A0A059WRJ1_HUMAN Loading...

MHC class I antigen

AlphaFold DB (C3VIU8), UniProt , Accession A0A059WRJ1, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 273 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	S	95.4	Very high	98.5	Very high	92 Å²	92	37 Å²	37	64%	0.643	20%	0.202	S	C	*	.				0	159.1	0	40.9	0	0	0	0	107.3	V102	S1-V102 WeakPolarHBondContact CA-O 3.45Å; S1-V102 WeakPolarHBondContact CB-O 3.33Å
2	H	98.4	Very high	98.5	Very high	40 Å²	40	35.3 Å²	35.3	19%	0.185	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	159.3	-177.6	-65.1	-76	0	0	0	111.3	D28 D101 V102 L167 L171	H2-D28 VanDerWaalsContact CA-OD1 3.23Å; H2-D28 WeakPolarHBondContact CA-OD1 3.38Å; H2-D28 IonicContact CE1-OD2 2.77Å; H2-D28 IonicContact CG-OD2 2.67Å; H2-D28 IonicContact ND1-OD1 3.5Å; H2-D28 IonicContact ND1-OD2 3.68Å; H2-D28 PolarHBondContact ND1-OD2 2.89Å; H2-D101 CarbonylContact O-C 3.53Å; H2-D101 WeakPolarHBondContact O-CA 3.33Å; H2-V102 HydrophobicContact CB-CG2 4.1Å; H2-V102 PolarHBondContact N-O 3.23Å; H2-V102 PolarHBondContact O-N 2.94Å; H2-L167 HydrophobicContact CB-CD1 4.37Å; H2-L171 HydrophobicContact CB-CD1 3.77Å; H2-L171 HydrophobicContact CB-CD2 4Å; H2-L171 HydrophobicContact CB-CG 4.46Å; H2-L171 VanDerWaalsContact CG-CD2 3.49Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.25Å
3	S	98.7	Very high	98.3	Very high	25 Å²	25	38.2 Å²	38.2	18%	0.175	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	148.2	176.9	63.7	0	0	0	0	111.2	V27 D28 C100 D101	S3-V27 CarbonylContact O-C 3.57Å; S3-V27 VanDerWaalsContact O-CA 3.31Å; S3-V27 WeakPolarHBondContact O-CA 3.35Å; S3-D28 PolarHBondContact N-OD1 3.33Å; S3-D28 PolarHBondContact O-N 3.19Å; S3-D28 PolarHBondContact OG-OD1 3.39Å; S3-C100 WeakPolarHBondContact CA-O 3.46Å; S3-D101 WeakPolarHBondContact CB-OD1 3.45Å
4	M	98.9	Very high	98.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	128.1	165.4	-173.8	169.2	65.6	0	0	108.4	Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170	M4-Y6 HydrophobicContact CE-CE2 4.24Å; M4-Y6 HydrophobicContact CG-CE2 4.27Å; M4-Y6 HydrophobicContact SD-CE2 4.26Å; M4-Y26 CarbonylContact C-O 3.58Å; M4-Y26 WeakPolarHBondContact CA-O 3.33Å; M4-V27 HydrophobicContact CG-CG2 4.33Å; M4-F32 HydrophobicContact CG-CE1 4.4Å; M4-F32 HydrophobicContact SD-CZ 4.29Å; M4-G99 CarbonylContact O-C 3.55Å; M4-G99 WeakPolarHBondContact O-CA 3.45Å; M4-C100 PolarHBondContact N-O 2.62Å; M4-C100 PolarHBondContact O-N 3.12Å; M4-C163 HydrophobicContact CE-CB 4.21Å; M4-C163 WeakPolarHBondContact CE-O 3.34Å; M4-C163 VanDerWaalsContact CE-SG 3.57Å; M4-W166 HydrophobicContact CE-CB 4.1Å; M4-W166 HydrophobicContact SD-CB 4.49Å; M4-L167 HydrophobicContact CB-CB 4.05Å; M4-L167 HydrophobicContact CB-CD1 4.02Å; M4-L167 HydrophobicContact CB-CD2 4.09Å; M4-L167 HydrophobicContact CB-CG 4.26Å; M4-L167 HydrophobicContact CE-CB 4.39Å; M4-L167 HydrophobicContact SD-CB 4.4Å; M4-Y170 HydrophobicContact SD-CD2 3.7Å; M4-Y170 HydrophobicContact SD-CE2 3.53Å; M4-Y170 VanDerWaalsContact SD-CE2 3.53Å
5	R	98.8	Very high	97.8	Very high	49 Å²	49	42.9 Å²	42.9	19%	0.185	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	139.5	-177.5	-58.4	-63.1	-179.5	82.4	7	111.1	F7 G25 Y26 Y98 D101 H112	R5-F7 HydrophobicContact CB-CD2 4.34Å; R5-F7 HydrophobicContact CB-CE2 3.54Å; R5-F7 HydrophobicContact CB-CZ 3.8Å; R5-F7 HydrophobicContact CG-CZ 4.39Å; R5-G25 CarbonylContact O-C 3.43Å; R5-G25 WeakPolarHBondContact O-CA 3.44Å; R5-Y26 PolarHBondContact N-O 3.16Å; R5-Y26 PolarHBondContact O-N 2.9Å; R5-Y98 WeakPolarHBondContact CA-O 3.19Å; R5-D101 IonicContact CZ-OD1 3.81Å; R5-D101 IonicContact NE-OD1 3.27Å; R5-D101 PolarHBondContact NE-OD1 3.38Å; R5-D101 IonicContact NH2-OD1 2.77Å; R5-D101 PolarHBondContact NH2-OD1 3.05Å; R5-D101 IonicContact NH2-OD2 3.55Å; R5-D101 PolarHBondContact NH2-OD2 3.3Å; R5-H112 PolarHBondContact NH2-NE2 2.05Å; R5-H112 VanDerWaalsContact NH2-NE2 3.15Å
6	Y	98.9	Very high	97.7	Very high	13 Å²	13	53.3 Å²	53.3	5%	0.051	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135.7	167.1	-68.8	-89.1	0	0	0	109.2	M4 V24 F32 V33 Y66 M97 Y98	M4-Y6 HydrophobicContact CE-CE2 4.24Å; M4-Y6 HydrophobicContact CG-CE2 4.27Å; M4-Y6 HydrophobicContact SD-CE2 4.26Å; Y6-V24 WeakPolarHBondContact CA-O 3.36Å; Y6-F32 HydrophobicContact CE1-CZ 4.11Å; Y6-F32 AromaticContact CZ-CZ 3.87Å; Y6-V33 HydrophobicContact CE1-CG2 4.1Å; Y6-Y66 WeakPolarHBondContact CE1-OH 3.45Å; Y6-M97 WeakPolarHBondContact O-CA 3.37Å; Y6-Y98 HydrophobicContact CD2-CD2 4.46Å; Y6-Y98 AromaticContact CD2-CE2 3.66Å; Y6-Y98 HydrophobicContact CD2-CE2 3.66Å; Y6-Y98 AromaticContact CD2-CZ 3.85Å; Y6-Y98 HydrophobicContact CE2-CE2 4.48Å; Y6-Y98 HydrophobicContact CG-CE1 4.49Å; Y6-Y98 HydrophobicContact CG-CE2 4.16Å; Y6-Y98 AromaticContact CG-CZ 3.88Å; Y6-Y98 PolarHBondContact N-O 3.04Å; Y6-Y98 PolarHBondContact O-N 3.48Å
7	F	98.9	Very high	97.4	Very high	85 Å²	85	53.4 Å²	53.4	37%	0.373	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	117.9	178.8	-58.3	-93.1	0	0	0	109.3	R5 S23 V24 Y26 S96 M97	R5-F7 HydrophobicContact CB-CD2 4.34Å; R5-F7 HydrophobicContact CB-CE2 3.54Å; R5-F7 HydrophobicContact CB-CZ 3.8Å; R5-F7 HydrophobicContact CG-CZ 4.39Å; F7-S23 WeakPolarHBondContact O-CA 3.43Å; F7-V24 HydrophobicContact CB-CG2 3.88Å; F7-V24 HydrophobicContact CD2-CG2 4.3Å; F7-V24 PolarHBondContact N-O 2.9Å; F7-V24 PolarHBondContact O-N 3.13Å; F7-Y26 HydrophobicContact CD2-CD2 4.02Å; F7-Y26 HydrophobicContact CE2-CD2 4.02Å; F7-Y26 HydrophobicContact CE2-CG 4.46Å; F7-S96 WeakPolarHBondContact CA-O 3.41Å; F7-M97 HydrophobicContact CD1-CB 4.05Å; F7-M97 HydrophobicContact CD1-CG 3.64Å; F7-M97 HydrophobicContact CE1-CB 4.24Å; F7-M97 HydrophobicContact CE1-CG 3.41Å; F7-M97 VanDerWaalsContact CE1-CG 3.41Å; F7-M97 HydrophobicContact CZ-CG 4.12Å
8	Y	98.9	Very high	97.4	Very high	7 Å²	7	55.6 Å²	55.6	3%	0.027	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	140.9	178.2	-60.1	-12.2	0	0	0	109.9	F21 I22 S23 Y66 Q69 Q95 S96 Y98	Y8-F21 HydrophobicContact CD1-CZ 4.07Å; Y8-F21 HydrophobicContact CD2-CE2 4.12Å; Y8-F21 HydrophobicContact CD2-CZ 4.08Å; Y8-F21 HydrophobicContact CE1-CZ 4.43Å; Y8-F21 HydrophobicContact CE2-CZ 4.39Å; Y8-F21 HydrophobicContact CG-CE2 4.01Å; Y8-F21 AromaticContact CG-CZ 3.89Å; Y8-F21 HydrophobicContact CG-CZ 3.89Å; Y8-I22 CarbonylContact C-O 3.51Å; Y8-I22 WeakPolarHBondContact CA-O 3.33Å; Y8-S23 VanDerWaalsContact CD1-CB 3.48Å; Y8-S23 WeakPolarHBondContact CD1-OG 2.96Å; Y8-S23 WeakPolarHBondContact CE1-OG 3.26Å; Y8-Y66 HydrophobicContact CE1-CD1 4.22Å; Y8-Y66 AromaticContact CE1-CE1 3.82Å; Y8-Y66 HydrophobicContact CE1-CE1 3.82Å; Y8-Y66 AromaticContact CZ-CE1 3.92Å; Y8-Y66 WeakPolarHBondContact OH-CE1 3.5Å; Y8-Q69 HydrophobicContact CD2-CG 3.8Å; Y8-Q69 HydrophobicContact CE2-CG 3.68Å; Y8-Q95 VanDerWaalsContact O-CA 3.3Å; Y8-Q95 WeakPolarHBondContact O-CA 3.48Å; Y8-S96 PolarHBondContact N-O 2.81Å; Y8-S96 PolarHBondContact O-N 3.5Å; Y8-Y98 HydrophobicContact CD2-CE1 4.25Å; Y8-Y98 HydrophobicContact CE1-CE1 4.17Å; Y8-Y98 AromaticContact CE2-CE1 3.56Å; Y8-Y98 HydrophobicContact CE2-CE1 3.56Å; Y8-Y98 AromaticContact CZ-CE1 3.54Å; Y8-Y98 AromaticContact CZ-CZ 3.94Å; Y8-Y98 PolarHBondContact OH-OH 3.31Å
9	T	98.9	Very high	97.4	Very high	44 Å²	44	54.1 Å²	54.1	27%	0.27	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	120.4	173.5	-58.2	0	0	0	0	109.5	V11 I22 T93 Q95	T9-V11 HydrophobicContact CG2-CG2 3.91Å; T9-I22 PolarHBondContact N-O 3.39Å; T9-I22 PolarHBondContact O-N 2.84Å; T9-T93 HydrophobicContact CG2-CG2 4.1Å; T9-Q95 HydrophobicContact CG2-CG 4.31Å
10	S	98.8	Very high	97.4	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.007	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	118.7	176.3	-78.4	0	0	0	0	110.2	R20 F21 D73 T93 L94	S10-R20 CarbonylContact C-O 3.46Å; S10-R20 VanDerWaalsContact CA-O 3.28Å; S10-R20 WeakPolarHBondContact CA-O 3.47Å; S10-F21 VanDerWaalsContact OG-CD2 3.31Å; S10-F21 WeakPolarHBondContact OG-CD2 3.48Å; S10-D73 WeakPolarHBondContact CB-OD2 3.36Å; S10-D73 WeakPolarHBondContact OG-CB 3.08Å; S10-D73 PolarHBondContact OG-OD2 3.45Å; S10-T93 CarbonylContact O-C 3.54Å; S10-T93 WeakPolarHBondContact O-CA 3.5Å; S10-L94 PolarHBondContact N-O 2.75Å; S10-L94 PolarHBondContact O-N 3.13Å
11	V	98.7	Very high	97.5	Very high	51 Å²	51	53 Å²	53	31%	0.309	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	114.2	-177.1	-173.4	0	0	0	0	109.9	T9 P19 R20 T93	T9-V11 HydrophobicContact CG2-CG2 3.91Å; V11-P19 CarbonylContact O-C 3.59Å; V11-P19 WeakPolarHBondContact O-CA 3.34Å; V11-R20 PolarHBondContact N-O 3.16Å; V11-R20 PolarHBondContact O-N 2.67Å; V11-T93 HydrophobicContact CG2-CG2 4.24Å
12	S	98.3	Very high	97.7	Very high	16 Å²	16	51 Å²	51	11%	0.112	28%	0.277	C	S	.	.			trans	-71.4	145.2	173.9	77.1	0	0	0	0	110.8	S91 H92	S12-S91 WeakPolarHBondContact O-CB 3.15Å; S12-S91 PolarHBondContact O-OG 3.15Å; S12-H92 PolarHBondContact N-O 2.86Å; S12-H92 PolarHBondContact OG-N 2.86Å; S12-H92 PolarHBondContact OG-O 3.02Å
13	R	96.9	Very high	97.7	Very high	74 Å²	74	49.1 Å²	49.1	28%	0.279	27%	0.268	S	S	.	.			trans	-141.3	71.2	-178	51.2	175.8	175.9	-164.4	-6.2	111.1	G15 R16 E18 D38	R13-G15 PolarHBondContact O-N 2.84Å; R13-R16 HydrophobicContact CB-CB 4.18Å; R13-R16 WeakPolarHBondContact CD-O 3.47Å; R13-R16 HydrophobicContact CG-CB 4.2Å; R13-R16 PolarHBondContact NE-O 3.31Å; R13-R16 PolarHBondContact O-N 2.88Å; R13-E18 PolarHBondContact NE-O 3.3Å; R13-E18 PolarHBondContact NH2-O 3.17Å; R13-D38 IonicContact CZ-OD1 2.9Å; R13-D38 IonicContact CZ-OD2 2.71Å; R13-D38 IonicContact NH1-OD1 3.51Å; R13-D38 IonicContact NH1-OD2 2.75Å; R13-D38 PolarHBondContact NH1-OD2 3.07Å; R13-D38 IonicContact NH2-OD1 3.26Å; R13-D38 PolarHBondContact NH2-OD1 2.85Å; R13-D38 IonicContact NH2-OD2 3.27Å; R13-D38 PolarHBondContact NH2-OD2 3.07Å
14	P	94.3	Very high	97.7	Very high	58 Å²	58	49.3 Å²	49.3	38%	0.377	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49	131.1	-177.1	-26.9	34.9	0	0	0	112.4	R16 E88 G90	P14-R16 VanDerWaalsContact C-N 3.28Å; P14-R16 PolarHBondContact O-N 3.34Å; P14-E88 WeakPolarHBondContact CB-O 3.46Å; P14-E88 WeakPolarHBondContact CG-O 3.37Å; P14-G90 VanDerWaalsContact CG-O 3.25Å; P14-G90 WeakPolarHBondContact CG-O 3.45Å
15	G	94.3	Very high	97.7	Very high	89 Å²	89	49.3 Å²	49.3	92%	0.918	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	0.4	-176.7	0	0	0	0	0	115.8	R13	R13-G15 PolarHBondContact O-N 2.84Å
16	R	95.4	Very high	97.7	Very high	209 Å²	209	50.2 Å²	50.2	79%	0.789	27%	0.272	S	S	*	.	S	Bend	trans	-126	27.3	178.2	-57.5	-173	-173.6	173.3	2.8	113.4	R13 P14	R13-R16 HydrophobicContact CB-CB 4.18Å; R13-R16 WeakPolarHBondContact CD-O 3.47Å; R13-R16 HydrophobicContact CG-CB 4.2Å; R13-R16 PolarHBondContact NE-O 3.31Å; R13-R16 PolarHBondContact O-N 2.88Å; P14-R16 VanDerWaalsContact C-N 3.28Å; P14-R16 PolarHBondContact O-N 3.34Å
17	G	93.8	Very high	97.7	Very high	55 Å²	55	49.6 Å²	49.6	57%	0.567	27%	0.269	S	S	*	.	S	Bend	trans	93.9	-162.9	-179.6	0	0	0	0	0	113.4
18	E	96.1	Very high	97.7	Very high	93 Å²	93	47 Å²	47	44%	0.435	26%	0.259	S	S	.	.	S	Bend	trans	-73.5	159.7	-177.9	-64.5	-54.5	158.2	0	0	112.8	R13 R20 R74	R13-E18 PolarHBondContact NE-O 3.3Å; R13-E18 PolarHBondContact NH2-O 3.17Å; E18-R20 PolarHBondContact O-N 2.89Å; E18-R74 VanDerWaalsContact CD-NE 3.27Å; E18-R74 IonicContact OE1-CZ 3.98Å; E18-R74 IonicContact OE1-NE 4Å; E18-R74 IonicContact OE1-NH2 2.85Å; E18-R74 PolarHBondContact OE1-NH2 2.85Å; E18-R74 WeakPolarHBondContact OE2-CD 3.38Å; E18-R74 IonicContact OE2-CZ 2.77Å; E18-R74 IonicContact OE2-NE 3.14Å; E18-R74 PolarHBondContact OE2-NE 2.82Å; E18-R74 IonicContact OE2-NH2 3.8Å; E18-R74 PolarHBondContact OE2-NH2 3.02Å; E18-R74 VanDerWaalsContact OE2-NH2 3.12Å
19	P	97.8	Very high	97.6	Very high	26 Å²	26	49.7 Å²	49.7	17%	0.169	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-52	133.9	172.2	-25.1	34.3	0	0	0	111.5	V11 R74 L77	V11-P19 CarbonylContact O-C 3.59Å; V11-P19 WeakPolarHBondContact O-CA 3.34Å; P19-R74 HydrophobicContact CG-CB 4.43Å; P19-R74 HydrophobicContact CG-CG 4.23Å; P19-L77 HydrophobicContact CB-CD1 3.67Å; P19-L77 HydrophobicContact CG-CD1 3.8Å
20	R	98.6	Very high	97.6	Very high	86 Å²	86	48.3 Å²	48.3	33%	0.325	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	127.7	173.8	-177.5	-176.6	-175	-178.6	-0.7	108.5	S10 V11 E18 I22 D36 S37 D38	S10-R20 CarbonylContact C-O 3.46Å; S10-R20 VanDerWaalsContact CA-O 3.28Å; S10-R20 WeakPolarHBondContact CA-O 3.47Å; V11-R20 PolarHBondContact N-O 3.16Å; V11-R20 PolarHBondContact O-N 2.67Å; E18-R20 PolarHBondContact O-N 2.89Å; R20-I22 HydrophobicContact CG-CG1 4.24Å; R20-D36 IonicContact CZ-OD1 3.72Å; R20-D36 IonicContact CZ-OD2 3.82Å; R20-D36 IonicContact NE-OD1 2.64Å; R20-D36 PolarHBondContact NE-OD1 2.81Å; R20-D36 IonicContact NE-OD2 3.12Å; R20-D36 IonicContact NH2-OD1 3.33Å; R20-D36 PolarHBondContact NH2-OD1 3.22Å; R20-D36 IonicContact NH2-OD2 3.08Å; R20-D36 PolarHBondContact NH2-OD2 3.44Å; R20-S37 WeakPolarHBondContact CA-OG 3.46Å; R20-D38 VanDerWaalsContact CD-OD2 3.25Å; R20-D38 WeakPolarHBondContact CD-OD2 3.39Å; R20-D38 HydrophobicContact CG-CB 4.32Å; R20-D38 IonicContact NE-OD2 2.62Å
