	.	.	H	α-helix	trans	-62.2	-39	176.7	-64.8	75.7	-167.2	0	0	110.9	G479 L480 S486	G479-E482 VanDerWaalsContact C-OE2 3.24Å; G479-E482 WeakPolarHBondContact CA-OE2 3.34Å; G479-E482 PolarHBondContact N-OE2 3.29Å; L480-E482 PolarHBondContact O-N 3.29Å; E482-S486 VanDerWaalsContact O-CB 3.3Å; E482-S486 WeakPolarHBondContact O-CB 3.19Å; E482-S486 PolarHBondContact O-N 3.29Å; E482-S486 PolarHBondContact O-OG 3.3Å
483	A	98.3	Very high	97.4	Very high	16 Å²	16	66.9 Å²	66.9	13%	0.132	34%	0.337	C	S	.	.	H	α-helix	trans	-63.5	-40.4	174.6	0	0	0	0	0	112.1	G479 L480 Q481 R487 A529 L533	G479-A483 VanDerWaalsContact O-CB 3.24Å; G479-A483 WeakPolarHBondContact O-CB 3.48Å; G479-A483 PolarHBondContact O-N 2.93Å; L480-A483 WeakPolarHBondContact O-CB 3.35Å; L480-A483 PolarHBondContact O-N 3Å; Q481-A483 VanDerWaalsContact C-N 3.27Å; Q481-A483 PolarHBondContact O-N 3.03Å; A483-R487 WeakPolarHBondContact O-CD 3.43Å; A483-R487 VanDerWaalsContact O-CG 3.29Å; A483-R487 WeakPolarHBondContact O-CG 3.38Å; A483-R487 PolarHBondContact O-N 3.11Å; A483-R487 PolarHBondContact O-NH1 3.4Å; A483-A529 HydrophobicContact CB-CB 4.29Å; A483-L533 HydrophobicContact CB-CD1 4.1Å
484	I	98.4	Very high	97.4	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-66	-53.8	175.2	-66	163.7	0	0	0	110.2	T474 L480 Q481 S486 R487 V488 V498 V526	T474-I484 HydrophobicContact CG2-CD1 4.48Å; L480-I484 HydrophobicContact CD1-CD1 4.29Å; L480-I484 HydrophobicContact CD1-CG1 4.47Å; L480-I484 HydrophobicContact CG-CD1 4.1Å; L480-I484 VanDerWaalsContact O-CG1 3.31Å; L480-I484 WeakPolarHBondContact O-CG1 3.46Å; L480-I484 PolarHBondContact O-N 3.35Å; Q481-I484 PolarHBondContact O-N 3Å; Q481-I484 VanDerWaalsContact O-N 3.16Å; I484-S486 PolarHBondContact O-N 3.01Å; I484-R487 PolarHBondContact O-N 3.16Å; I484-V488 HydrophobicContact CG2-CG2 4.2Å; I484-V488 WeakPolarHBondContact O-CG2 3.2Å; I484-V488 PolarHBondContact O-N 2.7Å; I484-V498 HydrophobicContact CD1-CB 4.46Å; I484-V498 HydrophobicContact CD1-CG1 3.91Å; I484-V498 HydrophobicContact CD1-CG2 3.76Å; I484-V526 HydrophobicContact CD1-CG1 4.5Å; I484-V526 HydrophobicContact CG1-CG1 3.99Å
485	D	98.4	Very high	97.4	Very high	49 Å²	49	65.9 Å²	65.9	26%	0.262	34%	0.337	S	S	.	.	H	α-helix	trans	-56.7	-37.5	-178	-71.1	-9.5	0	0	0	111.1	R473 Q481 K489	R473-D485 IonicContact CZ-OD2 3.45Å; R473-D485 IonicContact NH1-OD1 3.58Å; R473-D485 PolarHBondContact NH1-OD1 3.05Å; R473-D485 IonicContact NH1-OD2 3.2Å; R473-D485 PolarHBondContact NH1-OD2 2.7Å; R473-D485 IonicContact NH2-OD2 2.85Å; R473-D485 PolarHBondContact NH2-OD2 3.13Å; Q481-D485 PolarHBondContact NE2-OD1 3.35Å; Q481-D485 WeakPolarHBondContact O-CB 3.33Å; Q481-D485 VanDerWaalsContact O-CG 3.31Å; Q481-D485 PolarHBondContact O-N 2.97Å; D485-K489 WeakPolarHBondContact O-CG 3.41Å; D485-K489 PolarHBondContact O-N 3.35Å
486	S	98.2	Very high	97.5	Very high	68 Å²	68	61.8 Å²	61.8	48%	0.476	31%	0.312	S	S	.	.	H	α-helix	trans	-67.6	-34	177.3	-57.9	0	0	0	0	113.5	E482 I484	E482-S486 VanDerWaalsContact O-CB 3.3Å; E482-S486 WeakPolarHBondContact O-CB 3.19Å; E482-S486 PolarHBondContact O-N 3.29Å; E482-S486 PolarHBondContact O-OG 3.3Å; I484-S486 PolarHBondContact O-N 3.01Å
487	R	98.1	Very high	97.7	Very high	54 Å²	54	60.7 Å²	60.7	20%	0.204	30%	0.304	C	S	.	.	H	α-helix	trans	-77.3	-42.5	178.6	-69.3	162.4	171.2	64.1	1.6	111.2	A483 I484 K489 K490 Y491 L522 E525 V526	A483-R487 WeakPolarHBondContact O-CD 3.43Å; A483-R487 VanDerWaalsContact O-CG 3.29Å; A483-R487 WeakPolarHBondContact O-CG 3.38Å; A483-R487 PolarHBondContact O-N 3.11Å; A483-R487 PolarHBondContact O-NH1 3.4Å; I484-R487 PolarHBondContact O-N 3.16Å; R487-K489 PolarHBondContact O-N 3.5Å; R487-K490 WeakPolarHBondContact O-CB 3.3Å; R487-K490 WeakPolarHBondContact O-CG 3.4Å; R487-K490 PolarHBondContact O-N 3.14Å; R487-Y491 WeakPolarHBondContact O-CD2 3.04Å; R487-L522 HydrophobicContact CB-CD1 3.82Å; R487-E525 HydrophobicContact CG-CB 4.23Å; R487-E525 WeakPolarHBondContact CG-OE2 3.44Å; R487-E525 PolarHBondContact NE-O 3.04Å; R487-V526 HydrophobicContact CB-CG2 4.38Å
488	V	98.1	Very high	97.7	Very high	27 Å²	27	59.4 Å²	59.4	16%	0.164	30%	0.296	C	S	.	.	H	α-helix	trans	-55.9	-40.9	177.4	172.7	0	0	0	0	111.3	I484 K490 Y491 A494 L522	I484-V488 HydrophobicContact CG2-CG2 4.2Å; I484-V488 WeakPolarHBondContact O-CG2 3.2Å; I484-V488 PolarHBondContact O-N 2.7Å; V488-K490 PolarHBondContact O-N 2.88Å; V488-K490 VanDerWaalsContact O-N 3.07Å; V488-Y491 PolarHBondContact O-N 3.24Å; V488-Y491 VanDerWaalsContact O-N 3.15Å; V488-A494 HydrophobicContact CG1-CB 4.23Å; V488-A494 VanDerWaalsContact CG1-O 3.24Å; V488-A494 WeakPolarHBondContact CG1-O 3.39Å; V488-L522 HydrophobicContact CG2-CD1 4.23Å; V488-L522 HydrophobicContact CG2-CD2 4.32Å
