A0A078N1N5_HUMAN Loading...

MHC Class I antigen

AlphaFold DB , UniProt , Accession A0A078N1N5, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 337 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	34.3	Very low	41	Very low	236 Å²	236	130.3 Å²	130.3	100%	1.163	71%	0.711	S	S	*	*				0	94.1	0	-103.9	174.7	-83.2	0	0	107.4	V3	M1-V3 PolarHBondContact O-N 2.89Å
2	A	35	Very low	41.1	Very low	104 Å²	104	130.3 Å²	130.3	86%	0.86	71%	0.709	S	S	*	*			trans	-81.6	110.1	171.6	0	0	0	0	0	106.7	M4	A2-M4 PolarHBondContact O-N 3.31Å
3	V	38.5	Very low	40.8	Very low	139 Å²	139	128 Å²	128	84%	0.842	70%	0.695	S	S	*	*			trans	-70.6	101.2	174.4	178.9	0	0	0	0	106.5	M1 A5	M1-V3 PolarHBondContact O-N 2.89Å; V3-A5 PolarHBondContact O-N 3.48Å; V3-A5 VanDerWaalsContact O-N 3.13Å
4	M	38.3	Very low	40.8	Very low	179 Å²	179	123.3 Å²	123.3	88%	0.882	68%	0.676	S	S	*	*			trans	-73.3	101.3	176	-161	168	68.9	0	0	107.1	A2	A2-M4 PolarHBondContact O-N 3.31Å
5	A	42.7	Very low	41	Very low	51 Å²	51	117.3 Å²	117.3	42%	0.421	65%	0.654	S	S	.	*			trans	-56.5	141.6	173.5	0	0	0	0	0	109.4	V3 R7 L10	V3-A5 PolarHBondContact O-N 3.48Å; V3-A5 VanDerWaalsContact O-N 3.13Å; A5-R7 PolarHBondContact O-N 2.89Å; A5-L10 HydrophobicContact CB-CD1 4.1Å
6	P	41.4	Very low	41	Very low	74 Å²	74	113.3 Å²	113.3	48%	0.481	64%	0.641	S	S	.	*			trans	-62	125.7	-177.8	-11.6	24.7	0	0	0	109.1	T8 L9 L10	P6-T8 PolarHBondContact O-N 3.49Å; P6-L9 HydrophobicContact CB-CB 4.5Å; P6-L9 WeakPolarHBondContact O-CB 3.27Å; P6-L9 PolarHBondContact O-N 2.96Å; P6-L10 PolarHBondContact O-N 3.49Å
7	R	46	Very low	40.7	Very low	220 Å²	220	113.1 Å²	113.1	83%	0.83	64%	0.637	S	S	*	*	H	α-helix	trans	-52.9	-26.1	178	-86.8	178	162.9	154.6	-5.3	113.3	A5 L11	A5-R7 PolarHBondContact O-N 2.89Å; R7-L11 WeakPolarHBondContact O-CG 3.28Å; R7-L11 PolarHBondContact O-N 3.38Å
8	T	46.1	Very low	40.5	Very low	100 Å²	100	109.9 Å²	109.9	61%	0.613	63%	0.627	S	S	*	*	H	α-helix	trans	-68.3	-35.8	173.4	29.1	0	0	0	0	113.6	P6 L11 L12	P6-T8 PolarHBondContact O-N 3.49Å; T8-L11 PolarHBondContact O-N 3.19Å; T8-L12 WeakPolarHBondContact O-CG 3.28Å; T8-L12 PolarHBondContact O-N 3.35Å; T8-L12 VanDerWaalsContact O-N 3.11Å
9	L	39.4	Very low	40.4	Very low	100 Å²	100	108.5 Å²	108.5	52%	0.524	62%	0.617	S	S	.	*	H	α-helix	trans	-69.4	-38.1	177.4	-146.2	87.7	0	0	0	111.1	P6 L13	P6-L9 HydrophobicContact CB-CB 4.5Å; P6-L9 WeakPolarHBondContact O-CB 3.27Å; P6-L9 PolarHBondContact O-N 2.96Å; L9-L13 HydrophobicContact CD2-CD1 4.48Å; L9-L13 WeakPolarHBondContact O-CB 3.46Å; L9-L13 WeakPolarHBondContact O-CD1 3.43Å; L9-L13 WeakPolarHBondContact O-CG 3.33Å; L9-L13 PolarHBondContact O-N 3.41Å
10	L	41.5	Very low	40.3	Very low	109 Å²	109	107.6 Å²	107.6	57%	0.571	61%	0.614	S	S	*	*	H	α-helix	trans	-67.1	-35.3	175.6	-104.7	107.9	0	0	0	112.8	A5 P6 S14	A5-L10 HydrophobicContact CB-CD1 4.1Å; P6-L10 PolarHBondContact O-N 3.49Å; L10-S14 WeakPolarHBondContact O-CB 3.49Å; L10-S14 PolarHBondContact O-N 2.9Å; L10-S14 PolarHBondContact O-OG 3.36Å
11	L	48	Very low	40.1	Very low	121 Å²	121	110.4 Å²	110.4	63%	0.634	62%	0.622	S	S	*	*	H	α-helix	trans	-71.4	-39.7	176.9	-75.8	165.4	0	0	0	112.3	R7 T8 S14 G15	R7-L11 WeakPolarHBondContact O-CG 3.28Å; R7-L11 PolarHBondContact O-N 3.38Å; T8-L11 PolarHBondContact O-N 3.19Å; L11-S14 WeakPolarHBondContact CA-OG 3.37Å; L11-S14 PolarHBondContact O-N 3.41Å; L11-S14 PolarHBondContact O-OG 3.48Å; L11-G15 PolarHBondContact O-N 2.98Å
12	L	42.2	Very low	40.5	Very low	131 Å²	131	103.9 Å²	103.9	69%	0.686	60%	0.595	S	S	*	*	H	α-helix	trans	-66.7	-40.6	174.1	-74	166	0	0	0	111.9	T8 G15 A16	T8-L12 WeakPolarHBondContact O-CG 3.28Å; T8-L12 PolarHBondContact O-N 3.35Å; T8-L12 VanDerWaalsContact O-N 3.11Å; L12-G15 PolarHBondContact O-N 3.17Å; L12-A16 VanDerWaalsContact O-CB 3.31Å; L12-A16 WeakPolarHBondContact O-CB 3.33Å; L12-A16 PolarHBondContact O-N 3.39Å
13	L	37.5	Very low	41.1	Very low	100 Å²	100	101.1 Å²	101.1	52%	0.524	56%	0.562	S	S	.	*	H	α-helix	trans	-66.8	-34.6	175	-79.9	160.9	0	0	0	112.5	L9 L17	L9-L13 HydrophobicContact CD2-CD1 4.48Å; L9-L13 WeakPolarHBondContact O-CB 3.46Å; L9-L13 WeakPolarHBondContact O-CD1 3.43Å; L9-L13 WeakPolarHBondContact O-CG 3.33Å; L9-L13 PolarHBondContact O-N 3.41Å; L13-L17 WeakPolarHBondContact O-CB 3.4Å; L13-L17 WeakPolarHBondContact O-CD1 3.3Å; L13-L17 WeakPolarHBondContact O-CG 3.4Å; L13-L17 PolarHBondContact O-N 3.25Å
14	S	40.6	Very low	41.8	Very low	62 Å²	62	97.7 Å²	97.7	43%	0.434	55%	0.549	S	S	.	.	H	α-helix	trans	-77.6	-31.6	176.4	40	0	0	0	0	112.9	L10 L11 A18	L10-S14 WeakPolarHBondContact O-CB 3.49Å; L10-S14 PolarHBondContact O-N 2.9Å; L10-S14 PolarHBondContact O-OG 3.36Å; L11-S14 WeakPolarHBondContact CA-OG 3.37Å; L11-S14 PolarHBondContact O-N 3.41Å; L11-S14 PolarHBondContact O-OG 3.48Å; S14-A18 WeakPolarHBondContact O-CB 3.29Å; S14-A18 PolarHBondContact O-N 3.16Å
15	G	43	Very low	43.5	Very low	33 Å²	33	90.1 Å²	90.1	34%	0.34	52%	0.516	S	S	.	.	H	α-helix	trans	-64.3	-47.4	167.2	0	0	0	0	0	112	L11 L12 A18 L19	L11-G15 PolarHBondContact O-N 2.98Å; L12-G15 PolarHBondContact O-N 3.17Å; G15-A18 PolarHBondContact O-N 3.08Å; G15-L19 WeakPolarHBondContact O-CB 3.35Å; G15-L19 WeakPolarHBondContact O-CD1 3.37Å; G15-L19 PolarHBondContact O-N 2.94Å
16	A	41.3	Very low	45.8	Very low	54 Å²	54	91.1 Å²	91.1	45%	0.446	52%	0.52	S	S	.	.	H	α-helix	trans	-63.6	-41.9	176.2	0	0	0	0	0	112.4	L12 L19 T20	L12-A16 VanDerWaalsContact O-CB 3.31Å; L12-A16 WeakPolarHBondContact O-CB 3.33Å; L12-A16 PolarHBondContact O-N 3.39Å; A16-L19 PolarHBondContact O-N 3.38Å; A16-T20 WeakPolarHBondContact O-CG2 3.26Å; A16-T20 PolarHBondContact O-N 3.05Å; A16-T20 PolarHBondContact O-OG1 2.72Å; A16-T20 VanDerWaalsContact O-OG1 3.14Å
17	L	36.4	Very low	48.4	Very low	110 Å²	110	89.1 Å²	89.1	58%	0.576	51%	0.505	S	S	*	.	H	α-helix	trans	-68.1	-41.7	177.3	-79.2	163.2	0	0	0	112.5	L13 L19 T20 Q21	L13-L17 WeakPolarHBondContact O-CB 3.4Å; L13-L17 WeakPolarHBondContact O-CD1 3.3Å; L13-L17 WeakPolarHBondContact O-CG 3.4Å; L13-L17 PolarHBondContact O-N 3.25Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L17-L19 PolarHBondContact O-N 3.49Å; L17-T20 WeakPolarHBondContact CA-OG1 3.35Å; L17-T20 PolarHBondContact O-N 3.06Å; L17-T20 PolarHBondContact O-OG1 3Å; L17-Q21 PolarHBondContact O-N 3.4Å
18	A	37.3	Very low	50.8	Low	56 Å²	56	79.1 Å²	79.1	46%	0.463	47%	0.468	S	S	.	.	H	α-helix	trans	-63.5	-39	175.8	0	0	0	0	0	111.6	S14 G15 T22	S14-A18 WeakPolarHBondContact O-CB 3.29Å; S14-A18 PolarHBondContact O-N 3.16Å; G15-A18 PolarHBondContact O-N 3.08Å; A18-T22 PolarHBondContact O-N 3.31Å
19	L	38.5	Very low	53.3	Low	83 Å²	83	74.4 Å²	74.4	44%	0.435	44%	0.439	S	S	.	.	H	α-helix	trans	-71.3	-43.5	173.5	-88.3	140	0	0	0	111.9	G15 A16 L17 Q21 T22	G15-L19 WeakPolarHBondContact O-CB 3.35Å; G15-L19 WeakPolarHBondContact O-CD1 3.37Å; G15-L19 PolarHBondContact O-N 2.94Å; A16-L19 PolarHBondContact O-N 3.38Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L17-L19 PolarHBondContact O-N 3.49Å; L19-Q21 PolarHBondContact O-N 2.95Å; L19-Q21 VanDerWaalsContact O-N 3.15Å; L19-T22 PolarHBondContact O-N 3.4Å; L19-T22 PolarHBondContact O-OG1 2.91Å
20	T	38.6	Very low	56.1	Low	90 Å²	90	72.9 Å²	72.9	55%	0.552	43%	0.427	S	S	*	.	H	α-helix	trans	-62.2	-26.8	175.8	53.1	0	0	0	0	113.3	A16 L17	A16-T20 WeakPolarHBondContact O-CG2 3.26Å; A16-T20 PolarHBondContact O-N 3.05Å; A16-T20 PolarHBondContact O-OG1 2.72Å; A16-T20 VanDerWaalsContact O-OG1 3.14Å; L17-T20 WeakPolarHBondContact CA-OG1 3.35Å; L17-T20 PolarHBondContact O-N 3.06Å; L17-T20 PolarHBondContact O-OG1 3Å
21	Q	36.5	Very low	58.8	Low	167 Å²	167	68 Å²	68	78%	0.78	40%	0.401	S	S	*	.	H	α-helix	trans	-72.9	-25.1	175.2	-113.8	177.8	-5.9	0	0	113.4	L17 L19	L17-Q21 PolarHBondContact O-N 3.4Å; L19-Q21 PolarHBondContact O-N 2.95Å; L19-Q21 VanDerWaalsContact O-N 3.15Å
22	T	42.8	Very low	61.3	Low	99 Å²	99	66.2 Å²	66.2	61%	0.607	39%	0.388	S	S	*	.	H	α-helix	trans	-82.9	-12.1	179.8	57.3	0	0	0	0	113.7	A18 L19	A18-T22 PolarHBondContact O-N 3.31Å; L19-T22 PolarHBondContact O-N 3.4Å; L19-T22 PolarHBondContact O-OG1 2.91Å
23	W	47.3	Very low	63.9	Low	45 Å²	45	60.2 Å²	60.2	17%	0.17	36%	0.357	C	S	.	.	S	Bend	trans	-101.6	-9.6	-175.7	-69.7	64.1	0	0	0	113.8	G25 E236 Q286 E288	W23-G25 PolarHBondContact O-N 2.88Å; W23-E236 HydrophobicContact CH2-CG 4.3Å; W23-E236 WeakPolarHBondContact CZ3-O 3.49Å; W23-Q286 WeakPolarHBondContact CH2-O 3.46Å; W23-Q286 HydrophobicContact CZ2-CB 4.35Å; W23-E288 HydrophobicContact CB-CG 4.48Å; W23-E288 HydrophobicContact CE3-CB 3.62Å; W23-E288 HydrophobicContact CE3-CG 4.29Å; W23-E288 HydrophobicContact CZ3-CB 4.11Å; W23-E288 WeakPolarHBondContact O-CG 3.48Å
24	A	53.3	Low	66.9	Low	67 Å²	67	57.5 Å²	57.5	55%	0.554	34%	0.344	S	S	*	.	S	Bend	trans	-90.7	90	-177.2	0	0	0	0	0	112.5	S26	A24-S26 PolarHBondContact O-N 3.45Å
25	G	73.6	Confident	69.6	Low	20 Å²	20	54.7 Å²	54.7	21%	0.206	32%	0.324	C	S	.	.			trans	76.1	26	146.5	0	0	0	0	0	118.4	W23 G128 S129	W23-G25 PolarHBondContact O-N 2.88Å; G25-G128 CarbonylContact O-C 3.46Å; G25-S129 WeakPolarHBondContact O-CA 3.34Å; G25-S129 WeakPolarHBondContact O-CB 3.38Å; G25-S129 PolarHBondContact O-N 3.44Å; G25-S129 VanDerWaalsContact O-N 3.12Å
26	S	90.8	Very high	72.3	Confident	72 Å²	72	55.5 Å²	55.5	50%	0.503	32%	0.323	S	S	.	.			trans	-79.9	143.3	163.9	59.2	0	0	0	0	110.6	A24 V127	A24-S26 PolarHBondContact O-N 3.45Å; S26-V127 CarbonylContact C-O 3.59Å; S26-V127 VanDerWaalsContact CA-O 3.24Å; S26-V127 WeakPolarHBondContact CA-O 3.39Å; S26-V127 WeakPolarHBondContact CB-O 3.11Å
27	H	95.1	Very high	75	Confident	32 Å²	32	53.8 Å²	53.8	15%	0.148	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	156.6	176.5	-66.7	-77.4	0	0	0	110.7	D53 D126 V127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.27Å; H27-D53 WeakPolarHBondContact CA-OD1 3.43Å; H27-D53 IonicContact CE1-OD2 3.25Å; H27-D53 IonicContact CG-OD2 3.75Å; H27-D53 IonicContact ND1-OD1 2.71Å; H27-D53 IonicContact ND1-OD2 3.56Å; H27-D53 PolarHBondContact ND1-OD2 2.91Å; H27-D126 CarbonylContact O-C 3.53Å; H27-D126 WeakPolarHBondContact O-CA 3.38Å; H27-V127 HydrophobicContact CB-CG2 3.96Å; H27-V127 PolarHBondContact N-O 3.23Å; H27-V127 PolarHBondContact O-N 3.26Å; H27-L192 HydrophobicContact CB-CD1 4.44Å; H27-L196 HydrophobicContact CB-CD1 3.64Å; H27-L196 HydrophobicContact CB-CD2 3.97Å; H27-L196 HydrophobicContact CB-CG 4.39Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.34Å
28	S	97.3	Very high	77.8	Confident	10 Å²	10	52 Å²	52	7%	0.07	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	146.1	-178.2	61.9	0	0	0	0	111.7	R30 V52 D53 C125 D126	S28-R30 PolarHBondContact OG-NH1 2.95Å; S28-V52 CarbonylContact O-C 3.54Å; S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 3.27Å; S28-D53 PolarHBondContact N-OD1 2.95Å; S28-D53 PolarHBondContact O-N 3.35Å; S28-D53 PolarHBondContact OG-OD1 3.42Å; S28-C125 WeakPolarHBondContact CA-O 3.18Å; S28-D126 WeakPolarHBondContact CB-OD1 3.49Å
29	M	98.4	Very high	80.5	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	124.7	167	-174.7	169.5	60.7	0	0	108.5	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.21Å; M29-Y31 HydrophobicContact CG-CE2 4.12Å; M29-Y31 HydrophobicContact SD-CE2 4.04Å; M29-Y51 CarbonylContact C-O 3.54Å; M29-Y51 WeakPolarHBondContact CA-O 3.23Å; M29-V52 HydrophobicContact CG-CG2 4.39Å; M29-F57 HydrophobicContact CG-CE1 4.38Å; M29-F57 HydrophobicContact SD-CZ 4.22Å; M29-G124 CarbonylContact O-C 3.58Å; M29-G124 WeakPolarHBondContact O-CA 3.49Å; M29-C125 PolarHBondContact N-O 3.35Å; M29-C125 PolarHBondContact O-N 3.06Å; M29-C188 HydrophobicContact CE-CB 4.13Å; M29-C188 WeakPolarHBondContact CE-O 3.47Å; M29-C188 WeakPolarHBondContact CE-SG 3.14Å; M29-W191 HydrophobicContact CE-CB 4.03Å; M29-W191 HydrophobicContact SD-CB 4.49Å; M29-L192 HydrophobicContact CB-CB 4.11Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 4.12Å; M29-L192 HydrophobicContact CB-CG 4.3Å; M29-L192 HydrophobicContact CE-CB 4.41Å; M29-Y195 HydrophobicContact SD-CD2 3.71Å; M29-Y195 HydrophobicContact SD-CE2 3.53Å; M29-Y195 VanDerWaalsContact SD-CE2 3.53Å
30	R	98.5	Very high	83	Confident	68 Å²	68	52.5 Å²	52.5	26%	0.257	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	135.5	-179.6	-61.7	-166.7	-176.9	87.2	10.5	111.6	S28 F32 G50 Y51 Y123 D126	S28-R30 PolarHBondContact OG-NH1 2.95Å; R30-F32 HydrophobicContact CB-CD2 4.43Å; R30-F32 HydrophobicContact CB-CE2 3.62Å; R30-F32 HydrophobicContact CB-CZ 3.94Å; R30-G50 CarbonylContact O-C 3.57Å; R30-G50 WeakPolarHBondContact O-CA 3.33Å; R30-Y51 PolarHBondContact N-O 3.07Å; R30-Y51 PolarHBondContact O-N 3.3Å; R30-Y123 WeakPolarHBondContact CA-O 3.49Å; R30-D126 IonicContact CZ-OD1 3.61Å; R30-D126 IonicContact NH2-OD1 3.45Å; R30-D126 PolarHBondContact NH2-OD1 3.26Å; R30-D126 IonicContact NH2-OD2 3.73Å
31	Y	98.7	Very high	85.6	Confident	7 Å²	7	58.1 Å²	58.1	3%	0.027	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	136.7	169.2	-70.2	-87	0	0	0	109.4	M29 F33 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.21Å; M29-Y31 HydrophobicContact CG-CE2 4.12Å; M29-Y31 HydrophobicContact SD-CE2 4.04Å; Y31-F33 HydrophobicContact CD1-CE1 4.35Å; Y31-V49 CarbonylContact C-O 3.55Å; Y31-V49 WeakPolarHBondContact CA-O 3.45Å; Y31-F57 AromaticContact CE1-CZ 3.99Å; Y31-F57 HydrophobicContact CE1-CZ 3.99Å; Y31-F57 AromaticContact CZ-CZ 3.74Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.37Å; Y31-V58 HydrophobicContact CE1-CG2 3.95Å; Y31-M122 WeakPolarHBondContact O-CA 3.33Å; Y31-Y123 AromaticContact CD2-CE2 3.76Å; Y31-Y123 HydrophobicContact CD2-CE2 3.76Å; Y31-Y123 AromaticContact CD2-CZ 3.85Å; Y31-Y123 HydrophobicContact CG-CE1 4.34Å; Y31-Y123 HydrophobicContact CG-CE2 4.21Å; Y31-Y123 AromaticContact CG-CZ 3.83Å; Y31-Y123 PolarHBondContact N-O 3.19Å; Y31-Y123 PolarHBondContact O-N 3.18Å; Y31-Y123 VanDerWaalsContact O-N 3.09Å
32	F	98.8	Very high	88.3	Confident	83 Å²	83	53 Å²	53	36%	0.364	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	120.4	176.4	-57.4	-95.2	0	0	0	109	R30 A48 V49 Y51 I121 M122	R30-F32 HydrophobicContact CB-CD2 4.43Å; R30-F32 HydrophobicContact CB-CE2 3.62Å; R30-F32 HydrophobicContact CB-CZ 3.94Å; F32-A48 WeakPolarHBondContact O-CA 3.36Å; F32-V49 HydrophobicContact CB-CG2 3.83Å; F32-V49 HydrophobicContact CD2-CG2 4.32Å; F32-V49 PolarHBondContact N-O 3Å; F32-V49 PolarHBondContact O-N 2.99Å; F32-Y51 HydrophobicContact CD2-CD2 4.2Å; F32-Y51 HydrophobicContact CE2-CD2 4.24Å; F32-I121 CarbonylContact C-O 3.59Å; F32-I121 VanDerWaalsContact CA-O 3.32Å; F32-I121 WeakPolarHBondContact CA-O 3.48Å; F32-M122 HydrophobicContact CD1-CB 3.9Å; F32-M122 HydrophobicContact CD1-CG 3.67Å; F32-M122 HydrophobicContact CE1-CB 4.03Å; F32-M122 HydrophobicContact CE1-CG 3.35Å; F32-M122 HydrophobicContact CZ-CG 3.99Å
33	F	98.8	Very high	90.7	Very high	6 Å²	6	53.2 Å²	53.2	3%	0.026	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	142.8	174.8	-52.4	-23.8	0	0	0	109.7	Y31 F46 I47 A48 Q94 Q120 I121 Y123	Y31-F33 HydrophobicContact CD1-CE1 4.35Å; F33-F46 HydrophobicContact CB-CE2 3.98Å; F33-F46 HydrophobicContact CB-CZ 3.98Å; F33-F46 HydrophobicContact CD1-CZ 4.21Å; F33-F46 HydrophobicContact CD2-CE2 4.42Å; F33-F46 HydrophobicContact CD2-CZ 4.08Å; F33-F46 HydrophobicContact CG-CE2 4.27Å; F33-F46 AromaticContact CG-CZ 3.84Å; F33-F46 HydrophobicContact CG-CZ 3.84Å; F33-I47 CarbonylContact C-O 3.56Å; F33-I47 WeakPolarHBondContact CA-O 3.47Å; F33-A48 HydrophobicContact CD1-CB 3.26Å; F33-A48 HydrophobicContact CE1-CB 3.44Å; F33-A48 VanDerWaalsContact CE1-CB 3.44Å; F33-A48 HydrophobicContact CG-CB 4.26Å; F33-A48 HydrophobicContact CZ-CB 4.5Å; F33-Q94 HydrophobicContact CD2-CG 3.63Å; F33-Q94 HydrophobicContact CE2-CB 4.33Å; F33-Q94 HydrophobicContact CE2-CG 3.68Å; F33-Q120 WeakPolarHBondContact O-CA 3.4Å; F33-I121 HydrophobicContact CB-CB 4.22Å; F33-I121 HydrophobicContact CD2-CG2 4.43Å; F33-I121 PolarHBondContact N-O 2.85Å; F33-I121 PolarHBondContact O-N 3.17Å; F33-Y123 HydrophobicContact CD2-CE1 4.11Å; F33-Y123 HydrophobicContact CE1-CE1 4.19Å; F33-Y123 AromaticContact CE2-CE1 3.45Å; F33-Y123 HydrophobicContact CE2-CE1 3.45Å; F33-Y123 VanDerWaalsContact CE2-CE1 3.45Å; F33-Y123 AromaticContact CZ-CE1 3.51Å; F33-Y123 HydrophobicContact CZ-CE1 3.51Å; F33-Y123 AromaticContact CZ-CZ 3.81Å; F33-Y123 WeakPolarHBondContact CZ-OH 3.35Å
34	T	98.8	Very high	93.1	Very high	43 Å²	43	52.3 Å²	52.3	26%	0.264	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	122.6	176.8	-60	0	0	0	0	109.6	V36 F46 I47 T118 I119 Q120	T34-V36 HydrophobicContact CG2-CG2 4.03Å; T34-F46 WeakPolarHBondContact O-CA 3.16Å; T34-I47 PolarHBondContact N-O 3.21Å; T34-I47 PolarHBondContact O-N 3.42Å; T34-T118 HydrophobicContact CG2-CG2 4.09Å; T34-I119 WeakPolarHBondContact CA-O 3.17Å; T34-Q120 HydrophobicContact CG2-CG 4.11Å
35	S	98.7	Very high	95.3	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.014	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	116.2	-177.2	-71.1	0	0	0	0	109.9	R45 F46 D98 T118 I119	S35-R45 CarbonylContact C-O 3.52Å; S35-R45 WeakPolarHBondContact CA-O 3.16Å; S35-F46 WeakPolarHBondContact OG-CD2 3.48Å; S35-D98 WeakPolarHBondContact CB-OD2 3.43Å; S35-D98 VanDerWaalsContact OG-CB 3.23Å; S35-D98 WeakPolarHBondContact OG-CB 3.4Å; S35-D98 PolarHBondContact OG-OD2 3.13Å; S35-T118 CarbonylContact O-C 3.54Å; S35-T118 VanDerWaalsContact O-CA 3.29Å; S35-T118 WeakPolarHBondContact O-CA 3.36Å; S35-I119 PolarHBondContact N-O 3.04Å; S35-I119 PolarHBondContact O-N 3.47Å
36	V	98.6	Very high	96.5	Very high	51 Å²	51	52.6 Å²	52.6	31%	0.309	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	112.2	-176.2	-173.6	0	0	0	0	109.5	T34 P44 R45 T118	T34-V36 HydrophobicContact CG2-CG2 4.03Å; V36-P44 CarbonylContact O-C 3.53Å; V36-P44 WeakPolarHBondContact O-CA 3.34Å; V36-R45 PolarHBondContact N-O 3.26Å; V36-R45 PolarHBondContact O-N 3.45Å; V36-T118 HydrophobicContact CG2-CG2 4.15Å
37	S	97.9	Very high	96.8	Very high	17 Å²	17	51.3 Å²	51.3	12%	0.119	28%	0.277	C	S	.	.			trans	-68.7	141.7	173.6	56.3	0	0	0	0	111	S116 H117	S37-S116 WeakPolarHBondContact O-CB 3.47Å; S37-S116 PolarHBondContact O-OG 2.8Å; S37-H117 PolarHBondContact N-O 2.93Å; S37-H117 WeakPolarHBondContact OG-CA 3.29Å; S37-H117 PolarHBondContact OG-N 2.61Å; S37-H117 PolarHBondContact OG-O 3.29Å
38	R	96.3	Very high	97	Very high	74 Å²	74	49.8 Å²	49.8	28%	0.279	27%	0.27	S	S	.	.			trans	-133	74.2	-177.6	54.9	175	176.1	-158.2	-11.9	111.5	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 2.93Å; R38-R41 HydrophobicContact CB-CB 4.1Å; R38-R41 WeakPolarHBondContact CD-O 3.48Å; R38-R41 HydrophobicContact CG-CB 4.14Å; R38-R41 PolarHBondContact NE-O 2.98Å; R38-R41 VanDerWaalsContact NE-O 3.16Å; R38-R41 PolarHBondContact O-N 3Å; R38-E43 WeakPolarHBondContact CG-O 3.35Å; R38-E43 VanDerWaalsContact CZ-O 3.23Å; R38-E43 PolarHBondContact NE-O 3.05Å; R38-E43 PolarHBondContact NH2-O 3.32Å; R38-D63 IonicContact CZ-OD1 2.95Å; R38-D63 IonicContact CZ-OD2 2.77Å; R38-D63 IonicContact NH1-OD1 3.56Å; R38-D63 PolarHBondContact NH1-OD1 3.43Å; R38-D63 IonicContact NH1-OD2 3.87Å; R38-D63 PolarHBondContact NH1-OD2 3.33Å; R38-D63 IonicContact NH2-OD1 3.96Å; R38-D63 PolarHBondContact NH2-OD1 3.48Å; R38-D63 IonicContact NH2-OD2 3.66Å
39	P	93	Very high	97.1	Very high	58 Å²	58	50.7 Å²	50.7	38%	0.377	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	129.5	-177	-26.6	33.4	0	0	0	112.6	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.47Å; P39-E113 WeakPolarHBondContact CB-O 3.5Å; P39-E113 VanDerWaalsContact CG-O 3.27Å; P39-E113 WeakPolarHBondContact CG-O 3.47Å; P39-G115 WeakPolarHBondContact CG-O 3.17Å
40	G	91.5	Very high	97.1	Very high	90 Å²	90	50.6 Å²	50.6	93%	0.928	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	3.7	-178.3	0	0	0	0	0	115.9	R38	R38-G40 PolarHBondContact O-N 2.93Å
41	R	93.8	Very high	97.1	Very high	208 Å²	208	50.6 Å²	50.6	79%	0.785	28%	0.275	S	S	*	.	S	Bend	trans	-124.5	22.9	179.8	-60	-175.3	-179.2	176.6	1.2	113.5	R38 P39	R38-R41 HydrophobicContact CB-CB 4.1Å; R38-R41 WeakPolarHBondContact CD-O 3.48Å; R38-R41 HydrophobicContact CG-CB 4.14Å; R38-R41 PolarHBondContact NE-O 2.98Å; R38-R41 VanDerWaalsContact NE-O 3.16Å; R38-R41 PolarHBondContact O-N 3Å; P39-R41 PolarHBondContact O-N 3.47Å
42	G	92.1	Very high	97.1	Very high	59 Å²	59	50.2 Å²	50.2	61%	0.608	27%	0.274	S	S	*	.	S	Bend	trans	95.9	-162.6	178.9	0	0	0	0	0	113.7
43	E	94.5	Very high	96.9	Very high	105 Å²	105	47.6 Å²	47.6	49%	0.491	26%	0.263	S	S	.	.	S	Bend	trans	-66.5	152.3	-178.2	-64.7	-61.8	160.1	0	0	112.2	R38 R45 R99	R38-E43 WeakPolarHBondContact CG-O 3.35Å; R38-E43 VanDerWaalsContact CZ-O 3.23Å; R38-E43 PolarHBondContact NE-O 3.05Å; R38-E43 PolarHBondContact NH2-O 3.32Å; E43-R45 PolarHBondContact O-N 2.98Å; E43-R99 IonicContact OE1-CZ 3.64Å; E43-R99 IonicContact OE1-NH1 3.19Å; E43-R99 PolarHBondContact OE1-NH1 3.47Å; E43-R99 VanDerWaalsContact OE2-CD 3.25Å; E43-R99 WeakPolarHBondContact OE2-CD 3.38Å; E43-R99 IonicContact OE2-CZ 3.75Å; E43-R99 IonicContact OE2-NE 3.47Å; E43-R99 IonicContact OE2-NH1 2.82Å; E43-R99 PolarHBondContact OE2-NH1 2.87Å
44	P	97.2	Very high	96.7	Very high	25 Å²	25	50.4 Å²	50.4	16%	0.162	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-50.5	138.6	173.3	-25.7	34.8	0	0	0	112.2	V36 R99 L102	V36-P44 CarbonylContact O-C 3.53Å; V36-P44 WeakPolarHBondContact O-CA 3.34Å; P44-R99 HydrophobicContact CG-CB 4.43Å; P44-R99 HydrophobicContact CG-CG 4.23Å; P44-L102 HydrophobicContact CB-CD1 3.58Å; P44-L102 HydrophobicContact CG-CD1 3.68Å
45	R	98.3	Very high	96.5	Very high	92 Å²	92	49.4 Å²	49.4	35%	0.347	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	127.4	172.9	-175.3	-179.7	-178.4	-175.2	0.4	108.7	S35 V36 E43 I47 D61 S62 D63	S35-R45 CarbonylContact C-O 3.52Å; S35-R45 WeakPolarHBondContact CA-O 3.16Å; V36-R45 PolarHBondContact N-O 3.26Å; V36-R45 PolarHBondContact O-N 3.45Å; E43-R45 PolarHBondContact O-N 2.98Å; R45-I47 HydrophobicContact CG-CG1 4.38Å; R45-D61 IonicContact CZ-OD1 3.98Å; R45-D61 IonicContact CZ-OD2 3.71Å; R45-D61 IonicContact NE-OD1 2.67Å; R45-D61 PolarHBondContact NE-OD1 3.25Å; R45-D61 VanDerWaalsContact NE-OD1 3.11Å; R45-D61 IonicContact NE-OD2 3.76Å; R45-D61 IonicContact NH2-OD1 2.8Å; R45-D61 IonicContact NH2-OD2 3.94Å; R45-D61 PolarHBondContact NH2-OD2 3.19Å; R45-S62 WeakPolarHBondContact CA-OG 3.36Å; R45-D63 WeakPolarHBondContact CD-OD2 3.5Å; R45-D63 IonicContact NE-OD2 3.47Å
46	F	98.7	Very high	96.5	Very high	1 Å²	1	51.7 Å²	51.7	0%	0.004	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	126	177.3	178.3	-85.5	0	0	0	109.6	F33 T34 S35 A48 F60 S62 V91 Q94 S95 D98	F33-F46 HydrophobicContact CB-CE2 3.98Å; F33-F46 HydrophobicContact CB-CZ 3.98Å; F33-F46 HydrophobicContact CD1-CZ 4.21Å; F33-F46 HydrophobicContact CD2-CE2 4.42Å; F33-F46 HydrophobicContact CD2-CZ 4.08Å; F33-F46 HydrophobicContact CG-CE2 4.27Å; F33-F46 AromaticContact CG-CZ 3.84Å; F33-F46 HydrophobicContact CG-CZ 3.84Å; T34-F46 WeakPolarHBondContact O-CA 3.16Å; S35-F46 WeakPolarHBondContact OG-CD2 3.48Å; F46-A48 HydrophobicContact CE1-CB 3.62Å; F46-A48 HydrophobicContact CZ-CB 4.03Å; F46-F60 AromaticContact CD1-CD1 3.69Å; F46-F60 HydrophobicContact CD1-CD1 3.69Å; F46-F60 AromaticContact CD1-CE1 3.8Å; F46-F60 HydrophobicContact CD1-CE1 3.8Å; F46-F60 HydrophobicContact CE1-CD1 4.01Å; F46-F60 HydrophobicContact CE1-CE1 4.39Å; F46-S62 PolarHBondContact N-OG 2.77Å; F46-S62 PolarHBondContact O-N 2.7Å; F46-S62 PolarHBondContact O-OG 3.47Å; F46-V91 HydrophobicContact CE1-CB 4.14Å; F46-Q94 HydrophobicContact CE2-CB 4.41Å; F46-Q94 HydrophobicContact CE2-CG 3.98Å; F46-Q94 HydrophobicContact CZ-CB 4.23Å; F46-Q94 HydrophobicContact CZ-CG 4.08Å; F46-S95 WeakPolarHBondContact CB-OG 3.38Å; F46-D98 HydrophobicContact CD2-CB 4.44Å
47	I	98.8	Very high	96.4	Very high	45 Å²	45	49.3 Å²	49.3	23%	0.231	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.8	174	-59.2	173.9	0	0	0	107.6	F33 T34 R45 V49 F60	F33-I47 CarbonylContact C-O 3.56Å; F33-I47 WeakPolarHBondContact CA-O 3.47Å; T34-I47 PolarHBondContact N-O 3.21Å; T34-I47 PolarHBondContact O-N 3.42Å; R45-I47 HydrophobicContact CG-CG1 4.38Å; I47-V49 HydrophobicContact CG2-CG1 4.36Å; I47-F60 WeakPolarHBondContact CA-O 3.39Å
48	A	98.8	Very high	96.5	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.008	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	137.4	171.2	0	0	0	0	0	110.2	F32 F33 F46 R59 F60 V91	F32-A48 WeakPolarHBondContact O-CA 3.36Å; F33-A48 HydrophobicContact CD1-CB 3.26Å; F33-A48 HydrophobicContact CE1-CB 3.44Å; F33-A48 VanDerWaalsContact CE1-CB 3.44Å; F33-A48 HydrophobicContact CG-CB 4.26Å; F33-A48 HydrophobicContact CZ-CB 4.5Å; F46-A48 HydrophobicContact CE1-CB 3.62Å; F46-A48 HydrophobicContact CZ-CB 4.03Å; A48-R59 CarbonylContact O-C 3.56Å; A48-R59 VanDerWaalsContact O-CA 3.29Å; A48-R59 WeakPolarHBondContact O-CA 3.46Å; A48-F60 HydrophobicContact CB-CB 4.24Å; A48-F60 PolarHBondContact N-O 2.87Å; A48-F60 PolarHBondContact O-N 3.16Å; A48-V91 HydrophobicContact CB-CG1 4.19Å
49	V	98.8	Very high	96.6	Very high	28 Å²	28	49 Å²	49	17%	0.17	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	143	173.6	-62.6	0	0	0	0	109.9	Y31 F32 I47 Y51 Q56 V58 R59	Y31-V49 CarbonylContact C-O 3.55Å; Y31-V49 WeakPolarHBondContact CA-O 3.45Å; F32-V49 HydrophobicContact CB-CG2 3.83Å; F32-V49 HydrophobicContact CD2-CG2 4.32Å; F32-V49 PolarHBondContact N-O 3Å; F32-V49 PolarHBondContact O-N 2.99Å; I47-V49 HydrophobicContact CG2-CG1 4.36Å; V49-Y51 HydrophobicContact CB-CE2 4.1Å; V49-Y51 HydrophobicContact CG2-CD2 4.35Å; V49-Y51 HydrophobicContact CG2-CE2 3.85Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.28Å; V49-V58 WeakPolarHBondContact CA-O 3.46Å; V49-R59 HydrophobicContact CG1-CB 4.48Å; V49-R59 HydrophobicContact CG1-CG 4.2Å