21	F	98.8	Very high	97.6	Very high	1 Å²	1	50.9 Å²	50.9	0%	0.004	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	127	174.7	175.2	-89.6	0	0	0	109.8	Y8 S10 F35 S37 Y66 Q69 A70	Y8-F21 HydrophobicContact CD1-CZ 4.07Å; Y8-F21 HydrophobicContact CD2-CE2 4.12Å; Y8-F21 HydrophobicContact CD2-CZ 4.08Å; Y8-F21 HydrophobicContact CE1-CZ 4.43Å; Y8-F21 HydrophobicContact CE2-CZ 4.39Å; Y8-F21 HydrophobicContact CG-CE2 4.01Å; Y8-F21 AromaticContact CG-CZ 3.89Å; Y8-F21 HydrophobicContact CG-CZ 3.89Å; S10-F21 VanDerWaalsContact OG-CD2 3.31Å; S10-F21 WeakPolarHBondContact OG-CD2 3.48Å; F21-F35 AromaticContact CD1-CD1 3.66Å; F21-F35 HydrophobicContact CD1-CD1 3.66Å; F21-F35 AromaticContact CD1-CE1 3.81Å; F21-F35 HydrophobicContact CD1-CE1 3.81Å; F21-F35 AromaticContact CE1-CD1 3.86Å; F21-F35 HydrophobicContact CE1-CD1 3.86Å; F21-F35 HydrophobicContact CE1-CE1 4.3Å; F21-S37 PolarHBondContact N-OG 2.97Å; F21-S37 PolarHBondContact O-N 3.06Å; F21-S37 PolarHBondContact O-OG 3.32Å; F21-Y66 HydrophobicContact CE1-CD1 4.15Å; F21-Y66 HydrophobicContact CE1-CG 4.43Å; F21-Y66 HydrophobicContact CZ-CD1 4.34Å; F21-Q69 HydrophobicContact CE2-CB 4.19Å; F21-Q69 HydrophobicContact CE2-CG 3.65Å; F21-Q69 HydrophobicContact CZ-CB 4.06Å; F21-Q69 HydrophobicContact CZ-CG 3.83Å; F21-A70 HydrophobicContact CB-CB 3.61Å; F21-A70 HydrophobicContact CD1-CB 4.04Å; F21-A70 HydrophobicContact CD2-CB 4.19Å; F21-A70 HydrophobicContact CG-CB 3.68Å
22	I	98.9	Very high	97.6	Very high	49 Å²	49	48.5 Å²	48.5	25%	0.251	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	135.1	173.5	-57.3	175.2	0	0	0	108	Y8 T9 R20 F35	Y8-I22 CarbonylContact C-O 3.51Å; Y8-I22 WeakPolarHBondContact CA-O 3.33Å; T9-I22 PolarHBondContact N-O 3.39Å; T9-I22 PolarHBondContact O-N 2.84Å; R20-I22 HydrophobicContact CG-CG1 4.24Å; I22-F35 WeakPolarHBondContact CA-O 3.23Å
23	S	98.9	Very high	97.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	139.8	170.7	161.5	0	0	0	0	109.7	F7 Y8 R34 F35 Y66	F7-S23 WeakPolarHBondContact O-CA 3.43Å; Y8-S23 VanDerWaalsContact CD1-CB 3.48Å; Y8-S23 WeakPolarHBondContact CD1-OG 2.96Å; Y8-S23 WeakPolarHBondContact CE1-OG 3.26Å; S23-R34 CarbonylContact O-C 3.52Å; S23-R34 VanDerWaalsContact O-CA 3.3Å; S23-R34 WeakPolarHBondContact O-CA 3.46Å; S23-F35 PolarHBondContact N-O 3.32Å; S23-F35 PolarHBondContact O-N 2.94Å; S23-Y66 WeakPolarHBondContact OG-CE1 3.4Å
24	V	98.9	Very high	97.7	Very high	30 Å²	30	48.2 Å²	48.2	18%	0.182	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	140.2	168.9	-64.1	0	0	0	0	110	Y6 F7 Y26 Q31 V33 R34	Y6-V24 WeakPolarHBondContact CA-O 3.36Å; F7-V24 HydrophobicContact CB-CG2 3.88Å; F7-V24 HydrophobicContact CD2-CG2 4.3Å; F7-V24 PolarHBondContact N-O 2.9Å; F7-V24 PolarHBondContact O-N 3.13Å; V24-Y26 HydrophobicContact CB-CE2 4.06Å; V24-Y26 HydrophobicContact CG2-CD2 4.28Å; V24-Y26 HydrophobicContact CG2-CE2 3.77Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.31Å; V24-V33 WeakPolarHBondContact CA-O 3.46Å; V24-R34 HydrophobicContact CG1-CB 4.39Å; V24-R34 HydrophobicContact CG1-CG 4.24Å
25	G	98.8	Very high	97.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	138.1	176.7	0	0	0	0	0	111	R5 Q31 F32 V33	R5-G25 CarbonylContact O-C 3.43Å; R5-G25 WeakPolarHBondContact O-CA 3.44Å; G25-Q31 WeakPolarHBondContact O-CA 3.28Å; G25-F32 WeakPolarHBondContact O-CD1 3.38Å; G25-F32 PolarHBondContact O-N 3.3Å; G25-V33 PolarHBondContact N-O 3.04Å; G25-V33 VanDerWaalsContact N-O 3.14Å
26	Y	98.9	Very high	98.2	Very high	68 Å²	68	42 Å²	42	27%	0.267	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	141	179.1	-78.6	-102.2	0	0	0	111.2	M4 R5 F7 V24 T30 Q31 F32	M4-Y26 CarbonylContact C-O 3.58Å; M4-Y26 WeakPolarHBondContact CA-O 3.33Å; R5-Y26 PolarHBondContact N-O 3.16Å; R5-Y26 PolarHBondContact O-N 2.9Å; F7-Y26 HydrophobicContact CD2-CD2 4.02Å; F7-Y26 HydrophobicContact CE2-CD2 4.02Å; F7-Y26 HydrophobicContact CE2-CG 4.46Å; V24-Y26 HydrophobicContact CB-CE2 4.06Å; V24-Y26 HydrophobicContact CG2-CD2 4.28Å; V24-Y26 HydrophobicContact CG2-CE2 3.77Å; Y26-T30 WeakPolarHBondContact CA-O 3.17Å; Y26-Q31 HydrophobicContact CD1-CB 4.08Å; Y26-Q31 HydrophobicContact CD2-CB 4.48Å; Y26-Q31 HydrophobicContact CD2-CG 4.34Å; Y26-Q31 HydrophobicContact CE1-CB 3.58Å; Y26-Q31 HydrophobicContact CE1-CG 4.33Å; Y26-Q31 HydrophobicContact CE2-CB 4.02Å; Y26-Q31 HydrophobicContact CE2-CG 3.84Å; Y26-Q31 HydrophobicContact CG-CB 4.5Å; Y26-F32 VanDerWaalsContact N-CE1 3.31Å
27	V	98.8	Very high	98.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	117.2	156.6	176.6	0	0	0	0	106.3	S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178	S3-V27 CarbonylContact O-C 3.57Å; S3-V27 VanDerWaalsContact O-CA 3.31Å; S3-V27 WeakPolarHBondContact O-CA 3.35Å; M4-V27 HydrophobicContact CG-CG2 4.33Å; V27-D29 PolarHBondContact O-N 3.42Å; V27-T30 PolarHBondContact N-O 3.27Å; V27-T30 WeakPolarHBondContact O-CB 3.42Å; V27-T30 PolarHBondContact O-N 2.79Å; V27-F32 HydrophobicContact CG2-CD1 4.04Å; V27-F32 HydrophobicContact CG2-CE1 4.03Å; V27-W50 HydrophobicContact CB-CH2 4.48Å; V27-W50 HydrophobicContact CB-CZ2 4.49Å; V27-W50 HydrophobicContact CG2-CH2 3.9Å; V27-W50 HydrophobicContact CG2-CZ2 4.39Å; V27-L167 HydrophobicContact CG1-CD1 3.62Å; V27-L167 HydrophobicContact CG2-CD1 4.2Å; V27-Y170 HydrophobicContact CG2-CD2 3.99Å; V27-L171 HydrophobicContact CG1-CD2 4.13Å; V27-L178 HydrophobicContact CB-CD1 4.37Å; V27-L178 HydrophobicContact CB-CD2 4.23Å; V27-L178 HydrophobicContact CG1-CD1 3.98Å; V27-L178 HydrophobicContact CG1-CD2 4.12Å
28	D	98.4	Very high	98.5	Very high	30 Å²	30	34.3 Å²	34.3	16%	0.16	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	48	-126.5	-166.1	-51	-41	0	0	0	110.8	H2 S3 T30	H2-D28 VanDerWaalsContact CA-OD1 3.23Å; H2-D28 WeakPolarHBondContact CA-OD1 3.38Å; H2-D28 IonicContact CE1-OD2 2.77Å; H2-D28 IonicContact CG-OD2 2.67Å; H2-D28 IonicContact ND1-OD1 3.5Å; H2-D28 IonicContact ND1-OD2 3.68Å; H2-D28 PolarHBondContact ND1-OD2 2.89Å; S3-D28 PolarHBondContact N-OD1 3.33Å; S3-D28 PolarHBondContact O-N 3.19Å; S3-D28 PolarHBondContact OG-OD1 3.39Å; D28-T30 VanDerWaalsContact C-N 3.31Å; D28-T30 PolarHBondContact O-N 3.34Å
29	D	98.3	Very high	98.6	Very high	63 Å²	63	31.5 Å²	31.5	34%	0.337	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	12.4	178	-62.4	-53.3	0	0	0	113.6	V27 Y208 P209 A210 F240	V27-D29 PolarHBondContact O-N 3.42Å; D29-Y208 HydrophobicContact CB-CE2 3.78Å; D29-P209 WeakPolarHBondContact OD2-CB 3.18Å; D29-A210 WeakPolarHBondContact OD2-CB 3.35Å; D29-A210 PolarHBondContact OD2-N 2.97Å; D29-F240 HydrophobicContact CB-CE2 3.78Å; D29-F240 HydrophobicContact CB-CZ 3.78Å
30	T	98.4	Very high	98.6	Very high	15 Å²	15	35.8 Å²	35.8	9%	0.092	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	110.5	-178.6	-58.8	0	0	0	0	111.2	Y26 V27 D28 F32 L178 Y208 R238	Y26-T30 WeakPolarHBondContact CA-O 3.17Å; V27-T30 PolarHBondContact N-O 3.27Å; V27-T30 WeakPolarHBondContact O-CB 3.42Å; V27-T30 PolarHBondContact O-N 2.79Å; D28-T30 VanDerWaalsContact C-N 3.31Å; D28-T30 PolarHBondContact O-N 3.34Å; T30-F32 PolarHBondContact O-N 3.36Å; T30-L178 HydrophobicContact CG2-CD2 4.08Å; T30-Y208 WeakPolarHBondContact OG1-CE2 3.44Å; T30-Y208 PolarHBondContact OG1-OH 3.39Å; T30-R238 PolarHBondContact OG1-NE 3.02Å
31	Q	98.6	Very high	98.6	Very high	56 Å²	56	35.4 Å²	35.4	26%	0.262	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	132.5	171.8	-167.3	-179.5	-2.9	0	0	110.4	V24 G25 Y26 V33 R47	V24-Q31 VanDerWaalsContact CG1-NE2 3.31Å; G25-Q31 WeakPolarHBondContact O-CA 3.28Å; Y26-Q31 HydrophobicContact CD1-CB 4.08Å; Y26-Q31 HydrophobicContact CD2-CB 4.48Å; Y26-Q31 HydrophobicContact CD2-CG 4.34Å; Y26-Q31 HydrophobicContact CE1-CB 3.58Å; Y26-Q31 HydrophobicContact CE1-CG 4.33Å; Y26-Q31 HydrophobicContact CE2-CB 4.02Å; Y26-Q31 HydrophobicContact CE2-CG 3.84Å; Y26-Q31 HydrophobicContact CG-CB 4.5Å; Q31-V33 PolarHBondContact NE2-O 3.01Å; Q31-R47 HydrophobicContact CG-CB 4.2Å; Q31-R47 HydrophobicContact CG-CG 4.46Å
32	F	98.7	Very high	98.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	-22.1	-179.5	74	-84	0	0	0	114.7	M4 Y6 G25 Y26 V27 T30 R47 A48 W50 I51 Y170	M4-F32 HydrophobicContact CG-CE1 4.4Å; M4-F32 HydrophobicContact SD-CZ 4.29Å; Y6-F32 HydrophobicContact CE1-CZ 4.11Å; Y6-F32 AromaticContact CZ-CZ 3.87Å; G25-F32 WeakPolarHBondContact O-CD1 3.38Å; G25-F32 PolarHBondContact O-N 3.3Å; Y26-F32 VanDerWaalsContact N-CE1 3.31Å; V27-F32 HydrophobicContact CG2-CD1 4.04Å; V27-F32 HydrophobicContact CG2-CE1 4.03Å; T30-F32 PolarHBondContact O-N 3.36Å; F32-R47 PolarHBondContact O-N 2.86Å; F32-A48 HydrophobicContact CB-CB 4.03Å; F32-W50 HydrophobicContact CB-CH2 3.15Å; F32-W50 HydrophobicContact CB-CZ2 3.33Å; F32-W50 HydrophobicContact CB-CZ3 3.98Å; F32-W50 AromaticContact CD1-CH2 3.97Å; F32-W50 HydrophobicContact CD1-CH2 3.97Å; F32-W50 AromaticContact CD2-CH2 3.72Å; F32-W50 HydrophobicContact CD2-CH2 3.72Å; F32-W50 HydrophobicContact CD2-CZ3 4.01Å; F32-W50 AromaticContact CG-CH2 3.37Å; F32-W50 HydrophobicContact CG-CH2 3.37Å; F32-W50 HydrophobicContact CG-CZ2 4.03Å; F32-W50 HydrophobicContact CG-CZ3 4.12Å; F32-I51 HydrophobicContact CD2-CB 4.44Å; F32-I51 HydrophobicContact CD2-CD1 4.04Å; F32-I51 HydrophobicContact CD2-CG1 4.08Å; F32-I51 HydrophobicContact CE2-CD1 4.35Å; F32-I51 VanDerWaalsContact O-CG2 3.31Å; F32-I51 WeakPolarHBondContact O-CG2 3.38Å; F32-Y170 HydrophobicContact CE2-CD2 4.36Å; F32-Y170 AromaticContact CE2-CE2 3.75Å; F32-Y170 HydrophobicContact CE2-CE2 3.75Å; F32-Y170 HydrophobicContact CZ-CD2 4.4Å; F32-Y170 AromaticContact CZ-CE2 3.9Å; F32-Y170 HydrophobicContact CZ-CE2 3.9Å
33	V	98.8	Very high	98.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	158.6	176.1	-71.7	0	0	0	0	112.7	Y6 V24 G25 Q31 E44 E45 I51 W59	Y6-V33 HydrophobicContact CE1-CG2 4.1Å; V24-V33 WeakPolarHBondContact CA-O 3.46Å; G25-V33 PolarHBondContact N-O 3.04Å; G25-V33 VanDerWaalsContact N-O 3.14Å; Q31-V33 PolarHBondContact NE2-O 3.01Å; V33-E44 HydrophobicContact CB-CG 3.91Å; V33-E44 HydrophobicContact CG1-CG 3.94Å; V33-E45 WeakPolarHBondContact CA-O 3.39Å; V33-I51 HydrophobicContact CG1-CG1 4.34Å; V33-W59 HydrophobicContact CG1-CH2 4.28Å; V33-W59 HydrophobicContact CG1-CZ3 3.94Å
34	R	98.8	Very high	98.5	Very high	84 Å²	84	41.5 Å²	41.5	32%	0.317	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	147.2	169.6	176.5	178.1	169.9	-172.5	-3.3	110.8	S23 V24 D36 E44 E45 R47	S23-R34 CarbonylContact O-C 3.52Å; S23-R34 VanDerWaalsContact O-CA 3.3Å; S23-R34 WeakPolarHBondContact O-CA 3.46Å; V24-R34 HydrophobicContact CG1-CB 4.39Å; V24-R34 HydrophobicContact CG1-CG 4.24Å; R34-D36 IonicContact CZ-OD2 3.71Å; R34-D36 IonicContact NH2-OD2 3.7Å; R34-D36 PolarHBondContact NH2-OD2 2.98Å; R34-E44 WeakPolarHBondContact O-CA 3.18Å; R34-E45 PolarHBondContact N-O 2.9Å; R34-E45 PolarHBondContact O-N 3.24Å; R34-R47 HydrophobicContact CB-CG 4.1Å
35	F	98.9	Very high	98.5	Very high	3 Å²	3	43.8 Å²	43.8	1%	0.013	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	143.4	162.4	178.7	-80.6	0	0	0	109.7	F21 I22 S23 P42 R43 Y66 K67	F21-F35 AromaticContact CD1-CD1 3.66Å; F21-F35 HydrophobicContact CD1-CD1 3.66Å; F21-F35 AromaticContact CD1-CE1 3.81Å; F21-F35 HydrophobicContact CD1-CE1 3.81Å; F21-F35 AromaticContact CE1-CD1 3.86Å; F21-F35 HydrophobicContact CE1-CD1 3.86Å; F21-F35 HydrophobicContact CE1-CE1 4.3Å; I22-F35 WeakPolarHBondContact CA-O 3.23Å; S23-F35 PolarHBondContact N-O 3.32Å; S23-F35 PolarHBondContact O-N 2.94Å; F35-P42 HydrophobicContact CE1-CB 4.36Å; F35-P42 HydrophobicContact CE2-CB 3.89Å; F35-P42 HydrophobicContact CZ-CB 3.6Å; F35-R43 VanDerWaalsContact CD2-C 3.43Å; F35-R43 WeakPolarHBondContact CD2-O 3.06Å; F35-Y66 HydrophobicContact CB-CD2 3.76Å; F35-Y66 HydrophobicContact CB-CE2 4.29Å; F35-Y66 HydrophobicContact CB-CG 3.92Å; F35-Y66 HydrophobicContact CD1-CG 4.46Å; F35-Y66 AromaticContact CD2-CD2 3.83Å; F35-Y66 HydrophobicContact CD2-CD2 3.83Å; F35-Y66 HydrophobicContact CD2-CG 4.07Å; F35-Y66 AromaticContact CG-CD2 3.94Å; F35-Y66 HydrophobicContact CG-CD2 3.94Å; F35-Y66 AromaticContact CG-CG 3.91Å; F35-Y66 HydrophobicContact CG-CG 3.91Å; F35-K67 HydrophobicContact CE2-CG 4.22Å; F35-K67 HydrophobicContact CZ-CG 3.94Å