489	K	97.9	Very high	97.7	Very high	175 Å²	175	56.1 Å²	56.1	76%	0.761	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-17.8	178.6	-74.8	172.3	-174.8	177	0	115.2	D485 R487 Y491	D485-K489 WeakPolarHBondContact O-CG 3.41Å; D485-K489 PolarHBondContact O-N 3.35Å; R487-K489 PolarHBondContact O-N 3.5Å; K489-Y491 VanDerWaalsContact C-N 3.31Å
490	K	97.8	Very high	97.4	Very high	128 Å²	128	55.5 Å²	55.5	56%	0.557	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-19.9	179.2	-59.1	175.1	-177.7	171.5	0	113	R487 V488 E525	R487-K490 WeakPolarHBondContact O-CB 3.3Å; R487-K490 WeakPolarHBondContact O-CG 3.4Å; R487-K490 PolarHBondContact O-N 3.14Å; V488-K490 PolarHBondContact O-N 2.88Å; V488-K490 VanDerWaalsContact O-N 3.07Å; K490-E525 IonicContact NZ-OE1 3.57Å; K490-E525 PolarHBondContact NZ-OE1 3.18Å; K490-E525 IonicContact NZ-OE2 3.62Å; K490-E525 PolarHBondContact NZ-OE2 3.33Å
491	Y	97.6	Very high	96.8	Very high	49 Å²	49	55.5 Å²	55.5	19%	0.192	25%	0.253	C	S	.	.	S	Bend	trans	-118.3	156.7	-170.8	-57.1	-81.8	0	0	0	111.3	R487 V488 K489 A521 L522 E525	R487-Y491 WeakPolarHBondContact O-CD2 3.04Å; V488-Y491 PolarHBondContact O-N 3.24Å; V488-Y491 VanDerWaalsContact O-N 3.15Å; K489-Y491 VanDerWaalsContact C-N 3.31Å; Y491-A521 HydrophobicContact CE1-CB 4.17Å; Y491-A521 WeakPolarHBondContact OH-CB 3.18Å; Y491-L522 HydrophobicContact CD2-CB 3.97Å; Y491-L522 HydrophobicContact CD2-CD1 4Å; Y491-L522 HydrophobicContact CD2-CD2 4.34Å; Y491-L522 HydrophobicContact CD2-CG 4.33Å; Y491-L522 HydrophobicContact CE2-CB 3.87Å; Y491-L522 HydrophobicContact CE2-CD1 4.02Å; Y491-L522 HydrophobicContact CE2-CG 4.47Å; Y491-E525 PolarHBondContact OH-OE1 3.33Å
492	R	97.4	Very high	95.6	Very high	186 Å²	186	56.7 Å²	56.7	70%	0.702	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	146	-179.2	-65.4	-178.4	69.4	179.9	-0.4	110.7	A494 D514	R492-A494 PolarHBondContact O-N 2.93Å; R492-D514 HydrophobicContact CB-CB 4.32Å; R492-D514 WeakPolarHBondContact CB-OD2 3.13Å; R492-D514 PolarHBondContact O-N 3.19Å; R492-D514 VanDerWaalsContact O-N 3.1Å
493	R	95.9	Very high	94.1	Very high	140 Å²	140	54.6 Å²	54.6	53%	0.528	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.6	35.3	-176.7	-58.5	-175.8	72	-165.1	0.6	112	L450 D514	L450-R493 HydrophobicContact CD1-CB 4.4Å; L450-R493 WeakPolarHBondContact CD1-O 3.49Å; L450-R493 HydrophobicContact CD2-CB 4.17Å; R493-D514 HydrophobicContact CB-CB 4.41Å
494	A	97.7	Very high	92.8	Very high	22 Å²	22	58 Å²	58	18%	0.182	28%	0.276	C	S	.	.			trans	-98	145.8	-169.1	0	0	0	0	0	111.8	V488 R492 E512 A513 L522	V488-A494 HydrophobicContact CG1-CB 4.23Å; V488-A494 VanDerWaalsContact CG1-O 3.24Å; V488-A494 WeakPolarHBondContact CG1-O 3.39Å; R492-A494 PolarHBondContact O-N 2.93Å; A494-E512 WeakPolarHBondContact CA-O 3.34Å; A494-A513 HydrophobicContact CB-CB 4.19Å; A494-L522 HydrophobicContact CB-CD2 3.95Å
495	R	98.3	Very high	91.8	Very high	66 Å²	66	62.6 Å²	62.6	25%	0.249	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	140.6	173.2	-176.6	176.4	60.9	92.7	1.3	109	A329 A331 A511 E512	A329-R495 PolarHBondContact O-NH1 2.96Å; A329-R495 PolarHBondContact O-NH2 3.39Å; A331-R495 PolarHBondContact O-NH2 3.45Å; R495-A511 CarbonylContact O-C 3.59Å; R495-A511 WeakPolarHBondContact O-CA 3.45Å; R495-E512 HydrophobicContact CB-CG 3.87Å; R495-E512 IonicContact CZ-OE1 3.03Å; R495-E512 VanDerWaalsContact CZ-OE1 3.29Å; R495-E512 PolarHBondContact N-O 2.74Å; R495-E512 IonicContact NE-OE1 2.99Å; R495-E512 PolarHBondContact NE-OE1 2.87Å; R495-E512 VanDerWaalsContact NH2-CD 3.26Å; R495-E512 IonicContact NH2-OE1 4Å; R495-E512 PolarHBondContact NH2-OE1 3.5Å; R495-E512 IonicContact NH2-OE2 2.57Å; R495-E512 PolarHBondContact NH2-OE2 2.94Å; R495-E512 PolarHBondContact O-N 2.94Å
496	S	98.4	Very high	91.4	Very high	9 Å²	9	60.8 Å²	60.8	6%	0.063	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	146.5	173.1	-176.8	0	0	0	0	110.3	Y510	S496-Y510 WeakPolarHBondContact CA-O 3.27Å; S496-Y510 VanDerWaalsContact CB-O 3.27Å; S496-Y510 WeakPolarHBondContact CB-O 3.49Å; S496-Y510 PolarHBondContact OG-O 3.16Å
497	F	98.3	Very high	91.2	Very high	3 Å²	3	57.5 Å²	57.5	1%	0.013	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	164.7	174	72.7	-81.1	0	0	0	109.7	A329 Y330 E471 R472 R499 Y510	A329-F497 HydrophobicContact CB-CD1 4.14Å; A329-F497 HydrophobicContact CB-CD2 4.1Å; A329-F497 HydrophobicContact CB-CE1 3.69Å; A329-F497 HydrophobicContact CB-CE2 3.66Å; A329-F497 HydrophobicContact CB-CG 4.33Å; A329-F497 HydrophobicContact CB-CZ 3.44Å; A329-F497 VanDerWaalsContact CB-CZ 3.44Å; A329-F497 WeakPolarHBondContact O-CE1 3.26Å; Y330-F497 AromaticContact CD1-CZ 3.81Å; Y330-F497 HydrophobicContact CD1-CZ 3.81Å; Y330-F497 HydrophobicContact CD2-CZ 4.04Å; Y330-F497 HydrophobicContact CE1-CE2 4.35Å; Y330-F497 AromaticContact CE1-CZ 3.8Å; Y330-F497 HydrophobicContact CE1-CZ 3.8Å; Y330-F497 HydrophobicContact CE2-CE2 4.18Å; Y330-F497 HydrophobicContact CE2-CZ 4.02Å; Y330-F497 AromaticContact CG-CZ 3.93Å; Y330-F497 HydrophobicContact CG-CZ 3.93Å; Y330-F497 AromaticContact CZ-CZ 3.9Å; E471-F497 WeakPolarHBondContact O-CD2 3.48Å; R472-F497 WeakPolarHBondContact O-CB 3.34Å; F497-R499 HydrophobicContact CE2-CG 4.4Å; F497-Y510 AromaticContact CD1-CD1 3.9Å; F497-Y510 HydrophobicContact CD1-CD1 3.9Å; F497-Y510 HydrophobicContact CD1-CG 4.26Å; F497-Y510 VanDerWaalsContact CE1-CB 3.43Å; F497-Y510 AromaticContact CE1-CD1 3.49Å; F497-Y510 HydrophobicContact CE1-CD1 3.49Å; F497-Y510 VanDerWaalsContact CE1-CD1 3.49Å; F497-Y510 HydrophobicContact CE1-CE1 4.41Å; F497-Y510 AromaticContact CE1-CG 3.59Å; F497-Y510 HydrophobicContact CE1-CG 3.59Å; F497-Y510 HydrophobicContact CZ-CG 4.27Å; F497-Y510 PolarHBondContact N-O 3.35Å; F497-Y510 PolarHBondContact O-N 3.15Å