50	G	98.6	Very high	96.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	138.3	175.9	0	0	0	0	0	110.7	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.57Å; R30-G50 WeakPolarHBondContact O-CA 3.33Å; G50-Q56 WeakPolarHBondContact O-CA 3.48Å; G50-F57 WeakPolarHBondContact O-CD1 3.37Å; G50-F57 PolarHBondContact O-N 2.7Å; G50-V58 PolarHBondContact N-O 2.98Å; G50-V58 VanDerWaalsContact N-O 3.11Å
51	Y	98.5	Very high	97.2	Very high	67 Å²	67	43 Å²	43	26%	0.263	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	141.1	178.1	-76.4	-102.6	0	0	0	110.6	M29 R30 F32 V49 T55 Q56	M29-Y51 CarbonylContact C-O 3.54Å; M29-Y51 WeakPolarHBondContact CA-O 3.23Å; R30-Y51 PolarHBondContact N-O 3.07Å; R30-Y51 PolarHBondContact O-N 3.3Å; F32-Y51 HydrophobicContact CD2-CD2 4.2Å; F32-Y51 HydrophobicContact CE2-CD2 4.24Å; V49-Y51 HydrophobicContact CB-CE2 4.1Å; V49-Y51 HydrophobicContact CG2-CD2 4.35Å; V49-Y51 HydrophobicContact CG2-CE2 3.85Å; Y51-T55 WeakPolarHBondContact CA-O 3.25Å; Y51-T55 VanDerWaalsContact CD1-C 3.48Å; Y51-Q56 HydrophobicContact CD1-CB 4.02Å; Y51-Q56 VanDerWaalsContact CD1-N 3.31Å; Y51-Q56 HydrophobicContact CD2-CG 4.36Å; Y51-Q56 HydrophobicContact CE1-CB 3.53Å; Y51-Q56 HydrophobicContact CE1-CG 4.27Å; Y51-Q56 HydrophobicContact CE2-CB 4.06Å; Y51-Q56 HydrophobicContact CE2-CG 3.86Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å
52	V	98	Very high	97.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	119	156.4	177.5	0	0	0	0	106	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.54Å; S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 3.27Å; M29-V52 HydrophobicContact CG-CG2 4.39Å; V52-D54 PolarHBondContact O-N 3.36Å; V52-T55 PolarHBondContact N-O 3Å; V52-T55 WeakPolarHBondContact O-CB 3.32Å; V52-T55 PolarHBondContact O-N 3.02Å; V52-F57 HydrophobicContact CG2-CD1 3.98Å; V52-F57 HydrophobicContact CG2-CE1 4.01Å; V52-W75 HydrophobicContact CB-CH2 4.48Å; V52-W75 HydrophobicContact CG2-CH2 3.94Å; V52-W75 HydrophobicContact CG2-CZ2 4.5Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.25Å; V52-Y195 HydrophobicContact CG2-CD2 3.98Å; V52-L196 HydrophobicContact CG1-CD2 4.04Å; V52-L203 HydrophobicContact CB-CD1 4.25Å; V52-L203 HydrophobicContact CB-CD2 4.09Å; V52-L203 HydrophobicContact CG1-CD1 3.9Å; V52-L203 HydrophobicContact CG1-CD2 4.08Å; V52-L203 HydrophobicContact CG1-CG 4.5Å
53	D	95.3	Very high	97.6	Very high	27 Å²	27	34.6 Å²	34.6	14%	0.144	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	-120.8	-167.4	-54.1	-40.5	0	0	0	110.8	H27 S28	H27-D53 VanDerWaalsContact CA-OD1 3.27Å; H27-D53 WeakPolarHBondContact CA-OD1 3.43Å; H27-D53 IonicContact CE1-OD2 3.25Å; H27-D53 IonicContact CG-OD2 3.75Å; H27-D53 IonicContact ND1-OD1 2.71Å; H27-D53 IonicContact ND1-OD2 3.56Å; H27-D53 PolarHBondContact ND1-OD2 2.91Å; S28-D53 PolarHBondContact N-OD1 2.95Å; S28-D53 PolarHBondContact O-N 3.35Å; S28-D53 PolarHBondContact OG-OD1 3.42Å
54	D	94.3	Very high	97.7	Very high	66 Å²	66	31 Å²	31	35%	0.353	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	7.5	179.5	-59.4	-52.5	0	0	0	113.3	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.36Å; D54-Y233 HydrophobicContact CB-CE2 4.19Å; D54-P234 WeakPolarHBondContact OD2-CB 3.48Å; D54-A235 HydrophobicContact CB-CB 4.31Å; D54-A235 VanDerWaalsContact OD2-CB 3.29Å; D54-A235 WeakPolarHBondContact OD2-CB 3.49Å; D54-A235 PolarHBondContact OD2-N 3.47Å; D54-F265 HydrophobicContact CB-CE2 3.83Å; D54-F265 HydrophobicContact CB-CZ 3.68Å
55	T	95.6	Very high	97.7	Very high	22 Å²	22	35.3 Å²	35.3	14%	0.135	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	114.2	-175.9	-61.7	0	0	0	0	111.8	Y51 V52 F57 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.25Å; Y51-T55 VanDerWaalsContact CD1-C 3.48Å; V52-T55 PolarHBondContact N-O 3Å; V52-T55 WeakPolarHBondContact O-CB 3.32Å; V52-T55 PolarHBondContact O-N 3.02Å; T55-F57 PolarHBondContact O-N 3.41Å; T55-L203 HydrophobicContact CG2-CD2 4.02Å; T55-Y233 PolarHBondContact OG1-OH 3.2Å; T55-Y233 VanDerWaalsContact OG1-OH 3.09Å
56	Q	97.3	Very high	97.4	Very high	50 Å²	50	33.6 Å²	33.6	23%	0.234	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	130.4	173.6	-167	178.6	1.5	0	0	110.6	V49 G50 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.28Å; G50-Q56 WeakPolarHBondContact O-CA 3.48Å; Y51-Q56 HydrophobicContact CD1-CB 4.02Å; Y51-Q56 VanDerWaalsContact CD1-N 3.31Å; Y51-Q56 HydrophobicContact CD2-CG 4.36Å; Y51-Q56 HydrophobicContact CE1-CB 3.53Å; Y51-Q56 HydrophobicContact CE1-CG 4.27Å; Y51-Q56 HydrophobicContact CE2-CB 4.06Å; Y51-Q56 HydrophobicContact CE2-CG 3.86Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å; Q56-V58 PolarHBondContact NE2-O 3Å; Q56-R72 HydrophobicContact CG-CB 4.15Å; Q56-R72 HydrophobicContact CG-CG 4.39Å
57	F	98.1	Very high	97.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	-23.3	-179.6	74.2	-83.1	0	0	0	114.5	M29 Y31 G50 V52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.38Å; M29-F57 HydrophobicContact SD-CZ 4.22Å; Y31-F57 AromaticContact CE1-CZ 3.99Å; Y31-F57 HydrophobicContact CE1-CZ 3.99Å; Y31-F57 AromaticContact CZ-CZ 3.74Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.37Å; G50-F57 WeakPolarHBondContact O-CD1 3.37Å; G50-F57 PolarHBondContact O-N 2.7Å; V52-F57 HydrophobicContact CG2-CD1 3.98Å; V52-F57 HydrophobicContact CG2-CE1 4.01Å; T55-F57 PolarHBondContact O-N 3.41Å; F57-R72 PolarHBondContact O-N 3.08Å; F57-A73 HydrophobicContact CB-CB 4.13Å; F57-W75 HydrophobicContact CB-CH2 3.13Å; F57-W75 HydrophobicContact CB-CZ2 3.33Å; F57-W75 HydrophobicContact CB-CZ3 3.97Å; F57-W75 HydrophobicContact CD1-CH2 4.08Å; F57-W75 AromaticContact CD2-CH2 3.84Å; F57-W75 HydrophobicContact CD2-CH2 3.84Å; F57-W75 HydrophobicContact CD2-CZ3 4.14Å; F57-W75 AromaticContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CH2 3.45Å; F57-W75 VanDerWaalsContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CZ2 4.12Å; F57-W75 HydrophobicContact CG-CZ3 4.2Å; F57-I76 HydrophobicContact CD2-CB 4.48Å; F57-I76 HydrophobicContact CD2-CD1 4Å; F57-I76 HydrophobicContact CD2-CG1 4.05Å; F57-I76 HydrophobicContact CE2-CD1 4.37Å; F57-I76 VanDerWaalsContact O-CG2 3.27Å; F57-I76 WeakPolarHBondContact O-CG2 3.33Å; F57-Y195 HydrophobicContact CD2-CE2 4.44Å; F57-Y195 HydrophobicContact CE2-CD2 4.24Å; F57-Y195 AromaticContact CE2-CE2 3.65Å; F57-Y195 HydrophobicContact CE2-CE2 3.65Å; F57-Y195 HydrophobicContact CZ-CD2 4.3Å; F57-Y195 AromaticContact CZ-CE2 3.83Å; F57-Y195 HydrophobicContact CZ-CE2 3.83Å
58	V	98.5	Very high	97.2	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	155.5	177	-72.6	0	0	0	0	112.7	Y31 V49 G50 Q56 M69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 3.95Å; V49-V58 WeakPolarHBondContact CA-O 3.46Å; G50-V58 PolarHBondContact N-O 2.98Å; G50-V58 VanDerWaalsContact N-O 3.11Å; Q56-V58 PolarHBondContact NE2-O 3Å; V58-M69 HydrophobicContact CB-CG 4.09Å; V58-M69 HydrophobicContact CB-SD 3.68Å; V58-M69 HydrophobicContact CG1-CG 4.14Å; V58-M69 HydrophobicContact CG1-SD 4.39Å; V58-M69 HydrophobicContact CG2-CE 4.43Å; V58-M69 HydrophobicContact CG2-SD 4.13Å; V58-E70 WeakPolarHBondContact CA-O 3.4Å; V58-I76 HydrophobicContact CG1-CG1 4.36Å; V58-W84 HydrophobicContact CG1-CH2 4.13Å; V58-W84 HydrophobicContact CG1-CZ3 3.9Å
59	R	98.5	Very high	97.2	Very high	83 Å²	83	41.7 Å²	41.7	31%	0.313	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	142.9	173.8	179.8	173.4	171.6	152.6	-0.3	111.6	A48 V49 D61 E70 R72	A48-R59 CarbonylContact O-C 3.56Å; A48-R59 VanDerWaalsContact O-CA 3.29Å; A48-R59 WeakPolarHBondContact O-CA 3.46Å; V49-R59 HydrophobicContact CG1-CB 4.48Å; V49-R59 HydrophobicContact CG1-CG 4.2Å; R59-D61 IonicContact NH2-OD2 2.83Å; R59-D61 PolarHBondContact NH2-OD2 2.88Å; R59-E70 PolarHBondContact N-O 3.45Å; R59-E70 PolarHBondContact O-N 2.79Å; R59-R72 HydrophobicContact CB-CG 3.81Å
60	F	98.8	Very high	97.1	Very high	5 Å²	5	43.3 Å²	43.3	2%	0.022	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	144	165.3	176.4	-83.4	0	0	0	109.8	F46 I47 A48 Q67 R68 M69 V91 K92	F46-F60 AromaticContact CD1-CD1 3.69Å; F46-F60 HydrophobicContact CD1-CD1 3.69Å; F46-F60 AromaticContact CD1-CE1 3.8Å; F46-F60 HydrophobicContact CD1-CE1 3.8Å; F46-F60 HydrophobicContact CE1-CD1 4.01Å; F46-F60 HydrophobicContact CE1-CE1 4.39Å; I47-F60 WeakPolarHBondContact CA-O 3.39Å; A48-F60 HydrophobicContact CB-CB 4.24Å; A48-F60 PolarHBondContact N-O 2.87Å; A48-F60 PolarHBondContact O-N 3.16Å; F60-Q67 VanDerWaalsContact CE2-C 3.48Å; F60-Q67 HydrophobicContact CE2-CB 4.4Å; F60-Q67 WeakPolarHBondContact CE2-O 3.2Å; F60-Q67 HydrophobicContact CZ-CB 4.41Å; F60-R68 WeakPolarHBondContact CD2-O 3.44Å; F60-M69 HydrophobicContact CB-CE 4.42Å; F60-M69 HydrophobicContact CB-SD 3.99Å; F60-V91 HydrophobicContact CB-CG2 4.03Å; F60-V91 HydrophobicContact CD1-CG2 4.17Å; F60-V91 HydrophobicContact CD2-CG2 3.41Å; F60-V91 VanDerWaalsContact CD2-CG2 3.41Å; F60-V91 HydrophobicContact CE2-CG2 3.82Å; F60-V91 HydrophobicContact CG-CB 4.33Å; F60-V91 HydrophobicContact CG-CG2 3.61Å; F60-V91 HydrophobicContact CZ-CG2 4.37Å; F60-K92 HydrophobicContact CE2-CG 4.2Å; F60-K92 HydrophobicContact CZ-CG 4.09Å
61	D	98.5	Very high	97.1	Very high	19 Å²	19	45.6 Å²	45.6	10%	0.102	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	121.4	173.9	-166.8	-26	0	0	0	109.1	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.98Å; R45-D61 IonicContact CZ-OD2 3.71Å; R45-D61 IonicContact NE-OD1 2.67Å; R45-D61 PolarHBondContact NE-OD1 3.25Å; R45-D61 VanDerWaalsContact NE-OD1 3.11Å; R45-D61 IonicContact NE-OD2 3.76Å; R45-D61 IonicContact NH2-OD1 2.8Å; R45-D61 IonicContact NH2-OD2 3.94Å; R45-D61 PolarHBondContact NH2-OD2 3.19Å; R59-D61 IonicContact NH2-OD2 2.83Å; R59-D61 PolarHBondContact NH2-OD2 2.88Å; D61-D63 PolarHBondContact O-N 2.67Å; D61-D63 PolarHBondContact OD1-N 2.62Å; D61-D63 VanDerWaalsContact OD1-N 3.13Å; D61-A64 HydrophobicContact CB-CB 4.2Å; D61-A64 WeakPolarHBondContact O-CB 3.46Å; D61-A64 PolarHBondContact O-N 2.82Å; D61-A64 VanDerWaalsContact O-N 3.08Å
62	S	98	Very high	97	Very high	15 Å²	15	48.1 Å²	48.1	11%	0.105	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-23.3	-178.4	66.4	0	0	0	0	113.2	R45 F46 A64 Q67	R45-S62 WeakPolarHBondContact CA-OG 3.36Å; F46-S62 PolarHBondContact N-OG 2.77Å; F46-S62 PolarHBondContact O-N 2.7Å; F46-S62 PolarHBondContact O-OG 3.47Å; S62-A64 VanDerWaalsContact C-N 3.35Å; S62-Q67 PolarHBondContact O-NE2 3.33Å
63	D	97.3	Very high	97	Very high	74 Å²	74	48.3 Å²	48.3	40%	0.396	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-6.2	178	-75.7	-2.7	0	0	0	112.4	R38 R45 D61	R38-D63 IonicContact CZ-OD1 2.95Å; R38-D63 IonicContact CZ-OD2 2.77Å; R38-D63 IonicContact NH1-OD1 3.56Å; R38-D63 PolarHBondContact NH1-OD1 3.43Å; R38-D63 IonicContact NH1-OD2 3.87Å; R38-D63 PolarHBondContact NH1-OD2 3.33Å; R38-D63 IonicContact NH2-OD1 3.96Å; R38-D63 PolarHBondContact NH2-OD1 3.48Å; R38-D63 IonicContact NH2-OD2 3.66Å; R45-D63 WeakPolarHBondContact CD-OD2 3.5Å; R45-D63 IonicContact NE-OD2 3.47Å; D61-D63 PolarHBondContact O-N 2.67Å; D61-D63 PolarHBondContact OD1-N 2.62Å; D61-D63 VanDerWaalsContact OD1-N 3.13Å
64	A	96.8	Very high	97	Very high	31 Å²	31	52 Å²	52	26%	0.256	28%	0.283	S	S	.	.	S	Bend	trans	-71.4	147.3	175.2	0	0	0	0	0	111.5	D61 S62 S66 Q67	D61-A64 HydrophobicContact CB-CB 4.2Å; D61-A64 WeakPolarHBondContact O-CB 3.46Å; D61-A64 PolarHBondContact O-N 2.82Å; D61-A64 VanDerWaalsContact O-N 3.08Å; S62-A64 VanDerWaalsContact C-N 3.35Å; A64-S66 VanDerWaalsContact C-N 3.32Å; A64-S66 PolarHBondContact O-N 2.93Å; A64-Q67 WeakPolarHBondContact O-CG 3.39Å; A64-Q67 PolarHBondContact O-N 3.05Å
65	A	95.8	Very high	97.1	Very high	114 Å²	114	49.7 Å²	49.7	94%	0.942	27%	0.269	S	S	*	.	S	Bend	trans	-65.2	-33.5	-178.8	0	0	0	0	0	113.5
66	S	92.1	Very high	97.2	Very high	57 Å²	57	48.6 Å²	48.6	40%	0.399	26%	0.263	S	S	.	.	S	Bend	trans	-72.9	-36.4	178.5	57.1	0	0	0	0	111.9	A64 R68 E70	A64-S66 VanDerWaalsContact C-N 3.32Å; A64-S66 PolarHBondContact O-N 2.93Å; S66-R68 WeakPolarHBondContact O-CG 3.47Å; S66-R68 PolarHBondContact O-N 2.92Å; S66-E70 PolarHBondContact OG-OE1 3.04Å; S66-E70 VanDerWaalsContact OG-OE1 3.06Å
67	Q	95.7	Very high	97.2	Very high	89 Å²	89	52.2 Å²	52.2	42%	0.416	28%	0.279	S	S	.	.			trans	43.1	51.8	-168.4	-58	-173.7	-28.2	0	0	111.7	F60 S62 A64 K92	F60-Q67 VanDerWaalsContact CE2-C 3.48Å; F60-Q67 HydrophobicContact CE2-CB 4.4Å; F60-Q67 WeakPolarHBondContact CE2-O 3.2Å; F60-Q67 HydrophobicContact CZ-CB 4.41Å; S62-Q67 PolarHBondContact O-NE2 3.33Å; A64-Q67 WeakPolarHBondContact O-CG 3.39Å; A64-Q67 PolarHBondContact O-N 3.05Å; Q67-K92 WeakPolarHBondContact O-CE 3.38Å; Q67-K92 PolarHBondContact O-NZ 2.82Å
68	R	97.8	Very high	97	Very high	119 Å²	119	58 Å²	58	45%	0.449	31%	0.307	S	S	.	.	S	Bend	trans	-124.8	158.1	175.8	-60.8	-174.1	80.8	125.5	-1	110.3	F60 S66 E70 D85 T88	F60-R68 WeakPolarHBondContact CD2-O 3.44Å; S66-R68 WeakPolarHBondContact O-CG 3.47Å; S66-R68 PolarHBondContact O-N 2.92Å; R68-E70 PolarHBondContact O-N 2.9Å; R68-D85 IonicContact CZ-OD1 3.77Å; R68-D85 IonicContact NH2-OD1 2.61Å; R68-D85 PolarHBondContact NH2-OD1 2.7Å; R68-T88 HydrophobicContact CB-CG2 4.38Å; R68-T88 HydrophobicContact CG-CG2 4.38Å
69	M	98.3	Very high	97	Very high	9 Å²	9	58.6 Å²	58.6	4%	0.044	31%	0.309	C	S	.	.			trans	-67	128.5	165.9	-172.2	64.4	86.7	0	0	108.4	V58 F60 W84 E87 T88 V91	V58-M69 HydrophobicContact CB-CG 4.09Å; V58-M69 HydrophobicContact CB-SD 3.68Å; V58-M69 HydrophobicContact CG1-CG 4.14Å; V58-M69 HydrophobicContact CG1-SD 4.39Å; V58-M69 HydrophobicContact CG2-CE 4.43Å; V58-M69 HydrophobicContact CG2-SD 4.13Å; F60-M69 HydrophobicContact CB-CE 4.42Å; F60-M69 HydrophobicContact CB-SD 3.99Å; M69-W84 HydrophobicContact CB-CE3 4.25Å; M69-W84 HydrophobicContact CG-CE3 4.15Å; M69-W84 HydrophobicContact CG-CZ3 3.99Å; M69-E87 HydrophobicContact CB-CB 4.1Å; M69-E87 HydrophobicContact CE-CB 4.39Å; M69-E87 HydrophobicContact CG-CB 4.1Å; M69-T88 PolarHBondContact N-OG1 2.89Å; M69-V91 HydrophobicContact CE-CB 4.43Å; M69-V91 HydrophobicContact CE-CG1 3.38Å; M69-V91 HydrophobicContact CE-CG2 4.27Å
70	E	98.1	Very high	96.9	Very high	62 Å²	62	56.3 Å²	56.3	29%	0.29	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	138.9	-175.6	-65.9	175.7	168.1	0	0	110.7	V58 R59 S66 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.4Å; R59-E70 PolarHBondContact N-O 3.45Å; R59-E70 PolarHBondContact O-N 2.79Å; S66-E70 PolarHBondContact OG-OE1 3.04Å; S66-E70 VanDerWaalsContact OG-OE1 3.06Å; R68-E70 PolarHBondContact O-N 2.9Å; E70-R72 IonicContact OE2-CZ 3.11Å; E70-R72 IonicContact OE2-NH2 3.69Å; E70-R72 PolarHBondContact OE2-NH2 3.37Å
71	P	98.1	Very high	96.8	Very high	48 Å²	48	60.7 Å²	60.7	31%	0.312	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	146.1	173.5	28.2	-34	0	0	0	111.1	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.67Å; P71-E77 HydrophobicContact CB-CG 3.78Å; P71-E77 HydrophobicContact CG-CG 4.04Å; P71-W84 HydrophobicContact CB-CH2 3.61Å; P71-W84 HydrophobicContact CB-CZ2 4Å; P71-W84 HydrophobicContact CB-CZ3 4.46Å; P71-W84 HydrophobicContact CG-CH2 4.23Å; P71-W84 HydrophobicContact CG-CZ2 4.4Å
72	R	97.4	Very high	96.8	Very high	119 Å²	119	67.8 Å²	67.8	45%	0.449	37%	0.373	S	S	.	.			trans	-128.5	-2.1	174.2	-60.6	-64.8	168	179.9	-2.8	113.4	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CG-CB 4.15Å; Q56-R72 HydrophobicContact CG-CG 4.39Å; F57-R72 PolarHBondContact O-N 3.08Å; R59-R72 HydrophobicContact CB-CG 3.81Å; E70-R72 IonicContact OE2-CZ 3.11Å; E70-R72 IonicContact OE2-NH2 3.69Å; E70-R72 PolarHBondContact OE2-NH2 3.37Å
73	A	96.1	Very high	96.8	Very high	5 Å²	5	67.7 Å²	67.7	4%	0.041	37%	0.37	C	S	.	.	S	Bend	trans	-135.2	144.1	173.3	0	0	0	0	0	110.9	F57 W75 I76	F57-A73 HydrophobicContact CB-CB 4.13Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.16Å; A73-W75 HydrophobicContact CB-CG 4.35Å; A73-W75 HydrophobicContact CB-CZ2 3.98Å; A73-W75 PolarHBondContact O-N 2.77Å; A73-I76 WeakPolarHBondContact O-CG2 3.39Å; A73-I76 PolarHBondContact O-N 3.16Å
74	P	96.4	Very high	96.8	Very high	105 Å²	105	65.9 Å²	65.9	68%	0.682	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-59	-36.8	-177.5	-26.5	35	0	0	0	114	I76 E77	P74-I76 PolarHBondContact O-N 2.99Å; P74-E77 WeakPolarHBondContact O-CB 3.34Å; P74-E77 PolarHBondContact O-N 3.23Å; P74-E77 VanDerWaalsContact O-N 3.14Å
75	W	96.3	Very high	96.9	Very high	16 Å²	16	67.8 Å²	67.8	6%	0.061	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-70.5	-14.3	-176.1	53.8	-105.6	0	0	0	114.3	V52 F57 A73 Q78 Y195 L203	V52-W75 HydrophobicContact CB-CH2 4.48Å; V52-W75 HydrophobicContact CG2-CH2 3.94Å; V52-W75 HydrophobicContact CG2-CZ2 4.5Å; F57-W75 HydrophobicContact CB-CH2 3.13Å; F57-W75 HydrophobicContact CB-CZ2 3.33Å; F57-W75 HydrophobicContact CB-CZ3 3.97Å; F57-W75 HydrophobicContact CD1-CH2 4.08Å; F57-W75 AromaticContact CD2-CH2 3.84Å; F57-W75 HydrophobicContact CD2-CH2 3.84Å; F57-W75 HydrophobicContact CD2-CZ3 4.14Å; F57-W75 AromaticContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CH2 3.45Å; F57-W75 VanDerWaalsContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CZ2 4.12Å; F57-W75 HydrophobicContact CG-CZ3 4.2Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.16Å; A73-W75 HydrophobicContact CB-CG 4.35Å; A73-W75 HydrophobicContact CB-CZ2 3.98Å; A73-W75 PolarHBondContact O-N 2.77Å; W75-Q78 WeakPolarHBondContact O-CG 3.41Å; W75-Y195 HydrophobicContact CH2-CG 4.24Å; W75-Y195 AromaticContact CZ3-CD1 3.84Å; W75-Y195 HydrophobicContact CZ3-CD1 3.84Å; W75-Y195 HydrophobicContact CZ3-CD2 4.36Å; W75-Y195 AromaticContact CZ3-CG 3.7Å; W75-Y195 HydrophobicContact CZ3-CG 3.7Å; W75-L203 HydrophobicContact CD2-CD1 4.42Å; W75-L203 HydrophobicContact CH2-CD1 4.26Å; W75-L203 HydrophobicContact CZ2-CD1 3.81Å; W75-L203 HydrophobicContact CZ2-CD2 4.02Å; W75-L203 HydrophobicContact CZ2-CG 4.3Å
76	I	97.7	Very high	97	Very high	0 Å²	0	66 Å²	66	0%	0	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-89.3	-19.9	173.6	-163	72.4	0	0	0	111.8	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CB 4.48Å; F57-I76 HydrophobicContact CD2-CD1 4Å; F57-I76 HydrophobicContact CD2-CG1 4.05Å; F57-I76 HydrophobicContact CE2-CD1 4.37Å; F57-I76 VanDerWaalsContact O-CG2 3.27Å; F57-I76 WeakPolarHBondContact O-CG2 3.33Å; V58-I76 HydrophobicContact CG1-CG1 4.36Å; P71-I76 HydrophobicContact CB-CG2 3.67Å; A73-I76 WeakPolarHBondContact O-CG2 3.39Å; A73-I76 PolarHBondContact O-N 3.16Å; P74-I76 PolarHBondContact O-N 2.99Å; I76-Q78 PolarHBondContact O-N 3Å; I76-Q78 VanDerWaalsContact O-N 3.13Å; I76-E79 HydrophobicContact CD1-CG 3.69Å; I76-E79 HydrophobicContact CG1-CG 4.21Å; I76-E79 WeakPolarHBondContact O-CB 3.05Å; I76-E79 WeakPolarHBondContact O-CG 3.39Å; I76-E79 PolarHBondContact O-N 3.03Å; I76-Y83 HydrophobicContact CD1-CE1 4.12Å; I76-Y83 HydrophobicContact CG1-CE1 4.11Å; I76-W84 HydrophobicContact CB-CH2 4.45Å; I76-W84 HydrophobicContact CG1-CH2 3.78Å; I76-W84 HydrophobicContact CG1-CZ2 4.08Å; I76-W84 HydrophobicContact CG2-CH2 3.98Å; I76-W84 HydrophobicContact CG2-CZ2 4.41Å; I76-W84 WeakPolarHBondContact O-CZ2 3.45Å; I76-Y195 HydrophobicContact CD1-CD1 3.78Å; I76-Y195 HydrophobicContact CD1-CE1 3.3Å
77	E	96.4	Very high	97.3	Very high	125 Å²	125	64.5 Å²	64.5	58%	0.584	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-22.4	-176.5	-64.7	-177.7	-175.5	0	0	113.3	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.78Å; P71-E77 HydrophobicContact CG-CG 4.04Å; P74-E77 WeakPolarHBondContact O-CB 3.34Å; P74-E77 PolarHBondContact O-N 3.23Å; P74-E77 VanDerWaalsContact O-N 3.14Å; E77-E79 PolarHBondContact O-N 3.36Å
78	Q	95.4	Very high	97.4	Very high	123 Å²	123	60.8 Å²	60.8	58%	0.575	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-12.4	175.8	67.5	-178.9	5.7	0	0	114	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.41Å; I76-Q78 PolarHBondContact O-N 3Å; I76-Q78 VanDerWaalsContact O-N 3.13Å; Q78-N198 PolarHBondContact NE2-ND2 3.12Å; Q78-N198 PolarHBondContact NE2-OD1 2.85Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.11Å
79	E	97.4	Very high	97.5	Very high	13 Å²	13	62.2 Å²	62.2	6%	0.061	31%	0.311	C	S	.	.	S	Bend	trans	-65.3	138.8	176	-66.8	-61.2	161.5	0	0	111.1	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.69Å; I76-E79 HydrophobicContact CG1-CG 4.21Å; I76-E79 WeakPolarHBondContact O-CB 3.05Å; I76-E79 WeakPolarHBondContact O-CG 3.39Å; I76-E79 PolarHBondContact O-N 3.03Å; E77-E79 PolarHBondContact O-N 3.36Å; E79-Y83 HydrophobicContact CB-CD1 3.52Å; E79-Y83 HydrophobicContact CB-CE1 4.18Å; E79-Y83 HydrophobicContact CB-CG 3.8Å; E79-Y83 HydrophobicContact CG-CD1 4.02Å; E79-Y83 HydrophobicContact CG-CE1 4.27Å; E79-Y83 HydrophobicContact CG-CG 4.2Å; E79-W84 PolarHBondContact O-NE1 3.11Å; E79-R194 IonicContact OE1-CZ 2.84Å; E79-R194 IonicContact OE1-NE 2.7Å; E79-R194 PolarHBondContact OE1-NE 3.47Å; E79-R194 IonicContact OE1-NH2 3.32Å; E79-R194 PolarHBondContact OE1-NH2 3.09Å; E79-R194 IonicContact OE2-CZ 3.67Å; E79-R194 IonicContact OE2-NE 3.26Å; E79-R194 IonicContact OE2-NH2 3.65Å; E79-R194 PolarHBondContact OE2-NH2 3.45Å; E79-N198 PolarHBondContact OE1-ND2 2.89Å
80	G	96.9	Very high	97.4	Very high	34 Å²	34	65.2 Å²	65.2	35%	0.351	33%	0.327	S	S	.	.			trans	-70.4	168.1	-174.4	0	0	0	0	0	114	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.93Å; G80-E82 VanDerWaalsContact O-N 3.16Å; G80-Y83 WeakPolarHBondContact O-CB 3.3Å; G80-Y83 PolarHBondContact O-N 2.72Å; G80-Y83 VanDerWaalsContact O-N 3.07Å; G80-W84 VanDerWaalsContact O-CD1 3.25Å; G80-W84 PolarHBondContact O-N 2.91Å
81	P	97.3	Very high	97.4	Very high	98 Å²	98	62.4 Å²	62.4	64%	0.636	32%	0.315	S	S	*	.	H	α-helix	trans	-58.1	-32.3	-179.2	23.7	-33.9	0	0	0	113.3	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.31Å; P81-Y83 PolarHBondContact O-N 2.95Å; P81-W84 PolarHBondContact O-N 2.92Å; P81-D85 WeakPolarHBondContact O-CB 3.12Å; P81-D85 PolarHBondContact O-N 2.83Å
82	E	97.8	Very high	97.4	Very high	167 Å²	167	64 Å²	64	78%	0.78	32%	0.317	S	S	*	.	H	α-helix	trans	-60.8	-38.3	177.5	-64.9	179.9	178.9	0	0	112.6	G80 Q86	G80-E82 PolarHBondContact O-N 2.93Å; G80-E82 VanDerWaalsContact O-N 3.16Å; E82-Q86 VanDerWaalsContact O-CB 3.27Å; E82-Q86 WeakPolarHBondContact O-CB 2.94Å; E82-Q86 PolarHBondContact O-N 3.08Å
83	Y	97.8	Very high	97.5	Very high	14 Å²	14	61.2 Å²	61.2	6%	0.055	32%	0.319	C	S	.	.	H	α-helix	trans	-62.5	-52.7	175	171.1	-98	0	0	0	110.3	I76 E79 G80 P81 D85 Q86 E87 W191 Y195	I76-Y83 HydrophobicContact CD1-CE1 4.12Å; I76-Y83 HydrophobicContact CG1-CE1 4.11Å; E79-Y83 HydrophobicContact CB-CD1 3.52Å; E79-Y83 HydrophobicContact CB-CE1 4.18Å; E79-Y83 HydrophobicContact CB-CG 3.8Å; E79-Y83 HydrophobicContact CG-CD1 4.02Å; E79-Y83 HydrophobicContact CG-CE1 4.27Å; E79-Y83 HydrophobicContact CG-CG 4.2Å; G80-Y83 WeakPolarHBondContact O-CB 3.3Å; G80-Y83 PolarHBondContact O-N 2.72Å; G80-Y83 VanDerWaalsContact O-N 3.07Å; P81-Y83 VanDerWaalsContact C-N 3.31Å; P81-Y83 PolarHBondContact O-N 2.95Å; Y83-D85 VanDerWaalsContact C-N 3.31Å; Y83-D85 PolarHBondContact O-N 2.89Å; Y83-Q86 PolarHBondContact O-N 2.86Å; Y83-E87 HydrophobicContact CD1-CG 4.39Å; Y83-E87 HydrophobicContact CD2-CG 4.07Å; Y83-E87 HydrophobicContact CE1-CG 4Å; Y83-E87 HydrophobicContact CE2-CG 3.64Å; Y83-E87 HydrophobicContact CG-CG 4.42Å; Y83-E87 WeakPolarHBondContact O-CB 3.22Å; Y83-E87 WeakPolarHBondContact O-CG 3.18Å; Y83-E87 PolarHBondContact O-N 2.87Å; Y83-W191 AromaticContact CD2-CH2 3.45Å; Y83-W191 HydrophobicContact CD2-CH2 3.45Å; Y83-W191 VanDerWaalsContact CD2-CH2 3.45Å; Y83-W191 HydrophobicContact CD2-CZ2 4.03Å; Y83-W191 AromaticContact CD2-CZ3 3.88Å; Y83-W191 HydrophobicContact CD2-CZ3 3.88Å; Y83-W191 HydrophobicContact CE2-CE3 4.39Å; Y83-W191 AromaticContact CE2-CH2 3.83Å; Y83-W191 HydrophobicContact CE2-CH2 3.83Å; Y83-W191 HydrophobicContact CE2-CZ2 4.29Å; Y83-W191 AromaticContact CE2-CZ3 3.88Å; Y83-W191 HydrophobicContact CE2-CZ3 3.88Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.36Å; Y83-Y195 VanDerWaalsContact CZ-OH 3.31Å; Y83-Y195 PolarHBondContact OH-OH 3.43Å
84	W	98.3	Very high	97.6	Very high	35 Å²	35	63 Å²	63	13%	0.133	33%	0.326	C	S	.	.	H	α-helix	trans	-62.7	-37.3	-179	-62.6	111.5	0	0	0	112.9	V58 M69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.13Å; V58-W84 HydrophobicContact CG1-CZ3 3.9Å; M69-W84 HydrophobicContact CB-CE3 4.25Å; M69-W84 HydrophobicContact CG-CE3 4.15Å; M69-W84 HydrophobicContact CG-CZ3 3.99Å; P71-W84 HydrophobicContact CB-CH2 3.61Å; P71-W84 HydrophobicContact CB-CZ2 4Å; P71-W84 HydrophobicContact CB-CZ3 4.46Å; P71-W84 HydrophobicContact CG-CH2 4.23Å; P71-W84 HydrophobicContact CG-CZ2 4.4Å; I76-W84 HydrophobicContact CB-CH2 4.45Å; I76-W84 HydrophobicContact CG1-CH2 3.78Å; I76-W84 HydrophobicContact CG1-CZ2 4.08Å; I76-W84 HydrophobicContact CG2-CH2 3.98Å; I76-W84 HydrophobicContact CG2-CZ2 4.41Å; I76-W84 WeakPolarHBondContact O-CZ2 3.45Å; E79-W84 PolarHBondContact O-NE1 3.11Å; G80-W84 VanDerWaalsContact O-CD1 3.25Å; G80-W84 PolarHBondContact O-N 2.91Å; P81-W84 PolarHBondContact O-N 2.92Å; W84-T88 WeakPolarHBondContact O-CB 3.32Å; W84-T88 PolarHBondContact O-N 2.96Å; W84-T88 PolarHBondContact O-OG1 2.81Å
85	D	98.2	Very high	97.6	Very high	71 Å²	71	58.8 Å²	58.8	38%	0.38	30%	0.299	S	S	.	.	H	α-helix	trans	-68.9	-39.7	175.6	-76.7	-18	0	0	0	112.1	R68 P81 Y83 R89	R68-D85 IonicContact CZ-OD1 3.77Å; R68-D85 IonicContact NH2-OD1 2.61Å; R68-D85 PolarHBondContact NH2-OD1 2.7Å; P81-D85 WeakPolarHBondContact O-CB 3.12Å; P81-D85 PolarHBondContact O-N 2.83Å; Y83-D85 VanDerWaalsContact C-N 3.31Å; Y83-D85 PolarHBondContact O-N 2.89Å; D85-R89 WeakPolarHBondContact O-CB 3.43Å; D85-R89 VanDerWaalsContact O-CG 3.31Å; D85-R89 WeakPolarHBondContact O-CG 3.33Å; D85-R89 PolarHBondContact O-N 2.84Å; D85-R89 VanDerWaalsContact O-N 3.09Å; D85-R89 PolarHBondContact O-NE 3.19Å