36	D	98.8	Very high	98.5	Very high	13 Å²	13	46.2 Å²	46.2	7%	0.07	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	119.6	176.2	-166.7	-22.9	0	0	0	110.2	R20 R34 D38 A39	R20-D36 IonicContact CZ-OD1 3.72Å; R20-D36 IonicContact CZ-OD2 3.82Å; R20-D36 IonicContact NE-OD1 2.64Å; R20-D36 PolarHBondContact NE-OD1 2.81Å; R20-D36 IonicContact NE-OD2 3.12Å; R20-D36 IonicContact NH2-OD1 3.33Å; R20-D36 PolarHBondContact NH2-OD1 3.22Å; R20-D36 IonicContact NH2-OD2 3.08Å; R20-D36 PolarHBondContact NH2-OD2 3.44Å; R34-D36 IonicContact CZ-OD2 3.71Å; R34-D36 IonicContact NH2-OD2 3.7Å; R34-D36 PolarHBondContact NH2-OD2 2.98Å; D36-D38 PolarHBondContact O-N 2.64Å; D36-D38 PolarHBondContact OD1-N 3.48Å; D36-D38 VanDerWaalsContact OD1-N 3.08Å; D36-A39 HydrophobicContact CB-CB 4.47Å; D36-A39 WeakPolarHBondContact O-CB 3.4Å; D36-A39 PolarHBondContact O-N 2.86Å
37	S	98.6	Very high	98.5	Very high	36 Å²	36	48.7 Å²	48.7	25%	0.252	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-21.6	-179.1	68.4	0	0	0	0	113.5	R20 F21 A39 P42	R20-S37 WeakPolarHBondContact CA-OG 3.46Å; F21-S37 PolarHBondContact N-OG 2.97Å; F21-S37 PolarHBondContact O-N 3.06Å; F21-S37 PolarHBondContact O-OG 3.32Å; S37-A39 VanDerWaalsContact C-N 3.34Å; S37-P42 WeakPolarHBondContact O-CG 3.38Å
38	D	98.3	Very high	98.4	Very high	67 Å²	67	48.9 Å²	48.9	36%	0.358	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-2.9	179	-78.6	6.9	0	0	0	112.9	R13 R20 D36	R13-D38 IonicContact CZ-OD1 2.9Å; R13-D38 IonicContact CZ-OD2 2.71Å; R13-D38 IonicContact NH1-OD1 3.51Å; R13-D38 IonicContact NH1-OD2 2.75Å; R13-D38 PolarHBondContact NH1-OD2 3.07Å; R13-D38 IonicContact NH2-OD1 3.26Å; R13-D38 PolarHBondContact NH2-OD1 2.85Å; R13-D38 IonicContact NH2-OD2 3.27Å; R13-D38 PolarHBondContact NH2-OD2 3.07Å; R20-D38 VanDerWaalsContact CD-OD2 3.25Å; R20-D38 WeakPolarHBondContact CD-OD2 3.39Å; R20-D38 HydrophobicContact CG-CB 4.32Å; R20-D38 IonicContact NE-OD2 2.62Å; D36-D38 PolarHBondContact O-N 2.64Å; D36-D38 PolarHBondContact OD1-N 3.48Å; D36-D38 VanDerWaalsContact OD1-N 3.08Å
39	A	97.9	Very high	98.3	Very high	34 Å²	34	52.5 Å²	52.5	28%	0.281	29%	0.292	S	S	.	.	S	Bend	trans	-62.4	150.3	172.2	0	0	0	0	0	110.7	D36 S37 S41 P42	D36-A39 HydrophobicContact CB-CB 4.47Å; D36-A39 WeakPolarHBondContact O-CB 3.4Å; D36-A39 PolarHBondContact O-N 2.86Å; S37-A39 VanDerWaalsContact C-N 3.34Å; A39-S41 PolarHBondContact O-N 3.45Å; A39-P42 VanDerWaalsContact O-CD 3.24Å; A39-P42 WeakPolarHBondContact O-CD 3.33Å; A39-P42 WeakPolarHBondContact O-CG 3.26Å
40	A	97.8	Very high	98.3	Very high	116 Å²	116	50.4 Å²	50.4	96%	0.959	28%	0.279	S	S	*	.	S	Bend	trans	-59.4	-31.9	179.8	0	0	0	0	0	112.9
41	S	97.7	Very high	98.3	Very high	78 Å²	78	49.7 Å²	49.7	55%	0.545	28%	0.275	S	S	.	.	S	Bend	trans	-136.1	87.4	172.6	-174.3	0	0	0	0	108.8	A39 R43	A39-S41 PolarHBondContact O-N 3.45Å; S41-R43 PolarHBondContact O-N 2.91Å; S41-R43 VanDerWaalsContact O-N 3.15Å
42	P	98.2	Very high	98.2	Very high	32 Å²	32	53 Å²	53	21%	0.208	29%	0.29	C	S	.	.			trans	-61.9	117.6	-174.2	-25.6	36.1	0	0	0	112.1	F35 S37 A39 K67	F35-P42 HydrophobicContact CE1-CB 4.36Å; F35-P42 HydrophobicContact CE2-CB 3.89Å; F35-P42 HydrophobicContact CZ-CB 3.6Å; S37-P42 WeakPolarHBondContact O-CG 3.38Å; A39-P42 VanDerWaalsContact O-CD 3.24Å; A39-P42 WeakPolarHBondContact O-CD 3.33Å; A39-P42 WeakPolarHBondContact O-CG 3.26Å; P42-K67 WeakPolarHBondContact O-CE 3.42Å; P42-K67 PolarHBondContact O-NZ 2.99Å
43	R	98.6	Very high	98.2	Very high	139 Å²	139	58.5 Å²	58.5	53%	0.525	32%	0.316	S	S	.	.			trans	-144.4	158.2	177.7	-67.6	-168.2	172.1	-149.4	-6.3	110	F35 S41 T63	F35-R43 VanDerWaalsContact CD2-C 3.43Å; F35-R43 WeakPolarHBondContact CD2-O 3.06Å; S41-R43 PolarHBondContact O-N 2.91Å; S41-R43 VanDerWaalsContact O-N 3.15Å; R43-T63 HydrophobicContact CB-CG2 4.4Å; R43-T63 HydrophobicContact CG-CG2 4.19Å
44	E	98.6	Very high	98.1	Very high	8 Å²	8	59.2 Å²	59.2	4%	0.037	32%	0.319	C	S	.	.			trans	-69.1	129.4	163.6	-170.9	179.6	-129.8	0	0	108.5	V33 R34 Y58 W59 N62 T63 Y66	V33-E44 HydrophobicContact CB-CG 3.91Å; V33-E44 HydrophobicContact CG1-CG 3.94Å; R34-E44 WeakPolarHBondContact O-CA 3.18Å; E44-Y58 WeakPolarHBondContact OE2-CE1 3.36Å; E44-W59 HydrophobicContact CB-CE3 4.18Å; E44-W59 HydrophobicContact CG-CE3 4.07Å; E44-W59 HydrophobicContact CG-CZ3 3.95Å; E44-N62 HydrophobicContact CB-CB 4.41Å; E44-N62 WeakPolarHBondContact OE2-CB 3.47Å; E44-N62 PolarHBondContact OE2-ND2 3.35Å; E44-T63 PolarHBondContact N-OG1 2.88Å; E44-Y66 HydrophobicContact CB-CD2 4.09Å; E44-Y66 HydrophobicContact CB-CE2 3.78Å; E44-Y66 HydrophobicContact CG-CD2 4.43Å; E44-Y66 HydrophobicContact CG-CE2 3.65Å; E44-Y66 WeakPolarHBondContact OE1-CE2 3.08Å; E44-Y66 PolarHBondContact OE1-OH 3.05Å
45	E	98.6	Very high	98.1	Very high	77 Å²	77	56.6 Å²	56.6	36%	0.36	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	137.8	-176.8	-63.3	176.6	155.8	0	0	110.5	V33 R34 R47	V33-E45 WeakPolarHBondContact CA-O 3.39Å; R34-E45 PolarHBondContact N-O 2.9Å; R34-E45 PolarHBondContact O-N 3.24Å; E45-R47 IonicContact OE2-CZ 3.22Å; E45-R47 IonicContact OE2-NH2 3.5Å; E45-R47 PolarHBondContact OE2-NH2 2.84Å
46	P	98.6	Very high	98	Very high	52 Å²	52	60.4 Å²	60.4	34%	0.338	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	143.4	174.6	28.3	-34.4	0	0	0	111.2	I51 E52 W59	P46-I51 HydrophobicContact CB-CG2 3.74Å; P46-E52 HydrophobicContact CB-CG 3.82Å; P46-E52 HydrophobicContact CG-CG 4.15Å; P46-W59 HydrophobicContact CB-CH2 3.68Å; P46-W59 HydrophobicContact CB-CZ2 4.15Å; P46-W59 HydrophobicContact CB-CZ3 4.45Å; P46-W59 HydrophobicContact CG-CH2 4.29Å
47	R	98.3	Very high	98	Very high	119 Å²	119	66.6 Å²	66.6	45%	0.449	37%	0.372	S	S	.	.			trans	-128.4	-1.5	174.7	-59.6	-64.7	172.6	-177.3	-2.2	113.3	Q31 F32 R34 E45	Q31-R47 HydrophobicContact CG-CB 4.2Å; Q31-R47 HydrophobicContact CG-CG 4.46Å; F32-R47 PolarHBondContact O-N 2.86Å; R34-R47 HydrophobicContact CB-CG 4.1Å; E45-R47 IonicContact OE2-CZ 3.22Å; E45-R47 IonicContact OE2-NH2 3.5Å; E45-R47 PolarHBondContact OE2-NH2 2.84Å
48	A	97.4	Very high	98	Very high	5 Å²	5	65.8 Å²	65.8	4%	0.041	36%	0.363	C	S	.	.	S	Bend	trans	-136.4	144.4	172.7	0	0	0	0	0	111	F32 W50 I51	F32-A48 HydrophobicContact CB-CB 4.03Å; A48-W50 VanDerWaalsContact C-N 3.28Å; A48-W50 HydrophobicContact CB-CD2 4.2Å; A48-W50 HydrophobicContact CB-CG 4.4Å; A48-W50 HydrophobicContact CB-CZ2 4.03Å; A48-W50 PolarHBondContact O-N 3.29Å; A48-I51 WeakPolarHBondContact O-CG2 3.4Å; A48-I51 PolarHBondContact O-N 2.88Å
49	P	97.5	Very high	98	Very high	105 Å²	105	64.5 Å²	64.5	68%	0.682	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-59.9	-34.5	-176.8	-26.7	35	0	0	0	114.3	I51 E52	P49-I51 VanDerWaalsContact C-N 3.25Å; P49-I51 PolarHBondContact O-N 2.83Å; P49-E52 WeakPolarHBondContact O-CB 3.4Å; P49-E52 PolarHBondContact O-N 2.81Å
50	W	97.4	Very high	98	Very high	20 Å²	20	66.7 Å²	66.7	8%	0.076	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-72.2	-15	-175.4	52.5	-105.5	0	0	0	114	V27 F32 A48 Q53 Y170 N173 L178	V27-W50 HydrophobicContact CB-CH2 4.48Å; V27-W50 HydrophobicContact CB-CZ2 4.49Å; V27-W50 HydrophobicContact CG2-CH2 3.9Å; V27-W50 HydrophobicContact CG2-CZ2 4.39Å; F32-W50 HydrophobicContact CB-CH2 3.15Å; F32-W50 HydrophobicContact CB-CZ2 3.33Å; F32-W50 HydrophobicContact CB-CZ3 3.98Å; F32-W50 AromaticContact CD1-CH2 3.97Å; F32-W50 HydrophobicContact CD1-CH2 3.97Å; F32-W50 AromaticContact CD2-CH2 3.72Å; F32-W50 HydrophobicContact CD2-CH2 3.72Å; F32-W50 HydrophobicContact CD2-CZ3 4.01Å; F32-W50 AromaticContact CG-CH2 3.37Å; F32-W50 HydrophobicContact CG-CH2 3.37Å; F32-W50 HydrophobicContact CG-CZ2 4.03Å; F32-W50 HydrophobicContact CG-CZ3 4.12Å; A48-W50 VanDerWaalsContact C-N 3.28Å; A48-W50 HydrophobicContact CB-CD2 4.2Å; A48-W50 HydrophobicContact CB-CG 4.4Å; A48-W50 HydrophobicContact CB-CZ2 4.03Å; A48-W50 PolarHBondContact O-N 3.29Å; W50-Q53 WeakPolarHBondContact O-CG 3.2Å; W50-Q53 PolarHBondContact O-NE2 3.03Å; W50-Y170 HydrophobicContact CE3-CD1 4.26Å; W50-Y170 HydrophobicContact CE3-CG 4.43Å; W50-Y170 HydrophobicContact CH2-CD2 4.4Å; W50-Y170 HydrophobicContact CH2-CG 4.09Å; W50-Y170 AromaticContact CZ3-CD1 3.63Å; W50-Y170 HydrophobicContact CZ3-CD1 3.63Å; W50-Y170 HydrophobicContact CZ3-CD2 4.18Å; W50-Y170 HydrophobicContact CZ3-CE1 4.35Å; W50-Y170 AromaticContact CZ3-CG 3.54Å; W50-Y170 HydrophobicContact CZ3-CG 3.54Å; W50-N173 HydrophobicContact CB-CB 4.5Å; W50-L178 HydrophobicContact CD2-CD1 4.43Å; W50-L178 HydrophobicContact CH2-CD1 4.44Å; W50-L178 HydrophobicContact CZ2-CD1 3.87Å; W50-L178 HydrophobicContact CZ2-CD2 4.23Å
51	I	98.2	Very high	98.1	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-88.3	-19.9	174.1	-163.2	71.8	0	0	0	111.8	F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170	F32-I51 HydrophobicContact CD2-CB 4.44Å; F32-I51 HydrophobicContact CD2-CD1 4.04Å; F32-I51 HydrophobicContact CD2-CG1 4.08Å; F32-I51 HydrophobicContact CE2-CD1 4.35Å; F32-I51 VanDerWaalsContact O-CG2 3.31Å; F32-I51 WeakPolarHBondContact O-CG2 3.38Å; V33-I51 HydrophobicContact CG1-CG1 4.34Å; P46-I51 HydrophobicContact CB-CG2 3.74Å; A48-I51 WeakPolarHBondContact O-CG2 3.4Å; A48-I51 PolarHBondContact O-N 2.88Å; P49-I51 VanDerWaalsContact C-N 3.25Å; P49-I51 PolarHBondContact O-N 2.83Å; I51-Q53 PolarHBondContact O-N 3.48Å; I51-Q53 VanDerWaalsContact O-N 3.09Å; I51-E54 HydrophobicContact CD1-CG 3.69Å; I51-E54 HydrophobicContact CG1-CG 4.2Å; I51-E54 WeakPolarHBondContact O-CB 3.48Å; I51-E54 WeakPolarHBondContact O-CG 3.43Å; I51-E54 PolarHBondContact O-N 2.87Å; I51-Y58 HydrophobicContact CD1-CE1 4.25Å; I51-Y58 HydrophobicContact CG1-CE1 4.25Å; I51-W59 HydrophobicContact CB-CH2 4.38Å; I51-W59 HydrophobicContact CG1-CH2 3.7Å; I51-W59 HydrophobicContact CG1-CZ2 4.14Å; I51-W59 HydrophobicContact CG2-CH2 3.94Å; I51-W59 WeakPolarHBondContact O-CZ2 3.1Å; I51-Y170 HydrophobicContact CD1-CD1 3.89Å; I51-Y170 HydrophobicContact CD1-CE1 3.26Å
52	E	97.5	Very high	98.1	Very high	125 Å²	125	65 Å²	65	58%	0.584	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-20.4	-176.8	-65.1	178.4	-170.5	0	0	113.6	P46 P49 E54	P46-E52 HydrophobicContact CB-CG 3.82Å; P46-E52 HydrophobicContact CG-CG 4.15Å; P49-E52 WeakPolarHBondContact O-CB 3.4Å; P49-E52 PolarHBondContact O-N 2.81Å; E52-E54 VanDerWaalsContact C-N 3.26Å; E52-E54 PolarHBondContact O-N 3.48Å
53	Q	97	Very high	98.1	Very high	115 Å²	115	63.7 Å²	63.7	54%	0.537	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-12.6	176.2	70.9	-173.3	-38.9	0	0	114.1	W50 I51 N173	W50-Q53 WeakPolarHBondContact O-CG 3.2Å; W50-Q53 PolarHBondContact O-NE2 3.03Å; I51-Q53 PolarHBondContact O-N 3.48Å; I51-Q53 VanDerWaalsContact O-N 3.09Å; Q53-N173 PolarHBondContact NE2-ND2 2.83Å; Q53-N173 VanDerWaalsContact NE2-ND2 3.15Å
54	E	98.1	Very high	98.1	Very high	15 Å²	15	62.8 Å²	62.8	7%	0.07	31%	0.313	C	S	.	.	S	Bend	trans	-66.1	139.2	177.2	-63.3	-58.9	161.1	0	0	110.9	I51 E52 Y58 W59 R169	I51-E54 HydrophobicContact CD1-CG 3.69Å; I51-E54 HydrophobicContact CG1-CG 4.2Å; I51-E54 WeakPolarHBondContact O-CB 3.48Å; I51-E54 WeakPolarHBondContact O-CG 3.43Å; I51-E54 PolarHBondContact O-N 2.87Å; E52-E54 VanDerWaalsContact C-N 3.26Å; E52-E54 PolarHBondContact O-N 3.48Å; E54-Y58 HydrophobicContact CB-CD1 3.72Å; E54-Y58 HydrophobicContact CB-CD2 4.41Å; E54-Y58 HydrophobicContact CB-CE1 4.39Å; E54-Y58 HydrophobicContact CB-CG 3.75Å; E54-Y58 HydrophobicContact CG-CD1 4.2Å; E54-Y58 HydrophobicContact CG-CD2 4.35Å; E54-Y58 HydrophobicContact CG-CE1 4.46Å; E54-Y58 HydrophobicContact CG-CG 4.16Å; E54-W59 HydrophobicContact CB-CZ2 4.43Å; E54-W59 PolarHBondContact O-NE1 2.87Å; E54-R169 IonicContact OE1-CZ 3.15Å; E54-R169 IonicContact OE1-NE 3.84Å; E54-R169 PolarHBondContact OE1-NE 2.88Å; E54-R169 IonicContact OE1-NH2 2.62Å; E54-R169 PolarHBondContact OE1-NH2 2.99Å; E54-R169 VanDerWaalsContact OE1-NH2 3.15Å; E54-R169 IonicContact OE2-CZ 2.71Å; E54-R169 IonicContact OE2-NE 3.25Å; E54-R169 IonicContact OE2-NH2 3.46Å; E54-R169 PolarHBondContact OE2-NH2 3.15Å
55	G	97.8	Very high	98.1	Very high	29 Å²	29	65.8 Å²	65.8	30%	0.299	33%	0.328	S	S	.	.			trans	-68.8	166.4	-175.8	0	0	0	0	0	113.7	E57 Y58	G55-E57 PolarHBondContact O-N 2.87Å; G55-E57 VanDerWaalsContact O-N 3.14Å; G55-Y58 WeakPolarHBondContact O-CB 3.44Å; G55-Y58 PolarHBondContact O-N 3.25Å
56	P	97.9	Very high	98.1	Very high	83 Å²	83	62.3 Å²	62.3	54%	0.539	31%	0.312	S	S	.	.	H	α-helix	trans	-56.6	-31.2	180	23.7	-33.1	0	0	0	113.2	Y58 W59 D60	P56-Y58 VanDerWaalsContact C-N 3.29Å; P56-Y58 PolarHBondContact O-N 3.4Å; P56-W59 PolarHBondContact O-N 3.07Å; P56-D60 WeakPolarHBondContact O-CB 3.39Å; P56-D60 PolarHBondContact O-N 3.48Å
57	E	98.2	Very high	98.1	Very high	143 Å²	143	63.8 Å²	63.8	67%	0.668	31%	0.313	S	S	*	.	H	α-helix	trans	-62.8	-34.4	178.6	-59.9	78.2	-171.4	0	0	112.6	G55 R61	G55-E57 PolarHBondContact O-N 2.87Å; G55-E57 VanDerWaalsContact O-N 3.14Å; E57-R61 WeakPolarHBondContact O-CB 3.5Å; E57-R61 PolarHBondContact O-N 3.28Å