498	V	97	Very high	91	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.006	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	146.4	179.1	-50	0	0	0	0	110.3	T474 L480 I484 V507 R508 V509 V526 V530	T474-V498 HydrophobicContact CG2-CG2 3.33Å; L480-V498 HydrophobicContact CD2-CG2 4.07Å; I484-V498 HydrophobicContact CD1-CB 4.46Å; I484-V498 HydrophobicContact CD1-CG1 3.91Å; I484-V498 HydrophobicContact CD1-CG2 3.76Å; V498-V507 HydrophobicContact CB-CG1 4Å; V498-V507 HydrophobicContact CG2-CG1 4.47Å; V498-R508 VanDerWaalsContact CA-O 3.25Å; V498-R508 WeakPolarHBondContact CA-O 3.13Å; V498-V509 HydrophobicContact CG1-CB 4.35Å; V498-V509 HydrophobicContact CG1-CG1 4.23Å; V498-V509 HydrophobicContact CG1-CG2 3.88Å; V498-V526 HydrophobicContact CG1-CG1 3.48Å; V498-V526 VanDerWaalsContact CG1-CG1 3.48Å; V498-V530 HydrophobicContact CB-CG2 4.11Å; V498-V530 HydrophobicContact CG1-CG2 3.67Å; V498-V530 HydrophobicContact CG2-CG2 4.18Å
499	R	94.6	Very high	90.9	Very high	26 Å²	26	56.3 Å²	56.3	10%	0.098	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	150.7	175.5	65.6	172.1	-64.6	-73.5	-7.8	112.2	Y330 T467 E471 F497 V507 R508	Y330-R499 WeakPolarHBondContact OH-CD 3.36Å; Y330-R499 WeakPolarHBondContact OH-CG 3.38Å; T467-R499 HydrophobicContact CG2-CB 4.33Å; E471-R499 HydrophobicContact CB-CB 4.49Å; E471-R499 IonicContact OE1-CZ 2.86Å; E471-R499 IonicContact OE1-NE 3.43Å; E471-R499 PolarHBondContact OE1-NE 3.46Å; E471-R499 IonicContact OE1-NH2 2.95Å; E471-R499 PolarHBondContact OE1-NH2 3.06Å; E471-R499 IonicContact OE2-CZ 2.73Å; E471-R499 IonicContact OE2-NE 2.86Å; E471-R499 PolarHBondContact OE2-NE 3.08Å; E471-R499 VanDerWaalsContact OE2-NE 3.1Å; E471-R499 IonicContact OE2-NH2 2.97Å; F497-R499 HydrophobicContact CE2-CG 4.4Å; R499-V507 WeakPolarHBondContact O-CA 3.24Å; R499-R508 HydrophobicContact CG-CB 4.45Å; R499-R508 PolarHBondContact N-O 3.16Å; R499-R508 PolarHBondContact O-N 3.4Å
500	P	91.4	Very high	90.9	Very high	21 Å²	21	48.2 Å²	48.2	14%	0.136	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	140	172.8	28.7	-35.2	0	0	0	110.9	R462	R462-P500 HydrophobicContact CB-CB 4.07Å; R462-P500 HydrophobicContact CG-CB 4.45Å
501	S	84.1	Confident	90.9	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.007	20%	0.199	C	C	.	.			trans	-65.7	148.7	169.6	-173.5	0	0	0	0	110	R462 E504 V506 R508	R462-S501 VanDerWaalsContact CD-O 3.32Å; R462-S501 WeakPolarHBondContact CD-O 3.32Å; R462-S501 PolarHBondContact NH1-O 2.95Å; S501-E504 WeakPolarHBondContact CB-O 3.34Å; S501-V506 VanDerWaalsContact CB-O 3.29Å; S501-V506 WeakPolarHBondContact CB-O 3.39Å; S501-V506 PolarHBondContact N-O 3.46Å; S501-R508 PolarHBondContact OG-NH2 3.38Å; S501-R508 VanDerWaalsContact OG-NH2 3.15Å
502	G	74.8	Confident	90.9	Very high	34 Å²	34	40.1 Å²	40.1	35%	0.351	19%	0.191	S	C	.	.	S	Bend	trans	-82.1	-17.8	178.9	0	0	0	0	0	113.7
503	T	64.9	Low	91	Very high	71 Å²	71	31.2 Å²	31.2	44%	0.436	16%	0.158	S	C	.	.	S	Bend	trans	-124.5	-10.1	-166.4	51.9	0	0	0	0	113.8
504	E	70.8	Confident	91	Very high	88 Å²	88	27.3 Å²	27.3	41%	0.411	15%	0.148	S	C	.	.	S	Bend	trans	-145.1	149.5	-171.8	-67.6	174.1	98.4	0	0	109.5	R462 S501 V506 R508	R462-E504 WeakPolarHBondContact CD-O 3.43Å; S501-E504 WeakPolarHBondContact CB-O 3.34Å; E504-V506 HydrophobicContact CB-CG1 4.46Å; E504-V506 HydrophobicContact CB-CG2 3.85Å; E504-V506 PolarHBondContact O-N 3.3Å; E504-R508 IonicContact OE2-NH2 2.78Å; E504-R508 PolarHBondContact OE2-NH2 3.16Å
505	D	79.4	Confident	91	Very high	96 Å²	96	28.7 Å²	28.7	51%	0.513	15%	0.154	S	C	.	.	S	Bend	trans	-77.1	59.4	172.7	-68.2	-37.1	0	0	0	112.1	V459 R462	V459-D505 PolarHBondContact N-O 2.87Å; R462-D505 WeakPolarHBondContact CD-OD1 3.31Å; R462-D505 WeakPolarHBondContact CG-OD1 3.46Å; R462-D505 IonicContact NE-OD1 3.89Å; R462-D505 PolarHBondContact NE-OD1 3.12Å
506	V	89.3	Confident	90.9	Very high	11 Å²	11	28.7 Å²	28.7	7%	0.067	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	153.8	175.4	-57.3	0	0	0	0	110.2	V457 K458 S501 E504	V457-V506 CarbonylContact O-C 3.59Å; V457-V506 VanDerWaalsContact O-CA 3.26Å; V457-V506 WeakPolarHBondContact O-CA 3.34Å; V457-V506 WeakPolarHBondContact O-CB 3.28Å; K458-V506 HydrophobicContact CG-CG1 4.09Å; S501-V506 VanDerWaalsContact CB-O 3.29Å; S501-V506 WeakPolarHBondContact CB-O 3.39Å; S501-V506 PolarHBondContact N-O 3.46Å; E504-V506 HydrophobicContact CB-CG1 4.46Å; E504-V506 HydrophobicContact CB-CG2 3.85Å; E504-V506 PolarHBondContact O-N 3.3Å