86	Q	97.9	Very high	97.7	Very high	76 Å²	76	62.9 Å²	62.9	36%	0.355	32%	0.319	S	S	.	.	H	α-helix	trans	-67.6	-49.7	175.7	-175	62.5	53	0	0	111.1	E82 Y83 T88 R89 N90	E82-Q86 VanDerWaalsContact O-CB 3.27Å; E82-Q86 WeakPolarHBondContact O-CB 2.94Å; E82-Q86 PolarHBondContact O-N 3.08Å; Y83-Q86 PolarHBondContact O-N 2.86Å; Q86-T88 VanDerWaalsContact C-N 3.33Å; Q86-T88 PolarHBondContact O-N 2.87Å; Q86-R89 PolarHBondContact O-N 2.87Å; Q86-R89 VanDerWaalsContact O-N 3.12Å; Q86-N90 PolarHBondContact NE2-OD1 3.48Å; Q86-N90 PolarHBondContact O-N 2.88Å; Q86-N90 PolarHBondContact O-ND2 2.94Å; Q86-N90 PolarHBondContact O-OD1 3.11Å
87	E	97.9	Very high	97.7	Very high	27 Å²	27	66.1 Å²	66.1	13%	0.126	34%	0.339	C	S	.	.	H	α-helix	trans	-61.6	-42.4	179.3	-72.1	-53.1	110.9	0	0	111.6	M69 Y83 R89 N90 V91	M69-E87 HydrophobicContact CB-CB 4.1Å; M69-E87 HydrophobicContact CE-CB 4.39Å; M69-E87 HydrophobicContact CG-CB 4.1Å; Y83-E87 HydrophobicContact CD1-CG 4.39Å; Y83-E87 HydrophobicContact CD2-CG 4.07Å; Y83-E87 HydrophobicContact CE1-CG 4Å; Y83-E87 HydrophobicContact CE2-CG 3.64Å; Y83-E87 HydrophobicContact CG-CG 4.42Å; Y83-E87 WeakPolarHBondContact O-CB 3.22Å; Y83-E87 WeakPolarHBondContact O-CG 3.18Å; Y83-E87 PolarHBondContact O-N 2.87Å; E87-R89 VanDerWaalsContact C-N 3.33Å; E87-R89 PolarHBondContact O-N 3.3Å; E87-N90 PolarHBondContact O-N 2.8Å; E87-N90 PolarHBondContact OE1-ND2 3.48Å; E87-V91 WeakPolarHBondContact O-CG2 3.49Å; E87-V91 PolarHBondContact O-N 3.22Å
88	T	98.5	Very high	97.8	Very high	10 Å²	10	60.1 Å²	60.1	6%	0.061	31%	0.311	C	S	.	.	H	α-helix	trans	-61.2	-41.4	174.8	-62.2	0	0	0	0	111.8	R68 M69 W84 Q86 V91 K92	R68-T88 HydrophobicContact CB-CG2 4.38Å; R68-T88 HydrophobicContact CG-CG2 4.38Å; M69-T88 PolarHBondContact N-OG1 2.89Å; W84-T88 WeakPolarHBondContact O-CB 3.32Å; W84-T88 PolarHBondContact O-N 2.96Å; W84-T88 PolarHBondContact O-OG1 2.81Å; Q86-T88 VanDerWaalsContact C-N 3.33Å; Q86-T88 PolarHBondContact O-N 2.87Å; T88-V91 WeakPolarHBondContact O-CG2 3.4Å; T88-K92 HydrophobicContact CG2-CD 4.18Å; T88-K92 WeakPolarHBondContact O-CB 3.42Å; T88-K92 VanDerWaalsContact O-CG 3.3Å; T88-K92 WeakPolarHBondContact O-CG 3.39Å; T88-K92 PolarHBondContact O-N 3.37Å; T88-K92 VanDerWaalsContact O-N 3.1Å
89	R	98.4	Very high	97.9	Very high	150 Å²	150	59.3 Å²	59.3	57%	0.566	30%	0.303	S	S	*	.	H	α-helix	trans	-65.3	-43.1	176.2	-79.4	-175.3	-67.8	145	-0.5	111.5	D85 Q86 E87 K92 A93	D85-R89 WeakPolarHBondContact O-CB 3.43Å; D85-R89 VanDerWaalsContact O-CG 3.31Å; D85-R89 WeakPolarHBondContact O-CG 3.33Å; D85-R89 PolarHBondContact O-N 2.84Å; D85-R89 VanDerWaalsContact O-N 3.09Å; D85-R89 PolarHBondContact O-NE 3.19Å; Q86-R89 PolarHBondContact O-N 2.87Å; Q86-R89 VanDerWaalsContact O-N 3.12Å; E87-R89 VanDerWaalsContact C-N 3.33Å; E87-R89 PolarHBondContact O-N 3.3Å; R89-K92 PolarHBondContact O-N 2.86Å; R89-A93 WeakPolarHBondContact O-CB 3.43Å; R89-A93 PolarHBondContact O-N 3.18Å
90	N	97.4	Very high	97.9	Very high	71 Å²	71	63 Å²	63	38%	0.38	33%	0.326	S	S	.	.	H	α-helix	trans	-59.5	-51.7	179.3	-68.2	-14.2	0	0	0	111.3	Q86 E87 K92 A93 Q94	Q86-N90 PolarHBondContact NE2-OD1 3.48Å; Q86-N90 PolarHBondContact O-N 2.88Å; Q86-N90 PolarHBondContact O-ND2 2.94Å; Q86-N90 PolarHBondContact O-OD1 3.11Å; E87-N90 PolarHBondContact O-N 2.8Å; E87-N90 PolarHBondContact OE1-ND2 3.48Å; N90-K92 VanDerWaalsContact C-N 3.34Å; N90-K92 PolarHBondContact O-N 3.41Å; N90-A93 PolarHBondContact O-N 3.39Å; N90-Q94 PolarHBondContact O-N 3.23Å
91	V	98	Very high	98	Very high	3 Å²	3	64.1 Å²	64.1	2%	0.018	32%	0.324	C	S	.	.	H	α-helix	trans	-69.4	-30.3	-179.5	-63.7	0	0	0	0	113.3	F46 A48 F60 M69 E87 T88 S95	F46-V91 HydrophobicContact CE1-CB 4.14Å; A48-V91 HydrophobicContact CB-CG1 4.19Å; F60-V91 HydrophobicContact CB-CG2 4.03Å; F60-V91 HydrophobicContact CD1-CG2 4.17Å; F60-V91 HydrophobicContact CD2-CG2 3.41Å; F60-V91 VanDerWaalsContact CD2-CG2 3.41Å; F60-V91 HydrophobicContact CE2-CG2 3.82Å; F60-V91 HydrophobicContact CG-CB 4.33Å; F60-V91 HydrophobicContact CG-CG2 3.61Å; F60-V91 HydrophobicContact CZ-CG2 4.37Å; M69-V91 HydrophobicContact CE-CB 4.43Å; M69-V91 HydrophobicContact CE-CG1 3.38Å; M69-V91 HydrophobicContact CE-CG2 4.27Å; E87-V91 WeakPolarHBondContact O-CG2 3.49Å; E87-V91 PolarHBondContact O-N 3.22Å; T88-V91 WeakPolarHBondContact O-CG2 3.4Å; V91-S95 WeakPolarHBondContact O-CB 3.44Å; V91-S95 PolarHBondContact O-N 2.8Å
92	K	98.3	Very high	98	Very high	83 Å²	83	59.9 Å²	59.9	36%	0.361	30%	0.296	S	S	.	.	H	α-helix	trans	-67.4	-41.1	171.8	-77.8	-175.7	179.7	-176.8	0	112	F60 Q67 T88 R89 N90 S95 Q96	F60-K92 HydrophobicContact CE2-CG 4.2Å; F60-K92 HydrophobicContact CZ-CG 4.09Å; Q67-K92 WeakPolarHBondContact O-CE 3.38Å; Q67-K92 PolarHBondContact O-NZ 2.82Å; T88-K92 HydrophobicContact CG2-CD 4.18Å; T88-K92 WeakPolarHBondContact O-CB 3.42Å; T88-K92 VanDerWaalsContact O-CG 3.3Å; T88-K92 WeakPolarHBondContact O-CG 3.39Å; T88-K92 PolarHBondContact O-N 3.37Å; T88-K92 VanDerWaalsContact O-N 3.1Å; R89-K92 PolarHBondContact O-N 2.86Å; N90-K92 VanDerWaalsContact C-N 3.34Å; N90-K92 PolarHBondContact O-N 3.41Å; K92-S95 PolarHBondContact O-N 2.79Å; K92-Q96 WeakPolarHBondContact O-CG 3.39Å; K92-Q96 PolarHBondContact O-N 3.28Å
93	A	98.3	Very high	98	Very high	59 Å²	59	53.6 Å²	53.6	49%	0.488	28%	0.276	S	S	.	.	H	α-helix	trans	-62.1	-47.3	174.5	0	0	0	0	0	110.6	R89 N90 S95 Q96 T97	R89-A93 WeakPolarHBondContact O-CB 3.43Å; R89-A93 PolarHBondContact O-N 3.18Å; N90-A93 PolarHBondContact O-N 3.39Å; A93-S95 VanDerWaalsContact C-N 3.33Å; A93-S95 PolarHBondContact O-N 2.75Å; A93-Q96 PolarHBondContact O-N 2.98Å; A93-Q96 VanDerWaalsContact O-N 3.12Å; A93-T97 PolarHBondContact O-N 2.03Å; A93-T97 PolarHBondContact O-OG1 3.22Å
94	Q	98.1	Very high	98	Very high	42 Å²	42	55.2 Å²	55.2	20%	0.196	29%	0.287	C	S	.	.	H	α-helix	trans	-59.4	-42.6	175.9	-172.3	66	52.5	0	0	112.3	F33 F46 N90 Q96 T97 D98	F33-Q94 HydrophobicContact CD2-CG 3.63Å; F33-Q94 HydrophobicContact CE2-CB 4.33Å; F33-Q94 HydrophobicContact CE2-CG 3.68Å; F46-Q94 HydrophobicContact CE2-CB 4.41Å; F46-Q94 HydrophobicContact CE2-CG 3.98Å; F46-Q94 HydrophobicContact CZ-CB 4.23Å; F46-Q94 HydrophobicContact CZ-CG 4.08Å; N90-Q94 PolarHBondContact O-N 3.23Å; Q94-Q96 PolarHBondContact O-N 2.98Å; Q94-T97 WeakPolarHBondContact O-CA 3.31Å; Q94-T97 WeakPolarHBondContact O-CB 3.37Å; Q94-T97 PolarHBondContact O-N 2.89Å; Q94-D98 PolarHBondContact NE2-OD1 3.22Å; Q94-D98 PolarHBondContact O-N 2.87Å
95	S	97.9	Very high	98	Very high	17 Å²	17	54.1 Å²	54.1	12%	0.119	28%	0.284	C	S	.	.	H	α-helix	trans	-58.2	-35.8	176.4	173.1	0	0	0	0	112.9	F46 V91 K92 A93 R99	F46-S95 WeakPolarHBondContact CB-OG 3.38Å; V91-S95 WeakPolarHBondContact O-CB 3.44Å; V91-S95 PolarHBondContact O-N 2.8Å; K92-S95 PolarHBondContact O-N 2.79Å; A93-S95 VanDerWaalsContact C-N 3.33Å; A93-S95 PolarHBondContact O-N 2.75Å; S95-R99 WeakPolarHBondContact O-CB 3.16Å; S95-R99 PolarHBondContact O-N 3.42Å
96	Q	97.9	Very high	97.9	Very high	103 Å²	103	54.1 Å²	54.1	48%	0.481	28%	0.279	S	S	.	.	H	α-helix	trans	-72.5	-37.7	174.5	-63.9	-53.3	-56	0	0	112.2	K92 A93 Q94 R99 V100	K92-Q96 WeakPolarHBondContact O-CG 3.39Å; K92-Q96 PolarHBondContact O-N 3.28Å; A93-Q96 PolarHBondContact O-N 2.98Å; A93-Q96 VanDerWaalsContact O-N 3.12Å; Q94-Q96 PolarHBondContact O-N 2.98Å; Q96-R99 WeakPolarHBondContact O-CB 3.49Å; Q96-R99 PolarHBondContact O-N 3.24Å; Q96-V100 WeakPolarHBondContact O-CG2 3.31Å; Q96-V100 PolarHBondContact O-N 3.03Å
97	T	98.1	Very high	97.9	Very high	67 Å²	67	52.5 Å²	52.5	41%	0.411	28%	0.282	S	S	.	.	H	α-helix	trans	-60.5	-52.8	173.1	-57.8	0	0	0	0	110.8	A93 Q94 R99 V100 D101	A93-T97 PolarHBondContact O-N 2.03Å; A93-T97 PolarHBondContact O-OG1 3.22Å; Q94-T97 WeakPolarHBondContact O-CA 3.31Å; Q94-T97 WeakPolarHBondContact O-CB 3.37Å; Q94-T97 PolarHBondContact O-N 2.89Å; T97-R99 PolarHBondContact O-N 3.11Å; T97-V100 WeakPolarHBondContact O-CA 3.22Å; T97-V100 WeakPolarHBondContact O-CB 3.21Å; T97-V100 PolarHBondContact O-N 2.91Å; T97-D101 PolarHBondContact O-N 3.4Å
98	D	97.9	Very high	97.9	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-58.9	-35.5	-179.9	-78.3	25.8	0	0	0	112.5	S35 F46 Q94 D101 L102	S35-D98 WeakPolarHBondContact CB-OD2 3.43Å; S35-D98 VanDerWaalsContact OG-CB 3.23Å; S35-D98 WeakPolarHBondContact OG-CB 3.4Å; S35-D98 PolarHBondContact OG-OD2 3.13Å; F46-D98 HydrophobicContact CD2-CB 4.44Å; Q94-D98 PolarHBondContact NE2-OD1 3.22Å; Q94-D98 PolarHBondContact O-N 2.87Å; D98-D101 PolarHBondContact O-N 3.04Å; D98-L102 WeakPolarHBondContact O-CB 3.41Å; D98-L102 VanDerWaalsContact O-CG 3.31Å; D98-L102 WeakPolarHBondContact O-CG 3.39Å; D98-L102 PolarHBondContact O-N 2.92Å
99	R	97.6	Very high	97.9	Very high	105 Å²	105	56.6 Å²	56.6	40%	0.396	30%	0.296	S	S	.	.	H	α-helix	trans	-62	-42.9	174.5	172.8	-170.1	126.4	141.2	-8.9	111.9	E43 P44 S95 Q96 T97	E43-R99 IonicContact OE1-CZ 3.64Å; E43-R99 IonicContact OE1-NH1 3.19Å; E43-R99 PolarHBondContact OE1-NH1 3.47Å; E43-R99 VanDerWaalsContact OE2-CD 3.25Å; E43-R99 WeakPolarHBondContact OE2-CD 3.38Å; E43-R99 IonicContact OE2-CZ 3.75Å; E43-R99 IonicContact OE2-NE 3.47Å; E43-R99 IonicContact OE2-NH1 2.82Å; E43-R99 PolarHBondContact OE2-NH1 2.87Å; P44-R99 HydrophobicContact CG-CB 4.43Å; P44-R99 HydrophobicContact CG-CG 4.23Å; S95-R99 WeakPolarHBondContact O-CB 3.16Å; S95-R99 PolarHBondContact O-N 3.42Å; Q96-R99 WeakPolarHBondContact O-CB 3.49Å; Q96-R99 PolarHBondContact O-N 3.24Å; T97-R99 PolarHBondContact O-N 3.11Å
100	V	97.9	Very high	97.8	Very high	90 Å²	90	56.6 Å²	56.6	55%	0.545	31%	0.308	S	S	.	.	H	α-helix	trans	-69.5	-39.8	175.9	175.2	0	0	0	0	110.4	Q96 T97 L102 G103 T104	Q96-V100 WeakPolarHBondContact O-CG2 3.31Å; Q96-V100 PolarHBondContact O-N 3.03Å; T97-V100 WeakPolarHBondContact O-CA 3.22Å; T97-V100 WeakPolarHBondContact O-CB 3.21Å; T97-V100 PolarHBondContact O-N 2.91Å; V100-L102 PolarHBondContact O-N 2.99Å; V100-G103 PolarHBondContact O-N 2.88Å; V100-T104 PolarHBondContact O-N 2.94Å; V100-T104 PolarHBondContact O-OG1 3.17Å
101	D	98.1	Very high	97.8	Very high	59 Å²	59	56.1 Å²	56.1	32%	0.316	30%	0.303	S	S	.	.	H	α-helix	trans	-65.9	-38.3	179.4	-70.5	-19.8	0	0	0	111.9	T97 D98 G103 T104 L105 I119	T97-D101 PolarHBondContact O-N 3.4Å; D98-D101 PolarHBondContact O-N 3.04Å; D101-G103 VanDerWaalsContact C-N 3.28Å; D101-G103 PolarHBondContact O-N 3.02Å; D101-T104 PolarHBondContact O-N 3.39Å; D101-T104 VanDerWaalsContact O-N 3.07Å; D101-L105 WeakPolarHBondContact O-CB 3.22Å; D101-L105 VanDerWaalsContact O-CG 3.32Å; D101-L105 WeakPolarHBondContact O-CG 3.48Å; D101-L105 PolarHBondContact O-N 3.45Å; D101-I119 HydrophobicContact CB-CD1 3.68Å
102	L	98.1	Very high	97.7	Very high	8 Å²	8	59.8 Å²	59.8	4%	0.042	33%	0.329	C	S	.	.	H	α-helix	trans	-56.2	-43	173.4	-82.6	164.1	0	0	0	111.7	P44 D98 V100 R106 H117 I119 Y142	P44-L102 HydrophobicContact CB-CD1 3.58Å; P44-L102 HydrophobicContact CG-CD1 3.68Å; D98-L102 WeakPolarHBondContact O-CB 3.41Å; D98-L102 VanDerWaalsContact O-CG 3.31Å; D98-L102 WeakPolarHBondContact O-CG 3.39Å; D98-L102 PolarHBondContact O-N 2.92Å; V100-L102 PolarHBondContact O-N 2.99Å; L102-R106 VanDerWaalsContact O-CB 3.26Å; L102-R106 WeakPolarHBondContact O-CB 3.4Å; L102-R106 PolarHBondContact O-N 3.02Å; L102-R106 VanDerWaalsContact O-N 3.16Å; L102-H117 HydrophobicContact CD2-CB 4.13Å; L102-H117 WeakPolarHBondContact CD2-O 3.33Å; L102-I119 HydrophobicContact CB-CD1 4.39Å; L102-I119 HydrophobicContact CD2-CD1 4.01Å; L102-I119 HydrophobicContact CD2-CG1 3.79Å; L102-I119 HydrophobicContact CG-CD1 3.73Å; L102-I119 HydrophobicContact CG-CG1 4.05Å; L102-Y142 HydrophobicContact CD2-CE2 4.38Å
103	G	96.7	Very high	97.3	Very high	35 Å²	35	62.3 Å²	62.3	36%	0.361	34%	0.342	S	S	.	.	H	α-helix	trans	-68.8	-38.2	175.4	0	0	0	0	0	112.9	V100 D101 G107	V100-G103 PolarHBondContact O-N 2.88Å; D101-G103 VanDerWaalsContact C-N 3.28Å; D101-G103 PolarHBondContact O-N 3.02Å; G103-G107 PolarHBondContact O-N 2.96Å
104	T	97.9	Very high	97.1	Very high	49 Å²	49	63.4 Å²	63.4	30%	0.301	35%	0.351	S	S	.	.	H	α-helix	trans	-66.9	-49.3	179.3	-60.3	0	0	0	0	111.7	V100 D101 G107 Y108	V100-T104 PolarHBondContact O-N 2.94Å; V100-T104 PolarHBondContact O-OG1 3.17Å; D101-T104 PolarHBondContact O-N 3.39Å; D101-T104 VanDerWaalsContact O-N 3.07Å; T104-G107 WeakPolarHBondContact O-CA 3.29Å; T104-G107 PolarHBondContact O-N 2.95Å; T104-G107 VanDerWaalsContact O-N 3.11Å; T104-Y108 HydrophobicContact CG2-CD1 4.41Å; T104-Y108 HydrophobicContact CG2-CD2 4.49Å; T104-Y108 HydrophobicContact CG2-CE1 3.8Å; T104-Y108 HydrophobicContact CG2-CE2 3.89Å; T104-Y108 VanDerWaalsContact CG2-CZ 3.49Å; T104-Y108 PolarHBondContact O-N 3.42Å
105	L	98.1	Very high	96.9	Very high	12 Å²	12	62.7 Å²	62.7	6%	0.063	36%	0.355	C	S	.	.	H	α-helix	trans	-62.8	-44.4	178.8	-67.8	176.5	0	0	0	111.1	D101 G107 Y108 Y109 I119 Y142 Y147	D101-L105 WeakPolarHBondContact O-CB 3.22Å; D101-L105 VanDerWaalsContact O-CG 3.32Å; D101-L105 WeakPolarHBondContact O-CG 3.48Å; D101-L105 PolarHBondContact O-N 3.45Å; L105-G107 PolarHBondContact O-N 3.04Å; L105-Y108 HydrophobicContact CD2-CD2 4.23Å; L105-Y108 PolarHBondContact O-N 2.84Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.45Å; L105-Y109 PolarHBondContact O-N 3.44Å; L105-I119 HydrophobicContact CD1-CD1 3.56Å; L105-I119 HydrophobicContact CD1-CG1 3.71Å; L105-Y142 HydrophobicContact CB-CD1 4.44Å; L105-Y142 HydrophobicContact CB-CD2 4.17Å; L105-Y142 HydrophobicContact CB-CE1 4.09Å; L105-Y142 HydrophobicContact CB-CE2 3.81Å; L105-Y142 HydrophobicContact CB-CG 4.47Å; L105-Y142 HydrophobicContact CD1-CD2 3.45Å; L105-Y142 VanDerWaalsContact CD1-CD2 3.45Å; L105-Y142 HydrophobicContact CD1-CE2 3.84Å; L105-Y142 HydrophobicContact CD1-CG 3.86Å; L105-Y142 HydrophobicContact CG-CD2 4.43Å; L105-Y142 HydrophobicContact CG-CE2 4.49Å; L105-Y147 HydrophobicContact CD2-CD2 4.32Å; L105-Y147 HydrophobicContact CD2-CE1 3.81Å; L105-Y147 HydrophobicContact CD2-CE2 3.55Å; L105-Y147 VanDerWaalsContact CD2-OH 3.25Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.27Å
106	R	97.3	Very high	96.9	Very high	71 Å²	71	65.4 Å²	65.4	27%	0.268	37%	0.374	S	S	.	.	H	α-helix	trans	-52.6	-41.5	172.9	-173.9	-171.6	69	176.1	11.1	111.7	L102 N110 Q111 E113	L102-R106 VanDerWaalsContact O-CB 3.26Å; L102-R106 WeakPolarHBondContact O-CB 3.4Å; L102-R106 PolarHBondContact O-N 3.02Å; L102-R106 VanDerWaalsContact O-N 3.16Å; R106-N110 PolarHBondContact O-N 2.63Å; R106-N110 VanDerWaalsContact O-N 3.16Å; R106-Q111 HydrophobicContact CG-CB 3.81Å; R106-Q111 PolarHBondContact O-N 2.99Å; R106-E113 IonicContact CZ-OE1 2.72Å; R106-E113 IonicContact NH1-OE1 3.78Å; R106-E113 IonicContact NH2-OE1 3.69Å; R106-E113 PolarHBondContact NH2-OE1 3.14Å
107	G	97.3	Very high	96.9	Very high	42 Å²	42	61.2 Å²	61.2	43%	0.433	36%	0.355	S	S	.	.	H	α-helix	trans	-65	-47.3	174.5	0	0	0	0	0	113.3	G103 T104 L105 Y109 N110	G103-G107 PolarHBondContact O-N 2.96Å; T104-G107 WeakPolarHBondContact O-CA 3.29Å; T104-G107 PolarHBondContact O-N 2.95Å; T104-G107 VanDerWaalsContact O-N 3.11Å; L105-G107 PolarHBondContact O-N 3.04Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.32Å; G107-N110 PolarHBondContact O-N 3.2Å; G107-N110 VanDerWaalsContact O-N 3.12Å
108	Y	98	Very high	96.9	Very high	55 Å²	55	59.7 Å²	59.7	22%	0.216	35%	0.345	C	S	.	.	H	α-helix	trans	-59.8	-37.2	178.7	-67.8	-9.1	0	0	0	112.9	T104 L105 A163 I166 K170	T104-Y108 HydrophobicContact CG2-CD1 4.41Å; T104-Y108 HydrophobicContact CG2-CD2 4.49Å; T104-Y108 HydrophobicContact CG2-CE1 3.8Å; T104-Y108 HydrophobicContact CG2-CE2 3.89Å; T104-Y108 VanDerWaalsContact CG2-CZ 3.49Å; T104-Y108 PolarHBondContact O-N 3.42Å; L105-Y108 HydrophobicContact CD2-CD2 4.23Å; L105-Y108 PolarHBondContact O-N 2.84Å; Y108-A163 HydrophobicContact CD2-CB 4.43Å; Y108-I166 HydrophobicContact CD1-CD1 4.2Å; Y108-I166 HydrophobicContact CD2-CD1 4.4Å; Y108-I166 HydrophobicContact CE1-CD1 4.36Å; Y108-I166 HydrophobicContact CE1-CG2 4.15Å; Y108-I166 HydrophobicContact CE2-CB 4.07Å; Y108-I166 HydrophobicContact CE2-CG2 4.03Å; Y108-I166 HydrophobicContact CG-CD1 4.23Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.49Å; Y108-K170 PolarHBondContact OH-NZ 3.25Å
109	Y	97.9	Very high	97	Very high	68 Å²	68	60 Å²	60	27%	0.267	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	3.1	179.3	-69.2	-71.7	0	0	0	113.9	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.45Å; L105-Y109 PolarHBondContact O-N 3.44Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.32Å; Y109-Q111 PolarHBondContact O-N 2.93Å; Y109-Y142 AromaticContact CD2-CD1 3.73Å; Y109-Y142 HydrophobicContact CD2-CD1 3.73Å; Y109-Y142 AromaticContact CD2-CE1 3.5Å; Y109-Y142 HydrophobicContact CD2-CE1 3.5Å; Y109-Y142 AromaticContact CE2-CD1 3.5Å; Y109-Y142 HydrophobicContact CE2-CD1 3.5Å; Y109-Y142 AromaticContact CE2-CE1 3.8Å; Y109-Y142 HydrophobicContact CE2-CE1 3.8Å; Y109-Y142 HydrophobicContact CE2-CG 4.47Å; Y109-Y142 HydrophobicContact CG-CE1 4.4Å; Y109-Y147 HydrophobicContact CE2-CD2 4.4Å; Y109-Y147 HydrophobicContact CE2-CE2 4.11Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.41Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.45Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.22Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.48Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 2.87Å; Y109-D161 PolarHBondContact OH-OD2 2.88Å; Y109-A163 HydrophobicContact CD1-CB 4.2Å; Y109-A163 HydrophobicContact CD2-CB 4.44Å; Y109-A163 HydrophobicContact CE1-CB 3.62Å; Y109-A163 HydrophobicContact CE2-CB 3.89Å; Y109-A163 VanDerWaalsContact CZ-CB 3.45Å
110	N	96.9	Very high	97	Very high	150 Å²	150	58.9 Å²	58.9	80%	0.802	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	40.5	-177	-57	-62.2	0	0	0	113.3	R106 G107	R106-N110 PolarHBondContact O-N 2.63Å; R106-N110 VanDerWaalsContact O-N 3.16Å; G107-N110 PolarHBondContact O-N 3.2Å; G107-N110 VanDerWaalsContact O-N 3.12Å
111	Q	97.2	Very high	97.1	Very high	60 Å²	60	54.8 Å²	54.8	28%	0.28	32%	0.321	S	S	.	.			trans	-87.5	155.1	-176.8	-71.2	165	-36.7	0	0	112.1	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.81Å; R106-Q111 PolarHBondContact O-N 2.99Å; Y109-Q111 PolarHBondContact O-N 2.93Å; Q111-H117 PolarHBondContact NE2-CE1 3.46Å; Q111-H117 PolarHBondContact OE1-CE1 2.89Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.31Å; Q111-Y142 PolarHBondContact OE1-OH 2.97Å; Q111-D143 PolarHBondContact NE2-OD2 2.86Å
112	S	95.3	Very high	97.1	Very high	81 Å²	81	53.4 Å²	53.4	57%	0.566	31%	0.313	S	S	*	.			trans	-70.6	146.5	-179.8	175.9	0	0	0	0	112.4	A114 G115	S112-A114 PolarHBondContact O-N 3.49Å; S112-A114 PolarHBondContact OG-N 3.46Å; S112-G115 PolarHBondContact O-N 3.46Å
113	E	91.9	Very high	97.1	Very high	135 Å²	135	54.7 Å²	54.7	63%	0.631	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-19	174.9	-52.7	-155.7	126.6	0	0	113.9	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.5Å; P39-E113 VanDerWaalsContact CG-O 3.27Å; P39-E113 WeakPolarHBondContact CG-O 3.47Å; R106-E113 IonicContact CZ-OE1 2.72Å; R106-E113 IonicContact NH1-OE1 3.78Å; R106-E113 IonicContact NH2-OE1 3.69Å; R106-E113 PolarHBondContact NH2-OE1 3.14Å; E113-G115 VanDerWaalsContact C-N 3.3Å
114	A	93.1	Very high	97.2	Very high	83 Å²	83	53 Å²	53	69%	0.686	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-14.7	178.2	0	0	0	0	0	113	S112	S112-A114 PolarHBondContact O-N 3.49Å; S112-A114 PolarHBondContact OG-N 3.46Å
115	G	94	Very high	97.2	Very high	27 Å²	27	50.7 Å²	50.7	28%	0.278	29%	0.286	S	S	.	.	S	Bend	trans	-75.9	136.9	-179.5	0	0	0	0	0	112.5	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.17Å; S112-G115 PolarHBondContact O-N 3.46Å; E113-G115 VanDerWaalsContact C-N 3.3Å; G115-H117 PolarHBondContact O-CD2 3.39Å; G115-H117 VanDerWaalsContact O-CD2 3.29Å
116	S	97.4	Very high	97.2	Very high	74 Å²	74	51.2 Å²	51.2	52%	0.517	29%	0.289	S	S	.	.			trans	-85.9	130.5	165.5	179	0	0	0	0	108.6	S37	S37-S116 WeakPolarHBondContact O-CB 3.47Å; S37-S116 PolarHBondContact O-OG 2.8Å
117	H	98.3	Very high	97.2	Very high	15 Å²	15	47.9 Å²	47.9	7%	0.069	28%	0.277	C	S	.	.			trans	-127.8	152.7	-177.8	-61.7	-73.9	0	0	0	111.2	S37 L102 Q111 G115 Y142 D143	S37-H117 PolarHBondContact N-O 2.93Å; S37-H117 WeakPolarHBondContact OG-CA 3.29Å; S37-H117 PolarHBondContact OG-N 2.61Å; S37-H117 PolarHBondContact OG-O 3.29Å; L102-H117 HydrophobicContact CD2-CB 4.13Å; L102-H117 WeakPolarHBondContact CD2-O 3.33Å; Q111-H117 PolarHBondContact NE2-CE1 3.46Å; Q111-H117 PolarHBondContact OE1-CE1 2.89Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.31Å; G115-H117 PolarHBondContact O-CD2 3.39Å; G115-H117 VanDerWaalsContact O-CD2 3.29Å; H117-Y142 HydrophobicContact CB-CE2 3.85Å; H117-Y142 WeakPolarHBondContact CB-OH 3.26Å; H117-Y142 AromaticContact ND1-CZ 3.94Å; H117-Y142 PolarHBondContact ND1-OH 3.39Å; H117-D143 WeakPolarHBondContact CA-OD1 3.4Å; H117-D143 WeakPolarHBondContact CB-OD1 3.46Å; H117-D143 IonicContact CE1-OD2 2.77Å; H117-D143 IonicContact CG-OD1 2.81Å; H117-D143 IonicContact CG-OD2 3.44Å; H117-D143 IonicContact ND1-OD1 3.89Å; H117-D143 IonicContact ND1-OD2 3.77Å; H117-D143 PolarHBondContact ND1-OD2 3.16Å
118	T	98.7	Very high	97	Very high	34 Å²	34	46.3 Å²	46.3	21%	0.209	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	129.9	-174.3	-58.3	0	0	0	0	111	T34 S35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.09Å; S35-T118 CarbonylContact O-C 3.54Å; S35-T118 VanDerWaalsContact O-CA 3.29Å; S35-T118 WeakPolarHBondContact O-CA 3.36Å; V36-T118 HydrophobicContact CG2-CG2 4.15Å; T118-Q120 HydrophobicContact CG2-CG 3.95Å; T118-Y142 CarbonylContact O-C 3.59Å; T118-Y142 WeakPolarHBondContact O-CA 3.44Å; T118-Y142 VanDerWaalsContact O-CD2 3.28Å; T118-Y142 WeakPolarHBondContact O-CD2 3.42Å; T118-D143 PolarHBondContact N-OD1 2.87Å; T118-D143 PolarHBondContact O-N 3.39Å
119	I	98.8	Very high	96.6	Very high	7 Å²	7	48.4 Å²	48.4	4%	0.036	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	134.6	163.3	-66.2	174.7	0	0	0	108	T34 S35 D101 L102 L105 I121 A141 Y142	T34-I119 WeakPolarHBondContact CA-O 3.17Å; S35-I119 PolarHBondContact N-O 3.04Å; S35-I119 PolarHBondContact O-N 3.47Å; D101-I119 HydrophobicContact CB-CD1 3.68Å; L102-I119 HydrophobicContact CB-CD1 4.39Å; L102-I119 HydrophobicContact CD2-CD1 4.01Å; L102-I119 HydrophobicContact CD2-CG1 3.79Å; L102-I119 HydrophobicContact CG-CD1 3.73Å; L102-I119 HydrophobicContact CG-CG1 4.05Å; L105-I119 HydrophobicContact CD1-CD1 3.56Å; L105-I119 HydrophobicContact CD1-CG1 3.71Å; I119-I121 HydrophobicContact CG2-CD1 4.17Å; I119-I121 HydrophobicContact CG2-CG1 4.03Å; I119-A141 WeakPolarHBondContact CA-O 3.4Å; I119-Y142 HydrophobicContact CG1-CD2 3.85Å; I119-Y142 HydrophobicContact CG1-CE2 4.26Å
120	Q	98.8	Very high	96.2	Very high	81 Å²	81	49.2 Å²	49.2	38%	0.379	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	136.7	170.9	-66.8	171.2	-91.7	0	0	109.1	F33 T34 T118 D140 A141	F33-Q120 WeakPolarHBondContact O-CA 3.4Å; T34-Q120 HydrophobicContact CG2-CG 4.11Å; T118-Q120 HydrophobicContact CG2-CG 3.95Å; Q120-D140 CarbonylContact O-C 3.58Å; Q120-D140 WeakPolarHBondContact O-CA 3.27Å; Q120-A141 HydrophobicContact CB-CB 4.34Å; Q120-A141 PolarHBondContact N-O 2.95Å; Q120-A141 PolarHBondContact O-N 3.05Å
121	I	98.6	Very high	95.9	Very high	5 Å²	5	42.8 Å²	42.8	3%	0.026	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	133.4	-179.9	-66.7	163.4	0	0	0	107.8	F32 F33 I119 Y123 Q139 D140	F32-I121 CarbonylContact C-O 3.59Å; F32-I121 VanDerWaalsContact CA-O 3.32Å; F32-I121 WeakPolarHBondContact CA-O 3.48Å; F33-I121 HydrophobicContact CB-CB 4.22Å; F33-I121 HydrophobicContact CD2-CG2 4.43Å; F33-I121 PolarHBondContact N-O 2.85Å; F33-I121 PolarHBondContact O-N 3.17Å; I119-I121 HydrophobicContact CG2-CD1 4.17Å; I119-I121 HydrophobicContact CG2-CG1 4.03Å; I121-Y123 HydrophobicContact CG2-CD1 4.05Å; I121-Q139 CarbonylContact C-O 3.56Å; I121-Q139 WeakPolarHBondContact CA-O 3.18Å; I121-D140 HydrophobicContact CG1-CB 4.38Å
122	M	98.6	Very high	95.8	Very high	30 Å²	30	47.8 Å²	47.8	15%	0.148	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	130.6	168.4	-178	-80.9	-69.4	0	0	109.2	Y31 F32 Y137 R138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.33Å; F32-M122 HydrophobicContact CD1-CB 3.9Å; F32-M122 HydrophobicContact CD1-CG 3.67Å; F32-M122 HydrophobicContact CE1-CB 4.03Å; F32-M122 HydrophobicContact CE1-CG 3.35Å; F32-M122 HydrophobicContact CZ-CG 3.99Å; M122-Y137 HydrophobicContact CE-CD1 4.42Å; M122-Y137 HydrophobicContact CE-CG 4.41Å; M122-Y137 HydrophobicContact SD-CG 4.48Å; M122-R138 CarbonylContact O-C 3.6Å; M122-R138 WeakPolarHBondContact O-CA 3.43Å; M122-Q139 HydrophobicContact CE-CB 4.35Å; M122-Q139 HydrophobicContact CE-CG 4.18Å; M122-Q139 PolarHBondContact N-O 3.3Å; M122-Q139 PolarHBondContact O-N 3.03Å
123	Y	98.4	Very high	95.9	Very high	34 Å²	34	46.7 Å²	46.7	13%	0.133	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	157.2	169.8	69.5	-82.2	0	0	0	111.1	R30 Y31 F33 I121 Y137 Y183	R30-Y123 WeakPolarHBondContact CA-O 3.49Å; Y31-Y123 AromaticContact CD2-CE2 3.76Å; Y31-Y123 HydrophobicContact CD2-CE2 3.76Å; Y31-Y123 AromaticContact CD2-CZ 3.85Å; Y31-Y123 HydrophobicContact CG-CE1 4.34Å; Y31-Y123 HydrophobicContact CG-CE2 4.21Å; Y31-Y123 AromaticContact CG-CZ 3.83Å; Y31-Y123 PolarHBondContact N-O 3.19Å; Y31-Y123 PolarHBondContact O-N 3.18Å; Y31-Y123 VanDerWaalsContact O-N 3.09Å; F33-Y123 HydrophobicContact CD2-CE1 4.11Å; F33-Y123 HydrophobicContact CE1-CE1 4.19Å; F33-Y123 AromaticContact CE2-CE1 3.45Å; F33-Y123 HydrophobicContact CE2-CE1 3.45Å; F33-Y123 VanDerWaalsContact CE2-CE1 3.45Å; F33-Y123 AromaticContact CZ-CE1 3.51Å; F33-Y123 HydrophobicContact CZ-CE1 3.51Å; F33-Y123 AromaticContact CZ-CZ 3.81Å; F33-Y123 WeakPolarHBondContact CZ-OH 3.35Å; I121-Y123 HydrophobicContact CG2-CD1 4.05Å; Y123-Y137 WeakPolarHBondContact CA-O 3.45Å; Y123-Y137 WeakPolarHBondContact CB-O 3.44Å; Y123-Y183 AromaticContact CD2-CE1 3.87Å; Y123-Y183 HydrophobicContact CD2-CE1 3.87Å; Y123-Y183 AromaticContact CE2-CE1 3.71Å; Y123-Y183 HydrophobicContact CE2-CE1 3.71Å