58	Y	98.4	Very high	98.1	Very high	19 Å²	19	60.9 Å²	60.9	8%	0.075	31%	0.314	C	S	.	.	H	α-helix	trans	-64	-53.2	175.4	172.8	-89.9	0	0	0	110.2	E44 I51 E54 G55 P56 D60 R61 N62 W166 Y170	E44-Y58 WeakPolarHBondContact OE2-CE1 3.36Å; I51-Y58 HydrophobicContact CD1-CE1 4.25Å; I51-Y58 HydrophobicContact CG1-CE1 4.25Å; E54-Y58 HydrophobicContact CB-CD1 3.72Å; E54-Y58 HydrophobicContact CB-CD2 4.41Å; E54-Y58 HydrophobicContact CB-CE1 4.39Å; E54-Y58 HydrophobicContact CB-CG 3.75Å; E54-Y58 HydrophobicContact CG-CD1 4.2Å; E54-Y58 HydrophobicContact CG-CD2 4.35Å; E54-Y58 HydrophobicContact CG-CE1 4.46Å; E54-Y58 HydrophobicContact CG-CG 4.16Å; G55-Y58 WeakPolarHBondContact O-CB 3.44Å; G55-Y58 PolarHBondContact O-N 3.25Å; P56-Y58 VanDerWaalsContact C-N 3.29Å; P56-Y58 PolarHBondContact O-N 3.4Å; Y58-D60 PolarHBondContact O-N 2.91Å; Y58-R61 PolarHBondContact O-N 3.31Å; Y58-N62 VanDerWaalsContact CE1-ND2 3.31Å; Y58-N62 WeakPolarHBondContact CE1-ND2 3.49Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.21Å; Y58-N62 PolarHBondContact O-N 3.27Å; Y58-N62 PolarHBondContact O-ND2 2.92Å; Y58-N62 PolarHBondContact OH-ND2 3.11Å; Y58-W166 AromaticContact CD2-CH2 3.55Å; Y58-W166 HydrophobicContact CD2-CH2 3.55Å; Y58-W166 HydrophobicContact CD2-CZ2 4.08Å; Y58-W166 AromaticContact CD2-CZ3 3.97Å; Y58-W166 HydrophobicContact CD2-CZ3 3.97Å; Y58-W166 HydrophobicContact CE2-CE3 4.38Å; Y58-W166 AromaticContact CE2-CH2 3.86Å; Y58-W166 HydrophobicContact CE2-CH2 3.86Å; Y58-W166 HydrophobicContact CE2-CZ2 4.3Å; Y58-W166 AromaticContact CE2-CZ3 3.89Å; Y58-W166 HydrophobicContact CE2-CZ3 3.89Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.25Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.43Å; Y58-Y170 PolarHBondContact OH-OH 2.93Å
59	W	98.6	Very high	98.2	Very high	40 Å²	40	62.2 Å²	62.2	15%	0.152	32%	0.319	C	S	.	.	H	α-helix	trans	-64.1	-41.7	-177.8	-59.5	111	0	0	0	112.5	V33 E44 P46 I51 E54 P56 T63	V33-W59 HydrophobicContact CG1-CH2 4.28Å; V33-W59 HydrophobicContact CG1-CZ3 3.94Å; E44-W59 HydrophobicContact CB-CE3 4.18Å; E44-W59 HydrophobicContact CG-CE3 4.07Å; E44-W59 HydrophobicContact CG-CZ3 3.95Å; P46-W59 HydrophobicContact CB-CH2 3.68Å; P46-W59 HydrophobicContact CB-CZ2 4.15Å; P46-W59 HydrophobicContact CB-CZ3 4.45Å; P46-W59 HydrophobicContact CG-CH2 4.29Å; I51-W59 HydrophobicContact CB-CH2 4.38Å; I51-W59 HydrophobicContact CG1-CH2 3.7Å; I51-W59 HydrophobicContact CG1-CZ2 4.14Å; I51-W59 HydrophobicContact CG2-CH2 3.94Å; I51-W59 WeakPolarHBondContact O-CZ2 3.1Å; E54-W59 HydrophobicContact CB-CZ2 4.43Å; E54-W59 PolarHBondContact O-NE1 2.87Å; P56-W59 PolarHBondContact O-N 3.07Å; W59-T63 WeakPolarHBondContact O-CB 3.05Å; W59-T63 PolarHBondContact O-N 2.6Å; W59-T63 PolarHBondContact O-OG1 3.21Å
60	D	98.6	Very high	98.3	Very high	81 Å²	81	58 Å²	58	43%	0.433	29%	0.293	S	S	.	.	H	α-helix	trans	-67.4	-45.7	178.3	-76.9	-20.6	0	0	0	110.9	P56 Y58 T63 Q64	P56-D60 WeakPolarHBondContact O-CB 3.39Å; P56-D60 PolarHBondContact O-N 3.48Å; Y58-D60 PolarHBondContact O-N 2.91Å; D60-T63 PolarHBondContact O-N 3.38Å; D60-Q64 WeakPolarHBondContact O-CG 3.21Å; D60-Q64 PolarHBondContact O-N 2.73Å; D60-Q64 VanDerWaalsContact O-N 3.1Å
61	R	98.4	Very high	98.3	Very high	135 Å²	135	61.8 Å²	61.8	51%	0.509	31%	0.312	S	S	.	.	H	α-helix	trans	-58.2	-52.5	177.2	178.1	179.2	172.7	-169.2	-8.4	111.2	E57 Y58 T63 Q64 I65 E162	E57-R61 WeakPolarHBondContact O-CB 3.5Å; E57-R61 PolarHBondContact O-N 3.28Å; Y58-R61 PolarHBondContact O-N 3.31Å; R61-T63 PolarHBondContact O-N 3.16Å; R61-Q64 PolarHBondContact O-N 3.14Å; R61-I65 HydrophobicContact CG-CD1 4.05Å; R61-I65 WeakPolarHBondContact O-CG1 3.13Å; R61-I65 PolarHBondContact O-N 2.89Å; R61-E162 IonicContact NH2-OE1 2.71Å; R61-E162 IonicContact NH2-OE2 3.43Å; R61-E162 PolarHBondContact NH2-OE2 3.23Å; R61-E162 VanDerWaalsContact NH2-OE2 3.14Å
62	N	98.4	Very high	98.3	Very high	22 Å²	22	65.1 Å²	65.1	12%	0.118	33%	0.332	C	S	.	.	H	α-helix	trans	-68.5	-36.4	-177	-70.4	-21.9	0	0	0	112.4	E44 Y58 Q64 I65 Y66	E44-N62 HydrophobicContact CB-CB 4.41Å; E44-N62 WeakPolarHBondContact OE2-CB 3.47Å; E44-N62 PolarHBondContact OE2-ND2 3.35Å; Y58-N62 VanDerWaalsContact CE1-ND2 3.31Å; Y58-N62 WeakPolarHBondContact CE1-ND2 3.49Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.21Å; Y58-N62 PolarHBondContact O-N 3.27Å; Y58-N62 PolarHBondContact O-ND2 2.92Å; Y58-N62 PolarHBondContact OH-ND2 3.11Å; N62-Q64 VanDerWaalsContact C-N 3.26Å; N62-Q64 PolarHBondContact O-N 2.97Å; N62-I65 WeakPolarHBondContact O-CB 3.21Å; N62-I65 PolarHBondContact O-N 3.48Å; N62-I65 VanDerWaalsContact O-N 3.1Å; N62-Y66 HydrophobicContact CB-CE2 4Å; N62-Y66 WeakPolarHBondContact O-CD2 3.22Å; N62-Y66 PolarHBondContact O-N 3.22Å
63	T	98.7	Very high	98.4	Very high	6 Å²	6	59.2 Å²	59.2	4%	0.037	31%	0.305	C	S	.	.	H	α-helix	trans	-56.5	-41.9	171.9	-68.1	0	0	0	0	111.5	R43 E44 W59 D60 R61 K67	R43-T63 HydrophobicContact CB-CG2 4.4Å; R43-T63 HydrophobicContact CG-CG2 4.19Å; E44-T63 PolarHBondContact N-OG1 2.88Å; W59-T63 WeakPolarHBondContact O-CB 3.05Å; W59-T63 PolarHBondContact O-N 2.6Å; W59-T63 PolarHBondContact O-OG1 3.21Å; D60-T63 PolarHBondContact O-N 3.38Å; R61-T63 PolarHBondContact O-N 3.16Å; T63-K67 HydrophobicContact CG2-CD 4.24Å; T63-K67 WeakPolarHBondContact O-CG 3.35Å; T63-K67 PolarHBondContact O-N 3.22Å; T63-K67 VanDerWaalsContact O-N 3.11Å
64	Q	98.6	Very high	98.4	Very high	120 Å²	120	56.6 Å²	56.6	56%	0.561	29%	0.29	S	S	*	.	H	α-helix	trans	-68.1	-39.5	175.7	-63.6	-55.8	-31.6	0	0	112.1	D60 R61 N62 Y66 K67 A68	D60-Q64 WeakPolarHBondContact O-CG 3.21Å; D60-Q64 PolarHBondContact O-N 2.73Å; D60-Q64 VanDerWaalsContact O-N 3.1Å; R61-Q64 PolarHBondContact O-N 3.14Å; N62-Q64 VanDerWaalsContact C-N 3.26Å; N62-Q64 PolarHBondContact O-N 2.97Å; Q64-Y66 PolarHBondContact O-N 2.83Å; Q64-K67 PolarHBondContact O-N 3.05Å; Q64-A68 WeakPolarHBondContact O-CB 3.49Å; Q64-A68 PolarHBondContact O-N 2.87Å
65	I	98.4	Very high	98.4	Very high	70 Å²	70	61.5 Å²	61.5	36%	0.359	31%	0.313	S	S	.	.	H	α-helix	trans	-57.4	-50.1	175.3	-69.5	168.8	0	0	0	110.6	R61 N62 K67 A68 Q69	R61-I65 HydrophobicContact CG-CD1 4.05Å; R61-I65 WeakPolarHBondContact O-CG1 3.13Å; R61-I65 PolarHBondContact O-N 2.89Å; N62-I65 WeakPolarHBondContact O-CB 3.21Å; N62-I65 PolarHBondContact O-N 3.48Å; N62-I65 VanDerWaalsContact O-N 3.1Å; I65-K67 VanDerWaalsContact C-N 3.34Å; I65-K67 PolarHBondContact O-N 3.15Å; I65-A68 PolarHBondContact O-N 3.33Å; I65-Q69 WeakPolarHBondContact O-CB 3.22Å; I65-Q69 PolarHBondContact O-N 3.16Å
66	Y	98.7	Very high	98.4	Very high	4 Å²	4	61.9 Å²	61.9	2%	0.016	31%	0.311	C	S	.	.	H	α-helix	trans	-66.4	-34.5	179.6	-61.8	-54.9	0	0	0	113.1	Y6 Y8 F21 S23 F35 E44 N62 Q64 Q69 A70	Y6-Y66 WeakPolarHBondContact CE1-OH 3.45Å; Y8-Y66 HydrophobicContact CE1-CD1 4.22Å; Y8-Y66 AromaticContact CE1-CE1 3.82Å; Y8-Y66 HydrophobicContact CE1-CE1 3.82Å; Y8-Y66 AromaticContact CZ-CE1 3.92Å; Y8-Y66 WeakPolarHBondContact OH-CE1 3.5Å; F21-Y66 HydrophobicContact CE1-CD1 4.15Å; F21-Y66 HydrophobicContact CE1-CG 4.43Å; F21-Y66 HydrophobicContact CZ-CD1 4.34Å; S23-Y66 WeakPolarHBondContact OG-CE1 3.4Å; F35-Y66 HydrophobicContact CB-CD2 3.76Å; F35-Y66 HydrophobicContact CB-CE2 4.29Å; F35-Y66 HydrophobicContact CB-CG 3.92Å; F35-Y66 HydrophobicContact CD1-CG 4.46Å; F35-Y66 AromaticContact CD2-CD2 3.83Å; F35-Y66 HydrophobicContact CD2-CD2 3.83Å; F35-Y66 HydrophobicContact CD2-CG 4.07Å; F35-Y66 AromaticContact CG-CD2 3.94Å; F35-Y66 HydrophobicContact CG-CD2 3.94Å; F35-Y66 AromaticContact CG-CG 3.91Å; F35-Y66 HydrophobicContact CG-CG 3.91Å; E44-Y66 HydrophobicContact CB-CD2 4.09Å; E44-Y66 HydrophobicContact CB-CE2 3.78Å; E44-Y66 HydrophobicContact CG-CD2 4.43Å; E44-Y66 HydrophobicContact CG-CE2 3.65Å; E44-Y66 WeakPolarHBondContact OE1-CE2 3.08Å; E44-Y66 PolarHBondContact OE1-OH 3.05Å; N62-Y66 HydrophobicContact CB-CE2 4Å; N62-Y66 WeakPolarHBondContact O-CD2 3.22Å; N62-Y66 PolarHBondContact O-N 3.22Å; Q64-Y66 PolarHBondContact O-N 2.83Å; Y66-Q69 PolarHBondContact O-N 3.25Å; Y66-A70 WeakPolarHBondContact O-CB 3.4Å; Y66-A70 PolarHBondContact O-N 3.42Å
67	K	98.6	Very high	98.5	Very high	84 Å²	84	58.4 Å²	58.4	37%	0.365	29%	0.288	S	S	.	.	H	α-helix	trans	-64.7	-41.5	173.7	-75.7	177.2	179.6	178.1	0	112	F35 P42 T63 Q64 I65 Q71	F35-K67 HydrophobicContact CE2-CG 4.22Å; F35-K67 HydrophobicContact CZ-CG 3.94Å; P42-K67 WeakPolarHBondContact O-CE 3.42Å; P42-K67 PolarHBondContact O-NZ 2.99Å; T63-K67 HydrophobicContact CG2-CD 4.24Å; T63-K67 WeakPolarHBondContact O-CG 3.35Å; T63-K67 PolarHBondContact O-N 3.22Å; T63-K67 VanDerWaalsContact O-N 3.11Å; Q64-K67 PolarHBondContact O-N 3.05Å; I65-K67 VanDerWaalsContact C-N 3.34Å; I65-K67 PolarHBondContact O-N 3.15Å; K67-Q71 PolarHBondContact O-N 3.15Å
68	A	98.6	Very high	98.5	Very high	58 Å²	58	57.4 Å²	57.4	48%	0.479	28%	0.278	S	S	.	.	H	α-helix	trans	-66.9	-41.1	175	0	0	0	0	0	111.6	Q64 I65 A70 Q71 T72	Q64-A68 WeakPolarHBondContact O-CB 3.49Å; Q64-A68 PolarHBondContact O-N 2.87Å; I65-A68 PolarHBondContact O-N 3.33Å; A68-A70 PolarHBondContact O-N 2.98Å; A68-Q71 PolarHBondContact O-N 3.34Å; A68-T72 PolarHBondContact O-N 3.46Å; A68-T72 PolarHBondContact O-OG1 3.12Å
69	Q	98.6	Very high	98.4	Very high	32 Å²	32	60.3 Å²	60.3	15%	0.15	30%	0.295	C	S	.	.	H	α-helix	trans	-62.6	-42.2	176	-170.8	64	54.5	0	0	111.6	Y8 F21 I65 Y66 Q71 T72 D73	Y8-Q69 HydrophobicContact CD2-CG 3.8Å; Y8-Q69 HydrophobicContact CE2-CG 3.68Å; F21-Q69 HydrophobicContact CE2-CB 4.19Å; F21-Q69 HydrophobicContact CE2-CG 3.65Å; F21-Q69 HydrophobicContact CZ-CB 4.06Å; F21-Q69 HydrophobicContact CZ-CG 3.83Å; I65-Q69 WeakPolarHBondContact O-CB 3.22Å; I65-Q69 PolarHBondContact O-N 3.16Å; Y66-Q69 PolarHBondContact O-N 3.25Å; Q69-Q71 VanDerWaalsContact C-N 3.26Å; Q69-Q71 PolarHBondContact O-N 2.86Å; Q69-T72 CarbonylContact O-C 3.52Å; Q69-T72 WeakPolarHBondContact O-CA 3.04Å; Q69-T72 WeakPolarHBondContact O-CB 3.39Å; Q69-T72 PolarHBondContact O-N 2.66Å; Q69-D73 PolarHBondContact NE2-OD1 3.33Å; Q69-D73 PolarHBondContact O-N 2.87Å
70	A	98.6	Very high	98.4	Very high	16 Å²	16	58.6 Å²	58.6	13%	0.132	29%	0.289	C	S	.	.	H	α-helix	trans	-58.5	-36.3	176.3	0	0	0	0	0	112.8	F21 Y66 A68 R74	F21-A70 HydrophobicContact CB-CB 3.61Å; F21-A70 HydrophobicContact CD1-CB 4.04Å; F21-A70 HydrophobicContact CD2-CB 4.19Å; F21-A70 HydrophobicContact CG-CB 3.68Å; Y66-A70 WeakPolarHBondContact O-CB 3.4Å; Y66-A70 PolarHBondContact O-N 3.42Å; A68-A70 PolarHBondContact O-N 2.98Å; A70-R74 WeakPolarHBondContact O-CB 3.43Å; A70-R74 PolarHBondContact O-N 2.85Å; A70-R74 VanDerWaalsContact O-N 3.13Å
71	Q	98.4	Very high	98.4	Very high	101 Å²	101	57.9 Å²	57.9	47%	0.472	28%	0.28	S	S	.	.	H	α-helix	trans	-71.4	-40.2	173.2	-61.9	-50.8	-50	0	0	112	K67 A68 Q69 D73 R74 E75	K67-Q71 PolarHBondContact O-N 3.15Å; A68-Q71 PolarHBondContact O-N 3.34Å; Q69-Q71 VanDerWaalsContact C-N 3.26Å; Q69-Q71 PolarHBondContact O-N 2.86Å; Q71-D73 PolarHBondContact O-N 3.2Å; Q71-R74 WeakPolarHBondContact O-CB 3.43Å; Q71-R74 PolarHBondContact O-N 2.98Å; Q71-E75 PolarHBondContact O-N 3.27Å
72	T	98.4	Very high	98.4	Very high	69 Å²	69	53.5 Å²	53.5	42%	0.423	28%	0.277	S	S	.	.	H	α-helix	trans	-61.6	-43.2	176.6	-56.5	0	0	0	0	111.5	A68 Q69 E75 S76	A68-T72 PolarHBondContact O-N 3.46Å; A68-T72 PolarHBondContact O-OG1 3.12Å; Q69-T72 CarbonylContact O-C 3.52Å; Q69-T72 WeakPolarHBondContact O-CA 3.04Å; Q69-T72 WeakPolarHBondContact O-CB 3.39Å; Q69-T72 PolarHBondContact O-N 2.66Å; T72-E75 PolarHBondContact O-N 2.77Å; T72-S76 WeakPolarHBondContact O-CB 3.46Å; T72-S76 PolarHBondContact O-N 2.9Å; T72-S76 PolarHBondContact O-OG 2.7Å
73	D	98.4	Very high	98.4	Very high	1 Å²	1	55 Å²	55	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-67.4	-37	177.5	-80.1	19.7	0	0	0	111.7	S10 Q69 Q71 E75 S76 L77 L94	S10-D73 WeakPolarHBondContact CB-OD2 3.36Å; S10-D73 WeakPolarHBondContact OG-CB 3.08Å; S10-D73 PolarHBondContact OG-OD2 3.45Å; Q69-D73 PolarHBondContact NE2-OD1 3.33Å; Q69-D73 PolarHBondContact O-N 2.87Å; Q71-D73 PolarHBondContact O-N 3.2Å; D73-E75 VanDerWaalsContact C-N 3.35Å; D73-E75 PolarHBondContact O-N 2.82Å; D73-S76 PolarHBondContact O-N 3.19Å; D73-L77 WeakPolarHBondContact O-CB 3.25Å; D73-L77 WeakPolarHBondContact O-CG 3.12Å; D73-L77 PolarHBondContact O-N 2.9Å; D73-L94 HydrophobicContact CB-CD2 4.19Å
74	R	98.2	Very high	98.3	Very high	61 Å²	61	58 Å²	58	23%	0.23	29%	0.292	C	S	.	.	H	α-helix	trans	-60.9	-43.9	174.1	176.3	-172	-178.6	-162.5	1.1	111.6	E18 P19 A70 Q71 R78	E18-R74 VanDerWaalsContact CD-NE 3.27Å; E18-R74 IonicContact OE1-CZ 3.98Å; E18-R74 IonicContact OE1-NE 4Å; E18-R74 IonicContact OE1-NH2 2.85Å; E18-R74 PolarHBondContact OE1-NH2 2.85Å; E18-R74 WeakPolarHBondContact OE2-CD 3.38Å; E18-R74 IonicContact OE2-CZ 2.77Å; E18-R74 IonicContact OE2-NE 3.14Å; E18-R74 PolarHBondContact OE2-NE 2.82Å; E18-R74 IonicContact OE2-NH2 3.8Å; E18-R74 PolarHBondContact OE2-NH2 3.02Å; E18-R74 VanDerWaalsContact OE2-NH2 3.12Å; P19-R74 HydrophobicContact CG-CB 4.43Å; P19-R74 HydrophobicContact CG-CG 4.23Å; A70-R74 WeakPolarHBondContact O-CB 3.43Å; A70-R74 PolarHBondContact O-N 2.85Å; A70-R74 VanDerWaalsContact O-N 3.13Å; Q71-R74 WeakPolarHBondContact O-CB 3.43Å; Q71-R74 PolarHBondContact O-N 2.98Å; R74-R78 VanDerWaalsContact CZ-NH2 3.34Å; R74-R78 VanDerWaalsContact NE-NH2 3.16Å; R74-R78 WeakPolarHBondContact O-CG 3.43Å; R74-R78 PolarHBondContact O-N 3.27Å