507	V	93.3	Very high	90.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	130.3	170.6	179.1	0	0	0	0	107.9	K456 V457 V459 I465 V498 R499 V530	K456-V507 WeakPolarHBondContact CA-O 3.32Å; V457-V507 PolarHBondContact N-O 3.13Å; V457-V507 PolarHBondContact O-N 2.95Å; V459-V507 HydrophobicContact CB-CG2 4.45Å; V459-V507 HydrophobicContact CG1-CG2 3.73Å; V459-V507 HydrophobicContact CG2-CG2 3.85Å; I465-V507 HydrophobicContact CD1-CB 4.14Å; I465-V507 HydrophobicContact CD1-CG1 3.6Å; I465-V507 HydrophobicContact CD1-CG2 3.43Å; I465-V507 VanDerWaalsContact CD1-CG2 3.43Å; I465-V507 HydrophobicContact CG1-CG2 4.36Å; V498-V507 HydrophobicContact CB-CG1 4Å; V498-V507 HydrophobicContact CG2-CG1 4.47Å; R499-V507 WeakPolarHBondContact O-CA 3.24Å; V507-V530 HydrophobicContact CB-CG1 3.84Å; V507-V530 HydrophobicContact CG1-CG1 3.8Å; V507-V530 HydrophobicContact CG1-CG2 4.41Å; V507-V530 HydrophobicContact CG2-CG1 4.12Å
508	R	94.1	Very high	90.8	Very high	56 Å²	56	35.8 Å²	35.8	21%	0.211	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	131.5	175.4	-62.7	-176	-173.7	-85	-8	108.5	Y330 V498 R499 S501 E504	Y330-R508 VanDerWaalsContact OH-CB 3.24Å; Y330-R508 WeakPolarHBondContact OH-CB 3.18Å; Y330-R508 WeakPolarHBondContact OH-CD 3.45Å; V498-R508 VanDerWaalsContact CA-O 3.25Å; V498-R508 WeakPolarHBondContact CA-O 3.13Å; R499-R508 HydrophobicContact CG-CB 4.45Å; R499-R508 PolarHBondContact N-O 3.16Å; R499-R508 PolarHBondContact O-N 3.4Å; S501-R508 PolarHBondContact OG-NH2 3.38Å; S501-R508 VanDerWaalsContact OG-NH2 3.15Å; E504-R508 IonicContact OE2-NH2 2.78Å; E504-R508 PolarHBondContact OE2-NH2 3.16Å
509	V	96.6	Very high	90.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	125.5	176	178.7	0	0	0	0	107.5	Q454 L455 V457 V498 V526 V530	Q454-V509 CarbonylContact C-O 3.57Å; Q454-V509 WeakPolarHBondContact CA-O 3.22Å; L455-V509 HydrophobicContact CB-CB 4.43Å; L455-V509 PolarHBondContact N-O 2.78Å; L455-V509 PolarHBondContact O-N 3.49Å; V457-V509 HydrophobicContact CG2-CG2 3.91Å; V498-V509 HydrophobicContact CG1-CB 4.35Å; V498-V509 HydrophobicContact CG1-CG1 4.23Å; V498-V509 HydrophobicContact CG1-CG2 3.88Å; V509-V526 HydrophobicContact CG1-CB 3.93Å; V509-V526 HydrophobicContact CG1-CG1 3.56Å; V509-V530 HydrophobicContact CG2-CG2 4.09Å
510	Y	97.3	Very high	90.9	Very high	5 Å²	5	35.5 Å²	35.5	2%	0.02	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	138.8	173.1	177.6	-89.4	0	0	0	109.3	Y330 N452 S496 F497 E512	Y330-Y510 AromaticContact CD1-CD2 3.9Å; Y330-Y510 HydrophobicContact CD1-CD2 3.9Å; Y330-Y510 HydrophobicContact CD1-CG 4.3Å; Y330-Y510 HydrophobicContact CE1-CD2 4.46Å; N452-Y510 HydrophobicContact CB-CE2 4.27Å; S496-Y510 WeakPolarHBondContact CA-O 3.27Å; S496-Y510 VanDerWaalsContact CB-O 3.27Å; S496-Y510 WeakPolarHBondContact CB-O 3.49Å; S496-Y510 PolarHBondContact OG-O 3.16Å; F497-Y510 AromaticContact CD1-CD1 3.9Å; F497-Y510 HydrophobicContact CD1-CD1 3.9Å; F497-Y510 HydrophobicContact CD1-CG 4.26Å; F497-Y510 VanDerWaalsContact CE1-CB 3.43Å; F497-Y510 AromaticContact CE1-CD1 3.49Å; F497-Y510 HydrophobicContact CE1-CD1 3.49Å; F497-Y510 VanDerWaalsContact CE1-CD1 3.49Å; F497-Y510 HydrophobicContact CE1-CE1 4.41Å; F497-Y510 AromaticContact CE1-CG 3.59Å; F497-Y510 HydrophobicContact CE1-CG 3.59Å; F497-Y510 HydrophobicContact CZ-CG 4.27Å; F497-Y510 PolarHBondContact N-O 3.35Å; F497-Y510 PolarHBondContact O-N 3.15Å; Y510-E512 HydrophobicContact CE1-CB 4.08Å; Y510-E512 HydrophobicContact CE1-CG 4.04Å; Y510-E512 PolarHBondContact OH-OE2 2.6Å
511	A	97.9	Very high	91.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	144.7	169.3	0	0	0	0	0	111.2	N452 R453 R495 L522 A523	N452-A511 CarbonylContact C-O 3.59Å; N452-A511 WeakPolarHBondContact CA-O 3.4Å; N452-A511 WeakPolarHBondContact CB-O 3.37Å; R453-A511 PolarHBondContact N-O 3.09Å; R453-A511 PolarHBondContact O-N 3.01Å; R495-A511 CarbonylContact O-C 3.59Å; R495-A511 WeakPolarHBondContact O-CA 3.45Å; A511-L522 HydrophobicContact CB-CB 4.13Å; A511-L522 HydrophobicContact CB-CD2 4.03Å; A511-L522 HydrophobicContact CB-CG 3.85Å; A511-A523 HydrophobicContact CB-CB 3.86Å