124	G	98.3	Very high	96.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169	177.3	-172.8	0	0	0	0	0	113.7	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.58Å; M29-G124 WeakPolarHBondContact O-CA 3.49Å; G124-G136 CarbonylContact O-C 3.55Å; G124-G136 WeakPolarHBondContact O-CA 3.31Å; G124-Y137 PolarHBondContact N-O 3.38Å; G124-Y137 VanDerWaalsContact N-O 3.1Å; G124-Y137 PolarHBondContact O-N 2.99Å; G124-L184 VanDerWaalsContact O-CD2 3.27Å; G124-L184 WeakPolarHBondContact O-CD2 3.43Å
125	C	98.4	Very high	96.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	149.2	178.1	56.6	0	0	0	0	110.8	S28 M29 F133 R135 C188 V189	S28-C125 WeakPolarHBondContact CA-O 3.18Å; M29-C125 PolarHBondContact N-O 3.35Å; M29-C125 PolarHBondContact O-N 3.06Å; C125-F133 HydrophobicContact CB-CD2 4.4Å; C125-F133 HydrophobicContact CB-CE2 4.09Å; C125-R135 CarbonylContact C-O 3.48Å; C125-R135 VanDerWaalsContact CA-O 3.32Å; C125-R135 WeakPolarHBondContact CA-O 3.44Å; C125-C188 HydrophobicContact CB-CB 3.88Å; C125-C188 WeakPolarHBondContact CB-SG 3.37Å; C125-C188 PolarHBondContact N-SG 3.33Å; C125-C188 VanDerWaalsContact N-SG 3.37Å; C125-C188 WeakPolarHBondContact SG-CB 3.3Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.86Å; C125-V189 HydrophobicContact CB-CG2 4.45Å
126	D	97.8	Very high	96.4	Very high	24 Å²	24	44.4 Å²	44.4	13%	0.128	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	141.8	170.6	-61.2	-12.1	0	0	0	109.4	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.53Å; H27-D126 WeakPolarHBondContact O-CA 3.38Å; S28-D126 WeakPolarHBondContact CB-OD1 3.49Å; R30-D126 IonicContact CZ-OD1 3.61Å; R30-D126 IonicContact NH2-OD1 3.45Å; R30-D126 PolarHBondContact NH2-OD1 3.26Å; R30-D126 IonicContact NH2-OD2 3.73Å; D126-L134 HydrophobicContact CB-CB 4.32Å; D126-L134 PolarHBondContact O-N 2.83Å; D126-R135 PolarHBondContact N-O 2.63Å; D126-R135 PolarHBondContact O-N 3.46Å; D126-Y137 HydrophobicContact CB-CE2 4.49Å; D126-Y137 VanDerWaalsContact CG-CE2 3.47Å; D126-Y137 WeakPolarHBondContact OD1-CE2 3.24Å; D126-Y137 VanDerWaalsContact OD2-CE2 3.22Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.28Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.29Å; D126-Y137 PolarHBondContact OD2-OH 2.88Å
127	V	96.8	Very high	96.3	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	147.7	174	-61.9	0	0	0	0	110.4	S26 H27 R132 V189 L192 L196	S26-V127 CarbonylContact C-O 3.59Å; S26-V127 VanDerWaalsContact CA-O 3.24Å; S26-V127 WeakPolarHBondContact CA-O 3.39Å; S26-V127 WeakPolarHBondContact CB-O 3.11Å; H27-V127 HydrophobicContact CB-CG2 3.96Å; H27-V127 PolarHBondContact N-O 3.23Å; H27-V127 PolarHBondContact O-N 3.26Å; V127-R132 CarbonylContact C-O 3.59Å; V127-R132 WeakPolarHBondContact CA-O 3.33Å; V127-V189 HydrophobicContact CG1-CB 4.35Å; V127-V189 HydrophobicContact CG1-CG1 3.86Å; V127-V189 HydrophobicContact CG1-CG2 4.02Å; V127-L192 HydrophobicContact CB-CD2 4.35Å; V127-L192 HydrophobicContact CG1-CD2 3.95Å; V127-L192 HydrophobicContact CG2-CD2 3.63Å; V127-L192 HydrophobicContact CG2-CG 4.16Å; V127-L196 HydrophobicContact CG2-CD1 4.4Å
128	G	94	Very high	96.3	Very high	9 Å²	9	43.1 Å²	43.1	9%	0.093	21%	0.214	C	C	.	.			trans	-75.6	179.2	173.4	0	0	0	0	0	111.9	G25 D130 G131 R132	G25-G128 CarbonylContact O-C 3.46Å; G128-D130 PolarHBondContact O-N 2.85Å; G128-G131 VanDerWaalsContact O-CA 3.31Å; G128-G131 WeakPolarHBondContact O-CA 3.02Å; G128-G131 PolarHBondContact O-N 3.33Å; G128-R132 PolarHBondContact N-O 2.83Å
129	S	89.5	Confident	96.3	Very high	99 Å²	99	45.5 Å²	45.5	69%	0.692	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-20.5	176.8	50.1	0	0	0	0	114.2	G25	G25-S129 WeakPolarHBondContact O-CA 3.34Å; G25-S129 WeakPolarHBondContact O-CB 3.38Å; G25-S129 PolarHBondContact O-N 3.44Å; G25-S129 VanDerWaalsContact O-N 3.12Å
130	D	89.7	Confident	96.3	Very high	85 Å²	85	46 Å²	46	46%	0.455	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	5	170	60.1	13.6	0	0	0	113.3	G128 R132	G128-D130 PolarHBondContact O-N 2.85Å; D130-R132 PolarHBondContact O-N 2.8Å; D130-R132 VanDerWaalsContact OD1-CB 3.29Å; D130-R132 WeakPolarHBondContact OD1-CB 3Å; D130-R132 PolarHBondContact OD1-N 2.63Å; D130-R132 IonicContact OD1-NE 3.83Å; D130-R132 IonicContact OD2-CZ 2.71Å; D130-R132 IonicContact OD2-NE 3.01Å; D130-R132 PolarHBondContact OD2-NE 3.36Å; D130-R132 IonicContact OD2-NH2 2.76Å; D130-R132 PolarHBondContact OD2-NH2 2.92Å
131	G	91.1	Very high	96.3	Very high	14 Å²	14	43 Å²	43	14%	0.144	22%	0.215	C	C	.	.			trans	72.6	3.3	-177.4	0	0	0	0	0	114.4	G128 R193	G128-G131 VanDerWaalsContact O-CA 3.31Å; G128-G131 WeakPolarHBondContact O-CA 3.02Å; G128-G131 PolarHBondContact O-N 3.33Å; G131-R193 PolarHBondContact O-NE 3.01Å; G131-R193 PolarHBondContact O-NH2 2.99Å
132	R	94.9	Very high	96.3	Very high	165 Å²	165	43.3 Å²	43.3	62%	0.623	22%	0.215	S	C	*	.			trans	-75.9	147	-179.9	-67.8	-171.2	-74.7	179.5	-6.9	111.3	V127 G128 D130 L134	V127-R132 CarbonylContact C-O 3.59Å; V127-R132 WeakPolarHBondContact CA-O 3.33Å; G128-R132 PolarHBondContact N-O 2.83Å; D130-R132 PolarHBondContact O-N 2.8Å; D130-R132 VanDerWaalsContact OD1-CB 3.29Å; D130-R132 WeakPolarHBondContact OD1-CB 3Å; D130-R132 PolarHBondContact OD1-N 2.63Å; D130-R132 IonicContact OD1-NE 3.83Å; D130-R132 IonicContact OD2-CZ 2.71Å; D130-R132 IonicContact OD2-NE 3.01Å; D130-R132 PolarHBondContact OD2-NE 3.36Å; D130-R132 IonicContact OD2-NH2 2.76Å; D130-R132 PolarHBondContact OD2-NH2 2.92Å; R132-L134 PolarHBondContact O-N 2.86Å
133	F	97	Very high	96.2	Very high	58 Å²	58	44.9 Å²	44.9	25%	0.254	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	129	176.1	-179	-104.9	0	0	0	111.1	C125 R135 G136 L154 L184 V189	C125-F133 HydrophobicContact CB-CD2 4.4Å; C125-F133 HydrophobicContact CB-CE2 4.09Å; F133-R135 VanDerWaalsContact CE2-C 3.41Å; F133-R135 VanDerWaalsContact CE2-O 3.28Å; F133-R135 WeakPolarHBondContact CE2-O 3.43Å; F133-G136 VanDerWaalsContact CZ-N 3.26Å; F133-L154 HydrophobicContact CE1-CD1 3.9Å; F133-L154 HydrophobicContact CZ-CD1 3.65Å; F133-L184 VanDerWaalsContact CE2-O 3.32Å; F133-L184 WeakPolarHBondContact CE2-O 3.32Å; F133-V189 HydrophobicContact CB-CG2 4.03Å; F133-V189 HydrophobicContact CD2-CG2 3.58Å; F133-V189 HydrophobicContact CG-CG2 4.27Å
134	L	96.1	Very high	96.2	Very high	105 Å²	105	46.1 Å²	46.1	55%	0.55	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-50.4	173.7	-66.5	179.8	0	0	0	111.2	D126 R132	D126-L134 HydrophobicContact CB-CB 4.32Å; D126-L134 PolarHBondContact O-N 2.83Å; R132-L134 PolarHBondContact O-N 2.86Å
135	R	95.9	Very high	96.2	Very high	89 Å²	89	53.7 Å²	53.7	34%	0.336	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	149.8	-171.4	-176.2	166.4	170.4	156	9.6	111.5	C125 D126 F133 Y137 E152	C125-R135 CarbonylContact C-O 3.48Å; C125-R135 VanDerWaalsContact CA-O 3.32Å; C125-R135 WeakPolarHBondContact CA-O 3.44Å; D126-R135 PolarHBondContact N-O 2.63Å; D126-R135 PolarHBondContact O-N 3.46Å; F133-R135 VanDerWaalsContact CE2-C 3.41Å; F133-R135 VanDerWaalsContact CE2-O 3.28Å; F133-R135 WeakPolarHBondContact CE2-O 3.43Å; R135-Y137 HydrophobicContact CB-CE2 4.32Å; R135-Y137 VanDerWaalsContact CD-OH 3.28Å; R135-Y137 WeakPolarHBondContact CD-OH 3.32Å; R135-Y137 HydrophobicContact CG-CE1 4.12Å; R135-Y137 HydrophobicContact CG-CE2 3.96Å; R135-E152 IonicContact CZ-OE1 2.77Å; R135-E152 IonicContact NH1-OE1 3.08Å; R135-E152 PolarHBondContact NH1-OE1 2.96Å; R135-E152 VanDerWaalsContact NH2-CG 3.28Å; R135-E152 IonicContact NH2-OE1 2.85Å; R135-E152 PolarHBondContact NH2-OE1 3.19Å
136	G	97.2	Very high	96.2	Very high	4 Å²	4	60 Å²	60	4%	0.041	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	154	172.8	0	0	0	0	0	110.9	G124 F133	G124-G136 CarbonylContact O-C 3.55Å; G124-G136 WeakPolarHBondContact O-CA 3.31Å; F133-G136 VanDerWaalsContact CZ-N 3.26Å
137	Y	95.6	Very high	96.2	Very high	37 Å²	37	59.5 Å²	59.5	15%	0.145	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	140.6	-178.3	-53.5	-93.2	0	0	0	110.2	M122 Y123 G124 D126 R135	M122-Y137 HydrophobicContact CE-CD1 4.42Å; M122-Y137 HydrophobicContact CE-CG 4.41Å; M122-Y137 HydrophobicContact SD-CG 4.48Å; Y123-Y137 WeakPolarHBondContact CA-O 3.45Å; Y123-Y137 WeakPolarHBondContact CB-O 3.44Å; G124-Y137 PolarHBondContact N-O 3.38Å; G124-Y137 VanDerWaalsContact N-O 3.1Å; G124-Y137 PolarHBondContact O-N 2.99Å; D126-Y137 HydrophobicContact CB-CE2 4.49Å; D126-Y137 VanDerWaalsContact CG-CE2 3.47Å; D126-Y137 WeakPolarHBondContact OD1-CE2 3.24Å; D126-Y137 VanDerWaalsContact OD2-CE2 3.22Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.28Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.29Å; D126-Y137 PolarHBondContact OD2-OH 2.88Å; R135-Y137 HydrophobicContact CB-CE2 4.32Å; R135-Y137 VanDerWaalsContact CD-OH 3.28Å; R135-Y137 WeakPolarHBondContact CD-OH 3.32Å; R135-Y137 HydrophobicContact CG-CE1 4.12Å; R135-Y137 HydrophobicContact CG-CE2 3.96Å
138	R	97.9	Very high	96.3	Very high	24 Å²	24	59.6 Å²	59.6	9%	0.091	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	117.4	159.7	173.2	64.9	-172.2	-147.9	1.7	107.6	M122 D140 A149 L150 W157 L180	M122-R138 CarbonylContact O-C 3.6Å; M122-R138 WeakPolarHBondContact O-CA 3.43Å; R138-D140 IonicContact CZ-OD1 2.95Å; R138-D140 IonicContact CZ-OD2 2.68Å; R138-D140 IonicContact NE-OD1 3.46Å; R138-D140 PolarHBondContact NE-OD1 3.48Å; R138-D140 IonicContact NE-OD2 3.94Å; R138-D140 IonicContact NH2-OD1 3.76Å; R138-D140 PolarHBondContact NH2-OD1 3.03Å; R138-D140 IonicContact NH2-OD2 2.67Å; R138-D140 PolarHBondContact NH2-OD2 3.15Å; R138-A149 WeakPolarHBondContact O-CA 3.34Å; R138-L150 HydrophobicContact CB-CB 3.89Å; R138-L150 HydrophobicContact CB-CD2 4.24Å; R138-L150 PolarHBondContact O-N 3.31Å; R138-W157 HydrophobicContact CG-CH2 4.28Å; R138-W157 HydrophobicContact CG-CZ3 4.27Å; R138-L180 HydrophobicContact CG-CD1 4.14Å
139	Q	98.1	Very high	96.6	Very high	84 Å²	84	60.4 Å²	60.4	39%	0.393	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	131.5	-177.7	-62.2	179	-9.5	0	0	109.5	I121 M122 A149	I121-Q139 CarbonylContact C-O 3.56Å; I121-Q139 WeakPolarHBondContact CA-O 3.18Å; M122-Q139 HydrophobicContact CE-CB 4.35Å; M122-Q139 HydrophobicContact CE-CG 4.18Å; M122-Q139 PolarHBondContact N-O 3.3Å; M122-Q139 PolarHBondContact O-N 3.03Å; Q139-A149 HydrophobicContact CG-CB 3.95Å
140	D	98.6	Very high	97	Very high	19 Å²	19	56.2 Å²	56.2	10%	0.102	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	136.7	-178	-59.6	23	0	0	0	108	Q120 I121 R138 Y147 I148	Q120-D140 CarbonylContact O-C 3.58Å; Q120-D140 WeakPolarHBondContact O-CA 3.27Å; I121-D140 HydrophobicContact CG1-CB 4.38Å; R138-D140 IonicContact CZ-OD1 2.95Å; R138-D140 IonicContact CZ-OD2 2.68Å; R138-D140 IonicContact NE-OD1 3.46Å; R138-D140 PolarHBondContact NE-OD1 3.48Å; R138-D140 IonicContact NE-OD2 3.94Å; R138-D140 IonicContact NH2-OD1 3.76Å; R138-D140 PolarHBondContact NH2-OD1 3.03Å; R138-D140 IonicContact NH2-OD2 2.67Å; R138-D140 PolarHBondContact NH2-OD2 3.15Å; D140-Y147 WeakPolarHBondContact O-CA 3.29Å; D140-Y147 VanDerWaalsContact O-CB 3.31Å; D140-Y147 WeakPolarHBondContact O-CB 3.35Å; D140-Y147 PolarHBondContact O-N 3.12Å; D140-I148 HydrophobicContact CB-CG2 4.04Å; D140-I148 PolarHBondContact N-O 3.32Å; D140-I148 PolarHBondContact O-N 2.91Å; D140-I148 VanDerWaalsContact O-N 3.14Å
141	A	98.8	Very high	97.4	Very high	18 Å²	18	54.4 Å²	54.4	15%	0.149	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	147.4	179.1	0	0	0	0	0	110.5	I119 Q120 K145	I119-A141 WeakPolarHBondContact CA-O 3.4Å; Q120-A141 HydrophobicContact CB-CB 4.34Å; Q120-A141 PolarHBondContact N-O 2.95Å; Q120-A141 PolarHBondContact O-N 3.05Å; A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.47Å; A141-K145 VanDerWaalsContact CB-O 3.27Å; A141-K145 WeakPolarHBondContact CB-O 3.44Å
142	Y	98.8	Very high	97.6	Very high	10 Å²	10	60.2 Å²	60.2	4%	0.039	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	127.8	178.3	-173.8	-119.3	0	0	0	110.5	L102 L105 Y109 Q111 H117 T118 I119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.38Å; L105-Y142 HydrophobicContact CB-CD1 4.44Å; L105-Y142 HydrophobicContact CB-CD2 4.17Å; L105-Y142 HydrophobicContact CB-CE1 4.09Å; L105-Y142 HydrophobicContact CB-CE2 3.81Å; L105-Y142 HydrophobicContact CB-CG 4.47Å; L105-Y142 HydrophobicContact CD1-CD2 3.45Å; L105-Y142 VanDerWaalsContact CD1-CD2 3.45Å; L105-Y142 HydrophobicContact CD1-CE2 3.84Å; L105-Y142 HydrophobicContact CD1-CG 3.86Å; L105-Y142 HydrophobicContact CG-CD2 4.43Å; L105-Y142 HydrophobicContact CG-CE2 4.49Å; Y109-Y142 AromaticContact CD2-CD1 3.73Å; Y109-Y142 HydrophobicContact CD2-CD1 3.73Å; Y109-Y142 AromaticContact CD2-CE1 3.5Å; Y109-Y142 HydrophobicContact CD2-CE1 3.5Å; Y109-Y142 AromaticContact CE2-CD1 3.5Å; Y109-Y142 HydrophobicContact CE2-CD1 3.5Å; Y109-Y142 AromaticContact CE2-CE1 3.8Å; Y109-Y142 HydrophobicContact CE2-CE1 3.8Å; Y109-Y142 HydrophobicContact CE2-CG 4.47Å; Y109-Y142 HydrophobicContact CG-CE1 4.4Å; Q111-Y142 PolarHBondContact OE1-OH 2.97Å; H117-Y142 HydrophobicContact CB-CE2 3.85Å; H117-Y142 WeakPolarHBondContact CB-OH 3.26Å; H117-Y142 AromaticContact ND1-CZ 3.94Å; H117-Y142 PolarHBondContact ND1-OH 3.39Å; T118-Y142 CarbonylContact O-C 3.59Å; T118-Y142 WeakPolarHBondContact O-CA 3.44Å; T118-Y142 VanDerWaalsContact O-CD2 3.28Å; T118-Y142 WeakPolarHBondContact O-CD2 3.42Å; I119-Y142 HydrophobicContact CG1-CD2 3.85Å; I119-Y142 HydrophobicContact CG1-CE2 4.26Å; Y142-G144 PolarHBondContact O-N 2.91Å; Y142-K145 PolarHBondContact N-O 2.89Å; Y142-K145 PolarHBondContact O-N 3.36Å
143	D	98.3	Very high	97.7	Very high	64 Å²	64	56.1 Å²	56.1	34%	0.342	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	38.9	-175.5	-66.8	-20.7	0	0	0	113.3	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 2.86Å; H117-D143 WeakPolarHBondContact CA-OD1 3.4Å; H117-D143 WeakPolarHBondContact CB-OD1 3.46Å; H117-D143 IonicContact CE1-OD2 2.77Å; H117-D143 IonicContact CG-OD1 2.81Å; H117-D143 IonicContact CG-OD2 3.44Å; H117-D143 IonicContact ND1-OD1 3.89Å; H117-D143 IonicContact ND1-OD2 3.77Å; H117-D143 PolarHBondContact ND1-OD2 3.16Å; T118-D143 PolarHBondContact N-OD1 2.87Å; T118-D143 PolarHBondContact O-N 3.39Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 3.14Å
144	G	97.2	Very high	97.7	Very high	59 Å²	59	53.8 Å²	53.8	61%	0.608	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	10.2	178.2	0	0	0	0	0	115.2	Y142	Y142-G144 PolarHBondContact O-N 2.91Å
145	K	98.4	Very high	97.8	Very high	159 Å²	159	56.7 Å²	56.7	69%	0.691	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.2	144.9	176	-61.6	179.5	-176.5	176.1	0	110.6	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.47Å; A141-K145 VanDerWaalsContact CB-O 3.27Å; A141-K145 WeakPolarHBondContact CB-O 3.44Å; Y142-K145 PolarHBondContact N-O 2.89Å; Y142-K145 PolarHBondContact O-N 3.36Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 3.14Å; K145-Y147 PolarHBondContact O-N 3.16Å
146	D	98.6	Very high	97.9	Very high	134 Å²	134	54.1 Å²	54.1	72%	0.717	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.8	133.3	173.6	-63.8	-26.5	0	0	0	110.5	A160	D146-A160 HydrophobicContact CB-CB 4.36Å; D146-A160 WeakPolarHBondContact O-CB 3.49Å
147	Y	98.8	Very high	97.9	Very high	12 Å²	12	54.1 Å²	54.1	5%	0.047	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	-63.1	179	179.2	-108.1	0	0	0	110.4	L105 Y109 D140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD2 4.32Å; L105-Y147 HydrophobicContact CD2-CE1 3.81Å; L105-Y147 HydrophobicContact CD2-CE2 3.55Å; L105-Y147 VanDerWaalsContact CD2-OH 3.25Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.27Å; Y109-Y147 HydrophobicContact CE2-CD2 4.4Å; Y109-Y147 HydrophobicContact CE2-CE2 4.11Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.41Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.45Å; D140-Y147 WeakPolarHBondContact O-CA 3.29Å; D140-Y147 VanDerWaalsContact O-CB 3.31Å; D140-Y147 WeakPolarHBondContact O-CB 3.35Å; D140-Y147 PolarHBondContact O-N 3.12Å; K145-Y147 PolarHBondContact O-N 3.16Å; Y147-A160 WeakPolarHBondContact O-CB 3.32Å; Y147-A160 PolarHBondContact O-N 3.22Å; Y147-A163 HydrophobicContact CE2-CB 4.37Å; Y147-A163 PolarHBondContact OH-O 3.08Å; Y147-A164 HydrophobicContact CD2-CB 3.8Å; Y147-A164 HydrophobicContact CE1-CB 4.4Å; Y147-A164 VanDerWaalsContact CE2-CA 3.5Å; Y147-A164 HydrophobicContact CE2-CB 3.65Å; Y147-A164 HydrophobicContact CG-CB 4.24Å; Y147-A164 WeakPolarHBondContact O-CB 3.37Å; Y147-T167 HydrophobicContact CE1-CG2 4.19Å; Y147-T167 WeakPolarHBondContact OH-CB 3.25Å; Y147-T167 PolarHBondContact OH-OG1 3.47Å
148	I	98.7	Very high	98.1	Very high	4 Å²	4	56 Å²	56	2%	0.021	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	142.7	178.5	-162.3	172.8	0	0	0	110.9	D140 W157 T158 T167 K168 W171	D140-I148 HydrophobicContact CB-CG2 4.04Å; D140-I148 PolarHBondContact N-O 3.32Å; D140-I148 PolarHBondContact O-N 2.91Å; D140-I148 VanDerWaalsContact O-N 3.14Å; I148-W157 HydrophobicContact CD1-CB 4.25Å; I148-W157 HydrophobicContact CD1-CD2 4.41Å; I148-W157 HydrophobicContact CD1-CE3 4.18Å; I148-W157 HydrophobicContact CD1-CG 4.47Å; I148-W157 HydrophobicContact CG1-CB 4.37Å; I148-W157 HydrophobicContact CG1-CE3 4.05Å; I148-T158 CarbonylContact C-O 3.59Å; I148-T158 WeakPolarHBondContact CA-O 3.34Å; I148-T158 WeakPolarHBondContact CG1-O 2.84Å; I148-T167 HydrophobicContact CD1-CG2 4.08Å; I148-K168 HydrophobicContact CD1-CB 3.89Å; I148-W171 HydrophobicContact CD1-CE3 4.07Å; I148-W171 HydrophobicContact CD1-CZ3 4.35Å; I148-W171 HydrophobicContact CG2-CH2 4.12Å; I148-W171 HydrophobicContact CG2-CZ3 3.79Å
149	A	98.7	Very high	98.1	Very high	25 Å²	25	55.6 Å²	55.6	21%	0.207	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	138.6	-179.8	0	0	0	0	0	111.6	R138 Q139 W157 T158	R138-A149 WeakPolarHBondContact O-CA 3.34Å; Q139-A149 HydrophobicContact CG-CB 3.95Å; A149-W157 WeakPolarHBondContact O-CA 3.48Å; A149-T158 PolarHBondContact N-O 2.86Å; A149-T158 PolarHBondContact O-N 3.29Å
150	L	98.6	Very high	98.1	Very high	12 Å²	12	54.5 Å²	54.5	6%	0.063	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	128.9	168.4	-175	66.1	0	0	0	108.7	R138 L154 W157 A177 L180 L184	R138-L150 HydrophobicContact CB-CB 3.89Å; R138-L150 HydrophobicContact CB-CD2 4.24Å; R138-L150 PolarHBondContact O-N 3.31Å; L150-L154 HydrophobicContact CD2-CD2 3.78Å; L150-L154 HydrophobicContact CG-CD2 4.32Å; L150-W157 HydrophobicContact CB-CE3 4.02Å; L150-W157 HydrophobicContact CB-CH2 4.12Å; L150-W157 HydrophobicContact CB-CZ3 3.66Å; L150-W157 HydrophobicContact CD1-CD2 4.16Å; L150-W157 HydrophobicContact CD1-CE3 4.26Å; L150-W157 HydrophobicContact CD1-CH2 4.08Å; L150-W157 HydrophobicContact CD1-CZ2 3.95Å; L150-W157 HydrophobicContact CD1-CZ3 4.21Å; L150-A177 HydrophobicContact CD1-CB 4.02Å; L150-L180 HydrophobicContact CD2-CB 4.4Å; L150-L184 HydrophobicContact CD2-CD1 3.89Å
151	N	98.3	Very high	98.1	Very high	46 Å²	46	56.5 Å²	56.5	25%	0.246	31%	0.312	C	S	.	.			trans	-73.7	163.4	179.9	-67.9	-28.3	0	0	0	111.4	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3.11Å; N151-D153 VanDerWaalsContact O-N 3.07Å; N151-L154 PolarHBondContact O-N 2.85Å; N151-S156 WeakPolarHBondContact CB-O 3.22Å; N151-S156 WeakPolarHBondContact CB-OG 3.36Å; N151-S156 PolarHBondContact N-O 2.82Å; N151-S156 PolarHBondContact ND2-O 2.98Å; N151-S156 PolarHBondContact ND2-OG 3.03Å; N151-T158 PolarHBondContact ND2-OG1 2.89Å; N151-T158 WeakPolarHBondContact OD1-CB 3.37Å; N151-T158 PolarHBondContact OD1-OG1 2.85Å
152	E	96.3	Very high	98	Very high	136 Å²	136	62.5 Å²	62.5	64%	0.636	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-22.2	-179.8	-66	-178.4	-177.2	0	0	113.6	R135 L154	R135-E152 IonicContact CZ-OE1 2.77Å; R135-E152 IonicContact NH1-OE1 3.08Å; R135-E152 PolarHBondContact NH1-OE1 2.96Å; R135-E152 VanDerWaalsContact NH2-CG 3.28Å; R135-E152 IonicContact NH2-OE1 2.85Å; R135-E152 PolarHBondContact NH2-OE1 3.19Å; E152-L154 PolarHBondContact O-N 2.9Å
153	D	96.6	Very high	98	Very high	80 Å²	80	62.5 Å²	62.5	43%	0.428	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-9.4	174.8	69.5	5.2	0	0	0	114	N151 R155 S156	N151-D153 PolarHBondContact O-N 3.11Å; N151-D153 VanDerWaalsContact O-N 3.07Å; D153-R155 WeakPolarHBondContact O-CG 3.48Å; D153-R155 PolarHBondContact O-N 3.18Å; D153-R155 PolarHBondContact OD1-N 3.16Å; D153-S156 VanDerWaalsContact CG-OG 3.25Å; D153-S156 PolarHBondContact OD1-N 2.79Å; D153-S156 PolarHBondContact OD1-OG 3.28Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 WeakPolarHBondContact OD2-CB 3.33Å; D153-S156 PolarHBondContact OD2-OG 2.77Å
154	L	97.4	Very high	98	Very high	8 Å²	8	59.4 Å²	59.4	4%	0.042	33%	0.325	C	S	.	.	S	Bend	trans	53.3	29.4	-175.4	-51.7	177.1	0	0	0	113.6	F133 L150 N151 E152 R181 L184	F133-L154 HydrophobicContact CE1-CD1 3.9Å; F133-L154 HydrophobicContact CZ-CD1 3.65Å; L150-L154 HydrophobicContact CD2-CD2 3.78Å; L150-L154 HydrophobicContact CG-CD2 4.32Å; N151-L154 PolarHBondContact O-N 2.85Å; E152-L154 PolarHBondContact O-N 2.9Å; L154-R181 HydrophobicContact CB-CB 4.11Å; L154-R181 HydrophobicContact CB-CG 3.94Å; L154-R181 HydrophobicContact CD1-CG 4.1Å; L154-L184 HydrophobicContact CD2-CD1 4.18Å
155	R	96.9	Very high	98.1	Very high	166 Å²	166	59.3 Å²	59.3	63%	0.626	31%	0.308	S	S	*	.	S	Bend	trans	-134.9	-30.9	-175.8	-70.3	172.1	-175.2	-103.1	12.2	112.5	D153 R181	D153-R155 WeakPolarHBondContact O-CG 3.48Å; D153-R155 PolarHBondContact O-N 3.18Å; D153-R155 PolarHBondContact OD1-N 3.16Å; R155-R181 VanDerWaalsContact CZ-NH1 3.25Å
156	S	97.5	Very high	98.1	Very high	36 Å²	36	54.7 Å²	54.7	25%	0.252	29%	0.29	S	S	.	.			trans	-117.4	159.4	-175.7	65.9	0	0	0	0	112.2	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.22Å; N151-S156 WeakPolarHBondContact CB-OG 3.36Å; N151-S156 PolarHBondContact N-O 2.82Å; N151-S156 PolarHBondContact ND2-O 2.98Å; N151-S156 PolarHBondContact ND2-OG 3.03Å; D153-S156 VanDerWaalsContact CG-OG 3.25Å; D153-S156 PolarHBondContact OD1-N 2.79Å; D153-S156 PolarHBondContact OD1-OG 3.28Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 WeakPolarHBondContact OD2-CB 3.33Å; D153-S156 PolarHBondContact OD2-OG 2.77Å
157	W	98.6	Very high	98.1	Very high	4 Å²	4	49 Å²	49	2%	0.015	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	140	-176.4	-61.8	95.5	0	0	0	111.8	R138 I148 A149 L150 K168 W171 E176 A177 L180	R138-W157 HydrophobicContact CG-CH2 4.28Å; R138-W157 HydrophobicContact CG-CZ3 4.27Å; I148-W157 HydrophobicContact CD1-CB 4.25Å; I148-W157 HydrophobicContact CD1-CD2 4.41Å; I148-W157 HydrophobicContact CD1-CE3 4.18Å; I148-W157 HydrophobicContact CD1-CG 4.47Å; I148-W157 HydrophobicContact CG1-CB 4.37Å; I148-W157 HydrophobicContact CG1-CE3 4.05Å; A149-W157 WeakPolarHBondContact O-CA 3.48Å; L150-W157 HydrophobicContact CB-CE3 4.02Å; L150-W157 HydrophobicContact CB-CH2 4.12Å; L150-W157 HydrophobicContact CB-CZ3 3.66Å; L150-W157 HydrophobicContact CD1-CD2 4.16Å; L150-W157 HydrophobicContact CD1-CE3 4.26Å; L150-W157 HydrophobicContact CD1-CH2 4.08Å; L150-W157 HydrophobicContact CD1-CZ2 3.95Å; L150-W157 HydrophobicContact CD1-CZ3 4.21Å; W157-K168 HydrophobicContact CB-CD 4.16Å; W157-K168 HydrophobicContact CB-CG 4.07Å; W157-K168 WeakPolarHBondContact O-CE 3.4Å; W157-K168 PolarHBondContact O-NZ 3.19Å; W157-W171 AromaticContact CD2-CE3 3.99Å; W157-W171 HydrophobicContact CD2-CE3 3.99Å; W157-W171 AromaticContact CE2-CE3 3.79Å; W157-W171 AromaticContact CE3-CE3 3.86Å; W157-W171 HydrophobicContact CE3-CE3 3.86Å; W157-W171 AromaticContact CE3-CZ3 3.95Å; W157-W171 HydrophobicContact CE3-CZ3 3.95Å; W157-W171 HydrophobicContact CH2-CD2 4.49Å; W157-W171 AromaticContact CH2-CE3 3.31Å; W157-W171 HydrophobicContact CH2-CE3 3.31Å; W157-W171 HydrophobicContact CH2-CH2 4.45Å; W157-W171 AromaticContact CH2-CZ3 3.3Å; W157-W171 HydrophobicContact CH2-CZ3 3.3Å; W157-W171 HydrophobicContact CZ2-CD2 4.38Å; W157-W171 AromaticContact CZ2-CE3 3.46Å; W157-W171 HydrophobicContact CZ2-CE3 3.46Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.46Å; W157-W171 AromaticContact CZ2-CZ3 3.97Å; W157-W171 HydrophobicContact CZ2-CZ3 3.97Å; W157-W171 AromaticContact CZ3-CE3 3.55Å; W157-W171 HydrophobicContact CZ3-CE3 3.55Å; W157-W171 AromaticContact CZ3-CZ3 3.31Å; W157-W171 HydrophobicContact CZ3-CZ3 3.31Å; W157-E176 HydrophobicContact CZ2-CB 4.32Å; W157-A177 HydrophobicContact CZ2-CB 4.3Å; W157-L180 HydrophobicContact CH2-CD1 3.37Å; W157-L180 HydrophobicContact CZ2-CD1 3.71Å
158	T	98.6	Very high	98	Very high	75 Å²	75	50.6 Å²	50.6	46%	0.46	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	121.6	166.7	-66.1	0	0	0	0	109	I148 A149 N151	I148-T158 CarbonylContact C-O 3.59Å; I148-T158 WeakPolarHBondContact CA-O 3.34Å; I148-T158 WeakPolarHBondContact CG1-O 2.84Å; A149-T158 PolarHBondContact N-O 2.86Å; A149-T158 PolarHBondContact O-N 3.29Å; N151-T158 PolarHBondContact ND2-OG1 2.89Å; N151-T158 WeakPolarHBondContact OD1-CB 3.37Å; N151-T158 PolarHBondContact OD1-OG1 2.85Å
159	A	98.6	Very high	98	Very high	16 Å²	16	57.5 Å²	57.5	13%	0.132	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	132.2	178.1	0	0	0	0	0	109.4	A164 Q165 K168	A159-A164 HydrophobicContact CB-CB 3.68Å; A159-Q165 HydrophobicContact CB-CG 4.25Å; A159-K168 HydrophobicContact CB-CB 4.28Å; A159-K168 HydrophobicContact CB-CD 4.21Å
160	A	98.4	Very high	98	Very high	62 Å²	62	61.9 Å²	61.9	51%	0.512	31%	0.308	S	S	.	.	S	Bend	trans	-75.1	-32.2	-173.5	0	0	0	0	0	113.4	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.36Å; D146-A160 WeakPolarHBondContact O-CB 3.49Å; Y147-A160 WeakPolarHBondContact O-CB 3.32Å; Y147-A160 PolarHBondContact O-N 3.22Å