75	E	98.3	Very high	98.3	Very high	118 Å²	118	59.5 Å²	59.5	55%	0.551	30%	0.304	S	S	*	.	H	α-helix	trans	-66.7	-41.3	174	-70.4	-177.9	-176.9	0	0	111.6	Q71 T72 D73 L77 R78 N79	Q71-E75 PolarHBondContact O-N 3.27Å; T72-E75 PolarHBondContact O-N 2.77Å; D73-E75 VanDerWaalsContact C-N 3.35Å; D73-E75 PolarHBondContact O-N 2.82Å; E75-L77 PolarHBondContact O-N 2.81Å; E75-R78 WeakPolarHBondContact O-CB 3.24Å; E75-R78 PolarHBondContact O-N 2.97Å; E75-R78 VanDerWaalsContact O-N 3.15Å; E75-N79 PolarHBondContact O-N 3.41Å; E75-N79 PolarHBondContact O-ND2 3.45Å
76	S	98.4	Very high	98.2	Very high	37 Å²	37	59 Å²	59	26%	0.259	30%	0.3	S	S	.	.	H	α-helix	trans	-60.5	-44.5	177.3	-61.3	0	0	0	0	111.7	T72 D73 R78 N79 L80	T72-S76 WeakPolarHBondContact O-CB 3.46Å; T72-S76 PolarHBondContact O-N 2.9Å; T72-S76 PolarHBondContact O-OG 2.7Å; D73-S76 PolarHBondContact O-N 3.19Å; S76-R78 VanDerWaalsContact C-N 3.29Å; S76-R78 PolarHBondContact O-N 3.37Å; S76-N79 PolarHBondContact O-N 3.02Å; S76-N79 VanDerWaalsContact O-N 3.16Å; S76-L80 WeakPolarHBondContact O-CB 3.38Å; S76-L80 WeakPolarHBondContact O-CD1 3.38Å; S76-L80 WeakPolarHBondContact O-CG 3.26Å; S76-L80 PolarHBondContact O-N 3.06Å
77	L	98.6	Very high	98.1	Very high	9 Å²	9	62.7 Å²	62.7	5%	0.047	33%	0.326	C	S	.	.	H	α-helix	trans	-59.1	-37.4	174.8	-77.4	168.4	0	0	0	112.6	P19 D73 E75 R81 H92 L94 Y117	P19-L77 HydrophobicContact CB-CD1 3.67Å; P19-L77 HydrophobicContact CG-CD1 3.8Å; D73-L77 WeakPolarHBondContact O-CB 3.25Å; D73-L77 WeakPolarHBondContact O-CG 3.12Å; D73-L77 PolarHBondContact O-N 2.9Å; E75-L77 PolarHBondContact O-N 2.81Å; L77-R81 WeakPolarHBondContact O-CB 3.33Å; L77-R81 PolarHBondContact O-N 2.92Å; L77-R81 VanDerWaalsContact O-N 3.15Å; L77-H92 HydrophobicContact CD2-CB 4.29Å; L77-L94 HydrophobicContact CD2-CB 3.76Å; L77-L94 HydrophobicContact CG-CB 4.16Å; L77-Y117 HydrophobicContact CD2-CE2 3.98Å
78	R	97.9	Very high	97.9	Very high	122 Å²	122	65 Å²	65	46%	0.46	34%	0.338	S	S	.	.	H	α-helix	trans	-67.8	-43.6	174.7	-69.4	173.8	-178.9	166.7	-0.3	111.8	R74 E75 S76 G82	R74-R78 VanDerWaalsContact CZ-NH2 3.34Å; R74-R78 VanDerWaalsContact NE-NH2 3.16Å; R74-R78 WeakPolarHBondContact O-CG 3.43Å; R74-R78 PolarHBondContact O-N 3.27Å; E75-R78 WeakPolarHBondContact O-CB 3.24Å; E75-R78 PolarHBondContact O-N 2.97Å; E75-R78 VanDerWaalsContact O-N 3.15Å; S76-R78 VanDerWaalsContact C-N 3.29Å; S76-R78 PolarHBondContact O-N 3.37Å; R78-G82 PolarHBondContact O-N 3.3Å
79	N	98.1	Very high	97.7	Very high	80 Å²	80	66.1 Å²	66.1	43%	0.428	35%	0.348	S	S	.	.	H	α-helix	trans	-64.2	-47.1	178.5	-69.6	-26.3	0	0	0	111.5	E75 S76 R81 G82 Y83	E75-N79 PolarHBondContact O-N 3.41Å; E75-N79 PolarHBondContact O-ND2 3.45Å; S76-N79 PolarHBondContact O-N 3.02Å; S76-N79 VanDerWaalsContact O-N 3.16Å; N79-R81 PolarHBondContact O-N 3.14Å; N79-G82 CarbonylContact O-C 3.52Å; N79-G82 WeakPolarHBondContact O-CA 3.43Å; N79-G82 PolarHBondContact O-N 3Å; N79-Y83 HydrophobicContact CB-CE2 4.44Å; N79-Y83 WeakPolarHBondContact O-CD1 3.43Å; N79-Y83 PolarHBondContact O-N 2.81Å
80	L	98.4	Very high	97.5	Very high	5 Å²	5	65.9 Å²	65.9	3%	0.026	35%	0.354	C	S	.	.	H	α-helix	trans	-58.9	-47.8	179.2	-72.6	162.7	0	0	0	111.2	S76 G82 Y83 Y84 L94 Y117 Y122	S76-L80 WeakPolarHBondContact O-CB 3.38Å; S76-L80 WeakPolarHBondContact O-CD1 3.38Å; S76-L80 WeakPolarHBondContact O-CG 3.26Å; S76-L80 PolarHBondContact O-N 3.06Å; L80-G82 PolarHBondContact O-N 3.15Å; L80-Y83 PolarHBondContact O-N 3.43Å; L80-Y84 HydrophobicContact CD2-CE2 4.2Å; L80-Y84 VanDerWaalsContact O-CD2 3.26Å; L80-Y84 WeakPolarHBondContact O-CD2 3.49Å; L80-Y84 PolarHBondContact O-N 3.46Å; L80-L94 HydrophobicContact CD1-CD1 3.93Å; L80-L94 HydrophobicContact CD1-CD2 4.45Å; L80-Y117 HydrophobicContact CB-CD1 4.4Å; L80-Y117 HydrophobicContact CB-CD2 4.19Å; L80-Y117 HydrophobicContact CB-CE1 4.03Å; L80-Y117 HydrophobicContact CB-CE2 3.83Å; L80-Y117 HydrophobicContact CB-CG 4.46Å; L80-Y117 HydrophobicContact CD1-CD2 3.62Å; L80-Y117 HydrophobicContact CD1-CE2 3.92Å; L80-Y117 HydrophobicContact CD1-CG 4.12Å; L80-Y117 HydrophobicContact CD2-CG 4.35Å; L80-Y117 HydrophobicContact CG-CD2 4.36Å; L80-Y117 HydrophobicContact CG-CE2 4.44Å; L80-Y122 HydrophobicContact CD2-CD1 4.38Å; L80-Y122 HydrophobicContact CD2-CD2 3.98Å; L80-Y122 HydrophobicContact CD2-CE1 3.85Å; L80-Y122 HydrophobicContact CD2-CE2 3.37Å; L80-Y122 HydrophobicContact CD2-CG 4.45Å
81	R	97.6	Very high	97.5	Very high	65 Å²	65	68.7 Å²	68.7	25%	0.245	37%	0.373	C	S	.	.	H	α-helix	trans	-53.6	-41.6	174	-174.7	-169.7	65.4	-174.9	10	111.9	L77 N79 N85 Q86 E88	L77-R81 WeakPolarHBondContact O-CB 3.33Å; L77-R81 PolarHBondContact O-N 2.92Å; L77-R81 VanDerWaalsContact O-N 3.15Å; N79-R81 PolarHBondContact O-N 3.14Å; R81-N85 PolarHBondContact O-N 3.08Å; R81-N85 VanDerWaalsContact O-N 3.14Å; R81-Q86 HydrophobicContact CG-CB 3.79Å; R81-Q86 WeakPolarHBondContact CG-O 3.38Å; R81-Q86 PolarHBondContact O-N 2.8Å; R81-E88 IonicContact CZ-OE1 3.43Å; R81-E88 VanDerWaalsContact CZ-OE1 3.25Å; R81-E88 IonicContact NH1-OE1 2.99Å; R81-E88 PolarHBondContact NH1-OE1 2.81Å; R81-E88 IonicContact NH2-OE1 3.72Å; R81-E88 PolarHBondContact NH2-OE1 3.33Å
82	G	97.8	Very high	97.5	Very high	43 Å²	43	64.7 Å²	64.7	44%	0.443	35%	0.354	S	S	.	.	H	α-helix	trans	-64.9	-46.4	174.9	0	0	0	0	0	113	R78 N79 L80 Y84 N85	R78-G82 PolarHBondContact O-N 3.3Å; N79-G82 CarbonylContact O-C 3.52Å; N79-G82 WeakPolarHBondContact O-CA 3.43Å; N79-G82 PolarHBondContact O-N 3Å; L80-G82 PolarHBondContact O-N 3.15Å; G82-Y84 VanDerWaalsContact C-N 3.28Å; G82-Y84 PolarHBondContact O-N 3.31Å; G82-N85 PolarHBondContact O-N 2.84Å; G82-N85 VanDerWaalsContact O-N 3.16Å
83	Y	98.2	Very high	97.5	Very high	54 Å²	54	63.1 Å²	63.1	21%	0.212	35%	0.345	C	S	.	.	H	α-helix	trans	-61.8	-35.9	179.5	-60.4	-17.8	0	0	0	112.8	N79 L80 I141 K145	N79-Y83 HydrophobicContact CB-CE2 4.44Å; N79-Y83 WeakPolarHBondContact O-CD1 3.43Å; N79-Y83 PolarHBondContact O-N 2.81Å; L80-Y83 PolarHBondContact O-N 3.43Å; Y83-I141 HydrophobicContact CD1-CD1 4.03Å; Y83-I141 HydrophobicContact CE1-CD1 4.34Å; Y83-I141 HydrophobicContact CE1-CG2 3.98Å; Y83-I141 HydrophobicContact CE2-CB 4.33Å; Y83-I141 HydrophobicContact CE2-CG2 4.24Å; Y83-I141 HydrophobicContact CG-CD1 4.18Å; Y83-K145 PolarHBondContact OH-NZ 3.44Å
84	Y	98.2	Very high	97.5	Very high	68 Å²	68	63.3 Å²	63.3	27%	0.267	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	4.5	178.8	-69.7	-72	0	0	0	114	L80 G82 Q86 Y117 Y122 D136 A138	L80-Y84 HydrophobicContact CD2-CE2 4.2Å; L80-Y84 VanDerWaalsContact O-CD2 3.26Å; L80-Y84 WeakPolarHBondContact O-CD2 3.49Å; L80-Y84 PolarHBondContact O-N 3.46Å; G82-Y84 VanDerWaalsContact C-N 3.28Å; G82-Y84 PolarHBondContact O-N 3.31Å; Y84-Q86 PolarHBondContact O-N 2.84Å; Y84-Y117 AromaticContact CD2-CD1 3.69Å; Y84-Y117 HydrophobicContact CD2-CD1 3.69Å; Y84-Y117 AromaticContact CD2-CE1 3.5Å; Y84-Y117 HydrophobicContact CD2-CE1 3.5Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.5Å; Y84-Y117 AromaticContact CE2-CD1 3.47Å; Y84-Y117 HydrophobicContact CE2-CD1 3.47Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.47Å; Y84-Y117 AromaticContact CE2-CE1 3.82Å; Y84-Y117 HydrophobicContact CE2-CE1 3.82Å; Y84-Y117 HydrophobicContact CE2-CG 4.47Å; Y84-Y117 HydrophobicContact CG-CE1 4.38Å; Y84-Y122 HydrophobicContact CE2-CD2 4.37Å; Y84-Y122 HydrophobicContact CE2-CE2 4.07Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.34Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.23Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.22Å; Y84-D136 VanDerWaalsContact OH-CG 3.27Å; Y84-D136 PolarHBondContact OH-OD1 2.79Å; Y84-D136 PolarHBondContact OH-OD2 3.01Å; Y84-A138 HydrophobicContact CD1-CB 4.26Å; Y84-A138 HydrophobicContact CD2-CB 4.39Å; Y84-A138 HydrophobicContact CE1-CB 3.72Å; Y84-A138 HydrophobicContact CE2-CB 3.86Å
85	N	97.4	Very high	97.6	Very high	153 Å²	153	64.2 Å²	64.2	82%	0.818	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	39.3	-177.7	-55.8	-67.2	0	0	0	113.4	R81 G82	R81-N85 PolarHBondContact O-N 3.08Å; R81-N85 VanDerWaalsContact O-N 3.14Å; G82-N85 PolarHBondContact O-N 2.84Å; G82-N85 VanDerWaalsContact O-N 3.16Å
86	Q	97.7	Very high	97.6	Very high	59 Å²	59	58.8 Å²	58.8	28%	0.276	33%	0.328	S	S	.	.			trans	-88.7	154.6	-176	-71.6	165.4	-31.1	0	0	112.3	R81 Y84 H92 Y117	R81-Q86 HydrophobicContact CG-CB 3.79Å; R81-Q86 WeakPolarHBondContact CG-O 3.38Å; R81-Q86 PolarHBondContact O-N 2.8Å; Y84-Q86 PolarHBondContact O-N 2.84Å; Q86-H92 PolarHBondContact NE2-CE1 3.19Å; Q86-H92 PolarHBondContact OE1-CE1 2.71Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.3Å; Q86-Y117 PolarHBondContact OE1-OH 3.27Å
87	S	96.3	Very high	97.6	Very high	81 Å²	81	58.2 Å²	58.2	57%	0.566	32%	0.321	S	S	*	.			trans	-70.2	149.6	178.3	176.5	0	0	0	0	112.3	A89 G90	S87-A89 PolarHBondContact O-N 2.9Å; S87-A89 PolarHBondContact OG-N 2.75Å; S87-G90 PolarHBondContact O-N 2.86Å
88	E	93.9	Very high	97.6	Very high	132 Å²	132	59 Å²	59	62%	0.617	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-16.8	173.7	-52.4	-153.6	130.8	0	0	113.8	P14 R81 G90	P14-E88 WeakPolarHBondContact CB-O 3.46Å; P14-E88 WeakPolarHBondContact CG-O 3.37Å; R81-E88 IonicContact CZ-OE1 3.43Å; R81-E88 VanDerWaalsContact CZ-OE1 3.25Å; R81-E88 IonicContact NH1-OE1 2.99Å; R81-E88 PolarHBondContact NH1-OE1 2.81Å; R81-E88 IonicContact NH2-OE1 3.72Å; R81-E88 PolarHBondContact NH2-OE1 3.33Å; E88-G90 VanDerWaalsContact C-N 3.33Å
89	A	94.3	Very high	97.6	Very high	82 Å²	82	53.2 Å²	53.2	68%	0.678	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-16.5	-179.1	0	0	0	0	0	113.3	S87	S87-A89 PolarHBondContact O-N 2.9Å; S87-A89 PolarHBondContact OG-N 2.75Å
90	G	94.8	Very high	97.7	Very high	27 Å²	27	49.4 Å²	49.4	28%	0.278	28%	0.281	S	S	.	.	S	Bend	trans	-76.5	137.4	-178.5	0	0	0	0	0	112.9	P14 S87 E88 H92	P14-G90 VanDerWaalsContact CG-O 3.25Å; P14-G90 WeakPolarHBondContact CG-O 3.45Å; S87-G90 PolarHBondContact O-N 2.86Å; E88-G90 VanDerWaalsContact C-N 3.33Å; G90-H92 PolarHBondContact O-CD2 2.63Å; G90-H92 VanDerWaalsContact O-CD2 3.26Å
91	S	97.8	Very high	97.7	Very high	75 Å²	75	50.7 Å²	50.7	52%	0.524	29%	0.288	S	S	.	.			trans	-80.7	134.5	163.2	178.6	0	0	0	0	108.7	S12	S12-S91 WeakPolarHBondContact O-CB 3.15Å; S12-S91 PolarHBondContact O-OG 3.15Å
92	H	98.6	Very high	97.7	Very high	18 Å²	18	47.6 Å²	47.6	8%	0.083	28%	0.277	C	S	.	.			trans	-133.5	151.8	-176.9	-65.2	-75.4	0	0	0	110.2	S12 L77 Q86 G90 Y117 D118	S12-H92 PolarHBondContact N-O 2.86Å; S12-H92 PolarHBondContact OG-N 2.86Å; S12-H92 PolarHBondContact OG-O 3.02Å; L77-H92 HydrophobicContact CD2-CB 4.29Å; Q86-H92 PolarHBondContact NE2-CE1 3.19Å; Q86-H92 PolarHBondContact OE1-CE1 2.71Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.3Å; G90-H92 PolarHBondContact O-CD2 2.63Å; G90-H92 VanDerWaalsContact O-CD2 3.26Å; H92-Y117 HydrophobicContact CB-CE2 3.83Å; H92-Y117 WeakPolarHBondContact CB-OH 3.15Å; H92-Y117 AromaticContact ND1-CZ 3.9Å; H92-Y117 PolarHBondContact ND1-OH 3.27Å; H92-D118 WeakPolarHBondContact CA-OD1 3.38Å; H92-D118 WeakPolarHBondContact CB-OD1 3.28Å; H92-D118 IonicContact CE1-OD2 3.6Å; H92-D118 IonicContact CG-OD1 3.43Å; H92-D118 IonicContact CG-OD2 2.68Å; H92-D118 IonicContact ND1-OD1 2.8Å; H92-D118 IonicContact ND1-OD2 3.63Å; H92-D118 PolarHBondContact ND1-OD2 3.42Å
93	T	98.8	Very high	97.7	Very high	36 Å²	36	45.8 Å²	45.8	22%	0.221	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	128.7	-176.4	-55.9	0	0	0	0	110.6	T9 S10 V11 Q95 Y117 D118	T9-T93 HydrophobicContact CG2-CG2 4.1Å; S10-T93 CarbonylContact O-C 3.54Å; S10-T93 WeakPolarHBondContact O-CA 3.5Å; V11-T93 HydrophobicContact CG2-CG2 4.24Å; T93-Q95 HydrophobicContact CG2-CG 3.9Å; T93-Y117 WeakPolarHBondContact O-CA 3.32Å; T93-Y117 VanDerWaalsContact O-CD2 3.24Å; T93-Y117 WeakPolarHBondContact O-CD2 3.3Å; T93-D118 PolarHBondContact N-OD1 3.21Å; T93-D118 PolarHBondContact O-N 3.1Å
94	L	98.9	Very high	97.6	Very high	5 Å²	5	49.4 Å²	49.4	3%	0.026	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.3	167.4	174.2	65.9	0	0	0	108.2	S10 D73 L77 L80 Y115	S10-L94 PolarHBondContact N-O 2.75Å; S10-L94 PolarHBondContact O-N 3.13Å; D73-L94 HydrophobicContact CB-CD2 4.19Å; L77-L94 HydrophobicContact CD2-CB 3.76Å; L77-L94 HydrophobicContact CG-CB 4.16Å; L80-L94 HydrophobicContact CD1-CD1 3.93Å; L80-L94 HydrophobicContact CD1-CD2 4.45Å; L94-Y115 HydrophobicContact CD1-CD1 4.37Å