512	E	98.3	Very high	91.9	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.028	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	152.3	168.2	64.2	-174.6	-173.2	0	0	109.4	G333 L450 P451 N452 A494 R495 Y510	G333-E512 PolarHBondContact N-OE1 3.39Å; G333-E512 PolarHBondContact N-OE2 3.31Å; L450-E512 HydrophobicContact CB-CB 4.16Å; L450-E512 HydrophobicContact CD1-CG 4.16Å; P451-E512 VanDerWaalsContact O-CA 3.25Å; P451-E512 WeakPolarHBondContact O-CA 3.23Å; N452-E512 HydrophobicContact CB-CB 3.95Å; A494-E512 WeakPolarHBondContact CA-O 3.34Å; R495-E512 HydrophobicContact CB-CG 3.87Å; R495-E512 IonicContact CZ-OE1 3.03Å; R495-E512 VanDerWaalsContact CZ-OE1 3.29Å; R495-E512 PolarHBondContact N-O 2.74Å; R495-E512 IonicContact NE-OE1 2.99Å; R495-E512 PolarHBondContact NE-OE1 2.87Å; R495-E512 VanDerWaalsContact NH2-CD 3.26Å; R495-E512 IonicContact NH2-OE1 4Å; R495-E512 PolarHBondContact NH2-OE1 3.5Å; R495-E512 IonicContact NH2-OE2 2.57Å; R495-E512 PolarHBondContact NH2-OE2 2.94Å; R495-E512 PolarHBondContact O-N 2.94Å; Y510-E512 HydrophobicContact CE1-CB 4.08Å; Y510-E512 HydrophobicContact CE1-CG 4.04Å; Y510-E512 PolarHBondContact OH-OE2 2.6Å
513	A	98.3	Very high	93	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.183	C	C	.	.			trans	-156.7	179.7	177.5	0	0	0	0	0	110.9	P451 A494 A519	P451-A513 VanDerWaalsContact CD-O 3.28Å; P451-A513 WeakPolarHBondContact CD-O 3.43Å; P451-A513 PolarHBondContact O-N 3.19Å; A494-A513 HydrophobicContact CB-CB 4.19Å; A513-A519 HydrophobicContact CB-CB 4.12Å
514	D	97.4	Very high	94.5	Very high	58 Å²	58	32.9 Å²	32.9	31%	0.31	17%	0.17	S	C	.	.	S	Bend	trans	-70.2	-25.9	178.4	64.3	-33.2	0	0	0	114.7	R492 R493	R492-D514 HydrophobicContact CB-CB 4.32Å; R492-D514 WeakPolarHBondContact CB-OD2 3.13Å; R492-D514 PolarHBondContact O-N 3.19Å; R492-D514 VanDerWaalsContact O-N 3.1Å; R493-D514 HydrophobicContact CB-CB 4.41Å
515	T	97.2	Very high	95.8	Very high	51 Å²	51	30.9 Å²	30.9	31%	0.313	16%	0.16	S	C	.	.	S	Bend	trans	-127.9	158.7	174.5	83.7	0	0	0	0	112.4	E517 S518 A519	T515-E517 VanDerWaalsContact C-N 3.34Å; T515-E517 VanDerWaalsContact CB-OE2 3.29Å; T515-E517 WeakPolarHBondContact CB-OE2 3.46Å; T515-E517 PolarHBondContact O-N 3.37Å; T515-E517 PolarHBondContact OG1-OE2 3.04Å; T515-S518 PolarHBondContact O-N 3.41Å; T515-S518 PolarHBondContact OG1-N 2.95Å; T515-S518 PolarHBondContact OG1-OG 2.94Å; T515-S518 VanDerWaalsContact OG1-OG 3.07Å; T515-A519 PolarHBondContact O-N 2.86Å
516	Q	94.9	Very high	96.7	Very high	66 Å²	66	26.3 Å²	26.3	31%	0.308	14%	0.136	S	C	.	.	H	α-helix	trans	-63.6	-41.3	179	-173.5	61.6	55.5	0	0	111.5	P451 S518 A519 D520	P451-Q516 HydrophobicContact CB-CB 4.22Å; Q516-S518 VanDerWaalsContact C-N 3.28Å; Q516-S518 PolarHBondContact O-N 2.89Å; Q516-A519 PolarHBondContact O-N 3.09Å; Q516-D520 PolarHBondContact NE2-OD1 3.34Å; Q516-D520 PolarHBondContact NE2-OD2 2.84Å; Q516-D520 WeakPolarHBondContact O-CB 3.38Å; Q516-D520 VanDerWaalsContact O-CG 3.31Å; Q516-D520 PolarHBondContact O-N 2.66Å
517	E	97.1	Very high	97.1	Very high	137 Å²	137	25.9 Å²	25.9	64%	0.64	13%	0.133	S	C	*	.	H	α-helix	trans	-61.4	-39.7	177.7	-56.4	74.1	-161	0	0	110.9	T515 A521	T515-E517 VanDerWaalsContact C-N 3.34Å; T515-E517 VanDerWaalsContact CB-OE2 3.29Å; T515-E517 WeakPolarHBondContact CB-OE2 3.46Å; T515-E517 PolarHBondContact O-N 3.37Å; T515-E517 PolarHBondContact OG1-OE2 3.04Å; E517-A521 WeakPolarHBondContact O-CB 3.23Å; E517-A521 PolarHBondContact O-N 3.31Å
518	S	97.9	Very high	97.3	Very high	24 Å²	24	27 Å²	27	17%	0.168	14%	0.139	C	C	.	.	H	α-helix	trans	-69.2	-42	177.7	-63.8	0	0	0	0	112	T515 Q516 L522	T515-S518 PolarHBondContact O-N 3.41Å; T515-S518 PolarHBondContact OG1-N 2.95Å; T515-S518 PolarHBondContact OG1-OG 2.94Å; T515-S518 VanDerWaalsContact OG1-OG 3.07Å; Q516-S518 VanDerWaalsContact C-N 3.28Å; Q516-S518 PolarHBondContact O-N 2.89Å; S518-L522 WeakPolarHBondContact O-CB 3.17Å; S518-L522 VanDerWaalsContact O-CB 3.23Å; S518-L522 PolarHBondContact O-N 3.12Å
519	A	97.3	Very high	97.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-65.9	-42	177.7	0	0	0	0	0	111.6	P451 A513 T515 Q516 L522 A523	P451-A519 HydrophobicContact CB-CB 4.32Å; P451-A519 WeakPolarHBondContact O-CB 3.41Å; A513-A519 HydrophobicContact CB-CB 4.12Å; T515-A519 PolarHBondContact O-N 2.86Å; Q516-A519 PolarHBondContact O-N 3.09Å; A519-L522 PolarHBondContact O-N 3Å; A519-A523 PolarHBondContact O-N 2.81Å; A519-A523 WeakPolarHBondContact O-CB 3.19Å
520	D	96.6	Very high	97.5	Very high	21 Å²	21	24.5 Å²	24.5	11%	0.112	13%	0.13	C	C	.	.	H	α-helix	trans	-67.5	-44.4	178.3	-74.2	-17.6	0	0	0	111.8	R453 Q516 A523 H524 L544	R453-D520 IonicContact CZ-OD1 3.35Å; R453-D520 VanDerWaalsContact CZ-OD1 3.27Å; R453-D520 IonicContact CZ-OD2 2.76Å; R453-D520 IonicContact NE-OD1 3.6Å; R453-D520 PolarHBondContact NE-OD1 3.26Å; R453-D520 IonicContact NH2-OD1 3.82Å; R453-D520 PolarHBondContact NH2-OD1 3.21Å; R453-D520 IonicContact NH2-OD2 2.82Å; R453-D520 PolarHBondContact NH2-OD2 3.23Å; Q516-D520 PolarHBondContact NE2-OD1 3.34Å; Q516-D520 PolarHBondContact NE2-OD2 2.84Å; Q516-D520 WeakPolarHBondContact O-CB 3.38Å; Q516-D520 VanDerWaalsContact O-CG 3.31Å; Q516-D520 PolarHBondContact O-N 2.66Å; D520-A523 PolarHBondContact O-N 2.87Å; D520-H524 WeakPolarHBondContact O-CB 3.49Å; D520-H524 PolarHBondContact O-N 3.03Å; D520-L544 HydrophobicContact CB-CB 4.12Å; D520-L544 HydrophobicContact CB-CD1 4.08Å