161	D	98	Very high	98	Very high	60 Å²	60	63.9 Å²	63.9	32%	0.321	32%	0.315	S	S	.	.	S	Bend	trans	-148.8	-175.7	-177.8	69	26.3	0	0	0	113.4	Y109 A163 A164 Q165	Y109-D161 VanDerWaalsContact CE1-OD2 3.22Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.48Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 2.87Å; Y109-D161 PolarHBondContact OH-OD2 2.88Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 2.9Å; D161-A163 WeakPolarHBondContact OD1-CA 3.24Å; D161-A163 WeakPolarHBondContact OD1-CB 3.42Å; D161-A163 PolarHBondContact OD1-N 2.87Å; D161-A164 PolarHBondContact O-N 3.3Å; D161-A164 PolarHBondContact OD1-N 2.95Å; D161-Q165 WeakPolarHBondContact O-CG 3.48Å; D161-Q165 PolarHBondContact O-N 2.93Å
162	M	97.9	Very high	98	Very high	144 Å²	144	65.9 Å²	65.9	71%	0.709	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-28	-178.4	-68.9	-59	-62.8	0	0	114.2
163	A	97.9	Very high	98.1	Very high	10 Å²	10	63.3 Å²	63.3	8%	0.083	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-45	175	0	0	0	0	0	109.9	Y108 Y109 Y147 D161 Q165 I166	Y108-A163 HydrophobicContact CD2-CB 4.43Å; Y109-A163 HydrophobicContact CD1-CB 4.2Å; Y109-A163 HydrophobicContact CD2-CB 4.44Å; Y109-A163 HydrophobicContact CE1-CB 3.62Å; Y109-A163 HydrophobicContact CE2-CB 3.89Å; Y109-A163 VanDerWaalsContact CZ-CB 3.45Å; Y147-A163 HydrophobicContact CE2-CB 4.37Å; Y147-A163 PolarHBondContact OH-O 3.08Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 2.9Å; D161-A163 WeakPolarHBondContact OD1-CA 3.24Å; D161-A163 WeakPolarHBondContact OD1-CB 3.42Å; D161-A163 PolarHBondContact OD1-N 2.87Å; A163-Q165 PolarHBondContact O-N 3.28Å; A163-I166 VanDerWaalsContact O-CB 3.24Å; A163-I166 WeakPolarHBondContact O-CB 3.43Å; A163-I166 PolarHBondContact O-N 3.16Å
164	A	98.4	Very high	98.1	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-60.1	-31.4	174.5	0	0	0	0	0	113.2	Y147 A159 D161 I166 T167 K168	Y147-A164 HydrophobicContact CD2-CB 3.8Å; Y147-A164 HydrophobicContact CE1-CB 4.4Å; Y147-A164 VanDerWaalsContact CE2-CA 3.5Å; Y147-A164 HydrophobicContact CE2-CB 3.65Å; Y147-A164 HydrophobicContact CG-CB 4.24Å; Y147-A164 WeakPolarHBondContact O-CB 3.37Å; A159-A164 HydrophobicContact CB-CB 3.68Å; D161-A164 PolarHBondContact O-N 3.3Å; D161-A164 PolarHBondContact OD1-N 2.95Å; A164-I166 PolarHBondContact O-N 3.11Å; A164-T167 PolarHBondContact O-N 3.29Å; A164-T167 VanDerWaalsContact O-N 3.16Å; A164-K168 PolarHBondContact O-N 2.9Å
165	Q	98.6	Very high	98.1	Very high	57 Å²	57	66.5 Å²	66.5	27%	0.266	35%	0.345	S	S	.	.	H	α-helix	trans	-60.1	-28.6	172.4	-69	-69	-20	0	0	112.8	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4.25Å; D161-Q165 WeakPolarHBondContact O-CG 3.48Å; D161-Q165 PolarHBondContact O-N 2.93Å; A163-Q165 PolarHBondContact O-N 3.28Å; Q165-R169 WeakPolarHBondContact O-CG 3.32Å; Q165-R169 PolarHBondContact O-N 2.69Å
166	I	98.3	Very high	98.1	Very high	61 Å²	61	61.6 Å²	61.6	31%	0.313	33%	0.329	S	S	.	.	H	α-helix	trans	-68.3	-47.7	175.1	-55.4	171.7	0	0	0	109.7	Y108 A163 A164 R169 K170	Y108-I166 HydrophobicContact CD1-CD1 4.2Å; Y108-I166 HydrophobicContact CD2-CD1 4.4Å; Y108-I166 HydrophobicContact CE1-CD1 4.36Å; Y108-I166 HydrophobicContact CE1-CG2 4.15Å; Y108-I166 HydrophobicContact CE2-CB 4.07Å; Y108-I166 HydrophobicContact CE2-CG2 4.03Å; Y108-I166 HydrophobicContact CG-CD1 4.23Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.49Å; A163-I166 VanDerWaalsContact O-CB 3.24Å; A163-I166 WeakPolarHBondContact O-CB 3.43Å; A163-I166 PolarHBondContact O-N 3.16Å; A164-I166 PolarHBondContact O-N 3.11Å; I166-R169 PolarHBondContact O-N 2.71Å; I166-K170 WeakPolarHBondContact O-CG 3.28Å; I166-K170 PolarHBondContact O-N 2.65Å
167	T	98.3	Very high	98.1	Very high	16 Å²	16	60.2 Å²	60.2	10%	0.098	32%	0.32	C	S	.	.	H	α-helix	trans	-61.3	-46.2	175.3	-68.2	0	0	0	0	111.2	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.19Å; Y147-T167 WeakPolarHBondContact OH-CB 3.25Å; Y147-T167 PolarHBondContact OH-OG1 3.47Å; I148-T167 HydrophobicContact CD1-CG2 4.08Å; A164-T167 PolarHBondContact O-N 3.29Å; A164-T167 VanDerWaalsContact O-N 3.16Å; T167-R169 VanDerWaalsContact C-N 3.34Å; T167-R169 PolarHBondContact O-N 2.82Å; T167-K170 WeakPolarHBondContact O-CB 3.49Å; T167-K170 PolarHBondContact O-N 2.83Å; T167-W171 HydrophobicContact CG2-CD2 3.74Å; T167-W171 HydrophobicContact CG2-CE3 4.23Å; T167-W171 HydrophobicContact CG2-CG 4.08Å; T167-W171 HydrophobicContact CG2-CH2 4.46Å; T167-W171 HydrophobicContact CG2-CZ2 3.99Å; T167-W171 PolarHBondContact O-N 2.93Å
168	K	98.6	Very high	98	Very high	45 Å²	45	66 Å²	66	20%	0.196	35%	0.347	C	S	.	.	H	α-helix	trans	-50.5	-51.4	177	174.6	170.2	176.9	171.1	0	112.1	I148 W157 A159 A164 K170 W171 E172	I148-K168 HydrophobicContact CD1-CB 3.89Å; W157-K168 HydrophobicContact CB-CD 4.16Å; W157-K168 HydrophobicContact CB-CG 4.07Å; W157-K168 WeakPolarHBondContact O-CE 3.4Å; W157-K168 PolarHBondContact O-NZ 3.19Å; A159-K168 HydrophobicContact CB-CB 4.28Å; A159-K168 HydrophobicContact CB-CD 4.21Å; A164-K168 PolarHBondContact O-N 2.9Å; K168-K170 VanDerWaalsContact C-N 3.32Å; K168-K170 PolarHBondContact O-N 3.44Å; K168-W171 PolarHBondContact O-N 3.18Å; K168-E172 WeakPolarHBondContact CE-OE1 3.22Å; K168-E172 HydrophobicContact CG-CG 4.34Å; K168-E172 IonicContact NZ-OE1 3.5Å; K168-E172 WeakPolarHBondContact O-CB 3.44Å; K168-E172 VanDerWaalsContact O-CG 3.32Å; K168-E172 WeakPolarHBondContact O-CG 3.36Å; K168-E172 PolarHBondContact O-N 2.82Å
169	R	98.6	Very high	97.8	Very high	149 Å²	149	68.7 Å²	68.7	56%	0.562	35%	0.354	S	S	*	.	H	α-helix	trans	-61.5	-38.3	179.3	-69.5	171.8	-165.3	143.6	4.9	112.8	Q165 I166 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.32Å; Q165-R169 PolarHBondContact O-N 2.69Å; I166-R169 PolarHBondContact O-N 2.71Å; T167-R169 VanDerWaalsContact C-N 3.34Å; T167-R169 PolarHBondContact O-N 2.82Å; R169-A173 WeakPolarHBondContact O-CB 3.45Å; R169-A173 PolarHBondContact O-N 3.42Å
170	K	98.1	Very high	97.7	Very high	117 Å²	117	69.6 Å²	69.6	51%	0.509	36%	0.357	S	S	.	.	H	α-helix	trans	-65.9	-46.5	177.1	-70.2	-179	176.5	-176.2	0	111.2	Y108 I166 T167 K168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 3.25Å; I166-K170 WeakPolarHBondContact O-CG 3.28Å; I166-K170 PolarHBondContact O-N 2.65Å; T167-K170 WeakPolarHBondContact O-CB 3.49Å; T167-K170 PolarHBondContact O-N 2.83Å; K168-K170 VanDerWaalsContact C-N 3.32Å; K168-K170 PolarHBondContact O-N 3.44Å; K170-A173 PolarHBondContact O-N 3.26Å; K170-A174 WeakPolarHBondContact O-CB 3.34Å; K170-A174 PolarHBondContact O-N 2.86Å
171	W	98.1	Very high	97.7	Very high	53 Å²	53	70.8 Å²	70.8	20%	0.201	35%	0.348	C	S	.	.	H	α-helix	trans	-68.5	-36.7	-179.4	-73.8	5.3	0	0	0	112.8	I148 W157 T167 K168 A174 H175 E176	I148-W171 HydrophobicContact CD1-CE3 4.07Å; I148-W171 HydrophobicContact CD1-CZ3 4.35Å; I148-W171 HydrophobicContact CG2-CH2 4.12Å; I148-W171 HydrophobicContact CG2-CZ3 3.79Å; W157-W171 AromaticContact CD2-CE3 3.99Å; W157-W171 HydrophobicContact CD2-CE3 3.99Å; W157-W171 AromaticContact CE2-CE3 3.79Å; W157-W171 AromaticContact CE3-CE3 3.86Å; W157-W171 HydrophobicContact CE3-CE3 3.86Å; W157-W171 AromaticContact CE3-CZ3 3.95Å; W157-W171 HydrophobicContact CE3-CZ3 3.95Å; W157-W171 HydrophobicContact CH2-CD2 4.49Å; W157-W171 AromaticContact CH2-CE3 3.31Å; W157-W171 HydrophobicContact CH2-CE3 3.31Å; W157-W171 HydrophobicContact CH2-CH2 4.45Å; W157-W171 AromaticContact CH2-CZ3 3.3Å; W157-W171 HydrophobicContact CH2-CZ3 3.3Å; W157-W171 HydrophobicContact CZ2-CD2 4.38Å; W157-W171 AromaticContact CZ2-CE3 3.46Å; W157-W171 HydrophobicContact CZ2-CE3 3.46Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.46Å; W157-W171 AromaticContact CZ2-CZ3 3.97Å; W157-W171 HydrophobicContact CZ2-CZ3 3.97Å; W157-W171 AromaticContact CZ3-CE3 3.55Å; W157-W171 HydrophobicContact CZ3-CE3 3.55Å; W157-W171 AromaticContact CZ3-CZ3 3.31Å; W157-W171 HydrophobicContact CZ3-CZ3 3.31Å; T167-W171 HydrophobicContact CG2-CD2 3.74Å; T167-W171 HydrophobicContact CG2-CE3 4.23Å; T167-W171 HydrophobicContact CG2-CG 4.08Å; T167-W171 HydrophobicContact CG2-CH2 4.46Å; T167-W171 HydrophobicContact CG2-CZ2 3.99Å; T167-W171 PolarHBondContact O-N 2.93Å; K168-W171 PolarHBondContact O-N 3.18Å; W171-A174 CarbonylContact O-C 3.57Å; W171-A174 PolarHBondContact O-N 3.16Å; W171-H175 PolarHBondContact O-N 2.85Å; W171-E176 HydrophobicContact CB-CB 4.01Å; W171-E176 HydrophobicContact CB-CG 3.86Å; W171-E176 HydrophobicContact CG-CB 4.25Å; W171-E176 HydrophobicContact CG-CG 3.86Å; W171-E176 PolarHBondContact O-N 2.72Å
172	E	98.3	Very high	97.7	Very high	88 Å²	88	71.2 Å²	71.2	41%	0.411	36%	0.36	S	S	.	.	H	α-helix	trans	-64.2	-45.4	172.1	-74.1	174.3	161.1	0	0	111.4	K168 A174 H175	K168-E172 WeakPolarHBondContact CE-OE1 3.22Å; K168-E172 HydrophobicContact CG-CG 4.34Å; K168-E172 IonicContact NZ-OE1 3.5Å; K168-E172 WeakPolarHBondContact O-CB 3.44Å; K168-E172 VanDerWaalsContact O-CG 3.32Å; K168-E172 WeakPolarHBondContact O-CG 3.36Å; K168-E172 PolarHBondContact O-N 2.82Å; E172-A174 VanDerWaalsContact C-N 3.25Å; E172-A174 PolarHBondContact O-N 2.88Å; E172-H175 PolarHBondContact O-N 2.87Å
173	A	98.2	Very high	97.7	Very high	83 Å²	83	67.3 Å²	67.3	69%	0.686	34%	0.338	S	S	*	.	H	α-helix	trans	-65.4	-28.6	177.1	0	0	0	0	0	113.2	R169 K170	R169-A173 WeakPolarHBondContact O-CB 3.45Å; R169-A173 PolarHBondContact O-N 3.42Å; K170-A173 PolarHBondContact O-N 3.26Å
174	A	97.7	Very high	97.7	Very high	47 Å²	47	66.9 Å²	66.9	39%	0.388	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-0.1	177.1	0	0	0	0	0	113.8	K170 W171 E172 E176	K170-A174 WeakPolarHBondContact O-CB 3.34Å; K170-A174 PolarHBondContact O-N 2.86Å; W171-A174 CarbonylContact O-C 3.57Å; W171-A174 PolarHBondContact O-N 3.16Å; E172-A174 VanDerWaalsContact C-N 3.25Å; E172-A174 PolarHBondContact O-N 2.88Å; A174-E176 HydrophobicContact CB-CG 4.02Å; A174-E176 PolarHBondContact O-N 2.71Å
175	H	96.9	Very high	97.6	Very high	108 Å²	108	70.4 Å²	70.4	50%	0.5	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	33.3	-177.6	-62.7	-94	0	0	0	114	W171 E172 A177 E178	W171-H175 PolarHBondContact O-N 2.85Å; E172-H175 PolarHBondContact O-N 2.87Å; H175-A177 PolarHBondContact O-N 2.84Å; H175-E178 HydrophobicContact CB-CG 4.41Å; H175-E178 IonicContact CE1-OE1 2.72Å; H175-E178 IonicContact CG-OE1 3.82Å; H175-E178 IonicContact ND1-OE1 3.64Å; H175-E178 PolarHBondContact ND1-OE1 2.76Å; H175-E178 WeakPolarHBondContact O-CB 3.05Å; H175-E178 PolarHBondContact O-N 2.81Å
176	E	96.8	Very high	97.5	Very high	62 Å²	62	68.8 Å²	68.8	29%	0.29	35%	0.351	S	S	.	.	H	α-helix	trans	-58.6	-34.1	-175.7	-67.7	-68.7	174.4	0	0	113	W157 W171 A174 E178 Q179 L180	W157-E176 HydrophobicContact CZ2-CB 4.32Å; W171-E176 HydrophobicContact CB-CB 4.01Å; W171-E176 HydrophobicContact CB-CG 3.86Å; W171-E176 HydrophobicContact CG-CB 4.25Å; W171-E176 HydrophobicContact CG-CG 3.86Å; W171-E176 PolarHBondContact O-N 2.72Å; A174-E176 HydrophobicContact CB-CG 4.02Å; A174-E176 PolarHBondContact O-N 2.71Å; E176-E178 PolarHBondContact O-N 2.55Å; E176-Q179 PolarHBondContact O-N 3.38Å; E176-L180 PolarHBondContact O-N 3.07Å
177	A	97.6	Very high	97.5	Very high	7 Å²	7	68.6 Å²	68.6	6%	0.058	35%	0.353	C	S	.	.	H	α-helix	trans	-61.2	-32	178.5	0	0	0	0	0	112.5	L150 W157 H175 R181	L150-A177 HydrophobicContact CD1-CB 4.02Å; W157-A177 HydrophobicContact CZ2-CB 4.3Å; H175-A177 PolarHBondContact O-N 2.84Å; A177-R181 WeakPolarHBondContact O-CB 3.31Å; A177-R181 PolarHBondContact O-N 2.87Å
178	E	96.5	Very high	97.5	Very high	127 Å²	127	67.9 Å²	67.9	59%	0.593	35%	0.349	S	S	*	.	H	α-helix	trans	-69.5	-41.3	179.7	-63.4	177.5	-157.9	0	0	111.4	H175 E176 R181 A182	H175-E178 HydrophobicContact CB-CG 4.41Å; H175-E178 IonicContact CE1-OE1 2.72Å; H175-E178 IonicContact CG-OE1 3.82Å; H175-E178 IonicContact ND1-OE1 3.64Å; H175-E178 PolarHBondContact ND1-OE1 2.76Å; H175-E178 WeakPolarHBondContact O-CB 3.05Å; H175-E178 PolarHBondContact O-N 2.81Å; E176-E178 PolarHBondContact O-N 2.55Å; E178-R181 PolarHBondContact O-N 3.26Å; E178-A182 PolarHBondContact O-N 3.47Å
179	Q	94.8	Very high	97.5	Very high	131 Å²	131	66 Å²	66	61%	0.612	34%	0.341	S	S	*	.	H	α-helix	trans	-67.1	-45.7	176.5	-60.7	-173.8	20.2	0	0	111.3	E176 R181 A182 Y183	E176-Q179 PolarHBondContact O-N 3.38Å; Q179-R181 VanDerWaalsContact C-N 3.33Å; Q179-R181 PolarHBondContact O-N 2.7Å; Q179-A182 PolarHBondContact O-N 2.79Å; Q179-Y183 PolarHBondContact O-N 2.98Å; Q179-Y183 VanDerWaalsContact O-N 3.11Å
180	L	96.8	Very high	97.4	Very high	35 Å²	35	65 Å²	65	18%	0.183	34%	0.343	C	S	.	.	H	α-helix	trans	-61.4	-43.2	176.6	-75.6	169.5	0	0	0	111.4	R138 L150 W157 E176 A182 Y183 L184	R138-L180 HydrophobicContact CG-CD1 4.14Å; L150-L180 HydrophobicContact CD2-CB 4.4Å; W157-L180 HydrophobicContact CH2-CD1 3.37Å; W157-L180 HydrophobicContact CZ2-CD1 3.71Å; E176-L180 PolarHBondContact O-N 3.07Å; L180-A182 VanDerWaalsContact C-N 3.34Å; L180-A182 PolarHBondContact O-N 3.32Å; L180-Y183 PolarHBondContact O-N 2.84Å; L180-L184 WeakPolarHBondContact O-CB 3.47Å; L180-L184 WeakPolarHBondContact O-CG 3.35Å; L180-L184 PolarHBondContact O-N 3.29Å
181	R	97.5	Very high	97.4	Very high	86 Å²	86	62.8 Å²	62.8	33%	0.325	33%	0.331	S	S	.	.	H	α-helix	trans	-59.3	-45.3	175.8	-178.1	177	173.8	-160.3	-3.6	111.7	L154 R155 A177 E178 Q179 Y183 L184 D185	L154-R181 HydrophobicContact CB-CB 4.11Å; L154-R181 HydrophobicContact CB-CG 3.94Å; L154-R181 HydrophobicContact CD1-CG 4.1Å; R155-R181 VanDerWaalsContact CZ-NH1 3.25Å; A177-R181 WeakPolarHBondContact O-CB 3.31Å; A177-R181 PolarHBondContact O-N 2.87Å; E178-R181 PolarHBondContact O-N 3.26Å; Q179-R181 VanDerWaalsContact C-N 3.33Å; Q179-R181 PolarHBondContact O-N 2.7Å; R181-Y183 VanDerWaalsContact C-N 3.27Å; R181-Y183 PolarHBondContact O-N 2.83Å; R181-L184 PolarHBondContact O-N 3.28Å; R181-D185 VanDerWaalsContact O-CB 3.23Å; R181-D185 WeakPolarHBondContact O-CB 3.42Å; R181-D185 PolarHBondContact O-N 3.09Å
182	A	97.4	Very high	97.4	Very high	69 Å²	69	60.3 Å²	60.3	57%	0.57	32%	0.322	S	S	*	.	H	α-helix	trans	-59.4	-39	178.3	0	0	0	0	0	112.2	E178 Q179 L180 G186	E178-A182 PolarHBondContact O-N 3.47Å; Q179-A182 PolarHBondContact O-N 2.79Å; L180-A182 VanDerWaalsContact C-N 3.34Å; L180-A182 PolarHBondContact O-N 3.32Å; A182-G186 PolarHBondContact O-N 2.9Å
183	Y	97.6	Very high	97.4	Very high	63 Å²	63	61.7 Å²	61.7	25%	0.247	32%	0.323	C	S	.	.	I	π-helix	trans	-68.3	-48.6	173.6	173.3	-95.7	0	0	0	112.6	Y123 Q179 L180 R181 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.87Å; Y123-Y183 HydrophobicContact CD2-CE1 3.87Å; Y123-Y183 AromaticContact CE2-CE1 3.71Å; Y123-Y183 HydrophobicContact CE2-CE1 3.71Å; Q179-Y183 PolarHBondContact O-N 2.98Å; Q179-Y183 VanDerWaalsContact O-N 3.11Å; L180-Y183 PolarHBondContact O-N 2.84Å; R181-Y183 VanDerWaalsContact C-N 3.27Å; R181-Y183 PolarHBondContact O-N 2.83Å; Y183-T187 HydrophobicContact CD2-CG2 4Å; Y183-T187 HydrophobicContact CE2-CG2 3.91Å; Y183-T187 PolarHBondContact O-N 2.99Å; Y183-T187 VanDerWaalsContact O-N 3.12Å; Y183-C188 HydrophobicContact CD1-CB 4.35Å; Y183-C188 HydrophobicContact CE1-CB 3.96Å; Y183-C188 WeakPolarHBondContact O-CB 3.43Å; Y183-C188 PolarHBondContact O-N 3.34Å
184	L	98.1	Very high	97.3	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.005	31%	0.313	C	S	.	.	I	π-helix	trans	-69	-40.1	-172.5	-69	172.9	0	0	0	113.2	G124 F133 L150 L154 L180 R181	G124-L184 VanDerWaalsContact O-CD2 3.27Å; G124-L184 WeakPolarHBondContact O-CD2 3.43Å; F133-L184 VanDerWaalsContact CE2-O 3.32Å; F133-L184 WeakPolarHBondContact CE2-O 3.32Å; L150-L184 HydrophobicContact CD2-CD1 3.89Å; L154-L184 HydrophobicContact CD2-CD1 4.18Å; L180-L184 WeakPolarHBondContact O-CB 3.47Å; L180-L184 WeakPolarHBondContact O-CG 3.35Å; L180-L184 PolarHBondContact O-N 3.29Å; R181-L184 PolarHBondContact O-N 3.28Å
185	D	96.3	Very high	97.3	Very high	74 Å²	74	61.4 Å²	61.4	40%	0.396	29%	0.294	S	S	.	.	I	π-helix	trans	-80.1	-33.6	179	179	-31.1	0	0	0	111.7	R181 V189	R181-D185 VanDerWaalsContact O-CB 3.23Å; R181-D185 WeakPolarHBondContact O-CB 3.42Å; R181-D185 PolarHBondContact O-N 3.09Å; D185-V189 WeakPolarHBondContact O-CG2 3.41Å
186	G	97.3	Very high	97.3	Very high	23 Å²	23	56.9 Å²	56.9	24%	0.237	27%	0.274	C	S	.	.	I	π-helix	trans	-100.3	-88.7	-178.1	0	0	0	0	0	113.4	A182 C188 V189 E190	A182-G186 PolarHBondContact O-N 2.9Å; G186-C188 VanDerWaalsContact C-N 3.33Å; G186-C188 PolarHBondContact O-N 2.6Å; G186-V189 PolarHBondContact O-N 2.81Å; G186-V189 VanDerWaalsContact O-N 3.08Å; G186-E190 WeakPolarHBondContact O-CG 3.5Å; G186-E190 PolarHBondContact O-N 3.23Å
187	T	97.5	Very high	97.3	Very high	57 Å²	57	60 Å²	60	35%	0.35	29%	0.288	S	S	.	.	I	π-helix	trans	-55.9	-42	-169.4	-56.4	0	0	0	0	113.5	Y183 V189 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 4Å; Y183-T187 HydrophobicContact CE2-CG2 3.91Å; Y183-T187 PolarHBondContact O-N 2.99Å; Y183-T187 VanDerWaalsContact O-N 3.12Å; T187-V189 PolarHBondContact O-N 3.23Å; T187-E190 PolarHBondContact O-N 2.83Å; T187-W191 PolarHBondContact O-N 3.5Å
188	C	98.3	Very high	97.2	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60.8	-45.7	178.4	-176.2	0	0	0	0	111.5	M29 C125 Y183 G186 W191 L192	M29-C188 HydrophobicContact CE-CB 4.13Å; M29-C188 WeakPolarHBondContact CE-O 3.47Å; M29-C188 WeakPolarHBondContact CE-SG 3.14Å; C125-C188 HydrophobicContact CB-CB 3.88Å; C125-C188 WeakPolarHBondContact CB-SG 3.37Å; C125-C188 PolarHBondContact N-SG 3.33Å; C125-C188 VanDerWaalsContact N-SG 3.37Å; C125-C188 WeakPolarHBondContact SG-CB 3.3Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.86Å; Y183-C188 HydrophobicContact CD1-CB 4.35Å; Y183-C188 HydrophobicContact CE1-CB 3.96Å; Y183-C188 WeakPolarHBondContact O-CB 3.43Å; Y183-C188 PolarHBondContact O-N 3.34Å; G186-C188 VanDerWaalsContact C-N 3.33Å; G186-C188 PolarHBondContact O-N 2.6Å; C188-W191 PolarHBondContact O-N 2.84Å; C188-L192 WeakPolarHBondContact O-CB 3.34Å; C188-L192 PolarHBondContact O-N 2.95Å
189	V	98.3	Very high	97.1	Very high	6 Å²	6	56.1 Å²	56.1	4%	0.036	27%	0.271	C	S	.	.	H	α-helix	trans	-65.7	-42.4	179.1	173.7	0	0	0	0	111.3	C125 V127 F133 D185 G186 T187 L192 R193	C125-V189 HydrophobicContact CB-CG2 4.45Å; V127-V189 HydrophobicContact CG1-CB 4.35Å; V127-V189 HydrophobicContact CG1-CG1 3.86Å; V127-V189 HydrophobicContact CG1-CG2 4.02Å; F133-V189 HydrophobicContact CB-CG2 4.03Å; F133-V189 HydrophobicContact CD2-CG2 3.58Å; F133-V189 HydrophobicContact CG-CG2 4.27Å; D185-V189 WeakPolarHBondContact O-CG2 3.41Å; G186-V189 PolarHBondContact O-N 2.81Å; G186-V189 VanDerWaalsContact O-N 3.08Å; T187-V189 PolarHBondContact O-N 3.23Å; V189-L192 PolarHBondContact O-N 2.84Å; V189-R193 WeakPolarHBondContact O-CG 3.43Å; V189-R193 PolarHBondContact O-N 2.91Å
190	E	98	Very high	97.1	Very high	129 Å²	129	55.2 Å²	55.2	60%	0.603	27%	0.265	S	S	*	.	H	α-helix	trans	-60.5	-46.9	177.3	-70.8	176.9	170.4	0	0	111.8	G186 T187 R193 R194	G186-E190 WeakPolarHBondContact O-CG 3.5Å; G186-E190 PolarHBondContact O-N 3.23Å; T187-E190 PolarHBondContact O-N 2.83Å; E190-R193 PolarHBondContact O-N 2.83Å; E190-R194 PolarHBondContact O-N 2.83Å; E190-R194 VanDerWaalsContact O-N 3.11Å
191	W	98.1	Very high	96.8	Very high	70 Å²	70	62.1 Å²	62.1	27%	0.265	30%	0.297	S	S	.	.	H	α-helix	trans	-66.8	-43.2	177.1	-82.1	111.4	0	0	0	112.6	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.03Å; M29-W191 HydrophobicContact SD-CB 4.49Å; Y83-W191 AromaticContact CD2-CH2 3.45Å; Y83-W191 HydrophobicContact CD2-CH2 3.45Å; Y83-W191 VanDerWaalsContact CD2-CH2 3.45Å; Y83-W191 HydrophobicContact CD2-CZ2 4.03Å; Y83-W191 AromaticContact CD2-CZ3 3.88Å; Y83-W191 HydrophobicContact CD2-CZ3 3.88Å; Y83-W191 HydrophobicContact CE2-CE3 4.39Å; Y83-W191 AromaticContact CE2-CH2 3.83Å; Y83-W191 HydrophobicContact CE2-CH2 3.83Å; Y83-W191 HydrophobicContact CE2-CZ2 4.29Å; Y83-W191 AromaticContact CE2-CZ3 3.88Å; Y83-W191 HydrophobicContact CE2-CZ3 3.88Å; T187-W191 PolarHBondContact O-N 3.5Å; C188-W191 PolarHBondContact O-N 2.84Å; W191-R193 VanDerWaalsContact C-N 3.33Å; W191-R193 PolarHBondContact O-N 2.93Å; W191-R194 WeakPolarHBondContact O-CB 3.47Å; W191-R194 PolarHBondContact O-N 2.74Å; W191-R194 VanDerWaalsContact O-N 3.14Å; W191-Y195 HydrophobicContact CB-CE2 4.06Å; W191-Y195 HydrophobicContact CD2-CE1 4.48Å; W191-Y195 HydrophobicContact CE3-CD1 4.35Å; W191-Y195 AromaticContact CE3-CE1 3.41Å; W191-Y195 HydrophobicContact CE3-CE1 3.41Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.41Å; W191-Y195 HydrophobicContact CE3-CE2 4.37Å; W191-Y195 AromaticContact CE3-CZ 3.42Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.42Å; W191-Y195 AromaticContact CZ3-CE1 3.82Å; W191-Y195 HydrophobicContact CZ3-CE1 3.82Å; W191-Y195 WeakPolarHBondContact O-CD2 3.46Å; W191-Y195 VanDerWaalsContact O-CG 3.23Å; W191-Y195 PolarHBondContact O-N 3.01Å
192	L	98.3	Very high	96.5	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-58.6	-45.1	177.2	174.8	52.8	0	0	0	111	H27 M29 V52 V127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.44Å; M29-L192 HydrophobicContact CB-CB 4.11Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 4.12Å; M29-L192 HydrophobicContact CB-CG 4.3Å; M29-L192 HydrophobicContact CE-CB 4.41Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.25Å; V127-L192 HydrophobicContact CB-CD2 4.35Å; V127-L192 HydrophobicContact CG1-CD2 3.95Å; V127-L192 HydrophobicContact CG2-CD2 3.63Å; V127-L192 HydrophobicContact CG2-CG 4.16Å; C188-L192 WeakPolarHBondContact O-CB 3.34Å; C188-L192 PolarHBondContact O-N 2.95Å; V189-L192 PolarHBondContact O-N 2.84Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 2.88Å; L192-Y195 PolarHBondContact O-N 2.9Å; L192-L196 HydrophobicContact CD1-CD1 3.86Å; L192-L196 HydrophobicContact CD1-CD2 4.42Å; L192-L196 HydrophobicContact CD1-CG 3.88Å; L192-L196 HydrophobicContact CG-CD1 3.98Å; L192-L196 HydrophobicContact CG-CG 4.46Å; L192-L196 WeakPolarHBondContact O-CB 3.29Å; L192-L196 VanDerWaalsContact O-CG 3.26Å; L192-L196 WeakPolarHBondContact O-CG 3.47Å; L192-L196 PolarHBondContact O-N 3Å
193	R	97.1	Very high	96.2	Very high	118 Å²	118	57.1 Å²	57.1	45%	0.445	27%	0.268	S	S	.	.	H	α-helix	trans	-59.7	-43.4	175	-72.4	174.9	-175.4	167.5	3.1	112.4	G131 V189 E190 W191 L196 E197	G131-R193 PolarHBondContact O-NE 3.01Å; G131-R193 PolarHBondContact O-NH2 2.99Å; V189-R193 WeakPolarHBondContact O-CG 3.43Å; V189-R193 PolarHBondContact O-N 2.91Å; E190-R193 PolarHBondContact O-N 2.83Å; W191-R193 VanDerWaalsContact C-N 3.33Å; W191-R193 PolarHBondContact O-N 2.93Å; R193-L196 PolarHBondContact O-N 2.89Å; R193-E197 PolarHBondContact O-N 2.81Å
194	R	97.3	Very high	95.9	Very high	123 Å²	123	58.2 Å²	58.2	46%	0.464	28%	0.276	S	S	.	.	H	α-helix	trans	-61.5	-44.5	176.3	178	177.3	175.2	130	-3.5	111.4	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 2.84Å; E79-R194 IonicContact OE1-NE 2.7Å; E79-R194 PolarHBondContact OE1-NE 3.47Å; E79-R194 IonicContact OE1-NH2 3.32Å; E79-R194 PolarHBondContact OE1-NH2 3.09Å; E79-R194 IonicContact OE2-CZ 3.67Å; E79-R194 IonicContact OE2-NE 3.26Å; E79-R194 IonicContact OE2-NH2 3.65Å; E79-R194 PolarHBondContact OE2-NH2 3.45Å; E190-R194 PolarHBondContact O-N 2.83Å; E190-R194 VanDerWaalsContact O-N 3.11Å; W191-R194 WeakPolarHBondContact O-CB 3.47Å; W191-R194 PolarHBondContact O-N 2.74Å; W191-R194 VanDerWaalsContact O-N 3.14Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 2.88Å; R194-E197 PolarHBondContact O-N 3.24Å; R194-N198 VanDerWaalsContact O-CB 3.32Å; R194-N198 WeakPolarHBondContact O-CB 3.32Å; R194-N198 PolarHBondContact O-N 2.72Å; R194-N198 PolarHBondContact O-OD1 2.9Å
195	Y	97.6	Very high	95.6	Very high	1 Å²	1	61.7 Å²	61.7	0%	0.004	29%	0.289	C	S	.	.	H	α-helix	trans	-66.3	-39.8	178.5	-61.6	-24.6	0	0	0	112.4	M29 V52 F57 W75 I76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.71Å; M29-Y195 HydrophobicContact SD-CE2 3.53Å; M29-Y195 VanDerWaalsContact SD-CE2 3.53Å; V52-Y195 HydrophobicContact CG2-CD2 3.98Å; F57-Y195 HydrophobicContact CD2-CE2 4.44Å; F57-Y195 HydrophobicContact CE2-CD2 4.24Å; F57-Y195 AromaticContact CE2-CE2 3.65Å; F57-Y195 HydrophobicContact CE2-CE2 3.65Å; F57-Y195 HydrophobicContact CZ-CD2 4.3Å; F57-Y195 AromaticContact CZ-CE2 3.83Å; F57-Y195 HydrophobicContact CZ-CE2 3.83Å; W75-Y195 HydrophobicContact CH2-CG 4.24Å; W75-Y195 AromaticContact CZ3-CD1 3.84Å; W75-Y195 HydrophobicContact CZ3-CD1 3.84Å; W75-Y195 HydrophobicContact CZ3-CD2 4.36Å; W75-Y195 AromaticContact CZ3-CG 3.7Å; W75-Y195 HydrophobicContact CZ3-CG 3.7Å; I76-Y195 HydrophobicContact CD1-CD1 3.78Å; I76-Y195 HydrophobicContact CD1-CE1 3.3Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.36Å; Y83-Y195 VanDerWaalsContact CZ-OH 3.31Å; Y83-Y195 PolarHBondContact OH-OH 3.43Å; W191-Y195 HydrophobicContact CB-CE2 4.06Å; W191-Y195 HydrophobicContact CD2-CE1 4.48Å; W191-Y195 HydrophobicContact CE3-CD1 4.35Å; W191-Y195 AromaticContact CE3-CE1 3.41Å; W191-Y195 HydrophobicContact CE3-CE1 3.41Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.41Å; W191-Y195 HydrophobicContact CE3-CE2 4.37Å; W191-Y195 AromaticContact CE3-CZ 3.42Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.42Å; W191-Y195 AromaticContact CZ3-CE1 3.82Å; W191-Y195 HydrophobicContact CZ3-CE1 3.82Å; W191-Y195 WeakPolarHBondContact O-CD2 3.46Å; W191-Y195 VanDerWaalsContact O-CG 3.23Å; W191-Y195 PolarHBondContact O-N 3.01Å; L192-Y195 PolarHBondContact O-N 2.9Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 3.08Å; Y195-N198 PolarHBondContact O-N 2.67Å; Y195-G199 WeakPolarHBondContact O-CA 3.47Å; Y195-G199 PolarHBondContact O-N 3.07Å; Y195-L203 WeakPolarHBondContact O-CD1 3.46Å