95	Q	98.9	Very high	97.5	Very high	79 Å²	79	50.6 Å²	50.6	37%	0.369	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	144.7	175.9	-62.5	173.8	-91.3	0	0	109.6	Y8 T9 T93 Y115 A116	Y8-Q95 VanDerWaalsContact O-CA 3.3Å; Y8-Q95 WeakPolarHBondContact O-CA 3.48Å; T9-Q95 HydrophobicContact CG2-CG 4.31Å; T93-Q95 HydrophobicContact CG2-CG 3.9Å; Q95-Y115 CarbonylContact O-C 3.57Å; Q95-Y115 VanDerWaalsContact O-CA 3.26Å; Q95-Y115 WeakPolarHBondContact O-CA 3.2Å; Q95-A116 HydrophobicContact CB-CB 4.36Å; Q95-A116 PolarHBondContact N-O 3.41Å; Q95-A116 PolarHBondContact O-N 2.91Å
96	S	98.6	Very high	97.4	Very high	5 Å²	5	43.9 Å²	43.9	4%	0.035	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	141.3	173.7	-37.9	0	0	0	0	109.5	F7 Y8 Q114 Y115	F7-S96 WeakPolarHBondContact CA-O 3.41Å; Y8-S96 PolarHBondContact N-O 2.81Å; Y8-S96 PolarHBondContact O-N 3.5Å; S96-Q114 CarbonylContact C-O 3.56Å; S96-Q114 WeakPolarHBondContact CA-O 3.5Å; S96-Y115 WeakPolarHBondContact OG-CD1 3.38Å; S96-Y115 WeakPolarHBondContact OG-CE1 3.25Å
97	M	98.8	Very high	97.4	Very high	24 Å²	24	49.1 Å²	49.1	12%	0.118	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	127.3	169.5	-176.3	-78.6	-70.6	0	0	108.5	Y6 F7 H112 D113 Q114	Y6-M97 WeakPolarHBondContact O-CA 3.37Å; F7-M97 HydrophobicContact CD1-CB 4.05Å; F7-M97 HydrophobicContact CD1-CG 3.64Å; F7-M97 HydrophobicContact CE1-CB 4.24Å; F7-M97 HydrophobicContact CE1-CG 3.41Å; F7-M97 VanDerWaalsContact CE1-CG 3.41Å; F7-M97 HydrophobicContact CZ-CG 4.12Å; M97-H112 HydrophobicContact CE-CB 4.05Å; M97-H112 HydrophobicContact SD-CB 4.09Å; M97-D113 WeakPolarHBondContact O-CA 3.16Å; M97-Q114 HydrophobicContact CB-CG 4.2Å; M97-Q114 HydrophobicContact CE-CG 3.86Å; M97-Q114 PolarHBondContact N-O 2.92Å; M97-Q114 PolarHBondContact O-N 3.23Å
98	Y	98.8	Very high	97.5	Very high	27 Å²	27	47.8 Å²	47.8	11%	0.106	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	160.2	173.4	69.7	-90.6	0	0	0	110.7	R5 Y6 Y8 H112 Y158	R5-Y98 WeakPolarHBondContact CA-O 3.19Å; Y6-Y98 HydrophobicContact CD2-CD2 4.46Å; Y6-Y98 AromaticContact CD2-CE2 3.66Å; Y6-Y98 HydrophobicContact CD2-CE2 3.66Å; Y6-Y98 AromaticContact CD2-CZ 3.85Å; Y6-Y98 HydrophobicContact CE2-CE2 4.48Å; Y6-Y98 HydrophobicContact CG-CE1 4.49Å; Y6-Y98 HydrophobicContact CG-CE2 4.16Å; Y6-Y98 AromaticContact CG-CZ 3.88Å; Y6-Y98 PolarHBondContact N-O 3.04Å; Y6-Y98 PolarHBondContact O-N 3.48Å; Y8-Y98 HydrophobicContact CD2-CE1 4.25Å; Y8-Y98 HydrophobicContact CE1-CE1 4.17Å; Y8-Y98 AromaticContact CE2-CE1 3.56Å; Y8-Y98 HydrophobicContact CE2-CE1 3.56Å; Y8-Y98 AromaticContact CZ-CE1 3.54Å; Y8-Y98 AromaticContact CZ-CZ 3.94Å; Y8-Y98 PolarHBondContact OH-OH 3.31Å; Y98-H112 CarbonylContact C-O 3.58Å; Y98-H112 WeakPolarHBondContact CA-O 3.44Å; Y98-H112 WeakPolarHBondContact CB-O 3.37Å; Y98-Y158 AromaticContact CD2-CE1 3.81Å; Y98-Y158 HydrophobicContact CD2-CE1 3.81Å; Y98-Y158 AromaticContact CE2-CE1 3.67Å; Y98-Y158 HydrophobicContact CE2-CE1 3.67Å; Y98-Y158 AromaticContact CE2-CZ 3.95Å
99	G	98.8	Very high	97.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.2	-173.4	178.9	0	0	0	0	0	113.6	M4 G111 H112 L159	M4-G99 CarbonylContact O-C 3.55Å; M4-G99 WeakPolarHBondContact O-CA 3.45Å; G99-G111 CarbonylContact O-C 3.53Å; G99-G111 WeakPolarHBondContact O-CA 3.47Å; G99-H112 PolarHBondContact N-O 3.43Å; G99-H112 PolarHBondContact O-N 2.82Å; G99-L159 WeakPolarHBondContact O-CD2 3.17Å
100	C	98.8	Very high	97.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	144.3	-171.2	50.1	0	0	0	0	111.1	S3 M4 L108 R110 C163 V164	S3-C100 WeakPolarHBondContact CA-O 3.46Å; M4-C100 PolarHBondContact N-O 2.62Å; M4-C100 PolarHBondContact O-N 3.12Å; C100-L108 HydrophobicContact CB-CD1 3.63Å; C100-R110 WeakPolarHBondContact CA-O 3.29Å; C100-C163 HydrophobicContact CB-CB 3.94Å; C100-C163 WeakPolarHBondContact CB-SG 3.14Å; C100-C163 PolarHBondContact N-SG 2.64Å; C100-C163 WeakPolarHBondContact SG-CB 3.34Å; C100-C163 PolarHBondContact SG-O 3.22Å; C100-C163 CovalentContact SG-SG 2.05Å; C100-C163 PolarHBondContact SG-SG 2.76Å; C100-V164 HydrophobicContact CB-CG2 4.25Å
101	D	98.8	Very high	98	Very high	31 Å²	31	47 Å²	47	17%	0.166	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	134.7	171.3	-54.9	-30.6	0	0	0	108.8	H2 S3 R5 L109 R110 H112	H2-D101 CarbonylContact O-C 3.53Å; H2-D101 WeakPolarHBondContact O-CA 3.33Å; S3-D101 WeakPolarHBondContact CB-OD1 3.45Å; R5-D101 IonicContact CZ-OD1 3.81Å; R5-D101 IonicContact NE-OD1 3.27Å; R5-D101 PolarHBondContact NE-OD1 3.38Å; R5-D101 IonicContact NH2-OD1 2.77Å; R5-D101 PolarHBondContact NH2-OD1 3.05Å; R5-D101 IonicContact NH2-OD2 3.55Å; R5-D101 PolarHBondContact NH2-OD2 3.3Å; D101-L109 PolarHBondContact O-N 3.41Å; D101-R110 HydrophobicContact CB-CB 4.45Å; D101-R110 PolarHBondContact N-O 3.38Å; D101-R110 PolarHBondContact O-N 3.22Å; D101-H112 IonicContact OD1-NE2 2.66Å; D101-H112 IonicContact OD2-CD2 3.67Å; D101-H112 IonicContact OD2-CE1 2.94Å; D101-H112 IonicContact OD2-NE2 3.67Å; D101-H112 PolarHBondContact OD2-NE2 2.96Å
102	V	98.6	Very high	98	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	145.2	-179.8	-59.8	0	0	0	0	112.4	S1 H2 R107 V164 L167	S1-V102 WeakPolarHBondContact CA-O 3.45Å; S1-V102 WeakPolarHBondContact CB-O 3.33Å; H2-V102 HydrophobicContact CB-CG2 4.1Å; H2-V102 PolarHBondContact N-O 3.23Å; H2-V102 PolarHBondContact O-N 2.94Å; V102-R107 WeakPolarHBondContact CA-O 3.45Å; V102-R107 WeakPolarHBondContact CB-O 3.46Å; V102-V164 HydrophobicContact CG1-CB 4.47Å; V102-V164 HydrophobicContact CG1-CG1 4.04Å; V102-V164 HydrophobicContact CG1-CG2 4Å; V102-L167 HydrophobicContact CB-CD2 4.36Å; V102-L167 HydrophobicContact CG1-CD2 3.95Å; V102-L167 HydrophobicContact CG2-CD2 3.58Å; V102-L167 HydrophobicContact CG2-CG 4.23Å
103	G	97.7	Very high	98	Very high	4 Å²	4	43.6 Å²	43.6	4%	0.041	22%	0.22	C	C	.	.			trans	-73.1	175.3	173.3	0	0	0	0	0	112.2	D105 G106 R107	G103-D105 PolarHBondContact O-N 3.05Å; G103-G106 WeakPolarHBondContact O-CA 3.34Å; G103-G106 PolarHBondContact O-N 3.48Å; G103-R107 PolarHBondContact N-O 3.27Å
104	P	95.7	Very high	98	Very high	131 Å²	131	45.4 Å²	45.4	85%	0.851	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-24.3	173.6	-22.6	33.9	0	0	0	113.8	G106	P104-G106 PolarHBondContact O-N 2.69Å
105	D	95.6	Very high	98	Very high	93 Å²	93	46.3 Å²	46.3	50%	0.497	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	3.6	173.5	68.6	-12.6	0	0	0	113	G103 R107	G103-D105 PolarHBondContact O-N 3.05Å; D105-R107 PolarHBondContact O-N 2.9Å; D105-R107 WeakPolarHBondContact OD1-CB 3.33Å; D105-R107 PolarHBondContact OD1-N 3.01Å; D105-R107 WeakPolarHBondContact OD2-CD 3.39Å; D105-R107 WeakPolarHBondContact OD2-CG 3.42Å; D105-R107 IonicContact OD2-NE 3.42Å; D105-R107 IonicContact OD2-NH1 2.89Å
106	G	94.8	Very high	98	Very high	12 Å²	12	43.3 Å²	43.3	12%	0.124	22%	0.218	C	C	.	.			trans	72.1	3.5	-178	0	0	0	0	0	114.2	G103 P104 V164 R168	G103-G106 WeakPolarHBondContact O-CA 3.34Å; G103-G106 PolarHBondContact O-N 3.48Å; P104-G106 PolarHBondContact O-N 2.69Å; G106-V164 WeakPolarHBondContact O-CG1 3.14Å; G106-R168 VanDerWaalsContact C-NH2 3.26Å; G106-R168 PolarHBondContact O-NE 2.91Å; G106-R168 PolarHBondContact O-NH2 3.18Å
107	R	97.4	Very high	98.1	Very high	169 Å²	169	43.6 Å²	43.6	64%	0.638	22%	0.218	S	C	*	.			trans	-78.1	148.2	179.9	-65.5	-173.6	-178.6	162	-2.9	111.1	V102 G103 D105 L109	V102-R107 WeakPolarHBondContact CA-O 3.45Å; V102-R107 WeakPolarHBondContact CB-O 3.46Å; G103-R107 PolarHBondContact N-O 3.27Å; D105-R107 PolarHBondContact O-N 2.9Å; D105-R107 WeakPolarHBondContact OD1-CB 3.33Å; D105-R107 PolarHBondContact OD1-N 3.01Å; D105-R107 WeakPolarHBondContact OD2-CD 3.39Å; D105-R107 WeakPolarHBondContact OD2-CG 3.42Å; D105-R107 IonicContact OD2-NE 3.42Å; D105-R107 IonicContact OD2-NH1 2.89Å; R107-L109 PolarHBondContact O-N 2.84Å
108	L	98.4	Very high	98	Very high	53 Å²	53	45.5 Å²	45.5	28%	0.277	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	124.5	175.7	-174.7	70.9	0	0	0	109.9	C100 R110 L129 E160 V164	C100-L108 HydrophobicContact CB-CD1 3.63Å; L108-R110 WeakPolarHBondContact CD1-O 3.32Å; L108-L129 HydrophobicContact CD2-CD1 4.21Å; L108-E160 HydrophobicContact CD2-CB 4.42Å; L108-E160 HydrophobicContact CD2-CG 3.68Å; L108-V164 HydrophobicContact CB-CG2 4.06Å; L108-V164 HydrophobicContact CD1-CG2 3.82Å
109	L	98.1	Very high	98	Very high	120 Å²	120	47 Å²	47	63%	0.628	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	-44.2	168.4	-64.4	177.8	0	0	0	110.5	D101 R107	D101-L109 PolarHBondContact O-N 3.41Å; R107-L109 PolarHBondContact O-N 2.84Å
110	R	97.8	Very high	98	Very high	101 Å²	101	54.7 Å²	54.7	38%	0.381	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	141.3	-176.1	-173.9	172.7	176.4	142.2	8.3	111.1	C100 D101 L108 H112 E127	C100-R110 WeakPolarHBondContact CA-O 3.29Å; D101-R110 HydrophobicContact CB-CB 4.45Å; D101-R110 PolarHBondContact N-O 3.38Å; D101-R110 PolarHBondContact O-N 3.22Å; L108-R110 WeakPolarHBondContact CD1-O 3.32Å; R110-H112 WeakPolarHBondContact CD-CE1 3.29Å; R110-H112 PolarHBondContact NE-CE1 3.05Å; R110-E127 VanDerWaalsContact CZ-CD 3.43Å; R110-E127 VanDerWaalsContact CZ-CG 3.5Å; R110-E127 IonicContact CZ-OE1 2.72Å; R110-E127 IonicContact NE-OE1 3.47Å; R110-E127 VanDerWaalsContact NH1-CD 3.32Å; R110-E127 IonicContact NH1-OE1 3.55Å; R110-E127 PolarHBondContact NH1-OE1 3.1Å; R110-E127 VanDerWaalsContact NH2-CG 3.28Å; R110-E127 IonicContact NH2-OE1 3.56Å; R110-E127 PolarHBondContact NH2-OE1 3.47Å
111	G	98.5	Very high	98	Very high	3 Å²	3	60.5 Å²	60.5	3%	0.031	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	152.3	167	0	0	0	0	0	110.8	G99	G99-G111 CarbonylContact O-C 3.53Å; G99-G111 WeakPolarHBondContact O-CA 3.47Å
112	H	98.6	Very high	98	Very high	21 Å²	21	59.5 Å²	59.5	10%	0.097	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	139.8	179.1	-53.9	-94.7	0	0	0	109.4	R5 M97 Y98 G99 D101 R110	R5-H112 PolarHBondContact NH2-NE2 2.05Å; R5-H112 VanDerWaalsContact NH2-NE2 3.15Å; M97-H112 HydrophobicContact CE-CB 4.05Å; M97-H112 HydrophobicContact SD-CB 4.09Å; Y98-H112 CarbonylContact C-O 3.58Å; Y98-H112 WeakPolarHBondContact CA-O 3.44Å; Y98-H112 WeakPolarHBondContact CB-O 3.37Å; G99-H112 PolarHBondContact N-O 3.43Å; G99-H112 PolarHBondContact O-N 2.82Å; D101-H112 IonicContact OD1-NE2 2.66Å; D101-H112 IonicContact OD2-CD2 3.67Å; D101-H112 IonicContact OD2-CE1 2.94Å; D101-H112 IonicContact OD2-NE2 3.67Å; D101-H112 PolarHBondContact OD2-NE2 2.96Å; R110-H112 WeakPolarHBondContact CD-CE1 3.29Å; R110-H112 PolarHBondContact NE-CE1 3.05Å
113	D	98.7	Very high	98	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	107.9	165	-175.7	17.1	0	0	0	108.3	M97 Y115 L125 R155	M97-D113 WeakPolarHBondContact O-CA 3.16Å; D113-Y115 WeakPolarHBondContact OD1-CE2 3.12Å; D113-L125 HydrophobicContact CB-CB 3.99Å; D113-L125 HydrophobicContact CB-CD2 4.15Å; D113-L125 WeakPolarHBondContact O-CB 3.1Å; D113-L125 PolarHBondContact O-N 3.18Å; D113-R155 WeakPolarHBondContact OD2-CD 3.25Å; D113-R155 VanDerWaalsContact OD2-CG 3.28Å; D113-R155 WeakPolarHBondContact OD2-CG 3.42Å; D113-R155 IonicContact OD2-CZ 2.79Å; D113-R155 IonicContact OD2-NE 4Å; D113-R155 PolarHBondContact OD2-NE 2.77Å
114	Q	98.8	Very high	98.1	Very high	74 Å²	74	61 Å²	61	35%	0.346	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	148.9	-173.1	62.1	-175.2	78.3	0	0	112.2	S96 M97 I123 A124	S96-Q114 CarbonylContact C-O 3.56Å; S96-Q114 WeakPolarHBondContact CA-O 3.5Å; M97-Q114 HydrophobicContact CB-CG 4.2Å; M97-Q114 HydrophobicContact CE-CG 3.86Å; M97-Q114 PolarHBondContact N-O 2.92Å; M97-Q114 PolarHBondContact O-N 3.23Å; Q114-I123 WeakPolarHBondContact CA-O 3.39Å; Q114-A124 HydrophobicContact CB-CB 3.83Å
115	Y	98.9	Very high	98.2	Very high	24 Å²	24	55.3 Å²	55.3	9%	0.094	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	143.6	-175.1	-63.3	-100.1	0	0	0	110.5	L94 Q95 S96 D113 Y122 I123 W146 R155	L94-Y115 HydrophobicContact CD1-CD1 4.37Å; Q95-Y115 CarbonylContact O-C 3.57Å; Q95-Y115 VanDerWaalsContact O-CA 3.26Å; Q95-Y115 WeakPolarHBondContact O-CA 3.2Å; S96-Y115 WeakPolarHBondContact OG-CD1 3.38Å; S96-Y115 WeakPolarHBondContact OG-CE1 3.25Å; D113-Y115 WeakPolarHBondContact OD1-CE2 3.12Å; Y115-Y122 WeakPolarHBondContact O-CB 3.44Å; Y115-Y122 PolarHBondContact O-N 3.46Å; Y115-I123 HydrophobicContact CD2-CG2 4.03Å; Y115-I123 HydrophobicContact CG-CG2 4.41Å; Y115-I123 PolarHBondContact N-O 3.15Å; Y115-I123 PolarHBondContact O-N 2.88Å; Y115-W146 AromaticContact CD2-CH2 3.73Å; Y115-W146 HydrophobicContact CD2-CH2 3.73Å; Y115-W146 HydrophobicContact CD2-CZ3 4.18Å; Y115-W146 AromaticContact CE2-CH2 3.42Å; Y115-W146 HydrophobicContact CE2-CH2 3.42Å; Y115-W146 VanDerWaalsContact CE2-CH2 3.42Å; Y115-W146 HydrophobicContact CE2-CZ2 4.48Å; Y115-W146 AromaticContact CE2-CZ3 3.97Å; Y115-W146 HydrophobicContact CE2-CZ3 3.97Å; Y115-W146 HydrophobicContact CG-CH2 4.46Å; Y115-W146 AromaticContact CZ-CH2 3.88Å; Y115-R155 PolarHBondContact OH-NH2 3.49Å