521	A	97.8	Very high	97.5	Very high	36 Å²	36	26.7 Å²	26.7	30%	0.298	14%	0.139	S	C	.	.	H	α-helix	trans	-62.2	-45.2	174.5	0	0	0	0	0	111.7	Y491 E517 H524 E525	Y491-A521 HydrophobicContact CE1-CB 4.17Å; Y491-A521 WeakPolarHBondContact OH-CB 3.18Å; E517-A521 WeakPolarHBondContact O-CB 3.23Å; E517-A521 PolarHBondContact O-N 3.31Å; A521-H524 PolarHBondContact O-N 3.25Å; A521-E525 PolarHBondContact O-N 3.47Å; A521-E525 WeakPolarHBondContact O-CG 3.13Å; A521-E525 WeakPolarHBondContact O-CB 3.43Å
522	L	98.3	Very high	97.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.9	-44.8	177.6	179	58.4	0	0	0	112	R487 V488 Y491 A494 A511 S518 A519 H524 E525 V526	R487-L522 HydrophobicContact CB-CD1 3.82Å; V488-L522 HydrophobicContact CG2-CD1 4.23Å; V488-L522 HydrophobicContact CG2-CD2 4.32Å; Y491-L522 HydrophobicContact CD2-CB 3.97Å; Y491-L522 HydrophobicContact CD2-CD1 4Å; Y491-L522 HydrophobicContact CD2-CD2 4.34Å; Y491-L522 HydrophobicContact CD2-CG 4.33Å; Y491-L522 HydrophobicContact CE2-CB 3.87Å; Y491-L522 HydrophobicContact CE2-CD1 4.02Å; Y491-L522 HydrophobicContact CE2-CG 4.47Å; A494-L522 HydrophobicContact CB-CD2 3.95Å; A511-L522 HydrophobicContact CB-CB 4.13Å; A511-L522 HydrophobicContact CB-CD2 4.03Å; A511-L522 HydrophobicContact CB-CG 3.85Å; S518-L522 WeakPolarHBondContact O-CB 3.17Å; S518-L522 VanDerWaalsContact O-CB 3.23Å; S518-L522 PolarHBondContact O-N 3.12Å; A519-L522 PolarHBondContact O-N 3Å; L522-H524 VanDerWaalsContact C-N 3.3Å; L522-H524 PolarHBondContact O-N 2.8Å; L522-E525 PolarHBondContact O-N 3.21Å; L522-V526 HydrophobicContact CD1-CG2 3.92Å; L522-V526 WeakPolarHBondContact O-CB 3.37Å; L522-V526 WeakPolarHBondContact O-CG2 3.42Å; L522-V526 PolarHBondContact O-N 3.09Å
523	A	97.6	Very high	97.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59	-42.5	176.5	0	0	0	0	0	111.6	R453 L455 A511 A519 D520 S527	R453-A523 HydrophobicContact CB-CB 3.88Å; R453-A523 HydrophobicContact CG-CB 3.81Å; L455-A523 HydrophobicContact CD1-CB 3.9Å; L455-A523 HydrophobicContact CG-CB 4.29Å; A511-A523 HydrophobicContact CB-CB 3.86Å; A519-A523 PolarHBondContact O-N 2.81Å; A519-A523 WeakPolarHBondContact O-CB 3.19Å; D520-A523 PolarHBondContact O-N 2.87Å; A523-S527 PolarHBondContact O-OG 3.28Å; A523-S527 WeakPolarHBondContact O-CB 3.4Å; A523-S527 VanDerWaalsContact O-CB 3.28Å; A523-S527 PolarHBondContact O-N 3.07Å
524	H	97.8	Very high	97.1	Very high	36 Å²	36	37.8 Å²	37.8	17%	0.167	19%	0.187	C	C	.	.	H	α-helix	trans	-64.8	-51	176	177.5	-120.6	0	0	0	112	D520 A521 L522 V526 S527 L528 P541 K542 S543	D520-H524 WeakPolarHBondContact O-CB 3.49Å; D520-H524 PolarHBondContact O-N 3.03Å; A521-H524 PolarHBondContact O-N 3.25Å; L522-H524 VanDerWaalsContact C-N 3.3Å; L522-H524 PolarHBondContact O-N 2.8Å; H524-V526 VanDerWaalsContact C-N 3.29Å; H524-V526 PolarHBondContact O-N 3.5Å; H524-S527 WeakPolarHBondContact O-CB 3.13Å; H524-S527 PolarHBondContact O-N 2.97Å; H524-S527 VanDerWaalsContact O-N 3.11Å; H524-L528 WeakPolarHBondContact O-CG 3.29Å; H524-L528 PolarHBondContact O-N 2.83Å; H524-P541 PolarHBondContact NE2-O 3.02Å; H524-P541 PolarHBondContact CD2-O 2.84Å; H524-K542 PolarHBondContact CD2-O 3.3Å; H524-K542 VanDerWaalsContact NE2-C 3.34Å; H524-S543 PolarHBondContact NE2-N 2.78Å
525	E	98.1	Very high	96.9	Very high	46 Å²	46	37 Å²	37	22%	0.215	19%	0.193	C	C	.	.	H	α-helix	trans	-58.7	-39.8	-179.7	-74.6	-167.7	168.3	0	0	112.4	R487 K490 Y491 A521 L522 A529	R487-E525 HydrophobicContact CG-CB 4.23Å; R487-E525 WeakPolarHBondContact CG-OE2 3.44Å; R487-E525 PolarHBondContact NE-O 3.04Å; K490-E525 IonicContact NZ-OE1 3.57Å; K490-E525 PolarHBondContact NZ-OE1 3.18Å; K490-E525 IonicContact NZ-OE2 3.62Å; K490-E525 PolarHBondContact NZ-OE2 3.33Å; Y491-E525 PolarHBondContact OH-OE1 3.33Å; A521-E525 PolarHBondContact O-N 3.47Å; A521-E525 WeakPolarHBondContact O-CG 3.13Å; A521-E525 WeakPolarHBondContact O-CB 3.43Å; L522-E525 PolarHBondContact O-N 3.21Å; E525-A529 PolarHBondContact O-N 2.91Å
526	V	98.1	Very high	96.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-72.3	-39.4	176.9	172.2	0	0	0	0	111	I484 R487 V498 V509 L522 H524 L528 A529 V530	I484-V526 HydrophobicContact CD1-CG1 4.5Å; I484-V526 HydrophobicContact CG1-CG1 3.99Å; R487-V526 HydrophobicContact CB-CG2 4.38Å; V498-V526 HydrophobicContact CG1-CG1 3.48Å; V498-V526 VanDerWaalsContact CG1-CG1 3.48Å; V509-V526 HydrophobicContact CG1-CB 3.93Å; V509-V526 HydrophobicContact CG1-CG1 3.56Å; L522-V526 HydrophobicContact CD1-CG2 3.92Å; L522-V526 WeakPolarHBondContact O-CB 3.37Å; L522-V526 WeakPolarHBondContact O-CG2 3.42Å; L522-V526 PolarHBondContact O-N 3.09Å; H524-V526 VanDerWaalsContact C-N 3.29Å; H524-V526 PolarHBondContact O-N 3.5Å; V526-L528 VanDerWaalsContact C-N 3.28Å; V526-L528 PolarHBondContact O-N 3.16Å; V526-A529 WeakPolarHBondContact O-CB 3.36Å; V526-A529 PolarHBondContact O-N 3.37Å; V526-V530 PolarHBondContact O-N 3.48Å; V526-V530 WeakPolarHBondContact O-CG2 3.5Å