196	L	96.3	Very high	95.4	Very high	13 Å²	13	61 Å²	61	7%	0.068	29%	0.288	C	S	.	.	H	α-helix	trans	-63	-35.7	174.9	-71.4	168.7	0	0	0	112.6	H27 V52 V127 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.64Å; H27-L196 HydrophobicContact CB-CD2 3.97Å; H27-L196 HydrophobicContact CB-CG 4.39Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.34Å; V52-L196 HydrophobicContact CG1-CD2 4.04Å; V127-L196 HydrophobicContact CG2-CD1 4.4Å; L192-L196 HydrophobicContact CD1-CD1 3.86Å; L192-L196 HydrophobicContact CD1-CD2 4.42Å; L192-L196 HydrophobicContact CD1-CG 3.88Å; L192-L196 HydrophobicContact CG-CD1 3.98Å; L192-L196 HydrophobicContact CG-CG 4.46Å; L192-L196 WeakPolarHBondContact O-CB 3.29Å; L192-L196 VanDerWaalsContact O-CG 3.26Å; L192-L196 WeakPolarHBondContact O-CG 3.47Å; L192-L196 PolarHBondContact O-N 3Å; R193-L196 PolarHBondContact O-N 2.89Å; L196-K200 WeakPolarHBondContact O-CA 3.16Å; L196-K200 WeakPolarHBondContact O-CB 3.31Å; L196-K200 PolarHBondContact O-N 3.13Å; L196-K200 VanDerWaalsContact O-N 3.12Å; L196-L203 HydrophobicContact CD2-CB 4.13Å; L196-L203 HydrophobicContact CD2-CD1 4.33Å; L196-Q204 HydrophobicContact CD2-CG 4.49Å; L196-Q204 PolarHBondContact O-NE2 3.22Å
197	E	95.9	Very high	95.3	Very high	126 Å²	126	62.4 Å²	62.4	59%	0.589	29%	0.289	S	S	*	.	H	α-helix	trans	-72.3	-47.4	174.7	-172.3	59.8	-153.1	0	0	111.2	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 2.81Å; R194-E197 PolarHBondContact O-N 3.24Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 3.08Å; E197-G199 VanDerWaalsContact C-N 3.33Å; E197-G199 PolarHBondContact O-N 3.27Å; E197-K200 WeakPolarHBondContact O-CB 3.33Å; E197-K200 PolarHBondContact O-N 3.05Å
198	N	96.4	Very high	95.3	Very high	52 Å²	52	62.7 Å²	62.7	28%	0.278	29%	0.292	S	S	.	.	H	α-helix	trans	-60.5	-41.5	178.9	-71.3	-6.4	0	0	0	112.7	Q78 E79 R194 Y195	Q78-N198 PolarHBondContact NE2-ND2 3.12Å; Q78-N198 PolarHBondContact NE2-OD1 2.85Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.11Å; E79-N198 PolarHBondContact OE1-ND2 2.89Å; R194-N198 VanDerWaalsContact O-CB 3.32Å; R194-N198 WeakPolarHBondContact O-CB 3.32Å; R194-N198 PolarHBondContact O-N 2.72Å; R194-N198 PolarHBondContact O-OD1 2.9Å; Y195-N198 PolarHBondContact O-N 2.67Å
199	G	95.3	Very high	95.3	Very high	2 Å²	2	63.1 Å²	63.1	2%	0.021	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	18.1	-176.3	0	0	0	0	0	113.8	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.47Å; Y195-G199 PolarHBondContact O-N 3.07Å; E197-G199 VanDerWaalsContact C-N 3.33Å; E197-G199 PolarHBondContact O-N 3.27Å; G199-E201 VanDerWaalsContact C-N 3.27Å; G199-E201 PolarHBondContact O-N 2.9Å; G199-E201 VanDerWaalsContact O-N 3.13Å; G199-T202 CarbonylContact O-C 3.53Å; G199-T202 PolarHBondContact O-N 3.36Å; G199-L203 PolarHBondContact O-N 3.06Å
200	K	93.4	Very high	95.2	Very high	111 Å²	111	70.3 Å²	70.3	48%	0.483	33%	0.326	S	S	.	.	H	α-helix	trans	-49	-43.8	-170.8	-177.4	171.9	-174.4	172.8	0	114.3	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.16Å; L196-K200 WeakPolarHBondContact O-CB 3.31Å; L196-K200 PolarHBondContact O-N 3.13Å; L196-K200 VanDerWaalsContact O-N 3.12Å; E197-K200 WeakPolarHBondContact O-CB 3.33Å; E197-K200 PolarHBondContact O-N 3.05Å; K200-T202 PolarHBondContact O-N 3.26Å; K200-Q204 WeakPolarHBondContact O-CB 3.49Å; K200-Q204 PolarHBondContact O-N 3.31Å
201	E	91.5	Very high	95.2	Very high	181 Å²	181	66 Å²	66	85%	0.846	31%	0.309	S	S	*	.	H	α-helix	trans	-65.2	-22.6	180	-62.8	-175	166.3	0	0	113.8	G199	G199-E201 VanDerWaalsContact C-N 3.27Å; G199-E201 PolarHBondContact O-N 2.9Å; G199-E201 VanDerWaalsContact O-N 3.13Å
202	T	91	Very high	95	Very high	45 Å²	45	66.5 Å²	66.5	28%	0.276	31%	0.314	S	S	.	.	H	α-helix	trans	-106	-44.2	-178.7	-55.7	0	0	0	0	112.2	G199 K200 R205	G199-T202 CarbonylContact O-C 3.53Å; G199-T202 PolarHBondContact O-N 3.36Å; K200-T202 PolarHBondContact O-N 3.26Å; T202-R205 VanDerWaalsContact O-CG 3.31Å; T202-R205 WeakPolarHBondContact O-CG 3.34Å
203	L	91.8	Very high	94.8	Very high	4 Å²	4	67.8 Å²	67.8	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-82.5	-31.2	-172.3	-63.2	173.4	0	0	0	112.9	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.25Å; V52-L203 HydrophobicContact CB-CD2 4.09Å; V52-L203 HydrophobicContact CG1-CD1 3.9Å; V52-L203 HydrophobicContact CG1-CD2 4.08Å; V52-L203 HydrophobicContact CG1-CG 4.5Å; T55-L203 HydrophobicContact CG2-CD2 4.02Å; W75-L203 HydrophobicContact CD2-CD1 4.42Å; W75-L203 HydrophobicContact CH2-CD1 4.26Å; W75-L203 HydrophobicContact CZ2-CD1 3.81Å; W75-L203 HydrophobicContact CZ2-CD2 4.02Å; W75-L203 HydrophobicContact CZ2-CG 4.3Å; Y195-L203 WeakPolarHBondContact O-CD1 3.46Å; L196-L203 HydrophobicContact CD2-CB 4.13Å; L196-L203 HydrophobicContact CD2-CD1 4.33Å; G199-L203 PolarHBondContact O-N 3.06Å
204	Q	90.3	Very high	94.7	Very high	86 Å²	86	63.7 Å²	63.7	40%	0.402	31%	0.308	S	S	.	.	S	Bend	trans	-102.5	16	178.7	-56.7	178.3	36.2	0	0	111.9	L196 K200	L196-Q204 HydrophobicContact CD2-CG 4.49Å; L196-Q204 PolarHBondContact O-NE2 3.22Å; K200-Q204 WeakPolarHBondContact O-CB 3.49Å; K200-Q204 PolarHBondContact O-N 3.31Å
205	R	91.6	Very high	94.5	Very high	74 Å²	74	60.5 Å²	60.5	28%	0.279	30%	0.298	S	S	.	.			trans	-82.7	150.9	172.6	86.1	-174	177.3	-155.9	-5.1	109.7	T202 D207 Y233	T202-R205 VanDerWaalsContact O-CG 3.31Å; T202-R205 WeakPolarHBondContact O-CG 3.34Å; R205-D207 WeakPolarHBondContact CD-OD2 3.22Å; R205-D207 IonicContact CZ-OD2 3.99Å; R205-D207 IonicContact NE-OD2 3.59Å; R205-D207 PolarHBondContact NE-OD2 3.45Å; R205-D207 IonicContact NH2-OD2 3.73Å; R205-Y233 HydrophobicContact CG-CD1 3.97Å; R205-Y233 HydrophobicContact CG-CE1 4.43Å; R205-Y233 VanDerWaalsContact O-CD1 3.3Å; R205-Y233 WeakPolarHBondContact O-CD1 3.27Å
206	T	92.6	Very high	94.3	Very high	61 Å²	61	64.5 Å²	64.5	37%	0.374	32%	0.317	S	S	.	.			trans	-126.5	115.9	169.7	37.5	0	0	0	0	108.5	Y233 E288	T206-Y233 WeakPolarHBondContact CA-O 3.47Å; T206-E288 HydrophobicContact CG2-CB 4.02Å; T206-E288 HydrophobicContact CG2-CG 3.96Å
207	D	95.1	Very high	94.1	Very high	51 Å²	51	68.6 Å²	68.6	27%	0.273	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-102.6	112.4	177.8	-63.2	-44.3	0	0	0	107.8	R205 F232 Y233 H287	R205-D207 WeakPolarHBondContact CD-OD2 3.22Å; R205-D207 IonicContact CZ-OD2 3.99Å; R205-D207 IonicContact NE-OD2 3.59Å; R205-D207 PolarHBondContact NE-OD2 3.45Å; R205-D207 IonicContact NH2-OD2 3.73Å; D207-F232 WeakPolarHBondContact O-CA 3.46Å; D207-F232 WeakPolarHBondContact O-CB 3.04Å; D207-Y233 PolarHBondContact N-O 3.25Å; D207-Y233 PolarHBondContact O-N 2.96Å; D207-Y233 VanDerWaalsContact O-N 3.08Å; D207-H287 PolarHBondContact O-CE1 3.24Å; D207-H287 VanDerWaalsContact O-CE1 3.3Å
208	P	96.8	Very high	93.9	Very high	64 Å²	64	67.3 Å²	67.3	42%	0.416	34%	0.34	S	S	.	.			trans	-68.2	147.1	-179.1	24.3	-32	0	0	0	111.9	K210 L290	P208-K210 PolarHBondContact O-N 2.88Å; P208-L290 HydrophobicContact CB-CD2 3.89Å; P208-L290 HydrophobicContact CB-CG 4.5Å
209	P	97.8	Very high	93.7	Very high	8 Å²	8	67.3 Å²	67.3	5%	0.052	35%	0.345	C	S	.	.			trans	-65.5	132.1	178.5	27.3	-34.9	0	0	0	111.9	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 4.12Å; P209-T211 HydrophobicContact CG-CG2 4.29Å; P209-T211 PolarHBondContact O-N 3.32Å; P209-A229 HydrophobicContact CB-CB 3.85Å; P209-F232 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CD1 3.9Å; P209-F232 HydrophobicContact CB-CG 4.15Å; P209-I237 HydrophobicContact CB-CD1 3.99Å; P209-I237 HydrophobicContact CG-CD1 4.06Å; P209-V285 HydrophobicContact CG-CG1 3.89Å; P209-H287 HydrophobicContact CG-CB 3.96Å; P209-L290 HydrophobicContact CG-CD1 3.86Å; P209-L290 HydrophobicContact CG-CD2 4.4Å; P209-L290 HydrophobicContact CG-CG 4.19Å
210	K	97.8	Very high	93.4	Very high	158 Å²	158	74.4 Å²	74.4	69%	0.687	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	107.2	164.9	-65.1	174.1	-173	168	0	108.1	P208 L230	P208-K210 PolarHBondContact O-N 2.88Å; K210-L230 PolarHBondContact N-O 2.91Å; K210-L230 PolarHBondContact O-N 2.73Å
211	T	96.8	Very high	93.3	Very high	39 Å²	39	76 Å²	76	24%	0.239	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	139.8	-174.4	59.7	0	0	0	0	112.6	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 4.12Å; P209-T211 HydrophobicContact CG-CG2 4.29Å; P209-T211 PolarHBondContact O-N 3.32Å; T211-W228 WeakPolarHBondContact CA-O 3Å; T211-A229 HydrophobicContact CG2-CB 4.46Å; T211-V285 HydrophobicContact CG2-CB 4.42Å; T211-V285 HydrophobicContact CG2-CG1 4.16Å; T211-V285 HydrophobicContact CG2-CG2 4.04Å; T211-L294 HydrophobicContact CG2-CD1 4.2Å; T211-L296 HydrophobicContact CG2-CD1 4.08Å
212	H	94.2	Very high	93.4	Very high	80 Å²	80	71.8 Å²	71.8	37%	0.37	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	163	170	67	-77.1	0	0	0	110.4	W228	H212-W228 AromaticContact CD2-CD1 3.97Å; H212-W228 WeakPolarHBondContact CE1-CB 3.34Å; H212-W228 AromaticContact CE1-CD1 3.88Å; H212-W228 AromaticContact CE1-CG 3.56Å; H212-W228 PolarHBondContact N-O 3.37Å; H212-W228 AromaticContact NE2-CD1 3.45Å; H212-W228 AromaticContact NE2-CG 3.61Å; H212-W228 PolarHBondContact O-N 3.02Å
213	M	94.9	Very high	93.6	Very high	27 Å²	27	69.7 Å²	69.7	13%	0.133	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	146.5	176.5	-74.9	-176.8	54.8	0	0	111	L225 R226 W241 L296 W298	M213-L225 HydrophobicContact CE-CB 4.37Å; M213-L225 HydrophobicContact CE-CD1 4.23Å; M213-L225 HydrophobicContact CE-CD2 4.17Å; M213-R226 CarbonylContact C-O 3.55Å; M213-R226 WeakPolarHBondContact CA-O 3.31Å; M213-W241 HydrophobicContact CE-CH2 3.51Å; M213-W241 HydrophobicContact CE-CZ2 4.44Å; M213-W241 HydrophobicContact CE-CZ3 4.27Å; M213-W241 HydrophobicContact SD-CH2 4.27Å; M213-L296 HydrophobicContact CG-CB 4.35Å; M213-L296 HydrophobicContact SD-CB 3.88Å; M213-W298 HydrophobicContact CB-CE3 3.92Å; M213-W298 HydrophobicContact CB-CZ3 4.33Å; M213-W298 HydrophobicContact CE-CB 3.59Å; M213-W298 HydrophobicContact CE-CE3 4.37Å; M213-W298 PolarHBondContact SD-N 2.86Å
214	T	94	Very high	93.8	Very high	31 Å²	31	70.5 Å²	70.5	19%	0.19	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	141.9	172.9	56.8	0	0	0	0	109.2	H216 R226 W228	T214-H216 PolarHBondContact OG1-CE1 3.1Å; T214-R226 PolarHBondContact N-O 3.12Å; T214-R226 PolarHBondContact O-N 2.92Å; T214-R226 WeakPolarHBondContact OG1-CB 3.33Å; T214-R226 PolarHBondContact OG1-O 2.99Å; T214-W228 PolarHBondContact OG1-NE1 2.91Å
215	H	93.6	Very high	94.1	Very high	57 Å²	57	66.4 Å²	66.4	26%	0.264	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	123.9	-178.9	170.1	-95.7	0	0	0	109	A223 T224 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.32Å; H215-T224 WeakPolarHBondContact CA-O 3.19Å; H215-L225 HydrophobicContact CB-CD2 4.04Å; H215-E278 IonicContact NE2-OE1 3.52Å; H215-W298 HydrophobicContact CB-CD2 3.96Å; H215-W298 HydrophobicContact CB-CE3 4.05Å; H215-W298 HydrophobicContact CB-CH2 3.45Å; H215-W298 VanDerWaalsContact CB-CH2 3.45Å; H215-W298 HydrophobicContact CB-CZ2 3.31Å; H215-W298 HydrophobicContact CB-CZ3 3.81Å; H215-W298 AromaticContact CG-CE2 3.99Å; H215-W298 AromaticContact CG-CZ2 3.94Å
216	H	93.1	Very high	94.4	Very high	85 Å²	85	65.3 Å²	65.3	39%	0.394	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	105.1	-178.8	-61.2	82.4	0	0	0	109	T214 I218 A223 T224 R226	T214-H216 PolarHBondContact OG1-CE1 3.1Å; H216-I218 PolarHBondContact O-N 2.81Å; H216-A223 CarbonylContact O-C 3.57Å; H216-A223 WeakPolarHBondContact O-CA 3.28Å; H216-T224 PolarHBondContact N-O 2.9Å; H216-T224 PolarHBondContact O-N 3.22Å; H216-R226 PolarHBondContact CE1-NH1 2.85Å
217	P	92.8	Very high	94.6	Very high	99 Å²	99	62.4 Å²	62.4	64%	0.643	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.1	130.5	172.3	-20.6	31.1	0	0	0	110.6
218	I	91.4	Very high	94.8	Very high	98 Å²	98	62.2 Å²	62.2	50%	0.503	32%	0.318	S	S	.	.			trans	-98.4	-44.5	173.9	-60.7	161.6	0	0	0	109.4	H216 E222 T224 V272	H216-I218 PolarHBondContact O-N 2.81Å; I218-E222 PolarHBondContact N-O 2.8Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.16Å; I218-V272 HydrophobicContact CD1-CG1 4.05Å; I218-V272 HydrophobicContact CD1-CG2 4.11Å
219	S	91.4	Very high	94.9	Very high	53 Å²	53	59.2 Å²	59.2	37%	0.371	30%	0.298	S	S	.	.	S	Bend	trans	-147.9	-178.4	179	72.2	0	0	0	0	110.5	H221 E222	S219-H221 PolarHBondContact O-N 2.86Å; S219-H221 VanDerWaalsContact O-N 3.16Å; S219-H221 PolarHBondContact OG-N 2.82Å; S219-E222 PolarHBondContact N-O 2.81Å; S219-E222 VanDerWaalsContact N-O 3.08Å; S219-E222 VanDerWaalsContact O-O 3.12Å; S219-E222 PolarHBondContact OG-N 3.47Å
220	D	88.8	Confident	94.9	Very high	150 Å²	150	61.5 Å²	61.5	80%	0.802	31%	0.31	S	S	*	.	S	Bend	trans	-65.4	-10.7	172.9	-65.1	-22.1	0	0	0	113.4
221	H	91.9	Very high	94.9	Very high	146 Å²	146	55 Å²	55	68%	0.676	29%	0.288	S	S	*	.	S	Bend	trans	-115.8	-15.5	-175.6	-57.7	-44.9	0	0	0	113.6	S219 P274 S275	S219-H221 PolarHBondContact O-N 2.86Å; S219-H221 VanDerWaalsContact O-N 3.16Å; S219-H221 PolarHBondContact OG-N 2.82Å; H221-P274 CarbonylContact O-C 3.51Å; H221-P274 WeakPolarHBondContact O-CA 3.42Å; H221-S275 PolarHBondContact O-N 3.37Å
222	E	94.6	Very high	94.9	Very high	92 Å²	92	53.2 Å²	53.2	43%	0.43	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	145.1	-171.1	-67.1	-179.2	166.8	0	0	112.3	I218 S219 V272 V273 S275	I218-E222 PolarHBondContact N-O 2.8Å; S219-E222 PolarHBondContact N-O 2.81Å; S219-E222 VanDerWaalsContact N-O 3.08Å; S219-E222 VanDerWaalsContact O-O 3.12Å; S219-E222 PolarHBondContact OG-N 3.47Å; E222-V272 HydrophobicContact CB-CG1 4.12Å; E222-V272 HydrophobicContact CG-CG1 4.31Å; E222-V273 WeakPolarHBondContact CA-O 3.42Å; E222-S275 PolarHBondContact N-OG 2.88Å
223	A	94.6	Very high	94.9	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.008	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	154.1	171.3	0	0	0	0	0	111	H215 H216 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.32Å; H216-A223 CarbonylContact O-C 3.57Å; H216-A223 WeakPolarHBondContact O-CA 3.28Å; A223-V273 PolarHBondContact N-O 3.27Å; A223-V273 WeakPolarHBondContact O-CG2 3.32Å; A223-V273 PolarHBondContact O-N 3.05Å
224	T	96.5	Very high	94.9	Very high	21 Å²	21	49.2 Å²	49.2	13%	0.129	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	122.4	168.8	-53.2	0	0	0	0	109.6	H215 H216 I218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.19Å; H216-T224 PolarHBondContact N-O 2.9Å; H216-T224 PolarHBondContact O-N 3.22Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.16Å; T224-A270 HydrophobicContact CG2-CB 3.86Å; T224-V271 WeakPolarHBondContact CA-O 3.23Å
225	L	96.8	Very high	94.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	125.9	163	-67.3	-179.9	0	0	0	108.8	M213 H215 W241 A270 V271 V273 E278 W298	M213-L225 HydrophobicContact CE-CB 4.37Å; M213-L225 HydrophobicContact CE-CD1 4.23Å; M213-L225 HydrophobicContact CE-CD2 4.17Å; H215-L225 HydrophobicContact CB-CD2 4.04Å; L225-W241 HydrophobicContact CB-CH2 3.66Å; L225-W241 HydrophobicContact CB-CZ2 3.92Å; L225-W241 HydrophobicContact CB-CZ3 4.49Å; L225-W241 HydrophobicContact CD1-CH2 4.16Å; L225-W241 HydrophobicContact CD1-CZ3 4.35Å; L225-A270 CarbonylContact O-C 3.53Å; L225-A270 WeakPolarHBondContact O-CA 3.38Å; L225-V271 HydrophobicContact CB-CG1 4.3Å; L225-V271 PolarHBondContact N-O 3.18Å; L225-V271 PolarHBondContact O-N 3.28Å; L225-V273 HydrophobicContact CD1-CG1 3.97Å; L225-V273 HydrophobicContact CD1-CG2 3.97Å; L225-V273 HydrophobicContact CG-CG1 4.25Å; L225-V273 HydrophobicContact CG-CG2 3.87Å; L225-E278 HydrophobicContact CD1-CB 4.06Å; L225-E278 HydrophobicContact CD1-CG 4.4Å; L225-E278 HydrophobicContact CD2-CG 4.41Å; L225-W298 HydrophobicContact CD1-CB 4.42Å; L225-W298 HydrophobicContact CD2-CB 4.02Å; L225-W298 HydrophobicContact CD2-CD2 4.17Å; L225-W298 HydrophobicContact CD2-CG 3.94Å
226	R	97.4	Very high	95	Very high	51 Å²	51	51.7 Å²	51.7	19%	0.192	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	122.6	175.6	-179.6	-176.5	-60.9	117.6	1.7	110.3	M213 T214 H216 W228 W268 A269 A270	M213-R226 CarbonylContact C-O 3.55Å; M213-R226 WeakPolarHBondContact CA-O 3.31Å; T214-R226 PolarHBondContact N-O 3.12Å; T214-R226 PolarHBondContact O-N 2.92Å; T214-R226 WeakPolarHBondContact OG1-CB 3.33Å; T214-R226 PolarHBondContact OG1-O 2.99Å; H216-R226 PolarHBondContact CE1-NH1 2.85Å; R226-W228 VanDerWaalsContact CD-CZ2 3.4Å; R226-W228 VanDerWaalsContact CD-NE1 3.35Å; R226-W228 HydrophobicContact CG-CZ2 4.48Å; R226-W268 HydrophobicContact CG-CB 4.03Å; R226-W268 HydrophobicContact CG-CD2 4.13Å; R226-W268 HydrophobicContact CG-CE3 3.86Å; R226-W268 HydrophobicContact CG-CG 4.25Å; R226-A269 WeakPolarHBondContact CA-O 3.19Å; R226-A270 HydrophobicContact CB-CB 3.97Å; R226-A270 HydrophobicContact CG-CB 4.12Å
227	C	97.5	Very high	95.1	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	122	176.1	-175.7	0	0	0	0	109.2	W241 W268 A269 C283	C227-W241 HydrophobicContact CB-CZ2 3.7Å; C227-W268 CarbonylContact O-C 3.54Å; C227-W268 WeakPolarHBondContact O-CA 3.19Å; C227-W268 VanDerWaalsContact O-CB 3.22Å; C227-W268 WeakPolarHBondContact O-CB 3.24Å; C227-A269 PolarHBondContact N-O 3.36Å; C227-A269 PolarHBondContact O-N 3.39Å; C227-C283 HydrophobicContact CB-CB 3.52Å; C227-C283 WeakPolarHBondContact CB-SG 3.39Å; C227-C283 WeakPolarHBondContact SG-CB 3.32Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.3Å
228	W	98.1	Very high	95.3	Very high	47 Å²	47	45.5 Å²	45.5	18%	0.178	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	141.5	-179.7	-70	90	0	0	0	110.6	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3Å; H212-W228 AromaticContact CD2-CD1 3.97Å; H212-W228 WeakPolarHBondContact CE1-CB 3.34Å; H212-W228 AromaticContact CE1-CD1 3.88Å; H212-W228 AromaticContact CE1-CG 3.56Å; H212-W228 PolarHBondContact N-O 3.37Å; H212-W228 AromaticContact NE2-CD1 3.45Å; H212-W228 AromaticContact NE2-CG 3.61Å; H212-W228 PolarHBondContact O-N 3.02Å; T214-W228 PolarHBondContact OG1-NE1 2.91Å; R226-W228 VanDerWaalsContact CD-CZ2 3.4Å; R226-W228 VanDerWaalsContact CD-NE1 3.35Å; R226-W228 HydrophobicContact CG-CZ2 4.48Å; W228-L230 HydrophobicContact CE3-CD2 3.94Å; W228-L230 HydrophobicContact CZ3-CD2 4.49Å; W228-W268 HydrophobicContact CD2-CB 3.9Å; W228-W268 HydrophobicContact CD2-CG 4.39Å; W228-W268 HydrophobicContact CE3-CB 3.82Å; W228-W268 AromaticContact CE3-CD1 3.81Å; W228-W268 HydrophobicContact CE3-CG 4.12Å; W228-W268 HydrophobicContact CG-CB 4.33Å; W228-W268 AromaticContact CH2-CD1 3.58Å; W228-W268 HydrophobicContact CH2-CG 4.2Å; W228-W268 AromaticContact CH2-NE1 3.98Å; W228-W268 HydrophobicContact CZ2-CG 4.47Å; W228-W268 HydrophobicContact CZ3-CB 4.25Å; W228-W268 AromaticContact CZ3-CD1 3.34Å; W228-W268 HydrophobicContact CZ3-CG 4.03Å
229	A	98.3	Very high	95.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	123.4	163.6	0	0	0	0	0	107.9	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.85Å; T211-A229 HydrophobicContact CG2-CB 4.46Å; A229-F232 HydrophobicContact CB-CD1 4.09Å; A229-F232 HydrophobicContact CB-CE1 3.85Å; A229-F232 WeakPolarHBondContact O-CE1 3.27Å; A229-I237 HydrophobicContact CB-CD1 3.67Å; A229-L239 HydrophobicContact CB-CD1 4.04Å; A229-L239 HydrophobicContact CB-CD2 4.25Å; A229-Q266 VanDerWaalsContact O-CA 3.31Å; A229-Q266 WeakPolarHBondContact O-CA 3.42Å; A229-K267 PolarHBondContact N-O 2.98Å; A229-K267 PolarHBondContact O-N 3.2Å; A229-K267 VanDerWaalsContact O-O 3.08Å
230	L	98.1	Very high	95.8	Very high	56 Å²	56	40.5 Å²	40.5	29%	0.293	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	148.7	-175.4	-59.2	179.4	0	0	0	111.3	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 2.91Å; K210-L230 PolarHBondContact O-N 2.73Å; W228-L230 HydrophobicContact CE3-CD2 3.94Å; W228-L230 HydrophobicContact CZ3-CD2 4.49Å; L230-F232 PolarHBondContact O-N 2.87Å; L230-Q266 HydrophobicContact CD2-CB 3.53Å
231	G	97.3	Very high	96.2	Very high	23 Å²	23	33.5 Å²	33.5	24%	0.237	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69.3	31.5	167.3	0	0	0	0	0	114	F265	G231-F265 PolarHBondContact N-O 3.37Å
232	F	97.2	Very high	96.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	155.5	-179.9	58.7	-89.8	0	0	0	112.6	D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	D207-F232 WeakPolarHBondContact O-CA 3.46Å; D207-F232 WeakPolarHBondContact O-CB 3.04Å; P209-F232 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CD1 3.9Å; P209-F232 HydrophobicContact CB-CG 4.15Å; A229-F232 HydrophobicContact CB-CD1 4.09Å; A229-F232 HydrophobicContact CB-CE1 3.85Å; A229-F232 WeakPolarHBondContact O-CE1 3.27Å; L230-F232 PolarHBondContact O-N 2.87Å; F232-P234 WeakPolarHBondContact CD2-O 3.34Å; F232-I237 HydrophobicContact CD1-CD1 3.88Å; F232-I237 HydrophobicContact CD2-CB 4.26Å; F232-I237 HydrophobicContact CD2-CD1 4.01Å; F232-I237 HydrophobicContact CE1-CD1 3.77Å; F232-I237 HydrophobicContact CE1-CG2 4.42Å; F232-I237 HydrophobicContact CE2-CB 3.72Å; F232-I237 HydrophobicContact CE2-CD1 3.93Å; F232-I237 HydrophobicContact CE2-CG1 4.41Å; F232-I237 HydrophobicContact CE2-CG2 3.58Å; F232-I237 HydrophobicContact CG-CD1 4Å; F232-I237 HydrophobicContact CZ-CB 4.09Å; F232-I237 HydrophobicContact CZ-CD1 3.83Å; F232-I237 HydrophobicContact CZ-CG2 3.52Å; F232-T257 HydrophobicContact CE2-CG2 4.09Å; F232-T257 HydrophobicContact CZ-CG2 3.95Å; F232-T264 WeakPolarHBondContact O-CA 2.95Å; F232-F265 WeakPolarHBondContact CD1-O 3.32Å; F232-F265 HydrophobicContact CD2-CB 3.92Å; F232-F265 HydrophobicContact CE1-CB 4.3Å; F232-F265 WeakPolarHBondContact CE1-O 3.48Å; F232-F265 HydrophobicContact CE2-CB 3.46Å; F232-F265 VanDerWaalsContact CE2-CB 3.46Å; F232-F265 HydrophobicContact CE2-CG 4.47Å; F232-F265 HydrophobicContact CG-CB 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 3.32Å; F232-F265 PolarHBondContact O-N 2.82Å; F232-K267 HydrophobicContact CE1-CB 4.38Å; F232-K267 HydrophobicContact CZ-CB 4.11Å; F232-H287 AromaticContact CD2-CD2 3.84Å; F232-H287 AromaticContact CD2-NE2 3.69Å
233	Y	95.1	Very high	96.5	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.016	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-151.1	135.3	173.1	-179.9	-84.8	0	0	0	109	D54 T55 R205 T206 D207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.19Å; T55-Y233 PolarHBondContact OG1-OH 3.2Å; T55-Y233 VanDerWaalsContact OG1-OH 3.09Å; R205-Y233 HydrophobicContact CG-CD1 3.97Å; R205-Y233 HydrophobicContact CG-CE1 4.43Å; R205-Y233 VanDerWaalsContact O-CD1 3.3Å; R205-Y233 WeakPolarHBondContact O-CD1 3.27Å; T206-Y233 WeakPolarHBondContact CA-O 3.47Å; D207-Y233 PolarHBondContact N-O 3.25Å; D207-Y233 PolarHBondContact O-N 2.96Å; D207-Y233 VanDerWaalsContact O-N 3.08Å; Y233-G263 WeakPolarHBondContact CD2-O 3.27Å; Y233-F265 HydrophobicContact CD2-CD2 4.4Å; Y233-F265 AromaticContact CD2-CE2 3.93Å; Y233-F265 HydrophobicContact CD2-CE2 3.93Å; Y233-F265 HydrophobicContact CE2-CE2 4.37Å; Y233-H287 PolarHBondContact O-CE1 3.12Å; Y233-H287 VanDerWaalsContact O-CE1 3.22Å
234	P	94.1	Very high	96.4	Very high	20 Å²	20	32.2 Å²	32.2	13%	0.13	17%	0.166	C	C	.	.	S	Bend	cis	-73.6	179.4	4.1	31.2	-37.2	0	0	0	113.6	D54 F232 E236 H287	D54-P234 WeakPolarHBondContact OD2-CB 3.48Å; F232-P234 WeakPolarHBondContact CD2-O 3.34Å; P234-E236 VanDerWaalsContact C-N 3.3Å; P234-E236 PolarHBondContact O-N 3.18Å; P234-H287 PolarHBondContact O-NE2 3Å
235	A	95.4	Very high	96.1	Very high	14 Å²	14	33.6 Å²	33.6	12%	0.116	18%	0.184	C	C	.	.	S	Bend	trans	-69.6	-25.1	-175.5	0	0	0	0	0	113.8	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.31Å; D54-A235 VanDerWaalsContact OD2-CB 3.29Å; D54-A235 WeakPolarHBondContact OD2-CB 3.49Å; D54-A235 PolarHBondContact OD2-N 3.47Å; A235-I237 PolarHBondContact O-N 3.06Å; A235-T257 HydrophobicContact CB-CG2 4.28Å; A235-T257 WeakPolarHBondContact O-CG2 3.45Å; A235-F265 HydrophobicContact CB-CD1 3.72Å; A235-F265 HydrophobicContact CB-CD2 3.69Å; A235-F265 HydrophobicContact CB-CE1 3.69Å; A235-F265 HydrophobicContact CB-CE2 3.67Å; A235-F265 HydrophobicContact CB-CG 3.74Å; A235-F265 HydrophobicContact CB-CZ 3.7Å
236	E	95	Very high	96	Very high	125 Å²	125	40.6 Å²	40.6	58%	0.584	22%	0.217	S	C	*	.			trans	-64.2	116.8	179.2	-170.8	58.8	-145.4	0	0	110.2	W23 P234 H287	W23-E236 HydrophobicContact CH2-CG 4.3Å; W23-E236 WeakPolarHBondContact CZ3-O 3.49Å; P234-E236 VanDerWaalsContact C-N 3.3Å; P234-E236 PolarHBondContact O-N 3.18Å; E236-H287 PolarHBondContact O-CD2 2.84Å
237	I	95.7	Very high	95.8	Very high	8 Å²	8	42.9 Å²	42.9	4%	0.041	23%	0.233	C	C	.	.			trans	-151.7	141	-179.2	-162.8	172.9	0	0	0	109.1	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 3.99Å; P209-I237 HydrophobicContact CG-CD1 4.06Å; A229-I237 HydrophobicContact CB-CD1 3.67Å; F232-I237 HydrophobicContact CD1-CD1 3.88Å; F232-I237 HydrophobicContact CD2-CB 4.26Å; F232-I237 HydrophobicContact CD2-CD1 4.01Å; F232-I237 HydrophobicContact CE1-CD1 3.77Å; F232-I237 HydrophobicContact CE1-CG2 4.42Å; F232-I237 HydrophobicContact CE2-CB 3.72Å; F232-I237 HydrophobicContact CE2-CD1 3.93Å; F232-I237 HydrophobicContact CE2-CG1 4.41Å; F232-I237 HydrophobicContact CE2-CG2 3.58Å; F232-I237 HydrophobicContact CG-CD1 4Å; F232-I237 HydrophobicContact CZ-CB 4.09Å; F232-I237 HydrophobicContact CZ-CD1 3.83Å; F232-I237 HydrophobicContact CZ-CG2 3.52Å; A235-I237 PolarHBondContact O-N 3.06Å; I237-L239 HydrophobicContact CD1-CD1 3.65Å; I237-L239 HydrophobicContact CG1-CD1 3.7Å; I237-L239 HydrophobicContact CG2-CD1 4.13Å; I237-K267 HydrophobicContact CG2-CB 4.19Å; I237-K267 HydrophobicContact CG2-CD 3.55Å; I237-V285 HydrophobicContact CD1-CG1 4.03Å; I237-V285 HydrophobicContact CG1-CG1 4.38Å; I237-Q286 VanDerWaalsContact CG1-O 3.29Å; I237-Q286 WeakPolarHBondContact CG1-O 3.21Å; I237-H287 HydrophobicContact CD1-CB 4.34Å; I237-H287 HydrophobicContact CG1-CB 4.09Å