116	A	98.9	Very high	98.4	Very high	16 Å²	16	53 Å²	53	13%	0.132	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	143.4	173.4	0	0	0	0	0	110.7	Q95 K120	Q95-A116 HydrophobicContact CB-CB 4.36Å; Q95-A116 PolarHBondContact N-O 3.41Å; Q95-A116 PolarHBondContact O-N 2.91Å; A116-K120 CarbonylContact C-O 3.59Å; A116-K120 WeakPolarHBondContact CA-O 3.31Å; A116-K120 VanDerWaalsContact CB-O 3.25Å; A116-K120 WeakPolarHBondContact CB-O 3.42Å
117	Y	98.9	Very high	98.5	Very high	10 Å²	10	58.8 Å²	58.8	4%	0.039	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	126.7	176.7	-174.1	-121.4	0	0	0	110.2	L77 L80 Y84 Q86 H92 T93 G119 K120	L77-Y117 HydrophobicContact CD2-CE2 3.98Å; L80-Y117 HydrophobicContact CB-CD1 4.4Å; L80-Y117 HydrophobicContact CB-CD2 4.19Å; L80-Y117 HydrophobicContact CB-CE1 4.03Å; L80-Y117 HydrophobicContact CB-CE2 3.83Å; L80-Y117 HydrophobicContact CB-CG 4.46Å; L80-Y117 HydrophobicContact CD1-CD2 3.62Å; L80-Y117 HydrophobicContact CD1-CE2 3.92Å; L80-Y117 HydrophobicContact CD1-CG 4.12Å; L80-Y117 HydrophobicContact CD2-CG 4.35Å; L80-Y117 HydrophobicContact CG-CD2 4.36Å; L80-Y117 HydrophobicContact CG-CE2 4.44Å; Y84-Y117 AromaticContact CD2-CD1 3.69Å; Y84-Y117 HydrophobicContact CD2-CD1 3.69Å; Y84-Y117 AromaticContact CD2-CE1 3.5Å; Y84-Y117 HydrophobicContact CD2-CE1 3.5Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.5Å; Y84-Y117 AromaticContact CE2-CD1 3.47Å; Y84-Y117 HydrophobicContact CE2-CD1 3.47Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.47Å; Y84-Y117 AromaticContact CE2-CE1 3.82Å; Y84-Y117 HydrophobicContact CE2-CE1 3.82Å; Y84-Y117 HydrophobicContact CE2-CG 4.47Å; Y84-Y117 HydrophobicContact CG-CE1 4.38Å; Q86-Y117 PolarHBondContact OE1-OH 3.27Å; H92-Y117 HydrophobicContact CB-CE2 3.83Å; H92-Y117 WeakPolarHBondContact CB-OH 3.15Å; H92-Y117 AromaticContact ND1-CZ 3.9Å; H92-Y117 PolarHBondContact ND1-OH 3.27Å; T93-Y117 WeakPolarHBondContact O-CA 3.32Å; T93-Y117 VanDerWaalsContact O-CD2 3.24Å; T93-Y117 WeakPolarHBondContact O-CD2 3.3Å; Y117-G119 PolarHBondContact O-N 3.03Å; Y117-K120 PolarHBondContact N-O 3.04Å; Y117-K120 PolarHBondContact O-N 2.88Å; Y117-K120 VanDerWaalsContact O-N 3.08Å
118	D	98.5	Very high	98.5	Very high	64 Å²	64	54.5 Å²	54.5	34%	0.342	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	40	-174.5	-66.3	-23.5	0	0	0	113.2	H92 T93 K120	H92-D118 WeakPolarHBondContact CA-OD1 3.38Å; H92-D118 WeakPolarHBondContact CB-OD1 3.28Å; H92-D118 IonicContact CE1-OD2 3.6Å; H92-D118 IonicContact CG-OD1 3.43Å; H92-D118 IonicContact CG-OD2 2.68Å; H92-D118 IonicContact ND1-OD1 2.8Å; H92-D118 IonicContact ND1-OD2 3.63Å; H92-D118 PolarHBondContact ND1-OD2 3.42Å; T93-D118 PolarHBondContact N-OD1 3.21Å; T93-D118 PolarHBondContact O-N 3.1Å; D118-K120 VanDerWaalsContact C-N 3.33Å; D118-K120 PolarHBondContact O-N 3.29Å
119	G	98	Very high	98.5	Very high	58 Å²	58	52.4 Å²	52.4	60%	0.598	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	8.2	177.1	0	0	0	0	0	115.4	Y117	Y117-G119 PolarHBondContact O-N 3.03Å
120	K	98.6	Very high	98.5	Very high	162 Å²	162	54.6 Å²	54.6	70%	0.704	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	144.5	176.1	-63.2	-179.8	-178.3	177.8	0	110.7	A116 Y117 D118 Y122	A116-K120 CarbonylContact C-O 3.59Å; A116-K120 WeakPolarHBondContact CA-O 3.31Å; A116-K120 VanDerWaalsContact CB-O 3.25Å; A116-K120 WeakPolarHBondContact CB-O 3.42Å; Y117-K120 PolarHBondContact N-O 3.04Å; Y117-K120 PolarHBondContact O-N 2.88Å; Y117-K120 VanDerWaalsContact O-N 3.08Å; D118-K120 VanDerWaalsContact C-N 3.33Å; D118-K120 PolarHBondContact O-N 3.29Å; K120-Y122 PolarHBondContact O-N 3.38Å
121	D	98.8	Very high	98.5	Very high	123 Å²	123	51.6 Å²	51.6	66%	0.658	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.1	134.8	173.7	-67.3	-26.1	0	0	0	110.6	A135	D121-A135 HydrophobicContact CB-CB 4.46Å; D121-A135 WeakPolarHBondContact O-CB 3.37Å
122	Y	98.8	Very high	98.6	Very high	10 Å²	10	52 Å²	52	4%	0.039	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	-63.5	179.9	179.7	-108.1	0	0	0	110.3	L80 Y84 Y115 K120 A135 A138 A139 T142	L80-Y122 HydrophobicContact CD2-CD1 4.38Å; L80-Y122 HydrophobicContact CD2-CD2 3.98Å; L80-Y122 HydrophobicContact CD2-CE1 3.85Å; L80-Y122 HydrophobicContact CD2-CE2 3.37Å; L80-Y122 HydrophobicContact CD2-CG 4.45Å; Y84-Y122 HydrophobicContact CE2-CD2 4.37Å; Y84-Y122 HydrophobicContact CE2-CE2 4.07Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.34Å; Y115-Y122 WeakPolarHBondContact O-CB 3.44Å; Y115-Y122 PolarHBondContact O-N 3.46Å; K120-Y122 PolarHBondContact O-N 3.38Å; Y122-A135 WeakPolarHBondContact O-CB 3.17Å; Y122-A135 PolarHBondContact O-N 2.91Å; Y122-A138 HydrophobicContact CE2-CB 4.37Å; Y122-A138 PolarHBondContact OH-O 3.32Å; Y122-A139 HydrophobicContact CD2-CB 3.85Å; Y122-A139 HydrophobicContact CE1-CB 4.38Å; Y122-A139 HydrophobicContact CE2-CB 3.71Å; Y122-A139 HydrophobicContact CG-CB 4.25Å; Y122-A139 WeakPolarHBondContact O-CB 3.23Å; Y122-T142 HydrophobicContact CE1-CG2 4.23Å; Y122-T142 PolarHBondContact OH-OG1 2.96Å
123	I	98.8	Very high	98.6	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.021	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	142.4	178.2	-161.1	172.3	0	0	0	110.2	Q114 Y115 W132 T133 T142 Q143 W146	Q114-I123 WeakPolarHBondContact CA-O 3.39Å; Y115-I123 HydrophobicContact CD2-CG2 4.03Å; Y115-I123 HydrophobicContact CG-CG2 4.41Å; Y115-I123 PolarHBondContact N-O 3.15Å; Y115-I123 PolarHBondContact O-N 2.88Å; I123-W132 HydrophobicContact CD1-CB 4.15Å; I123-W132 HydrophobicContact CD1-CD2 4.4Å; I123-W132 HydrophobicContact CD1-CE3 4.25Å; I123-W132 HydrophobicContact CD1-CG 4.37Å; I123-W132 HydrophobicContact CG1-CB 4.22Å; I123-W132 HydrophobicContact CG1-CE3 4.06Å; I123-T133 WeakPolarHBondContact CA-O 3.33Å; I123-T142 HydrophobicContact CD1-CG2 4.12Å; I123-Q143 HydrophobicContact CD1-CB 3.87Å; I123-W146 HydrophobicContact CD1-CE3 4.08Å; I123-W146 HydrophobicContact CD1-CZ3 4.27Å; I123-W146 HydrophobicContact CG2-CE3 4.44Å; I123-W146 HydrophobicContact CG2-CH2 3.95Å; I123-W146 HydrophobicContact CG2-CZ3 3.62Å
124	A	98.8	Very high	98.6	Very high	31 Å²	31	55.8 Å²	55.8	26%	0.256	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	139.3	178.5	0	0	0	0	0	111.5	Q114 W132 T133	Q114-A124 HydrophobicContact CB-CB 3.83Å; A124-W132 VanDerWaalsContact C-CE3 3.49Å; A124-W132 CarbonylContact O-C 3.54Å; A124-W132 WeakPolarHBondContact O-CA 3.49Å; A124-T133 PolarHBondContact N-O 2.91Å; A124-T133 PolarHBondContact O-N 2.88Å
125	L	98.9	Very high	98.6	Very high	13 Å²	13	55.1 Å²	55.1	7%	0.068	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	126.4	168.3	-174.5	64.9	0	0	0	108.2	D113 L129 W132 A152 R155 L159	D113-L125 HydrophobicContact CB-CB 3.99Å; D113-L125 HydrophobicContact CB-CD2 4.15Å; D113-L125 WeakPolarHBondContact O-CB 3.1Å; D113-L125 PolarHBondContact O-N 3.18Å; L125-L129 HydrophobicContact CD2-CB 4.41Å; L125-L129 HydrophobicContact CD2-CD2 3.79Å; L125-L129 HydrophobicContact CG-CD2 4.27Å; L125-W132 HydrophobicContact CB-CE3 3.96Å; L125-W132 HydrophobicContact CB-CH2 4Å; L125-W132 HydrophobicContact CB-CZ3 3.59Å; L125-W132 HydrophobicContact CD1-CD2 4.17Å; L125-W132 HydrophobicContact CD1-CE3 4.31Å; L125-W132 HydrophobicContact CD1-CH2 4.06Å; L125-W132 HydrophobicContact CD1-CZ2 3.92Å; L125-W132 HydrophobicContact CD1-CZ3 4.25Å; L125-W132 HydrophobicContact CG-CH2 4.49Å; L125-W132 HydrophobicContact CG-CZ3 4.48Å; L125-A152 HydrophobicContact CD1-CB 3.9Å; L125-R155 HydrophobicContact CD2-CB 3.97Å; L125-L159 HydrophobicContact CD2-CD1 4.01Å
126	N	98.7	Very high	98.5	Very high	44 Å²	44	56.4 Å²	56.4	24%	0.235	31%	0.312	C	S	.	.			trans	-69.7	162.3	179.5	-67.5	-30.6	0	0	0	110.9	D128 L129 S131 T133	N126-D128 PolarHBondContact O-N 3.28Å; N126-L129 PolarHBondContact O-N 3.23Å; N126-S131 WeakPolarHBondContact CB-O 3.44Å; N126-S131 PolarHBondContact N-O 2.84Å; N126-S131 PolarHBondContact ND2-O 3.49Å; N126-S131 PolarHBondContact ND2-OG 2.82Å; N126-T133 PolarHBondContact ND2-OG1 3.47Å; N126-T133 WeakPolarHBondContact OD1-CB 3.31Å; N126-T133 PolarHBondContact OD1-OG1 2.83Å
127	E	98	Very high	98.5	Very high	134 Å²	134	60.9 Å²	60.9	63%	0.626	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-21	180	-67.9	179.9	-163.9	0	0	113.7	R110 L129	R110-E127 VanDerWaalsContact CZ-CD 3.43Å; R110-E127 VanDerWaalsContact CZ-CG 3.5Å; R110-E127 IonicContact CZ-OE1 2.72Å; R110-E127 IonicContact NE-OE1 3.47Å; R110-E127 VanDerWaalsContact NH1-CD 3.32Å; R110-E127 IonicContact NH1-OE1 3.55Å; R110-E127 PolarHBondContact NH1-OE1 3.1Å; R110-E127 VanDerWaalsContact NH2-CG 3.28Å; R110-E127 IonicContact NH2-OE1 3.56Å; R110-E127 PolarHBondContact NH2-OE1 3.47Å; E127-L129 PolarHBondContact O-N 2.81Å
128	D	97.9	Very high	98.5	Very high	78 Å²	78	60.6 Å²	60.6	42%	0.417	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-9.8	174.3	69.7	5.1	0	0	0	113.9	N126 R130 S131	N126-D128 PolarHBondContact O-N 3.28Å; D128-R130 WeakPolarHBondContact O-CG 3.09Å; D128-R130 PolarHBondContact O-N 3.26Å; D128-R130 PolarHBondContact OD1-N 2.87Å; D128-S131 VanDerWaalsContact CG-OG 3.27Å; D128-S131 PolarHBondContact OD1-N 3.38Å; D128-S131 PolarHBondContact OD1-OG 2.87Å; D128-S131 WeakPolarHBondContact OD2-CB 3.42Å; D128-S131 PolarHBondContact OD2-OG 2.93Å
129	L	98.3	Very high	98.5	Very high	9 Å²	9	57.6 Å²	57.6	5%	0.047	32%	0.322	C	S	.	.	S	Bend	trans	53.8	29.3	-174.8	-52.5	-178.4	0	0	0	113.5	L108 L125 N126 E127 R156 L159 E160	L108-L129 HydrophobicContact CD2-CD1 4.21Å; L125-L129 HydrophobicContact CD2-CB 4.41Å; L125-L129 HydrophobicContact CD2-CD2 3.79Å; L125-L129 HydrophobicContact CG-CD2 4.27Å; N126-L129 PolarHBondContact O-N 3.23Å; E127-L129 PolarHBondContact O-N 2.81Å; L129-R156 HydrophobicContact CB-CB 4.01Å; L129-R156 HydrophobicContact CB-CG 3.81Å; L129-R156 HydrophobicContact CD1-CG 4.2Å; L129-L159 HydrophobicContact CD1-CB 4.44Å; L129-L159 HydrophobicContact CD2-CD1 3.95Å; L129-E160 HydrophobicContact CD1-CG 4.29Å
130	R	97.9	Very high	98.5	Very high	166 Å²	166	58.4 Å²	58.4	63%	0.626	31%	0.31	S	S	*	.	S	Bend	trans	-136	-29.8	-174.1	-70.3	173.1	-171.3	-140.5	7.2	113.1	D128 A152	D128-R130 WeakPolarHBondContact O-CG 3.09Å; D128-R130 PolarHBondContact O-N 3.26Å; D128-R130 PolarHBondContact OD1-N 2.87Å; R130-A152 WeakPolarHBondContact O-CB 3.23Å
131	S	98.2	Very high	98.5	Very high	39 Å²	39	53.5 Å²	53.5	27%	0.273	29%	0.291	S	S	.	.			trans	-120	160.7	-177	64.2	0	0	0	0	111.8	N126 D128	N126-S131 WeakPolarHBondContact CB-O 3.44Å; N126-S131 PolarHBondContact N-O 2.84Å; N126-S131 PolarHBondContact ND2-O 3.49Å; N126-S131 PolarHBondContact ND2-OG 2.82Å; D128-S131 VanDerWaalsContact CG-OG 3.27Å; D128-S131 PolarHBondContact OD1-N 3.38Å; D128-S131 PolarHBondContact OD1-OG 2.87Å; D128-S131 WeakPolarHBondContact OD2-CB 3.42Å; D128-S131 PolarHBondContact OD2-OG 2.93Å
132	W	98.8	Very high	98.5	Very high	11 Å²	11	48.4 Å²	48.4	4%	0.042	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	145.1	-178	-60.2	92.6	0	0	0	111	I123 A124 L125 Q143 W146 E151 A152 R155	I123-W132 HydrophobicContact CD1-CB 4.15Å; I123-W132 HydrophobicContact CD1-CD2 4.4Å; I123-W132 HydrophobicContact CD1-CE3 4.25Å; I123-W132 HydrophobicContact CD1-CG 4.37Å; I123-W132 HydrophobicContact CG1-CB 4.22Å; I123-W132 HydrophobicContact CG1-CE3 4.06Å; A124-W132 VanDerWaalsContact C-CE3 3.49Å; A124-W132 CarbonylContact O-C 3.54Å; A124-W132 WeakPolarHBondContact O-CA 3.49Å; L125-W132 HydrophobicContact CB-CE3 3.96Å; L125-W132 HydrophobicContact CB-CH2 4Å; L125-W132 HydrophobicContact CB-CZ3 3.59Å; L125-W132 HydrophobicContact CD1-CD2 4.17Å; L125-W132 HydrophobicContact CD1-CE3 4.31Å; L125-W132 HydrophobicContact CD1-CH2 4.06Å; L125-W132 HydrophobicContact CD1-CZ2 3.92Å; L125-W132 HydrophobicContact CD1-CZ3 4.25Å; L125-W132 HydrophobicContact CG-CH2 4.49Å; L125-W132 HydrophobicContact CG-CZ3 4.48Å; W132-Q143 HydrophobicContact CB-CG 4.14Å; W132-Q143 PolarHBondContact O-NE2 2.86Å; W132-W146 AromaticContact CD2-CE3 3.87Å; W132-W146 HydrophobicContact CD2-CE3 3.87Å; W132-W146 HydrophobicContact CD2-CZ3 4.36Å; W132-W146 AromaticContact CE2-CE3 3.69Å; W132-W146 AromaticContact CE3-CE3 3.79Å; W132-W146 HydrophobicContact CE3-CE3 3.79Å; W132-W146 AromaticContact CE3-CZ3 3.8Å; W132-W146 HydrophobicContact CE3-CZ3 3.8Å; W132-W146 AromaticContact CH2-CE3 3.44Å; W132-W146 HydrophobicContact CH2-CE3 3.44Å; W132-W146 VanDerWaalsContact CH2-CE3 3.44Å; W132-W146 AromaticContact CH2-CZ3 3.41Å; W132-W146 HydrophobicContact CH2-CZ3 3.41Å; W132-W146 VanDerWaalsContact CH2-CZ3 3.41Å; W132-W146 HydrophobicContact CZ2-CD2 4.38Å; W132-W146 AromaticContact CZ2-CE3 3.49Å; W132-W146 HydrophobicContact CZ2-CE3 3.49Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.49Å; W132-W146 AromaticContact CZ2-CZ3 3.99Å; W132-W146 HydrophobicContact CZ2-CZ3 3.99Å; W132-W146 AromaticContact CZ3-CE3 3.6Å; W132-W146 HydrophobicContact CZ3-CE3 3.6Å; W132-W146 AromaticContact CZ3-CZ3 3.31Å; W132-W146 HydrophobicContact CZ3-CZ3 3.31Å; W132-E151 HydrophobicContact CZ2-CB 4.27Å; W132-A152 HydrophobicContact CZ2-CB 4.3Å; W132-R155 HydrophobicContact CH2-CG 4.44Å