527	S	97.9	Very high	96.7	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.007	19%	0.189	C	C	.	.	H	α-helix	trans	-59.8	-39.6	174.9	-62.8	0	0	0	0	112.1	L455 A523 H524 A529 V530 Y531	L455-S527 WeakPolarHBondContact CD1-OG 3.22Å; A523-S527 PolarHBondContact O-OG 3.28Å; A523-S527 WeakPolarHBondContact O-CB 3.4Å; A523-S527 VanDerWaalsContact O-CB 3.28Å; A523-S527 PolarHBondContact O-N 3.07Å; H524-S527 WeakPolarHBondContact O-CB 3.13Å; H524-S527 PolarHBondContact O-N 2.97Å; H524-S527 VanDerWaalsContact O-N 3.11Å; S527-A529 VanDerWaalsContact C-N 3.35Å; S527-V530 PolarHBondContact O-N 3.43Å; S527-Y531 WeakPolarHBondContact O-CB 3.35Å; S527-Y531 PolarHBondContact O-N 2.91Å
528	L	97.8	Very high	96.5	Very high	25 Å²	25	31.4 Å²	31.4	13%	0.131	19%	0.187	C	C	.	.	H	α-helix	trans	-63.4	-38.4	172.7	-70.1	176.8	0	0	0	112.6	H524 V526 Y531 R532 E540 P541	H524-L528 WeakPolarHBondContact O-CG 3.29Å; H524-L528 PolarHBondContact O-N 2.83Å; V526-L528 VanDerWaalsContact C-N 3.28Å; V526-L528 PolarHBondContact O-N 3.16Å; L528-Y531 PolarHBondContact O-N 3.03Å; L528-R532 WeakPolarHBondContact O-CB 3.32Å; L528-R532 VanDerWaalsContact O-CG 3.27Å; L528-R532 WeakPolarHBondContact O-CG 3.21Å; L528-R532 PolarHBondContact O-N 2.84Å; L528-E540 WeakPolarHBondContact CD2-OE1 3.19Å; L528-E540 VanDerWaalsContact CD2-OE1 3.3Å; L528-E540 HydrophobicContact CD2-CG 3.59Å; L528-P541 HydrophobicContact CD2-CB 4.24Å
529	A	97.5	Very high	96.1	Very high	2 Å²	2	37.4 Å²	37.4	2%	0.017	21%	0.212	C	C	.	.	H	α-helix	trans	-63.9	-44.9	176	0	0	0	0	0	111.3	L480 A483 E525 V526 S527 R532 L533	L480-A529 HydrophobicContact CD1-CB 4.2Å; A483-A529 HydrophobicContact CB-CB 4.29Å; E525-A529 PolarHBondContact O-N 2.91Å; V526-A529 WeakPolarHBondContact O-CB 3.36Å; V526-A529 PolarHBondContact O-N 3.37Å; S527-A529 VanDerWaalsContact C-N 3.35Å; A529-R532 PolarHBondContact O-N 3.33Å; A529-L533 VanDerWaalsContact O-CB 3.29Å; A529-L533 WeakPolarHBondContact O-CB 3.24Å; A529-L533 WeakPolarHBondContact O-CG 3.43Å; A529-L533 PolarHBondContact O-N 3.26Å
530	V	96.9	Very high	95.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.1	-49.8	174.5	175	0	0	0	0	110.7	V457 V459 I465 L480 V498 V507 V509 V526 S527 R532 L533 A534	V457-V530 HydrophobicContact CB-CG1 3.99Å; V457-V530 HydrophobicContact CG1-CB 4.44Å; V457-V530 HydrophobicContact CG1-CG1 3.93Å; V457-V530 HydrophobicContact CG2-CB 4.37Å; V457-V530 HydrophobicContact CG2-CG1 4.32Å; V459-V530 HydrophobicContact CG1-CG1 4.45Å; I465-V530 HydrophobicContact CD1-CG1 4.33Å; L480-V530 HydrophobicContact CD1-CG2 4.19Å; V498-V530 HydrophobicContact CB-CG2 4.11Å; V498-V530 HydrophobicContact CG1-CG2 3.67Å; V498-V530 HydrophobicContact CG2-CG2 4.18Å; V507-V530 HydrophobicContact CB-CG1 3.84Å; V507-V530 HydrophobicContact CG1-CG1 3.8Å; V507-V530 HydrophobicContact CG1-CG2 4.41Å; V507-V530 HydrophobicContact CG2-CG1 4.12Å; V509-V530 HydrophobicContact CG2-CG2 4.09Å; V526-V530 PolarHBondContact O-N 3.48Å; V526-V530 WeakPolarHBondContact O-CG2 3.5Å; S527-V530 PolarHBondContact O-N 3.43Å; V530-R532 VanDerWaalsContact C-N 3.27Å; V530-R532 PolarHBondContact O-N 3.06Å; V530-L533 PolarHBondContact O-N 3.12Å; V530-A534 HydrophobicContact CG1-CB 4.21Å; V530-A534 PolarHBondContact O-N 3.45Å; V530-A534 WeakPolarHBondContact O-CB 3.4Å; V530-A534 WeakPolarHBondContact O-CA 3.39Å; V530-A534 VanDerWaalsContact O-CB 3.27Å
531	Y	96.9	Very high	95.6	Very high	51 Å²	51	42 Å²	42	20%	0.2	24%	0.235	C	C	.	.	H	α-helix	trans	-57.2	-41.5	-179	-172.6	-85.1	0	0	0	111.8	V457 S527 L528 G536 G538 E540	V457-Y531 HydrophobicContact CG1-CD2 4.17Å; S527-Y531 WeakPolarHBondContact O-CB 3.35Å; S527-Y531 PolarHBondContact O-N 2.91Å; L528-Y531 PolarHBondContact O-N 3.03Å; Y531-G536 WeakPolarHBondContact O-CA 3.45Å; Y531-G536 PolarHBondContact O-N 2.96Å; Y531-G538 PolarHBondContact OH-O 3.27Å; Y531-E540 HydrophobicContact CD1-CG 4.15Å; Y531-E540 HydrophobicContact CE1-CB 4.31Å; Y531-E540 HydrophobicContact CE1-CG 4.26Å; Y531-E540 HydrophobicContact CG-CG 4.48Å
532	R	96.5	Very high	95.1	Very high	156 Å²	156	47 Å²	47	59%	0.589	25%	0.251	S	S	*	.	H	α-helix	trans	-78.5	-37.6	-177.5	-67.9	170.9	-171.4	172.1	4.4	113.8	L528 A529 V530 E540	L528-R532 WeakPolarHBondContact O-CB 3.32Å; L528-R532 VanDerWaalsContact O-CG 3.27Å; L528-R532 WeakPolarHBondContact O-CG 3.21Å; L528-R532 PolarHBondContact O-N 2.84Å; A529-R532 PolarHBondContact O-N 3.33Å; V530-R532 VanDerWaalsContact C-N 3.27Å; V530-R532 PolarHBondContact O-N 3.06Å; R532-E540 IonicContact CZ-OE1 2.68Å; R532-E540 PolarHBondContact NH2-OE1 3.09Å; R532-E540 IonicContact NH2-OE1 3.65Å; R532-E540 PolarHBondContact NE-OE1 2.87Å; R532-E540 IonicContact NE-OE1 3.46Å