238	T	96.6	Very high	95.7	Very high	47 Å²	47	44 Å²	44	29%	0.288	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	123.2	174.1	-61.2	0	0	0	0	110.2	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.01Å; T238-V285 WeakPolarHBondContact O-CA 3.23Å; T238-Q286 PolarHBondContact N-O 3.06Å; T238-Q286 PolarHBondContact O-N 2.04Å
239	L	96.9	Very high	95.2	Very high	6 Å²	6	46.9 Å²	46.9	3%	0.031	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	121.2	173.1	-89.6	66.8	0	0	0	108.6	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.04Å; A229-L239 HydrophobicContact CB-CD2 4.25Å; I237-L239 HydrophobicContact CD1-CD1 3.65Å; I237-L239 HydrophobicContact CG1-CD1 3.7Å; I237-L239 HydrophobicContact CG2-CD1 4.13Å; L239-L254 HydrophobicContact CB-CD1 4.13Å; L239-K267 HydrophobicContact CD1-CD 4.32Å; L239-A269 HydrophobicContact CB-CB 4.06Å; L239-A269 HydrophobicContact CD2-CB 4.24Å; L239-H284 WeakPolarHBondContact CA-O 3.46Å; L239-V285 HydrophobicContact CD1-CG1 4.13Å; L239-V285 HydrophobicContact CD1-CG2 4.46Å; L239-V285 HydrophobicContact CG-CG2 4.25Å
240	T	96.2	Very high	94.7	Very high	39 Å²	39	56 Å²	56	24%	0.239	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	147.5	176.5	56.6	0	0	0	0	111.7	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.01Å; T240-C283 CarbonylContact O-C 3.52Å; T240-C283 WeakPolarHBondContact O-CA 3.39Å; T240-H284 PolarHBondContact N-O 2.7Å; T240-H284 PolarHBondContact O-N 2.72Å
241	W	96.9	Very high	94.1	Very high	3 Å²	3	58.6 Å²	58.6	1%	0.011	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	136.6	170.9	-83.2	104.5	0	0	0	110.3	M213 L225 C227 Q248 A269 V271 T282 C283	M213-W241 HydrophobicContact CE-CH2 3.51Å; M213-W241 HydrophobicContact CE-CZ2 4.44Å; M213-W241 HydrophobicContact CE-CZ3 4.27Å; M213-W241 HydrophobicContact SD-CH2 4.27Å; L225-W241 HydrophobicContact CB-CH2 3.66Å; L225-W241 HydrophobicContact CB-CZ2 3.92Å; L225-W241 HydrophobicContact CB-CZ3 4.49Å; L225-W241 HydrophobicContact CD1-CH2 4.16Å; L225-W241 HydrophobicContact CD1-CZ3 4.35Å; C227-W241 HydrophobicContact CB-CZ2 3.7Å; W241-Q248 HydrophobicContact CB-CB 4.17Å; W241-Q248 PolarHBondContact O-N 3.39Å; W241-A269 VanDerWaalsContact NE1-C 3.33Å; W241-A269 PolarHBondContact NE1-O 3.27Å; W241-V271 HydrophobicContact CD2-CB 4.38Å; W241-V271 HydrophobicContact CD2-CG1 3.59Å; W241-V271 HydrophobicContact CE3-CG1 3.89Å; W241-V271 HydrophobicContact CG-CB 4.19Å; W241-V271 HydrophobicContact CG-CG1 3.91Å; W241-V271 HydrophobicContact CH2-CG1 4.38Å; W241-V271 HydrophobicContact CZ2-CG1 4.14Å; W241-V271 HydrophobicContact CZ3-CG1 4.28Å; W241-T282 WeakPolarHBondContact CA-O 3.19Å; W241-T282 VanDerWaalsContact CE3-C 3.47Å; W241-T282 VanDerWaalsContact CE3-O 3.29Å; W241-C283 HydrophobicContact CD2-CB 4.22Å; W241-C283 HydrophobicContact CE3-CB 4.15Å; W241-C283 HydrophobicContact CH2-CB 4.04Å; W241-C283 HydrophobicContact CZ2-CB 4.09Å; W241-C283 HydrophobicContact CZ3-CB 4.05Å
242	Q	96.6	Very high	94	Very high	43 Å²	43	58.6 Å²	58.6	20%	0.201	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	145.3	172	-69.1	-174.6	-6.3	0	0	110.5	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.58Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.31Å; Q242-D247 VanDerWaalsContact CG-OD1 3.23Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.35Å; Q242-D247 PolarHBondContact NE2-OD1 2.89Å; Q242-Y281 CarbonylContact O-C 3.55Å; Q242-Y281 VanDerWaalsContact O-CA 3.27Å; Q242-Y281 WeakPolarHBondContact O-CA 3.36Å; Q242-T282 PolarHBondContact N-O 2.9Å; Q242-T282 PolarHBondContact O-N 2.99Å; Q242-H284 PolarHBondContact OE1-NE2 3.08Å
243	R	96.2	Very high	93.9	Very high	70 Å²	70	64 Å²	64	26%	0.264	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	116.7	168.7	-176.3	-173.1	-176.5	179.2	0.4	108.1	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 3.17Å; R243-E246 PolarHBondContact N-O 3.2Å; R243-E246 PolarHBondContact O-N 3.12Å; R243-Q248 HydrophobicContact CB-CG 3.96Å; R243-E277 IonicContact CZ-OE2 3.81Å; R243-E277 IonicContact NE-OE2 2.74Å; R243-E277 IonicContact NH2-OE1 3.89Å; R243-E277 IonicContact NH2-OE2 3.71Å; R243-E277 PolarHBondContact NH2-OE2 3.25Å; R243-R280 WeakPolarHBondContact CA-O 3.04Å; R243-R280 HydrophobicContact CG-CB 4.37Å; R243-Y281 HydrophobicContact CB-CD1 4.12Å; R243-Y281 HydrophobicContact CB-CE1 3.94Å; R243-Y281 HydrophobicContact CG-CD1 4.47Å; R243-Y281 HydrophobicContact CG-CD2 4.49Å; R243-Y281 HydrophobicContact CG-CE1 4.11Å; R243-Y281 HydrophobicContact CG-CE2 4.11Å
244	D	93.4	Very high	94	Very high	100 Å²	100	68.1 Å²	68.1	54%	0.535	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	29.7	-174.7	-54	-50.5	0	0	0	114.4	R280	D244-R280 PolarHBondContact N-O 3.36Å; D244-R280 IonicContact OD1-NE 3.79Å; D244-R280 PolarHBondContact OD1-NE 2.94Å; D244-R280 IonicContact OD2-CZ 3.55Å; D244-R280 IonicContact OD2-NE 2.7Å; D244-R280 PolarHBondContact OD2-NE 3.46Å; D244-R280 IonicContact OD2-NH2 3.51Å; D244-R280 PolarHBondContact OD2-NH2 3.23Å
245	G	89.3	Confident	94.1	Very high	50 Å²	50	68.8 Å²	68.8	52%	0.515	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.3	0	-178	0	0	0	0	0	115.6	R243	R243-G245 PolarHBondContact O-N 3.17Å
246	E	94.3	Very high	94.1	Very high	146 Å²	146	76.3 Å²	76.3	68%	0.682	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	127.7	175.2	-63.9	-173.9	171.3	0	0	111.7	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.58Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.31Å; R243-E246 PolarHBondContact N-O 3.2Å; R243-E246 PolarHBondContact O-N 3.12Å; E246-Q248 PolarHBondContact O-NE2 2.79Å
247	D	94.1	Very high	94.2	Very high	99 Å²	99	72.5 Å²	72.5	53%	0.529	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	134.6	-179.1	-68.9	-25.3	0	0	0	112.4	Q242	Q242-D247 VanDerWaalsContact CG-OD1 3.23Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.35Å; Q242-D247 PolarHBondContact NE2-OD1 2.89Å
248	Q	93.8	Very high	94.2	Very high	24 Å²	24	76.8 Å²	76.8	11%	0.112	40%	0.398	C	S	.	.			trans	-105.7	35.3	-176.9	-57.8	-60.8	-69.3	0	0	112.4	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.17Å; W241-Q248 PolarHBondContact O-N 3.39Å; R243-Q248 HydrophobicContact CB-CG 3.96Å; E246-Q248 PolarHBondContact O-NE2 2.79Å; Q248-Q250 VanDerWaalsContact C-N 3.3Å; Q248-Q250 PolarHBondContact O-N 2.86Å; Q248-D251 PolarHBondContact O-N 3.13Å; Q248-D251 VanDerWaalsContact O-N 3.16Å; Q248-T252 WeakPolarHBondContact O-CB 3.44Å; Q248-T252 PolarHBondContact O-N 3.39Å; Q248-T252 VanDerWaalsContact O-N 3.08Å; Q248-T252 PolarHBondContact O-OG1 3.11Å; Q248-Y281 HydrophobicContact CG-CE1 4.41Å
249	T	87.8	Confident	94.2	Very high	107 Å²	107	78.9 Å²	78.9	66%	0.656	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-36.6	-168.8	-48	0	0	0	0	114.1
250	Q	87.9	Confident	94.2	Very high	191 Å²	191	81 Å²	81	89%	0.893	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-31.1	-178.7	-66.7	-173.6	6.6	0	0	113.2	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.3Å; Q248-Q250 PolarHBondContact O-N 2.86Å; Q250-T252 VanDerWaalsContact C-N 3.34Å
251	D	86.8	Confident	94	Very high	112 Å²	112	82.9 Å²	82.9	60%	0.599	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	1.2	-178	-57	-52.5	0	0	0	112.3	Q248	Q248-D251 PolarHBondContact O-N 3.13Å; Q248-D251 VanDerWaalsContact O-N 3.16Å
252	T	94.1	Very high	93.8	Very high	22 Å²	22	88 Å²	88	14%	0.135	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	120.9	180	-63.7	0	0	0	0	110.7	Q248 Q250 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.44Å; Q248-T252 PolarHBondContact O-N 3.39Å; Q248-T252 VanDerWaalsContact O-N 3.08Å; Q248-T252 PolarHBondContact O-OG1 3.11Å; Q250-T252 VanDerWaalsContact C-N 3.34Å; T252-L254 HydrophobicContact CG2-CB 4.36Å; T252-L254 PolarHBondContact O-N 2.77Å; T252-A269 HydrophobicContact CG2-CB 3.98Å; T252-A270 CarbonylContact C-O 3.59Å; T252-A270 WeakPolarHBondContact CA-O 3.26Å
253	E	96.1	Very high	93.5	Very high	115 Å²	115	87.9 Å²	87.9	54%	0.537	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	105.9	163.1	-173.5	-174.4	-171.2	0	0	108.9	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.24Å; E253-W268 HydrophobicContact CG-CH2 3.89Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.25Å; E253-A269 CarbonylContact O-C 3.6Å; E253-A269 WeakPolarHBondContact O-CA 3.43Å; E253-A270 HydrophobicContact CB-CB 4.4Å; E253-A270 PolarHBondContact N-O 3.25Å; E253-A270 PolarHBondContact O-N 3.02Å
254	L	96.1	Very high	93.5	Very high	90 Å²	90	85.2 Å²	85.2	47%	0.471	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	120.1	178.1	-174.5	68.1	0	0	0	109.9	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.13Å; T252-L254 HydrophobicContact CG2-CB 4.36Å; T252-L254 PolarHBondContact O-N 2.77Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; L254-A269 HydrophobicContact CD1-CB 3.65Å
255	V	96.3	Very high	93.8	Very high	33 Å²	33	81.7 Å²	81.7	20%	0.2	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-84.4	153.7	174.7	-64.5	0	0	0	0	112.2	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.43Å; V255-K267 VanDerWaalsContact O-CE 3.3Å; V255-K267 WeakPolarHBondContact O-CE 3.35Å; V255-K267 WeakPolarHBondContact O-CG 3.4Å; V255-K267 PolarHBondContact O-NZ 2.84Å; V255-W268 HydrophobicContact CB-CZ2 4.4Å; V255-W268 HydrophobicContact CG1-CD2 3.97Å; V255-W268 HydrophobicContact CG1-CE3 4.3Å; V255-W268 HydrophobicContact CG1-CH2 3.58Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.11Å; V255-W268 HydrophobicContact CG2-CD2 3.76Å; V255-W268 HydrophobicContact CG2-CE3 4.49Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.4Å; V255-W268 WeakPolarHBondContact CG2-O 3.38Å; V255-W268 PolarHBondContact N-O 2.85Å
256	E	95.9	Very high	94.2	Very high	172 Å²	172	81.4 Å²	81.4	80%	0.804	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-57.8	148.5	167.7	-67.7	-176.3	174.9	0	0	111.3	R258	E256-R258 PolarHBondContact O-N 3.47Å
257	T	97.1	Very high	94.4	Very high	46 Å²	46	75.4 Å²	75.4	28%	0.282	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-68	130.7	173.8	-56.6	0	0	0	0	108.4	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.09Å; F232-T257 HydrophobicContact CZ-CG2 3.95Å; A235-T257 HydrophobicContact CB-CG2 4.28Å; A235-T257 WeakPolarHBondContact O-CG2 3.45Å; T257-F265 HydrophobicContact CG2-CB 3.79Å; T257-F265 HydrophobicContact CG2-CD1 3.92Å; T257-F265 HydrophobicContact CG2-CG 4.13Å; T257-K267 WeakPolarHBondContact OG1-CD 3.35Å; T257-K267 PolarHBondContact OG1-NZ 3.35Å
258	R	96.8	Very high	94.6	Very high	97 Å²	97	71.9 Å²	71.9	37%	0.366	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	145.2	-174.8	68	-169.4	-177.6	-169.2	2.1	111.6	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.47Å; R258-F265 WeakPolarHBondContact O-CA 3.45Å; R258-Q266 HydrophobicContact CG-CG 3.56Å; R258-Q266 PolarHBondContact N-O 2.97Å; R258-Q266 WeakPolarHBondContact O-CG 3.38Å; R258-Q266 PolarHBondContact O-N 3.06Å
259	P	96.7	Very high	94.7	Very high	92 Å²	92	70.7 Å²	70.7	60%	0.597	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	144.5	178.5	28.4	-34.4	0	0	0	111.3	F265	P259-F265 HydrophobicContact CB-CE1 4.28Å
260	A	96.1	Very high	95.2	Very high	51 Å²	51	65.8 Å²	65.8	42%	0.421	37%	0.367	S	S	.	.			trans	-88	-17.7	173.2	0	0	0	0	0	113	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.37Å; A260-T264 WeakPolarHBondContact CB-O 3.05Å; A260-T264 PolarHBondContact N-O 3.24Å
261	G	92.6	Very high	95.6	Very high	77 Å²	77	56.8 Å²	56.8	79%	0.794	33%	0.325	S	S	*	.	S	Bend	trans	96.6	-6	179.1	0	0	0	0	0	115
262	D	92.4	Very high	96.1	Very high	112 Å²	112	54.9 Å²	54.9	60%	0.599	32%	0.318	S	S	*	.	S	Bend	trans	-106.5	12.8	176.3	61.1	-0.2	0	0	0	113	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.37Å; D262-T264 WeakPolarHBondContact OD1-CB 3.08Å; D262-T264 PolarHBondContact OD1-N 2.77Å; D262-T264 PolarHBondContact OD1-OG1 3.26Å
263	G	90.7	Very high	96.2	Very high	39 Å²	39	53.8 Å²	53.8	40%	0.402	31%	0.311	S	S	.	.	S	Bend	trans	86.2	4.6	-173.7	0	0	0	0	0	114.4	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.27Å
264	T	96.4	Very high	96.2	Very high	15 Å²	15	50.5 Å²	50.5	9%	0.092	30%	0.3	C	S	.	.			trans	-108.8	172.3	172.4	73.8	0	0	0	0	112.3	F232 A260 D262	F232-T264 WeakPolarHBondContact O-CA 2.95Å; A260-T264 WeakPolarHBondContact CB-O 3.05Å; A260-T264 PolarHBondContact N-O 3.24Å; D262-T264 WeakPolarHBondContact OD1-CB 3.08Å; D262-T264 PolarHBondContact OD1-N 2.77Å; D262-T264 PolarHBondContact OD1-OG1 3.26Å
265	F	97.8	Very high	95.9	Very high	26 Å²	26	49 Å²	49	11%	0.114	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	163	-177.8	-63.6	-85.8	0	0	0	112.4	D54 G231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.83Å; D54-F265 HydrophobicContact CB-CZ 3.68Å; G231-F265 PolarHBondContact N-O 3.37Å; F232-F265 WeakPolarHBondContact CD1-O 3.32Å; F232-F265 HydrophobicContact CD2-CB 3.92Å; F232-F265 HydrophobicContact CE1-CB 4.3Å; F232-F265 WeakPolarHBondContact CE1-O 3.48Å; F232-F265 HydrophobicContact CE2-CB 3.46Å; F232-F265 VanDerWaalsContact CE2-CB 3.46Å; F232-F265 HydrophobicContact CE2-CG 4.47Å; F232-F265 HydrophobicContact CG-CB 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 3.32Å; F232-F265 PolarHBondContact O-N 2.82Å; Y233-F265 HydrophobicContact CD2-CD2 4.4Å; Y233-F265 AromaticContact CD2-CE2 3.93Å; Y233-F265 HydrophobicContact CD2-CE2 3.93Å; Y233-F265 HydrophobicContact CE2-CE2 4.37Å; A235-F265 HydrophobicContact CB-CD1 3.72Å; A235-F265 HydrophobicContact CB-CD2 3.69Å; A235-F265 HydrophobicContact CB-CE1 3.69Å; A235-F265 HydrophobicContact CB-CE2 3.67Å; A235-F265 HydrophobicContact CB-CG 3.74Å; A235-F265 HydrophobicContact CB-CZ 3.7Å; T257-F265 HydrophobicContact CG2-CB 3.79Å; T257-F265 HydrophobicContact CG2-CD1 3.92Å; T257-F265 HydrophobicContact CG2-CG 4.13Å; R258-F265 WeakPolarHBondContact O-CA 3.45Å; P259-F265 HydrophobicContact CB-CE1 4.28Å
266	Q	98.1	Very high	95.5	Very high	44 Å²	44	50.5 Å²	50.5	21%	0.206	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	146.3	174.2	46.8	170	-28.3	0	0	110.1	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.31Å; A229-Q266 WeakPolarHBondContact O-CA 3.42Å; L230-Q266 HydrophobicContact CD2-CB 3.53Å; R258-Q266 HydrophobicContact CG-CG 3.56Å; R258-Q266 PolarHBondContact N-O 2.97Å; R258-Q266 WeakPolarHBondContact O-CG 3.38Å; R258-Q266 PolarHBondContact O-N 3.06Å
267	K	98.4	Very high	95.4	Very high	20 Å²	20	44.9 Å²	44.9	9%	0.087	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	154.5	176.8	-162.5	-176.7	-171.4	70.4	0	109.1	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 2.98Å; A229-K267 PolarHBondContact O-N 3.2Å; A229-K267 VanDerWaalsContact O-O 3.08Å; F232-K267 HydrophobicContact CE1-CB 4.38Å; F232-K267 HydrophobicContact CZ-CB 4.11Å; I237-K267 HydrophobicContact CG2-CB 4.19Å; I237-K267 HydrophobicContact CG2-CD 3.55Å; L239-K267 HydrophobicContact CD1-CD 4.32Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; V255-K267 HydrophobicContact CG2-CG 4.43Å; V255-K267 VanDerWaalsContact O-CE 3.3Å; V255-K267 WeakPolarHBondContact O-CE 3.35Å; V255-K267 WeakPolarHBondContact O-CG 3.4Å; V255-K267 PolarHBondContact O-NZ 2.84Å; T257-K267 WeakPolarHBondContact OG1-CD 3.35Å; T257-K267 PolarHBondContact OG1-NZ 3.35Å
268	W	98	Very high	95.2	Very high	24 Å²	24	43.8 Å²	43.8	9%	0.091	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	156.8	169.3	59.4	-97.8	0	0	0	111.4	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.03Å; R226-W268 HydrophobicContact CG-CD2 4.13Å; R226-W268 HydrophobicContact CG-CE3 3.86Å; R226-W268 HydrophobicContact CG-CG 4.25Å; C227-W268 CarbonylContact O-C 3.54Å; C227-W268 WeakPolarHBondContact O-CA 3.19Å; C227-W268 VanDerWaalsContact O-CB 3.22Å; C227-W268 WeakPolarHBondContact O-CB 3.24Å; W228-W268 HydrophobicContact CD2-CB 3.9Å; W228-W268 HydrophobicContact CD2-CG 4.39Å; W228-W268 HydrophobicContact CE3-CB 3.82Å; W228-W268 AromaticContact CE3-CD1 3.81Å; W228-W268 HydrophobicContact CE3-CG 4.12Å; W228-W268 HydrophobicContact CG-CB 4.33Å; W228-W268 AromaticContact CH2-CD1 3.58Å; W228-W268 HydrophobicContact CH2-CG 4.2Å; W228-W268 AromaticContact CH2-NE1 3.98Å; W228-W268 HydrophobicContact CZ2-CG 4.47Å; W228-W268 HydrophobicContact CZ3-CB 4.25Å; W228-W268 AromaticContact CZ3-CD1 3.34Å; W228-W268 HydrophobicContact CZ3-CG 4.03Å; E253-W268 HydrophobicContact CB-CZ3 4.24Å; E253-W268 HydrophobicContact CG-CH2 3.89Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.25Å; V255-W268 HydrophobicContact CB-CZ2 4.4Å; V255-W268 HydrophobicContact CG1-CD2 3.97Å; V255-W268 HydrophobicContact CG1-CE3 4.3Å; V255-W268 HydrophobicContact CG1-CH2 3.58Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.11Å; V255-W268 HydrophobicContact CG2-CD2 3.76Å; V255-W268 HydrophobicContact CG2-CE3 4.49Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.4Å; V255-W268 WeakPolarHBondContact CG2-O 3.38Å; V255-W268 PolarHBondContact N-O 2.85Å; W268-A270 HydrophobicContact CE3-CB 3.95Å; W268-A270 HydrophobicContact CZ3-CB 3.64Å
269	A	97.8	Very high	95	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	132.3	174	0	0	0	0	0	108.6	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.19Å; C227-A269 PolarHBondContact N-O 3.36Å; C227-A269 PolarHBondContact O-N 3.39Å; L239-A269 HydrophobicContact CB-CB 4.06Å; L239-A269 HydrophobicContact CD2-CB 4.24Å; W241-A269 VanDerWaalsContact NE1-C 3.33Å; W241-A269 PolarHBondContact NE1-O 3.27Å; T252-A269 HydrophobicContact CG2-CB 3.98Å; E253-A269 CarbonylContact O-C 3.6Å; E253-A269 WeakPolarHBondContact O-CA 3.43Å; L254-A269 HydrophobicContact CD1-CB 3.65Å
270	A	97.3	Very high	94.9	Very high	3 Å²	3	44 Å²	44	3%	0.025	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	146.4	179.5	0	0	0	0	0	112	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.86Å; L225-A270 CarbonylContact O-C 3.53Å; L225-A270 WeakPolarHBondContact O-CA 3.38Å; R226-A270 HydrophobicContact CB-CB 3.97Å; R226-A270 HydrophobicContact CG-CB 4.12Å; T252-A270 CarbonylContact C-O 3.59Å; T252-A270 WeakPolarHBondContact CA-O 3.26Å; E253-A270 HydrophobicContact CB-CB 4.4Å; E253-A270 PolarHBondContact N-O 3.25Å; E253-A270 PolarHBondContact O-N 3.02Å; W268-A270 HydrophobicContact CE3-CB 3.95Å; W268-A270 HydrophobicContact CZ3-CB 3.64Å
271	V	97.3	Very high	94.8	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.012	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	142.1	175.6	63.8	0	0	0	0	109.1	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.23Å; L225-V271 HydrophobicContact CB-CG1 4.3Å; L225-V271 PolarHBondContact N-O 3.18Å; L225-V271 PolarHBondContact O-N 3.28Å; W241-V271 HydrophobicContact CD2-CB 4.38Å; W241-V271 HydrophobicContact CD2-CG1 3.59Å; W241-V271 HydrophobicContact CE3-CG1 3.89Å; W241-V271 HydrophobicContact CG-CB 4.19Å; W241-V271 HydrophobicContact CG-CG1 3.91Å; W241-V271 HydrophobicContact CH2-CG1 4.38Å; W241-V271 HydrophobicContact CZ2-CG1 4.14Å; W241-V271 HydrophobicContact CZ3-CG1 4.28Å; V271-V273 HydrophobicContact CG1-CG1 3.76Å; V271-V273 HydrophobicContact CG2-CG1 4.46Å; V271-Y281 HydrophobicContact CG1-CD1 4.01Å; V271-Y281 HydrophobicContact CG1-CE1 4.43Å; V271-Y281 HydrophobicContact CG2-CD1 4.39Å; V271-Y281 HydrophobicContact CG2-CE1 4.05Å
272	V	96.8	Very high	95	Very high	72 Å²	72	38.7 Å²	38.7	44%	0.436	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	127.4	171.1	-179.7	0	0	0	0	108.1	I218 E222	I218-V272 HydrophobicContact CD1-CG1 4.05Å; I218-V272 HydrophobicContact CD1-CG2 4.11Å; E222-V272 HydrophobicContact CB-CG1 4.12Å; E222-V272 HydrophobicContact CG-CG1 4.31Å
273	V	95.6	Very high	95.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	144.9	-176.6	-52.2	0	0	0	0	110.6	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.42Å; A223-V273 PolarHBondContact N-O 3.27Å; A223-V273 WeakPolarHBondContact O-CG2 3.32Å; A223-V273 PolarHBondContact O-N 3.05Å; L225-V273 HydrophobicContact CD1-CG1 3.97Å; L225-V273 HydrophobicContact CD1-CG2 3.97Å; L225-V273 HydrophobicContact CG-CG1 4.25Å; L225-V273 HydrophobicContact CG-CG2 3.87Å; V271-V273 HydrophobicContact CG1-CG1 3.76Å; V271-V273 HydrophobicContact CG2-CG1 4.46Å; V273-E278 HydrophobicContact CG2-CG 3.96Å; V273-Y281 HydrophobicContact CB-CD2 3.99Å; V273-Y281 HydrophobicContact CB-CE2 3.69Å; V273-Y281 HydrophobicContact CG1-CD1 3.67Å; V273-Y281 HydrophobicContact CG1-CD2 3.58Å; V273-Y281 HydrophobicContact CG1-CE1 3.62Å; V273-Y281 HydrophobicContact CG1-CE2 3.56Å; V273-Y281 HydrophobicContact CG1-CG 3.64Å
274	P	95.3	Very high	95.5	Very high	45 Å²	45	33.1 Å²	33.1	29%	0.292	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	139.5	169.9	-20.3	32.3	0	0	0	111.1	H221 G276 E277	H221-P274 CarbonylContact O-C 3.51Å; H221-P274 WeakPolarHBondContact O-CA 3.42Å; P274-G276 PolarHBondContact O-N 3.04Å; P274-E277 HydrophobicContact CB-CB 4.28Å; P274-E277 HydrophobicContact CB-CG 4.11Å; P274-E277 WeakPolarHBondContact O-CB 3.21Å; P274-E277 PolarHBondContact O-N 2.67Å
275	S	90.8	Very high	95.6	Very high	58 Å²	58	32.4 Å²	32.4	41%	0.406	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	128.7	176.7	-62.8	0	0	0	0	111.2	H221 E222 E278	H221-S275 PolarHBondContact O-N 3.37Å; E222-S275 PolarHBondContact N-OG 2.88Å; S275-E278 WeakPolarHBondContact CA-OE1 3.29Å
276	G	88.9	Confident	95.5	Very high	66 Å²	66	34 Å²	34	68%	0.68	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.1	-7.4	-176.1	0	0	0	0	0	114.6	P274 E278	P274-G276 PolarHBondContact O-N 3.04Å; G276-E278 WeakPolarHBondContact CA-OE2 3.42Å; G276-E278 VanDerWaalsContact N-CD 3.31Å; G276-E278 PolarHBondContact N-OE1 3.18Å; G276-E278 PolarHBondContact N-OE2 2.68Å
277	E	93.3	Very high	95.3	Very high	54 Å²	54	32.4 Å²	32.4	25%	0.252	18%	0.18	S	C	.	.			trans	-100.3	5.2	175.6	-65.1	-159.9	-153	0	0	113.6	R243 P274 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.81Å; R243-E277 IonicContact NE-OE2 2.74Å; R243-E277 IonicContact NH2-OE1 3.89Å; R243-E277 IonicContact NH2-OE2 3.71Å; R243-E277 PolarHBondContact NH2-OE2 3.25Å; P274-E277 HydrophobicContact CB-CB 4.28Å; P274-E277 HydrophobicContact CB-CG 4.11Å; P274-E277 WeakPolarHBondContact O-CB 3.21Å; P274-E277 PolarHBondContact O-N 2.67Å; E277-Q279 PolarHBondContact O-N 3.04Å; E277-R280 WeakPolarHBondContact O-CB 3.36Å; E277-R280 PolarHBondContact O-N 3.27Å; E277-R280 IonicContact OE1-NH1 2.9Å; E277-R280 IonicContact OE2-CZ 3.77Å; E277-R280 IonicContact OE2-NE 2.62Å; E277-R280 IonicContact OE2-NH1 3.08Å; E277-R280 PolarHBondContact OE2-NH1 3.5Å; E277-Y281 HydrophobicContact CB-CE2 4.38Å; E277-Y281 WeakPolarHBondContact O-CD2 3.32Å
278	E	92.6	Very high	95	Very high	22 Å²	22	35.1 Å²	35.1	10%	0.103	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-56.7	-32.6	-172.4	-58.2	80.2	-177.6	0	0	112.6	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.52Å; L225-E278 HydrophobicContact CD1-CB 4.06Å; L225-E278 HydrophobicContact CD1-CG 4.4Å; L225-E278 HydrophobicContact CD2-CG 4.41Å; V273-E278 HydrophobicContact CG2-CG 3.96Å; S275-E278 WeakPolarHBondContact CA-OE1 3.29Å; G276-E278 WeakPolarHBondContact CA-OE2 3.42Å; G276-E278 VanDerWaalsContact N-CD 3.31Å; G276-E278 PolarHBondContact N-OE1 3.18Å; G276-E278 PolarHBondContact N-OE2 2.68Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 2.85Å; E278-Y281 PolarHBondContact O-N 3.44Å; E278-W298 HydrophobicContact CB-CB 4.34Å; E278-W298 HydrophobicContact CB-CG 4.42Å
279	Q	91.8	Very high	94.7	Very high	94 Å²	94	34.8 Å²	34.8	44%	0.439	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-70.1	-19.1	179.8	-63.7	-57.2	-47	0	0	114.1	E277 W298	E277-Q279 PolarHBondContact O-N 3.04Å; Q279-W298 PolarHBondContact NE2-O 2.89Å
280	R	94.7	Very high	94.5	Very high	99 Å²	99	36 Å²	36	37%	0.374	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-77.1	-16.1	176	-62.8	175.3	67.8	179.7	5.8	112	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.04Å; R243-R280 HydrophobicContact CG-CB 4.37Å; D244-R280 PolarHBondContact N-O 3.36Å; D244-R280 IonicContact OD1-NE 3.79Å; D244-R280 PolarHBondContact OD1-NE 2.94Å; D244-R280 IonicContact OD2-CZ 3.55Å; D244-R280 IonicContact OD2-NE 2.7Å; D244-R280 PolarHBondContact OD2-NE 3.46Å; D244-R280 IonicContact OD2-NH2 3.51Å; D244-R280 PolarHBondContact OD2-NH2 3.23Å; E277-R280 WeakPolarHBondContact O-CB 3.36Å; E277-R280 PolarHBondContact O-N 3.27Å; E277-R280 IonicContact OE1-NH1 2.9Å; E277-R280 IonicContact OE2-CZ 3.77Å; E277-R280 IonicContact OE2-NE 2.62Å; E277-R280 IonicContact OE2-NH1 3.08Å; E277-R280 PolarHBondContact OE2-NH1 3.5Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 2.85Å
281	Y	95.6	Very high	94.2	Very high	7 Å²	7	42.3 Å²	42.3	3%	0.027	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	130.7	-177.3	-68.7	-100.1	0	0	0	111.1	Q242 R243 Q248 V271 V273 E277 E278	Q242-Y281 CarbonylContact O-C 3.55Å; Q242-Y281 VanDerWaalsContact O-CA 3.27Å; Q242-Y281 WeakPolarHBondContact O-CA 3.36Å; R243-Y281 HydrophobicContact CB-CD1 4.12Å; R243-Y281 HydrophobicContact CB-CE1 3.94Å; R243-Y281 HydrophobicContact CG-CD1 4.47Å; R243-Y281 HydrophobicContact CG-CD2 4.49Å; R243-Y281 HydrophobicContact CG-CE1 4.11Å; R243-Y281 HydrophobicContact CG-CE2 4.11Å; Q248-Y281 HydrophobicContact CG-CE1 4.41Å; V271-Y281 HydrophobicContact CG1-CD1 4.01Å; V271-Y281 HydrophobicContact CG1-CE1 4.43Å; V271-Y281 HydrophobicContact CG2-CD1 4.39Å; V271-Y281 HydrophobicContact CG2-CE1 4.05Å; V273-Y281 HydrophobicContact CB-CD2 3.99Å; V273-Y281 HydrophobicContact CB-CE2 3.69Å; V273-Y281 HydrophobicContact CG1-CD1 3.67Å; V273-Y281 HydrophobicContact CG1-CD2 3.58Å; V273-Y281 HydrophobicContact CG1-CE1 3.62Å; V273-Y281 HydrophobicContact CG1-CE2 3.56Å; V273-Y281 HydrophobicContact CG1-CG 3.64Å; E277-Y281 HydrophobicContact CB-CE2 4.38Å; E277-Y281 WeakPolarHBondContact O-CD2 3.32Å; E278-Y281 PolarHBondContact O-N 3.44Å
282	T	96.6	Very high	93.9	Very high	11 Å²	11	49.3 Å²	49.3	7%	0.067	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	135.1	176	54.2	0	0	0	0	110.5	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.19Å; W241-T282 VanDerWaalsContact CE3-C 3.47Å; W241-T282 VanDerWaalsContact CE3-O 3.29Å; Q242-T282 PolarHBondContact N-O 2.9Å; Q242-T282 PolarHBondContact O-N 2.99Å; T282-H284 PolarHBondContact OG1-NE2 2.91Å; T282-T295 HydrophobicContact CG2-CG2 4.12Å; T282-L296 CarbonylContact C-O 3.54Å; T282-L296 WeakPolarHBondContact CA-O 3.42Å; T282-R297 HydrophobicContact CG2-CG 3.58Å
283	C	96.9	Very high	93.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	127.1	169.8	173.7	0	0	0	0	109.3	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.52Å; C227-C283 WeakPolarHBondContact CB-SG 3.39Å; C227-C283 WeakPolarHBondContact SG-CB 3.32Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.3Å; T240-C283 CarbonylContact O-C 3.52Å; T240-C283 WeakPolarHBondContact O-CA 3.39Å; W241-C283 HydrophobicContact CD2-CB 4.22Å; W241-C283 HydrophobicContact CE3-CB 4.15Å; W241-C283 HydrophobicContact CH2-CB 4.04Å; W241-C283 HydrophobicContact CZ2-CB 4.09Å; W241-C283 HydrophobicContact CZ3-CB 4.05Å; C283-T295 CarbonylContact O-C 3.59Å; C283-T295 WeakPolarHBondContact O-CA 3.38Å; C283-L296 HydrophobicContact CB-CB 4.23Å; C283-L296 PolarHBondContact N-O 3.42Å; C283-L296 PolarHBondContact O-N 3.5Å
284	H	96.4	Very high	93.7	Very high	33 Å²	33	52.6 Å²	52.6	15%	0.153	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	130.4	176	-63.7	-97.9	0	0	0	109.7	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.46Å; T240-H284 PolarHBondContact N-O 2.7Å; T240-H284 PolarHBondContact O-N 2.72Å; Q242-H284 PolarHBondContact OE1-NE2 3.08Å; T282-H284 PolarHBondContact OG1-NE2 2.91Å; H284-L294 CarbonylContact C-O 3.56Å; H284-L294 WeakPolarHBondContact CA-O 3.47Å; H284-T295 PolarHBondContact CE1-OG1 3.48Å; H284-T295 PolarHBondContact ND1-OG1 2.84Å
285	V	97	Very high	93.7	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	120.9	-178.8	-177.6	0	0	0	0	108.7	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.89Å; T211-V285 HydrophobicContact CG2-CB 4.42Å; T211-V285 HydrophobicContact CG2-CG1 4.16Å; T211-V285 HydrophobicContact CG2-CG2 4.04Å; I237-V285 HydrophobicContact CD1-CG1 4.03Å; I237-V285 HydrophobicContact CG1-CG1 4.38Å; T238-V285 WeakPolarHBondContact O-CA 3.23Å; L239-V285 HydrophobicContact CD1-CG1 4.13Å; L239-V285 HydrophobicContact CD1-CG2 4.46Å; L239-V285 HydrophobicContact CG-CG2 4.25Å; V285-L290 HydrophobicContact CG1-CD1 4.16Å; V285-P293 WeakPolarHBondContact O-CA 3.46Å; V285-L294 HydrophobicContact CB-CB 4.29Å; V285-L294 PolarHBondContact N-O 3.4Å; V285-L294 PolarHBondContact O-N 3.24Å; V285-L296 HydrophobicContact CG2-CD1 3.94Å
286	Q	96.3	Very high	93.8	Very high	61 Å²	61	53.1 Å²	53.1	29%	0.285	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	128	174.4	-57.5	177.9	9.9	0	0	109	W23 I237 T238 P293	W23-Q286 WeakPolarHBondContact CH2-O 3.46Å; W23-Q286 HydrophobicContact CZ2-CB 4.35Å; I237-Q286 VanDerWaalsContact CG1-O 3.29Å; I237-Q286 WeakPolarHBondContact CG1-O 3.21Å; T238-Q286 PolarHBondContact N-O 3.06Å; T238-Q286 PolarHBondContact O-N 2.04Å; Q286-P293 HydrophobicContact CG-CB 4.02Å; Q286-P293 HydrophobicContact CG-CG 4.16Å
287	H	94.9	Very high	94	Very high	9 Å²	9	57.3 Å²	57.3	4%	0.042	29%	0.289	C	S	.	.			trans	-154.1	150.5	-179.1	-171.9	-97.5	0	0	0	110.1	D207 P209 F232 Y233 P234 E236 I237 G289 L290	D207-H287 PolarHBondContact O-CE1 3.24Å; D207-H287 VanDerWaalsContact O-CE1 3.3Å; P209-H287 HydrophobicContact CG-CB 3.96Å; F232-H287 AromaticContact CD2-CD2 3.84Å; F232-H287 AromaticContact CD2-NE2 3.69Å; Y233-H287 PolarHBondContact O-CE1 3.12Å; Y233-H287 VanDerWaalsContact O-CE1 3.22Å; P234-H287 PolarHBondContact O-NE2 3Å; E236-H287 PolarHBondContact O-CD2 2.84Å; I237-H287 HydrophobicContact CD1-CB 4.34Å; I237-H287 HydrophobicContact CG1-CB 4.09Å; H287-G289 VanDerWaalsContact C-N 3.26Å; H287-G289 PolarHBondContact ND1-N 2.82Å; H287-G289 PolarHBondContact O-N 3.45Å; H287-L290 HydrophobicContact CB-CD1 3.92Å; H287-L290 HydrophobicContact CB-CG 4.1Å; H287-L290 WeakPolarHBondContact O-CB 3.46Å; H287-L290 PolarHBondContact O-N 2.9Å
288	E	91	Very high	93.7	Very high	78 Å²	78	56.9 Å²	56.9	36%	0.364	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-35.1	-177	-158.3	-178.2	151.9	0	0	112.2	W23 T206 L290	W23-E288 HydrophobicContact CB-CG 4.48Å; W23-E288 HydrophobicContact CE3-CB 3.62Å; W23-E288 HydrophobicContact CE3-CG 4.29Å; W23-E288 HydrophobicContact CZ3-CB 4.11Å; W23-E288 WeakPolarHBondContact O-CG 3.48Å; T206-E288 HydrophobicContact CG2-CB 4.02Å; T206-E288 HydrophobicContact CG2-CG 3.96Å; E288-L290 PolarHBondContact O-N 3.45Å
289	G	91.4	Very high	93	Very high	16 Å²	16	63.2 Å²	63.2	17%	0.165	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-8	178.7	0	0	0	0	0	113.6	H287	H287-G289 VanDerWaalsContact C-N 3.26Å; H287-G289 PolarHBondContact ND1-N 2.82Å; H287-G289 PolarHBondContact O-N 3.45Å
290	L	93.4	Very high	91.5	Very high	26 Å²	26	65 Å²	65	14%	0.136	33%	0.326	C	S	.	.			trans	-94.7	127.7	177.5	-64.4	171.5	0	0	0	110.4	P208 P209 V285 H287 E288 E292 L294	P208-L290 HydrophobicContact CB-CD2 3.89Å; P208-L290 HydrophobicContact CB-CG 4.5Å; P209-L290 HydrophobicContact CG-CD1 3.86Å; P209-L290 HydrophobicContact CG-CD2 4.4Å; P209-L290 HydrophobicContact CG-CG 4.19Å; V285-L290 HydrophobicContact CG1-CD1 4.16Å; H287-L290 HydrophobicContact CB-CD1 3.92Å; H287-L290 HydrophobicContact CB-CG 4.1Å; H287-L290 WeakPolarHBondContact O-CB 3.46Å; H287-L290 PolarHBondContact O-N 2.9Å; E288-L290 PolarHBondContact O-N 3.45Å; L290-E292 WeakPolarHBondContact CB-O 3.36Å; L290-E292 PolarHBondContact O-N 3.28Å; L290-L294 HydrophobicContact CD1-CB 4.46Å; L290-L294 HydrophobicContact CD1-CD1 3.86Å; L290-L294 HydrophobicContact CD1-CG 3.83Å; L290-L294 HydrophobicContact CD2-CD1 3.59Å; L290-L294 HydrophobicContact CD2-CG 3.91Å; L290-L294 HydrophobicContact CG-CD1 4.39Å; L290-L294 HydrophobicContact CG-CG 4.46Å
291	P	91.3	Very high	89.2	Confident	135 Å²	135	65 Å²	65	88%	0.877	34%	0.342	S	S	*	.	S	Bend	trans	-65.3	-30.9	176.3	27	-34	0	0	0	112.2
292	E	91.5	Very high	86.6	Confident	150 Å²	150	69.5 Å²	69.5	70%	0.701	38%	0.375	S	S	*	.	S	Bend	trans	-142	149.7	174.5	-64.9	-176.4	179.3	0	0	109.4	L290 L294	L290-E292 WeakPolarHBondContact CB-O 3.36Å; L290-E292 PolarHBondContact O-N 3.28Å; E292-L294 PolarHBondContact O-N 2.86Å
293	P	93.8	Very high	84	Confident	80 Å²	80	77.3 Å²	77.3	52%	0.519	41%	0.41	S	S	.	.			trans	-53.6	133.5	174.2	-27.9	36.4	0	0	0	112.6	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.46Å; Q286-P293 HydrophobicContact CG-CB 4.02Å; Q286-P293 HydrophobicContact CG-CG 4.16Å
294	L	94.3	Very high	81.2	Confident	60 Å²	60	82.8 Å²	82.8	31%	0.314	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	139.4	176.1	-66	175	0	0	0	110.3	T211 H284 V285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.2Å; H284-L294 CarbonylContact C-O 3.56Å; H284-L294 WeakPolarHBondContact CA-O 3.47Å; V285-L294 HydrophobicContact CB-CB 4.29Å; V285-L294 PolarHBondContact N-O 3.4Å; V285-L294 PolarHBondContact O-N 3.24Å; L290-L294 HydrophobicContact CD1-CB 4.46Å; L290-L294 HydrophobicContact CD1-CD1 3.86Å; L290-L294 HydrophobicContact CD1-CG 3.83Å; L290-L294 HydrophobicContact CD2-CD1 3.59Å; L290-L294 HydrophobicContact CD2-CG 3.91Å; L290-L294 HydrophobicContact CG-CD1 4.39Å; L290-L294 HydrophobicContact CG-CG 4.46Å; E292-L294 PolarHBondContact O-N 2.86Å
295	T	95.3	Very high	78.8	Confident	79 Å²	79	87.4 Å²	87.4	49%	0.485	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	116.1	170.8	-57.2	0	0	0	0	108.7	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 4.12Å; C283-T295 CarbonylContact O-C 3.59Å; C283-T295 WeakPolarHBondContact O-CA 3.38Å; H284-T295 PolarHBondContact CE1-OG1 3.48Å; H284-T295 PolarHBondContact ND1-OG1 2.84Å
296	L	93.7	Very high	76.9	Confident	35 Å²	35	92.8 Å²	92.8	18%	0.183	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	139.6	-177.3	-62.2	153.2	0	0	0	109.6	T211 M213 T282 C283 V285	T211-L296 HydrophobicContact CG2-CD1 4.08Å; M213-L296 HydrophobicContact CG-CB 4.35Å; M213-L296 HydrophobicContact SD-CB 3.88Å; T282-L296 CarbonylContact C-O 3.54Å; T282-L296 WeakPolarHBondContact CA-O 3.42Å; C283-L296 HydrophobicContact CB-CB 4.23Å; C283-L296 PolarHBondContact N-O 3.42Å; C283-L296 PolarHBondContact O-N 3.5Å; V285-L296 HydrophobicContact CG2-CD1 3.94Å
297	R	91.9	Very high	75	Confident	154 Å²	154	94.4 Å²	94.4	58%	0.581	52%	0.52	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.4	152.4	170	-70.3	-172.2	177.1	164.2	0.1	109.1	T282 E299	T282-R297 HydrophobicContact CG2-CG 3.58Å; R297-E299 PolarHBondContact O-N 3.14Å; R297-E299 VanDerWaalsContact O-N 3.11Å
298	W	87.8	Confident	73.3	Confident	46 Å²	46	99.6 Å²	99.6	17%	0.174	55%	0.547	C	S	.	.			trans	-65.2	113.2	172.1	178.1	-122.2	0	0	0	108.9	M213 H215 L225 E278 Q279	M213-W298 HydrophobicContact CB-CE3 3.92Å; M213-W298 HydrophobicContact CB-CZ3 4.33Å; M213-W298 HydrophobicContact CE-CB 3.59Å; M213-W298 HydrophobicContact CE-CE3 4.37Å; M213-W298 PolarHBondContact SD-N 2.86Å; H215-W298 HydrophobicContact CB-CD2 3.96Å; H215-W298 HydrophobicContact CB-CE3 4.05Å; H215-W298 HydrophobicContact CB-CH2 3.45Å; H215-W298 VanDerWaalsContact CB-CH2 3.45Å; H215-W298 HydrophobicContact CB-CZ2 3.31Å; H215-W298 HydrophobicContact CB-CZ3 3.81Å; H215-W298 AromaticContact CG-CE2 3.99Å; H215-W298 AromaticContact CG-CZ2 3.94Å; L225-W298 HydrophobicContact CD1-CB 4.42Å; L225-W298 HydrophobicContact CD2-CB 4.02Å; L225-W298 HydrophobicContact CD2-CD2 4.17Å; L225-W298 HydrophobicContact CD2-CG 3.94Å; E278-W298 HydrophobicContact CB-CB 4.34Å; E278-W298 HydrophobicContact CB-CG 4.42Å; Q279-W298 PolarHBondContact NE2-O 2.89Å
299	E	77.9	Confident	71.9	Confident	154 Å²	154	101.7 Å²	101.7	72%	0.72	56%	0.564	S	S	*	*			trans	-89	125.5	169.6	-70.9	-173.7	174.3	0	0	109	R297 S301	R297-E299 PolarHBondContact O-N 3.14Å; R297-E299 VanDerWaalsContact O-N 3.11Å; E299-S301 PolarHBondContact O-N 3.43Å
300	L	60.6	Low	70.6	Confident	131 Å²	131	103.1 Å²	103.1	69%	0.686	58%	0.579	S	S	*	*			trans	-63.9	-0.8	177.2	-115.9	92.1	0	0	0	113.8	S302	L300-S302 PolarHBondContact O-N 3.06Å; L300-S302 VanDerWaalsContact O-N 3.11Å
301	S	46.5	Very low	69.6	Low	99 Å²	99	106.3 Å²	106.3	69%	0.692	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	83.8	-167.9	-177.5	0	0	0	0	112.6	E299	E299-S301 PolarHBondContact O-N 3.43Å
302	S	40.9	Very low	68.8	Low	103 Å²	103	104.6 Å²	104.6	72%	0.72	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-170.4	38.7	141.8	52	0	0	0	0	113.8	L300	L300-S302 PolarHBondContact O-N 3.06Å; L300-S302 VanDerWaalsContact O-N 3.11Å
303	Q	40.3	Very low	68	Low	174 Å²	174	99.9 Å²	99.9	81%	0.813	56%	0.564	S	S	*	*	S	Bend	trans	-83.6	119.8	146.9	-81.3	-170.3	-15	0	0	107	T305	Q303-T305 VanDerWaalsContact C-N 3.27Å; Q303-T305 PolarHBondContact O-N 3.33Å
304	P	38.2	Very low	67.3	Low	116 Å²	116	97.6 Å²	97.6	75%	0.753	56%	0.555	S	S	*	*			trans	-62.9	101.1	165.1	26.6	-29.3	0	0	0	105.8	I306	P304-I306 PolarHBondContact O-N 3.12Å
305	T	47.6	Very low	66.9	Low	130 Å²	130	100.2 Å²	100.2	80%	0.798	57%	0.569	S	S	*	*			trans	-59.9	95.4	159.9	33.4	0	0	0	0	105.4	Q303 P307	Q303-T305 VanDerWaalsContact C-N 3.27Å; Q303-T305 PolarHBondContact O-N 3.33Å; T305-P307 VanDerWaalsContact O-N 3.16Å
306	I	55.6	Low	66.3	Low	113 Å²	113	101.1 Å²	101.1	58%	0.579	57%	0.574	S	S	*	*			trans	-43.1	125.4	164.6	-64	170.9	0	0	0	105.1	P304 I308 I311	P304-I306 PolarHBondContact O-N 3.12Å; I306-I308 PolarHBondContact O-N 2.96Å; I306-I311 HydrophobicContact CG2-CD1 3.61Å
307	P	56.9	Low	65.7	Low	94 Å²	94	105 Å²	105	61%	0.61	60%	0.595	S	S	*	*			trans	-70.5	86.8	-177.1	27.6	-32.4	0	0	0	107.9	T305 V309 G310 I311	T305-P307 VanDerWaalsContact O-N 3.16Å; P307-V309 PolarHBondContact O-N 3.42Å; P307-G310 PolarHBondContact O-N 2.94Å; P307-I311 PolarHBondContact O-N 3.38Å
308	I	60.3	Low	65.3	Low	118 Å²	118	102.8 Å²	102.8	61%	0.605	59%	0.594	S	S	*	*	H	α-helix	trans	-52.7	-32.8	179	-66.7	170.4	0	0	0	109.6	I306 G310 I311 I312	I306-I308 PolarHBondContact O-N 2.96Å; I308-G310 PolarHBondContact O-N 2.93Å; I308-I311 PolarHBondContact O-N 3.1Å; I308-I312 HydrophobicContact CG2-CD1 3.72Å; I308-I312 HydrophobicContact CG2-CG1 4.32Å; I308-I312 VanDerWaalsContact O-CG1 3.3Å; I308-I312 WeakPolarHBondContact O-CG1 3.44Å; I308-I312 PolarHBondContact O-N 3.26Å
309	V	60.4	Low	65	Low	122 Å²	122	102.3 Å²	102.3	74%	0.739	60%	0.603	S	S	*	*	H	α-helix	trans	-61.5	-39.8	175.7	-175.4	0	0	0	0	112.7	P307 A313	P307-V309 PolarHBondContact O-N 3.42Å; V309-A313 WeakPolarHBondContact O-CB 3.46Å; V309-A313 PolarHBondContact O-N 3.4Å
310	G	65.4	Low	65.1	Low	46 Å²	46	97.8 Å²	97.8	47%	0.474	59%	0.592	S	S	.	*	H	α-helix	trans	-69.9	-36.6	179.2	0	0	0	0	0	112.8	P307 I308 G314	P307-G310 PolarHBondContact O-N 2.94Å; I308-G310 PolarHBondContact O-N 2.93Å; G310-G314 PolarHBondContact O-N 3.23Å
311	I	71.6	Confident	66.1	Low	94 Å²	94	96.5 Å²	96.5	48%	0.482	59%	0.59	S	S	.	*	H	α-helix	trans	-69.6	-43.7	176.5	-62.4	175.2	0	0	0	110.5	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.61Å; P307-I311 PolarHBondContact O-N 3.38Å; I308-I311 PolarHBondContact O-N 3.1Å; I311-G314 PolarHBondContact O-N 3.42Å; I311-L315 HydrophobicContact CG2-CD1 3.9Å; I311-L315 HydrophobicContact CG2-CG 4.4Å; I311-L315 WeakPolarHBondContact O-CB 3.13Å; I311-L315 WeakPolarHBondContact O-CG 3.49Å; I311-L315 PolarHBondContact O-N 3.01Å
312	I	74.3	Confident	67.8	Low	98 Å²	98	96.6 Å²	96.6	50%	0.503	58%	0.581	S	S	.	*	H	α-helix	trans	-63.2	-46.5	177.4	-67	170.6	0	0	0	110.6	I308 G314 L315 V316	I308-I312 HydrophobicContact CG2-CD1 3.72Å; I308-I312 HydrophobicContact CG2-CG1 4.32Å; I308-I312 VanDerWaalsContact O-CG1 3.3Å; I308-I312 WeakPolarHBondContact O-CG1 3.44Å; I308-I312 PolarHBondContact O-N 3.26Å; I312-G314 VanDerWaalsContact C-N 3.33Å; I312-G314 PolarHBondContact O-N 3.43Å; I312-L315 PolarHBondContact O-N 2.87Å; I312-V316 HydrophobicContact CG2-CG2 4.36Å; I312-V316 VanDerWaalsContact O-CG2 3.29Å; I312-V316 WeakPolarHBondContact O-CG2 3.32Å; I312-V316 PolarHBondContact O-N 2.79Å
313	A	74.7	Confident	69.5	Low	51 Å²	51	95.9 Å²	95.9	42%	0.421	57%	0.573	S	S	.	*	H	α-helix	trans	-60.8	-42.2	177.3	0	0	0	0	0	111.9	V309 V316 L317	V309-A313 WeakPolarHBondContact O-CB 3.46Å; V309-A313 PolarHBondContact O-N 3.4Å; A313-V316 PolarHBondContact O-N 2.91Å; A313-L317 WeakPolarHBondContact O-CB 3.3Å; A313-L317 WeakPolarHBondContact O-CG 3.17Å; A313-L317 PolarHBondContact O-N 3.4Å
314	G	79.3	Confident	71.3	Confident	32 Å²	32	89.7 Å²	89.7	33%	0.33	56%	0.555	S	S	.	*	H	α-helix	trans	-62.4	-44.4	175.8	0	0	0	0	0	113.2	G310 I311 I312 L317 L318	G310-G314 PolarHBondContact O-N 3.23Å; I311-G314 PolarHBondContact O-N 3.42Å; I312-G314 VanDerWaalsContact C-N 3.33Å; I312-G314 PolarHBondContact O-N 3.43Å; G314-L317 PolarHBondContact O-N 2.7Å; G314-L318 WeakPolarHBondContact O-CB 2.91Å; G314-L318 PolarHBondContact O-N 2.96Å
315	L	84.8	Confident	73.2	Confident	115 Å²	115	87 Å²	87	60%	0.602	54%	0.543	S	S	*	.	H	α-helix	trans	-66.5	-39.5	178.2	-74.2	171	0	0	0	112.5	I311 I312 L318 G319	I311-L315 HydrophobicContact CG2-CD1 3.9Å; I311-L315 HydrophobicContact CG2-CG 4.4Å; I311-L315 WeakPolarHBondContact O-CB 3.13Å; I311-L315 WeakPolarHBondContact O-CG 3.49Å; I311-L315 PolarHBondContact O-N 3.01Å; I312-L315 PolarHBondContact O-N 2.87Å; L315-L318 PolarHBondContact O-N 3.14Å; L315-G319 PolarHBondContact O-N 3.37Å
316	V	83.4	Confident	74.8	Confident	98 Å²	98	85 Å²	85	59%	0.594	53%	0.53	S	S	*	.	H	α-helix	trans	-64.8	-43.2	176.3	171.1	0	0	0	0	111	I312 A313 G319 A320	I312-V316 HydrophobicContact CG2-CG2 4.36Å; I312-V316 VanDerWaalsContact O-CG2 3.29Å; I312-V316 WeakPolarHBondContact O-CG2 3.32Å; I312-V316 PolarHBondContact O-N 2.79Å; A313-V316 PolarHBondContact O-N 2.91Å; V316-G319 PolarHBondContact O-N 3.32Å; V316-A320 PolarHBondContact O-N 2.98Å
317	L	81.3	Confident	75.8	Confident	118 Å²	118	83.7 Å²	83.7	62%	0.618	53%	0.528	S	S	*	.	H	α-helix	trans	-63.5	-44.1	176.5	-75.9	168.9	0	0	0	112	A313 G314 G319 A320 V321	A313-L317 WeakPolarHBondContact O-CB 3.3Å; A313-L317 WeakPolarHBondContact O-CG 3.17Å; A313-L317 PolarHBondContact O-N 3.4Å; G314-L317 PolarHBondContact O-N 2.7Å; L317-G319 VanDerWaalsContact C-N 3.34Å; L317-G319 PolarHBondContact O-N 3.13Å; L317-A320 PolarHBondContact O-N 3.33Å; L317-V321 WeakPolarHBondContact O-CG2 3.38Å; L317-V321 PolarHBondContact O-N 2.98Å
318	L	82.6	Confident	76.6	Confident	107 Å²	107	82 Å²	82	56%	0.56	52%	0.522	S	S	*	.	H	α-helix	trans	-59.8	-44.3	174.5	-103.3	146.6	0	0	0	111.7	G314 L315 A320 V321 I322	G314-L318 WeakPolarHBondContact O-CB 2.91Å; G314-L318 PolarHBondContact O-N 2.96Å; L315-L318 PolarHBondContact O-N 3.14Å; L318-A320 VanDerWaalsContact C-N 3.33Å; L318-A320 PolarHBondContact O-N 2.95Å; L318-V321 PolarHBondContact O-N 3.02Å; L318-I322 HydrophobicContact CD2-CD1 4.4Å; L318-I322 VanDerWaalsContact O-CG1 3.26Å; L318-I322 WeakPolarHBondContact O-CG1 3.36Å; L318-I322 PolarHBondContact O-N 3.11Å
319	G	81.8	Confident	77.3	Confident	36 Å²	36	79 Å²	79	37%	0.371	51%	0.514	S	S	.	.	H	α-helix	trans	-59.6	-41.4	175.8	0	0	0	0	0	113	L315 V316 L317 T323	L315-G319 PolarHBondContact O-N 3.37Å; V316-G319 PolarHBondContact O-N 3.32Å; L317-G319 VanDerWaalsContact C-N 3.34Å; L317-G319 PolarHBondContact O-N 3.13Å; G319-T323 PolarHBondContact O-N 3.18Å; G319-T323 PolarHBondContact O-OG1 3.24Å
320	A	80.3	Confident	77.9	Confident	59 Å²	59	77.1 Å²	77.1	49%	0.488	50%	0.503	S	S	.	.	H	α-helix	trans	-67.9	-39.7	177.6	0	0	0	0	0	112.6	V316 L317 L318 T323 G324	V316-A320 PolarHBondContact O-N 2.98Å; L317-A320 PolarHBondContact O-N 3.33Å; L318-A320 VanDerWaalsContact C-N 3.33Å; L318-A320 PolarHBondContact O-N 2.95Å; A320-T323 WeakPolarHBondContact CA-OG1 3.43Å; A320-T323 PolarHBondContact O-OG1 3.01Å; A320-T323 VanDerWaalsContact O-OG1 3.06Å; A320-G324 PolarHBondContact O-N 3.11Å
321	V	82.9	Confident	78.2	Confident	104 Å²	104	81.1 Å²	81.1	63%	0.63	51%	0.511	S	S	*	.	H	α-helix	trans	-66.4	-43.4	177.2	172.5	0	0	0	0	111.1	L317 L318 G324 A325	L317-V321 WeakPolarHBondContact O-CG2 3.38Å; L317-V321 PolarHBondContact O-N 2.98Å; L318-V321 PolarHBondContact O-N 3.02Å; V321-G324 PolarHBondContact O-N 2.82Å; V321-A325 WeakPolarHBondContact O-CB 3.4Å; V321-A325 PolarHBondContact O-N 3.12Å
322	I	81.3	Confident	78.2	Confident	101 Å²	101	86.1 Å²	86.1	52%	0.518	52%	0.524	S	S	.	.	H	α-helix	trans	-65.1	-45.6	179.5	-66.1	169.9	0	0	0	110.5	L318 G324 A325 V326	L318-I322 HydrophobicContact CD2-CD1 4.4Å; L318-I322 VanDerWaalsContact O-CG1 3.26Å; L318-I322 WeakPolarHBondContact O-CG1 3.36Å; L318-I322 PolarHBondContact O-N 3.11Å; I322-G324 PolarHBondContact O-N 3.4Å; I322-A325 PolarHBondContact O-N 3.24Å; I322-V326 HydrophobicContact CG2-CG2 4.44Å; I322-V326 VanDerWaalsContact O-CG2 3.28Å; I322-V326 WeakPolarHBondContact O-CG2 3.49Å; I322-V326 PolarHBondContact O-N 3.06Å
323	T	76.8	Confident	77.8	Confident	88 Å²	88	91.3 Å²	91.3	54%	0.54	54%	0.537	S	S	.	.	H	α-helix	trans	-63.1	-41.9	176.5	40.3	0	0	0	0	111.9	G319 A320 V326 V327	G319-T323 PolarHBondContact O-N 3.18Å; G319-T323 PolarHBondContact O-OG1 3.24Å; A320-T323 WeakPolarHBondContact CA-OG1 3.43Å; A320-T323 PolarHBondContact O-OG1 3.01Å; A320-T323 VanDerWaalsContact O-OG1 3.06Å; T323-V326 PolarHBondContact O-N 3Å; T323-V327 VanDerWaalsContact O-CG2 3.28Å; T323-V327 WeakPolarHBondContact O-CG2 3.27Å; T323-V327 PolarHBondContact O-N 3.39Å
324	G	77	Confident	77.2	Confident	43 Å²	43	99 Å²	99	44%	0.443	56%	0.555	S	S	.	*	H	α-helix	trans	-59.1	-45.9	173.1	0	0	0	0	0	113.2	A320 V321 I322 V327 A328	A320-G324 PolarHBondContact O-N 3.11Å; V321-G324 PolarHBondContact O-N 2.82Å; I322-G324 PolarHBondContact O-N 3.4Å; G324-V327 PolarHBondContact O-N 3.02Å; G324-A328 WeakPolarHBondContact O-CB 3.37Å; G324-A328 PolarHBondContact O-N 2.89Å
325	A	79	Confident	76.1	Confident	61 Å²	61	106.5 Å²	106.5	50%	0.504	58%	0.579	S	S	.	*	H	α-helix	trans	-64.8	-40.4	178.7	0	0	0	0	0	112.5	V321 I322 A328 A329	V321-A325 WeakPolarHBondContact O-CB 3.4Å; V321-A325 PolarHBondContact O-N 3.12Å; I322-A325 PolarHBondContact O-N 3.24Å; A325-A328 PolarHBondContact O-N 3.41Å; A325-A329 WeakPolarHBondContact O-CB 3.42Å; A325-A329 PolarHBondContact O-N 3.48Å
326	V	80.3	Confident	74.7	Confident	86 Å²	86	105.2 Å²	105.2	52%	0.521	58%	0.579	S	S	.	*	H	α-helix	trans	-65.1	-45.1	176.5	171.9	0	0	0	0	110.9	I322 T323 A328 A329 V330	I322-V326 HydrophobicContact CG2-CG2 4.44Å; I322-V326 VanDerWaalsContact O-CG2 3.28Å; I322-V326 WeakPolarHBondContact O-CG2 3.49Å; I322-V326 PolarHBondContact O-N 3.06Å; T323-V326 PolarHBondContact O-N 3Å; V326-A328 PolarHBondContact O-N 3.41Å; V326-A329 PolarHBondContact O-N 2.84Å; V326-V330 HydrophobicContact CG1-CG2 4.35Å; V326-V330 WeakPolarHBondContact O-CB 3.4Å; V326-V330 VanDerWaalsContact O-CG2 3.27Å; V326-V330 WeakPolarHBondContact O-CG2 3.46Å; V326-V330 PolarHBondContact O-N 3.24Å
327	V	77.5	Confident	73.1	Confident	87 Å²	87	108.2 Å²	108.2	53%	0.527	60%	0.604	S	S	.	*	H	α-helix	trans	-62.2	-44.2	177.3	173.3	0	0	0	0	110.8	T323 G324 A329 V330 M331	T323-V327 VanDerWaalsContact O-CG2 3.28Å; T323-V327 WeakPolarHBondContact O-CG2 3.27Å; T323-V327 PolarHBondContact O-N 3.39Å; G324-V327 PolarHBondContact O-N 3.02Å; V327-A329 PolarHBondContact O-N 2.71Å; V327-V330 PolarHBondContact O-N 3.25Å; V327-M331 HydrophobicContact CG1-CG 4.43Å; V327-M331 HydrophobicContact CG1-SD 4.13Å; V327-M331 WeakPolarHBondContact O-CB 3.45Å; V327-M331 WeakPolarHBondContact O-CG 3.31Å; V327-M331 PolarHBondContact O-N 2.8Å
328	A	73.9	Confident	72.7	Confident	59 Å²	59	107.7 Å²	107.7	49%	0.488	60%	0.604	S	S	.	*	H	α-helix	trans	-61.6	-43.7	176.2	0	0	0	0	0	112.2	G324 A325 V326 M331 W332	G324-A328 WeakPolarHBondContact O-CB 3.37Å; G324-A328 PolarHBondContact O-N 2.89Å; A325-A328 PolarHBondContact O-N 3.41Å; V326-A328 PolarHBondContact O-N 3.41Å; A328-M331 PolarHBondContact O-N 2.93Å; A328-W332 WeakPolarHBondContact O-CB 3.39Å; A328-W332 PolarHBondContact O-N 3.27Å
329	A	74.8	Confident	72.2	Confident	53 Å²	53	107.7 Å²	107.7	44%	0.438	61%	0.606	S	S	.	*	H	α-helix	trans	-65	-40.1	177.1	0	0	0	0	0	112.5	A325 V326 V327 W332 R333	A325-A329 WeakPolarHBondContact O-CB 3.42Å; A325-A329 PolarHBondContact O-N 3.48Å; V326-A329 PolarHBondContact O-N 2.84Å; V327-A329 PolarHBondContact O-N 2.71Å; A329-W332 PolarHBondContact O-N 3.11Å; A329-R333 PolarHBondContact O-N 3.09Å
330	V	73.2	Confident	71.7	Confident	84 Å²	84	111.7 Å²	111.7	51%	0.509	62%	0.619	S	S	.	*	H	α-helix	trans	-66.9	-43	176.1	170.4	0	0	0	0	111.1	V326 V327 W332 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.35Å; V326-V330 WeakPolarHBondContact O-CB 3.4Å; V326-V330 VanDerWaalsContact O-CG2 3.27Å; V326-V330 WeakPolarHBondContact O-CG2 3.46Å; V326-V330 PolarHBondContact O-N 3.24Å; V327-V330 PolarHBondContact O-N 3.25Å; V330-W332 VanDerWaalsContact C-N 3.32Å; V330-W332 PolarHBondContact O-N 3.49Å; V330-R333 PolarHBondContact O-N 3.34Å; V330-R334 PolarHBondContact O-N 3.18Å
331	M	72.1	Confident	71.2	Confident	130 Å²	130	114.8 Å²	114.8	64%	0.64	63%	0.627	S	S	*	*	H	α-helix	trans	-63.2	-39.2	175.1	-75	-176.3	68.5	0	0	111.9	V327 A328 R334 K335	V327-M331 HydrophobicContact CG1-CG 4.43Å; V327-M331 HydrophobicContact CG1-SD 4.13Å; V327-M331 WeakPolarHBondContact O-CB 3.45Å; V327-M331 WeakPolarHBondContact O-CG 3.31Å; V327-M331 PolarHBondContact O-N 2.8Å; A328-M331 PolarHBondContact O-N 2.93Å; M331-R334 PolarHBondContact O-N 3.34Å; M331-K335 PolarHBondContact O-N 2.89Å
332	W	70.3	Confident	70.4	Confident	198 Å²	198	115.5 Å²	115.5	75%	0.75	63%	0.627	S	S	*	*	H	α-helix	trans	-66.1	-44.6	176.8	-162.6	2.3	0	0	0	111.4	A328 A329 V330 R334 K335 S336	A328-W332 WeakPolarHBondContact O-CB 3.39Å; A328-W332 PolarHBondContact O-N 3.27Å; A329-W332 PolarHBondContact O-N 3.11Å; V330-W332 VanDerWaalsContact C-N 3.32Å; V330-W332 PolarHBondContact O-N 3.49Å; W332-R334 VanDerWaalsContact C-N 3.31Å; W332-R334 PolarHBondContact O-N 3.16Å; W332-K335 PolarHBondContact O-N 3.39Å; W332-K335 VanDerWaalsContact O-N 3.08Å; W332-S336 PolarHBondContact O-N 2.99Å; W332-S336 VanDerWaalsContact O-N 3.17Å; W332-S336 PolarHBondContact O-OG 3.37Å
333	R	66.4	Low	69.7	Low	207 Å²	207	116.5 Å²	116.5	78%	0.781	63%	0.634	S	S	*	*	H	α-helix	trans	-60.1	-36.3	174	-101.5	-175.3	174.1	177.2	-0.6	113.5	A329 V330 K335 S336	A329-R333 PolarHBondContact O-N 3.09Å; V330-R333 PolarHBondContact O-N 3.34Å; R333-K335 VanDerWaalsContact C-N 3.29Å; R333-K335 PolarHBondContact O-N 3.07Å; R333-S336 WeakPolarHBondContact CA-OG 3.39Å; R333-S336 PolarHBondContact O-OG 2.61Å
334	R	61.5	Low	69.2	Low	213 Å²	213	118.5 Å²	118.5	80%	0.804	64%	0.64	S	S	*	*	H	α-helix	trans	-70	-23	175.6	-103.8	-173.2	172.3	-176.2	-1.5	113.7	V330 M331 W332	V330-R334 PolarHBondContact O-N 3.18Å; M331-R334 PolarHBondContact O-N 3.34Å; W332-R334 VanDerWaalsContact C-N 3.31Å; W332-R334 PolarHBondContact O-N 3.16Å
335	K	56.9	Low	68.6	Low	190 Å²	190	124.3 Å²	124.3	83%	0.826	66%	0.656	S	S	*	*	H	α-helix	trans	-92.9	-13.6	-179.7	-148.1	-179.8	-175.1	-176.2	0	112.8	M331 W332 R333	M331-K335 PolarHBondContact O-N 2.89Å; W332-K335 PolarHBondContact O-N 3.39Å; W332-K335 VanDerWaalsContact O-N 3.08Å; R333-K335 VanDerWaalsContact C-N 3.29Å; R333-K335 PolarHBondContact O-N 3.07Å
336	S	55.3	Low	67.7	Low	88 Å²	88	129.6 Å²	129.6	62%	0.615	67%	0.668	S	S	*	*			trans	-106.4	13.9	-179.8	63	0	0	0	0	113.7	W332 R333	W332-S336 PolarHBondContact O-N 2.99Å; W332-S336 VanDerWaalsContact O-N 3.17Å; W332-S336 PolarHBondContact O-OG 3.37Å; R333-S336 WeakPolarHBondContact CA-OG 3.39Å; R333-S336 PolarHBondContact O-OG 2.61Å
337	S	50.4	Low	66.6	Low	160 Å²	160	133.5 Å²	133.5	100%	1.119	68%	0.682	S	S	*	*			trans	-123.1	0	173	-171.4	0	0	0	0	110

Retrieved 337 of 337 residues in 122.9 ms (Link to these results)

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