533	L	96.1	Very high	94.5	Very high	79 Å²	79	51.7 Å²	51.7	41%	0.414	28%	0.283	S	S	.	.	H	α-helix	trans	-97	-24.5	-171.6	-62.4	174.3	0	0	0	113.4	P477 L480 A483 A529 V530	P477-L533 HydrophobicContact CG-CB 4.34Å; P477-L533 VanDerWaalsContact CG-O 3.28Å; P477-L533 WeakPolarHBondContact CG-O 3.36Å; L480-L533 HydrophobicContact CB-CD1 4.33Å; L480-L533 HydrophobicContact CD1-CB 4.42Å; L480-L533 HydrophobicContact CD1-CD1 4.11Å; A483-L533 HydrophobicContact CB-CD1 4.1Å; A529-L533 VanDerWaalsContact O-CB 3.29Å; A529-L533 WeakPolarHBondContact O-CB 3.24Å; A529-L533 WeakPolarHBondContact O-CG 3.43Å; A529-L533 PolarHBondContact O-N 3.26Å; V530-L533 PolarHBondContact O-N 3.12Å
534	A	94.3	Very high	93.7	Very high	5 Å²	5	58 Å²	58	4%	0.041	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	23.9	-175.7	0	0	0	0	0	113.5	V464 I465 P477 V530	V464-A534 HydrophobicContact CG2-CB 3.96Å; I465-A534 HydrophobicContact CD1-CB 3.78Å; I465-A534 HydrophobicContact CG1-CB 3.9Å; P477-A534 HydrophobicContact CG-CB 4.17Å; V530-A534 HydrophobicContact CG1-CB 4.21Å; V530-A534 PolarHBondContact O-N 3.45Å; V530-A534 WeakPolarHBondContact O-CB 3.4Å; V530-A534 WeakPolarHBondContact O-CA 3.39Å; V530-A534 VanDerWaalsContact O-CB 3.27Å
535	G	93.4	Very high	93.5	Very high	42 Å²	42	59.1 Å²	59.1	43%	0.433	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.2	49.6	174.7	0	0	0	0	0	113.4	V459 A460	V459-G535 WeakPolarHBondContact CA-O 3.33Å; A460-G535 PolarHBondContact N-O 3.02Å
536	G	92.8	Very high	93.2	Very high	16 Å²	16	59.8 Å²	59.8	17%	0.165	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-57.6	143.9	175.1	0	0	0	0	0	112.7	K458 Y531	K458-G536 VanDerWaalsContact O-CA 3.31Å; K458-G536 WeakPolarHBondContact O-CA 3.42Å; Y531-G536 WeakPolarHBondContact O-CA 3.45Å; Y531-G536 PolarHBondContact O-N 2.96Å
537	V	93.9	Very high	93	Very high	61 Å²	61	63.1 Å²	63.1	37%	0.37	35%	0.348	S	S	.	.			trans	-132.6	155.4	179.6	-62.5	0	0	0	0	111.5	K458 A460	K458-V537 HydrophobicContact CB-CG2 4.05Å; K458-V537 WeakPolarHBondContact CB-O 3.45Å; K458-V537 PolarHBondContact O-N 3.39Å; A460-V537 HydrophobicContact CB-CG1 3.73Å
538	G	92.3	Very high	92.7	Very high	58 Å²	58	66.8 Å²	66.8	60%	0.598	37%	0.368	S	S	*	.	S	Bend	trans	77.9	-151.3	-176.6	0	0	0	0	0	112.3	Y531 E540	Y531-G538 PolarHBondContact OH-O 3.27Å; G538-E540 PolarHBondContact O-N 3.18Å
539	E	89.8	Confident	92.3	Very high	151 Å²	151	69.4 Å²	69.4	71%	0.706	38%	0.383	S	S	*	.	S	Bend	trans	-66.1	132.5	-178.8	-64.8	-165.3	-178.4	0	0	111.9	K542	E539-K542 WeakPolarHBondContact OE2-CE 3.2Å; E539-K542 IonicContact OE2-NZ 2.95Å; E539-K542 PolarHBondContact OE2-NZ 3.46Å
540	E	92.1	Very high	92	Very high	88 Å²	88	73.9 Å²	73.9	41%	0.411	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-63.1	141.5	172.3	-169	174	-169.1	0	0	109.9	L528 Y531 R532 G538 K542	L528-E540 WeakPolarHBondContact CD2-OE1 3.19Å; L528-E540 VanDerWaalsContact CD2-OE1 3.3Å; L528-E540 HydrophobicContact CD2-CG 3.59Å; Y531-E540 HydrophobicContact CD1-CG 4.15Å; Y531-E540 HydrophobicContact CE1-CB 4.31Å; Y531-E540 HydrophobicContact CE1-CG 4.26Å; Y531-E540 HydrophobicContact CG-CG 4.48Å; R532-E540 IonicContact CZ-OE1 2.68Å; R532-E540 PolarHBondContact NH2-OE1 3.09Å; R532-E540 IonicContact NH2-OE1 3.65Å; R532-E540 PolarHBondContact NE-OE1 2.87Å; R532-E540 IonicContact NE-OE1 3.46Å; G538-E540 PolarHBondContact O-N 3.18Å; E540-K542 PolarHBondContact O-N 3.5Å
541	P	92	Very high	91.6	Very high	28 Å²	28	79.1 Å²	79.1	18%	0.182	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-52.5	123.9	177	-29.1	35.5	0	0	0	112.9	V457 H524 L528	V457-P541 HydrophobicContact CG2-CG 4.33Å; H524-P541 PolarHBondContact NE2-O 3.02Å; H524-P541 PolarHBondContact CD2-O 2.84Å; L528-P541 HydrophobicContact CD2-CB 4.24Å
542	K	87.4	Confident	91.2	Very high	143 Å²	143	81.3 Å²	81.3	62%	0.622	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-87.8	153.6	176.7	-63.6	176.5	-170.9	158.7	0	110.6	H524 E539 E540	H524-K542 PolarHBondContact CD2-O 3.3Å; H524-K542 VanDerWaalsContact NE2-C 3.34Å; E539-K542 WeakPolarHBondContact OE2-CE 3.2Å; E539-K542 IonicContact OE2-NZ 2.95Å; E539-K542 PolarHBondContact OE2-NZ 3.46Å; E540-K542 PolarHBondContact O-N 3.5Å
543	S	84.7	Confident	90.8	Very high	97 Å²	97	75.1 Å²	75.1	68%	0.678	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-60.4	142.8	170.8	54.9	0	0	0	0	110.1	H524	H524-S543 PolarHBondContact NE2-N 2.78Å
544	L	80.9	Confident	90.3	Very high	133 Å²	133	74.7 Å²	74.7	70%	0.696	45%	0.446	S	S	*	.			trans	-87.7	0	-179.2	-67.6	173.9	0	0	0	112.6	R453 L455 D520	R453-L544 HydrophobicContact CG-CD1 3.66Å; L455-L544 HydrophobicContact CD1-CD1 4.03Å; L455-L544 HydrophobicContact CD2-CD1 4.11Å; L455-L544 HydrophobicContact CD2-CD2 4.2Å; L455-L544 HydrophobicContact CG-CD1 4.43Å; D520-L544 HydrophobicContact CB-CB 4.12Å; D520-L544 HydrophobicContact CB-CD1 4.08Å

Retrieved 544 of 544 residues in 1503.1 ms (Link to these results)

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