133	T	98.8	Very high	98.5	Very high	80 Å²	80	49.9 Å²	49.9	49%	0.491	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	116.6	164.5	-67	0	0	0	0	108.8	I123 A124 N126	I123-T133 WeakPolarHBondContact CA-O 3.33Å; A124-T133 PolarHBondContact N-O 2.91Å; A124-T133 PolarHBondContact O-N 2.88Å; N126-T133 PolarHBondContact ND2-OG1 3.47Å; N126-T133 WeakPolarHBondContact OD1-CB 3.31Å; N126-T133 PolarHBondContact OD1-OG1 2.83Å
134	A	98.7	Very high	98.5	Very high	21 Å²	21	57 Å²	57	17%	0.174	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	131.2	175	0	0	0	0	0	110.4	A139 Q140 Q143	A134-A139 HydrophobicContact CB-CB 3.72Å; A134-Q140 HydrophobicContact CB-CG 3.91Å; A134-Q143 HydrophobicContact CB-CB 4.43Å
135	A	98.6	Very high	98.5	Very high	60 Å²	60	60.9 Å²	60.9	50%	0.496	31%	0.309	S	S	.	.	S	Bend	trans	-73.5	-31.1	-176.3	0	0	0	0	0	113.4	D121 Y122	D121-A135 HydrophobicContact CB-CB 4.46Å; D121-A135 WeakPolarHBondContact O-CB 3.37Å; Y122-A135 WeakPolarHBondContact O-CB 3.17Å; Y122-A135 PolarHBondContact O-N 2.91Å
136	D	98.4	Very high	98.5	Very high	51 Å²	51	62.8 Å²	62.8	27%	0.273	32%	0.316	S	S	.	.	S	Bend	trans	-152	-175.2	-178.3	66.7	28.6	0	0	0	113	Y84 A138 A139 Q140	Y84-D136 VanDerWaalsContact CE1-OD2 3.23Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.22Å; Y84-D136 VanDerWaalsContact OH-CG 3.27Å; Y84-D136 PolarHBondContact OH-OD1 2.79Å; Y84-D136 PolarHBondContact OH-OD2 3.01Å; D136-A138 VanDerWaalsContact C-N 3.28Å; D136-A138 PolarHBondContact O-N 2.88Å; D136-A138 WeakPolarHBondContact OD1-CA 3.32Å; D136-A138 WeakPolarHBondContact OD1-CB 3.3Å; D136-A138 PolarHBondContact OD1-N 2.69Å; D136-A139 PolarHBondContact O-N 3.03Å; D136-A139 PolarHBondContact OD1-N 2.9Å; D136-Q140 WeakPolarHBondContact O-CG 3.01Å; D136-Q140 PolarHBondContact O-N 2.73Å
137	T	98.4	Very high	98.5	Very high	110 Å²	110	65.5 Å²	65.5	68%	0.675	33%	0.327	S	S	*	.	H	α-helix	trans	-65.5	-26.9	-179.5	51.6	0	0	0	0	114
138	A	98.4	Very high	98.5	Very high	5 Å²	5	63.3 Å²	63.3	4%	0.041	33%	0.332	C	S	.	.	H	α-helix	trans	-72.8	-45.3	174.9	0	0	0	0	0	109.9	Y84 Y122 D136 Q140 I141	Y84-A138 HydrophobicContact CD1-CB 4.26Å; Y84-A138 HydrophobicContact CD2-CB 4.39Å; Y84-A138 HydrophobicContact CE1-CB 3.72Å; Y84-A138 HydrophobicContact CE2-CB 3.86Å; Y122-A138 HydrophobicContact CE2-CB 4.37Å; Y122-A138 PolarHBondContact OH-O 3.32Å; D136-A138 VanDerWaalsContact C-N 3.28Å; D136-A138 PolarHBondContact O-N 2.88Å; D136-A138 WeakPolarHBondContact OD1-CA 3.32Å; D136-A138 WeakPolarHBondContact OD1-CB 3.3Å; D136-A138 PolarHBondContact OD1-N 2.69Å; A138-Q140 VanDerWaalsContact C-N 3.27Å; A138-Q140 PolarHBondContact O-N 3.4Å; A138-I141 VanDerWaalsContact O-CB 3.26Å; A138-I141 WeakPolarHBondContact O-CB 3.25Å; A138-I141 PolarHBondContact O-N 3.42Å
139	A	98.6	Very high	98.5	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60.2	-34.1	174.3	0	0	0	0	0	113.3	Y122 A134 D136 I141 T142 Q143	Y122-A139 HydrophobicContact CD2-CB 3.85Å; Y122-A139 HydrophobicContact CE1-CB 4.38Å; Y122-A139 HydrophobicContact CE2-CB 3.71Å; Y122-A139 HydrophobicContact CG-CB 4.25Å; Y122-A139 WeakPolarHBondContact O-CB 3.23Å; A134-A139 HydrophobicContact CB-CB 3.72Å; D136-A139 PolarHBondContact O-N 3.03Å; D136-A139 PolarHBondContact OD1-N 2.9Å; A139-I141 PolarHBondContact O-N 2.96Å; A139-T142 WeakPolarHBondContact O-CB 3.31Å; A139-T142 PolarHBondContact O-N 3.11Å; A139-Q143 PolarHBondContact O-N 2.92Å
140	Q	98.8	Very high	98.5	Very high	75 Å²	75	69 Å²	69	35%	0.35	36%	0.358	S	S	.	.	H	α-helix	trans	-60.7	-27.1	173.3	-73.5	173.8	9.1	0	0	113.1	A134 D136 A138 R144	A134-Q140 HydrophobicContact CB-CG 3.91Å; D136-Q140 WeakPolarHBondContact O-CG 3.01Å; D136-Q140 PolarHBondContact O-N 2.73Å; A138-Q140 VanDerWaalsContact C-N 3.27Å; A138-Q140 PolarHBondContact O-N 3.4Å; Q140-R144 WeakPolarHBondContact O-CG 3.4Å; Q140-R144 PolarHBondContact O-N 3.22Å; Q140-R144 VanDerWaalsContact O-N 3.13Å
141	I	98.6	Very high	98.5	Very high	59 Å²	59	63.6 Å²	63.6	30%	0.303	34%	0.34	S	S	.	.	H	α-helix	trans	-67.3	-45.3	173.6	-57.8	170.6	0	0	0	109.6	Y83 A138 A139 K145	Y83-I141 HydrophobicContact CD1-CD1 4.03Å; Y83-I141 HydrophobicContact CE1-CD1 4.34Å; Y83-I141 HydrophobicContact CE1-CG2 3.98Å; Y83-I141 HydrophobicContact CE2-CB 4.33Å; Y83-I141 HydrophobicContact CE2-CG2 4.24Å; Y83-I141 HydrophobicContact CG-CD1 4.18Å; A138-I141 VanDerWaalsContact O-CB 3.26Å; A138-I141 WeakPolarHBondContact O-CB 3.25Å; A138-I141 PolarHBondContact O-N 3.42Å; A139-I141 PolarHBondContact O-N 2.96Å; I141-K145 WeakPolarHBondContact O-CG 3.35Å; I141-K145 PolarHBondContact O-N 2.95Å
142	T	98.6	Very high	98.5	Very high	16 Å²	16	62.1 Å²	62.1	10%	0.098	33%	0.33	C	S	.	.	H	α-helix	trans	-62.7	-45.7	174.3	-68.3	0	0	0	0	111.2	Y122 I123 A139 R144 K145 W146	Y122-T142 HydrophobicContact CE1-CG2 4.23Å; Y122-T142 PolarHBondContact OH-OG1 2.96Å; I123-T142 HydrophobicContact CD1-CG2 4.12Å; A139-T142 WeakPolarHBondContact O-CB 3.31Å; A139-T142 PolarHBondContact O-N 3.11Å; T142-R144 PolarHBondContact O-N 3Å; T142-K145 WeakPolarHBondContact O-CB 3.22Å; T142-K145 PolarHBondContact O-N 3.1Å; T142-W146 HydrophobicContact CG2-CD2 3.66Å; T142-W146 VanDerWaalsContact CG2-CE2 3.5Å; T142-W146 HydrophobicContact CG2-CE3 4.1Å; T142-W146 HydrophobicContact CG2-CG 4.09Å; T142-W146 HydrophobicContact CG2-CH2 4.22Å; T142-W146 HydrophobicContact CG2-CZ2 3.81Å; T142-W146 HydrophobicContact CG2-CZ3 4.35Å; T142-W146 PolarHBondContact O-N 3.34Å
143	Q	98.7	Very high	98.5	Very high	41 Å²	41	66.8 Å²	66.8	19%	0.192	35%	0.352	C	S	.	.	H	α-helix	trans	-51.9	-51.7	177.7	177.5	173.4	12.6	0	0	111.8	I123 W132 A134 A139 K145 W146 E147	I123-Q143 HydrophobicContact CD1-CB 3.87Å; W132-Q143 HydrophobicContact CB-CG 4.14Å; W132-Q143 PolarHBondContact O-NE2 2.86Å; A134-Q143 HydrophobicContact CB-CB 4.43Å; A139-Q143 PolarHBondContact O-N 2.92Å; Q143-K145 VanDerWaalsContact C-N 3.29Å; Q143-K145 PolarHBondContact O-N 3.01Å; Q143-W146 PolarHBondContact O-N 2.87Å; Q143-W146 VanDerWaalsContact O-N 3.17Å; Q143-E147 HydrophobicContact CG-CG 4.28Å; Q143-E147 VanDerWaalsContact CG-OE1 3.25Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.45Å; Q143-E147 PolarHBondContact NE2-OE1 3.4Å; Q143-E147 WeakPolarHBondContact O-CB 2.99Å; Q143-E147 WeakPolarHBondContact O-CG 3.42Å; Q143-E147 PolarHBondContact O-N 3.45Å
144	R	98.8	Very high	98.4	Very high	154 Å²	154	68.7 Å²	68.7	58%	0.581	36%	0.355	S	S	*	.	H	α-helix	trans	-60	-38.5	179.2	-69.1	171	-165.7	140.7	8.2	112.6	Q140 T142 A148	Q140-R144 WeakPolarHBondContact O-CG 3.4Å; Q140-R144 PolarHBondContact O-N 3.22Å; Q140-R144 VanDerWaalsContact O-N 3.13Å; T142-R144 PolarHBondContact O-N 3Å; R144-A148 WeakPolarHBondContact O-CB 3.15Å; R144-A148 PolarHBondContact O-N 2.72Å
145	K	98.4	Very high	98.4	Very high	112 Å²	112	70.9 Å²	70.9	49%	0.487	36%	0.359	S	S	.	.	H	α-helix	trans	-65.4	-45.5	176.6	-71.2	178.1	176	-174.2	0	111	Y83 I141 T142 Q143 A148 A149	Y83-K145 PolarHBondContact OH-NZ 3.44Å; I141-K145 WeakPolarHBondContact O-CG 3.35Å; I141-K145 PolarHBondContact O-N 2.95Å; T142-K145 WeakPolarHBondContact O-CB 3.22Å; T142-K145 PolarHBondContact O-N 3.1Å; Q143-K145 VanDerWaalsContact C-N 3.29Å; Q143-K145 PolarHBondContact O-N 3.01Å; K145-A148 PolarHBondContact O-N 3.1Å; K145-A149 WeakPolarHBondContact O-CB 3.49Å; K145-A149 PolarHBondContact O-N 2.82Å
146	W	98.5	Very high	98.4	Very high	54 Å²	54	71.5 Å²	71.5	21%	0.205	35%	0.349	C	S	.	.	H	α-helix	trans	-70.4	-35.3	-178.8	-74.1	3.5	0	0	0	113	Y115 I123 W132 T142 Q143 A149 R150 E151	Y115-W146 AromaticContact CD2-CH2 3.73Å; Y115-W146 HydrophobicContact CD2-CH2 3.73Å; Y115-W146 HydrophobicContact CD2-CZ3 4.18Å; Y115-W146 AromaticContact CE2-CH2 3.42Å; Y115-W146 HydrophobicContact CE2-CH2 3.42Å; Y115-W146 VanDerWaalsContact CE2-CH2 3.42Å; Y115-W146 HydrophobicContact CE2-CZ2 4.48Å; Y115-W146 AromaticContact CE2-CZ3 3.97Å; Y115-W146 HydrophobicContact CE2-CZ3 3.97Å; Y115-W146 HydrophobicContact CG-CH2 4.46Å; Y115-W146 AromaticContact CZ-CH2 3.88Å; I123-W146 HydrophobicContact CD1-CE3 4.08Å; I123-W146 HydrophobicContact CD1-CZ3 4.27Å; I123-W146 HydrophobicContact CG2-CE3 4.44Å; I123-W146 HydrophobicContact CG2-CH2 3.95Å; I123-W146 HydrophobicContact CG2-CZ3 3.62Å; W132-W146 AromaticContact CD2-CE3 3.87Å; W132-W146 HydrophobicContact CD2-CE3 3.87Å; W132-W146 HydrophobicContact CD2-CZ3 4.36Å; W132-W146 AromaticContact CE2-CE3 3.69Å; W132-W146 AromaticContact CE3-CE3 3.79Å; W132-W146 HydrophobicContact CE3-CE3 3.79Å; W132-W146 AromaticContact CE3-CZ3 3.8Å; W132-W146 HydrophobicContact CE3-CZ3 3.8Å; W132-W146 AromaticContact CH2-CE3 3.44Å; W132-W146 HydrophobicContact CH2-CE3 3.44Å; W132-W146 VanDerWaalsContact CH2-CE3 3.44Å; W132-W146 AromaticContact CH2-CZ3 3.41Å; W132-W146 HydrophobicContact CH2-CZ3 3.41Å; W132-W146 VanDerWaalsContact CH2-CZ3 3.41Å; W132-W146 HydrophobicContact CZ2-CD2 4.38Å; W132-W146 AromaticContact CZ2-CE3 3.49Å; W132-W146 HydrophobicContact CZ2-CE3 3.49Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.49Å; W132-W146 AromaticContact CZ2-CZ3 3.99Å; W132-W146 HydrophobicContact CZ2-CZ3 3.99Å; W132-W146 AromaticContact CZ3-CE3 3.6Å; W132-W146 HydrophobicContact CZ3-CE3 3.6Å; W132-W146 AromaticContact CZ3-CZ3 3.31Å; W132-W146 HydrophobicContact CZ3-CZ3 3.31Å; T142-W146 HydrophobicContact CG2-CD2 3.66Å; T142-W146 VanDerWaalsContact CG2-CE2 3.5Å; T142-W146 HydrophobicContact CG2-CE3 4.1Å; T142-W146 HydrophobicContact CG2-CG 4.09Å; T142-W146 HydrophobicContact CG2-CH2 4.22Å; T142-W146 HydrophobicContact CG2-CZ2 3.81Å; T142-W146 HydrophobicContact CG2-CZ3 4.35Å; T142-W146 PolarHBondContact O-N 3.34Å; Q143-W146 PolarHBondContact O-N 2.87Å; Q143-W146 VanDerWaalsContact O-N 3.17Å; W146-A149 CarbonylContact O-C 3.54Å; W146-A149 PolarHBondContact O-N 3.15Å; W146-R150 WeakPolarHBondContact O-CA 3.24Å; W146-R150 PolarHBondContact O-N 2.89Å; W146-E151 HydrophobicContact CB-CB 3.96Å; W146-E151 HydrophobicContact CB-CG 3.86Å; W146-E151 HydrophobicContact CD2-CG 4.46Å; W146-E151 HydrophobicContact CG-CB 4.12Å; W146-E151 HydrophobicContact CG-CG 3.78Å; W146-E151 PolarHBondContact O-N 3.39Å
147	E	98.5	Very high	98.4	Very high	100 Å²	100	72.2 Å²	72.2	47%	0.467	36%	0.362	S	S	.	.	H	α-helix	trans	-64.5	-45.5	171.3	-73.8	170.5	174.6	0	0	111.2	Q143 A149 R150	Q143-E147 HydrophobicContact CG-CG 4.28Å; Q143-E147 VanDerWaalsContact CG-OE1 3.25Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.45Å; Q143-E147 PolarHBondContact NE2-OE1 3.4Å; Q143-E147 WeakPolarHBondContact O-CB 2.99Å; Q143-E147 WeakPolarHBondContact O-CG 3.42Å; Q143-E147 PolarHBondContact O-N 3.45Å; E147-A149 VanDerWaalsContact C-N 3.29Å; E147-A149 PolarHBondContact O-N 3.4Å; E147-R150 PolarHBondContact O-N 2.94Å; E147-R150 VanDerWaalsContact O-N 3.16Å
148	A	98.4	Very high	98.4	Very high	88 Å²	88	69.4 Å²	69.4	73%	0.727	34%	0.339	S	S	*	.	H	α-helix	trans	-63.1	-35.4	176.7	0	0	0	0	0	112.7	R144 K145	R144-A148 WeakPolarHBondContact O-CB 3.15Å; R144-A148 PolarHBondContact O-N 2.72Å; K145-A148 PolarHBondContact O-N 3.1Å
149	A	98.2	Very high	98.4	Very high	52 Å²	52	69.2 Å²	69.2	43%	0.43	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-2.6	177	0	0	0	0	0	114.1	K145 W146 E147 E151	K145-A149 WeakPolarHBondContact O-CB 3.49Å; K145-A149 PolarHBondContact O-N 2.82Å; W146-A149 CarbonylContact O-C 3.54Å; W146-A149 PolarHBondContact O-N 3.15Å; E147-A149 VanDerWaalsContact C-N 3.29Å; E147-A149 PolarHBondContact O-N 3.4Å; A149-E151 VanDerWaalsContact C-N 3.27Å; A149-E151 HydrophobicContact CB-CG 4.09Å; A149-E151 PolarHBondContact O-N 2.79Å
150	R	98.1	Very high	98.4	Very high	155 Å²	155	73.6 Å²	73.6	59%	0.585	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	38.4	-176.9	-58.6	176.6	170.4	-134.7	7.2	113.9	W146 E147 A152 E153	W146-R150 WeakPolarHBondContact O-CA 3.24Å; W146-R150 PolarHBondContact O-N 2.89Å; E147-R150 PolarHBondContact O-N 2.94Å; E147-R150 VanDerWaalsContact O-N 3.16Å; R150-A152 PolarHBondContact O-N 2.81Å; R150-E153 HydrophobicContact CB-CG 4.24Å; R150-E153 WeakPolarHBondContact CD-OE1 3.19Å; R150-E153 IonicContact CZ-OE1 3.57Å; R150-E153 IonicContact NE-OE1 2.77Å; R150-E153 IonicContact NH1-OE1 2.81Å; R150-E153 PolarHBondContact NH1-OE1 3.36Å; R150-E153 IonicContact NH1-OE2 3.73Å; R150-E153 WeakPolarHBondContact O-CB 3.37Å; R150-E153 PolarHBondContact O-N 3.29Å
151	E	98	Very high	98.4	Very high	52 Å²	52	71 Å²	71	24%	0.243	35%	0.351	C	S	.	.	H	α-helix	trans	-58.6	-33.6	-177.7	-67.5	-65.7	167.8	0	0	112.8	W132 W146 A149 E153 Q154 R155	W132-E151 HydrophobicContact CZ2-CB 4.27Å; W146-E151 HydrophobicContact CB-CB 3.96Å; W146-E151 HydrophobicContact CB-CG 3.86Å; W146-E151 HydrophobicContact CD2-CG 4.46Å; W146-E151 HydrophobicContact CG-CB 4.12Å; W146-E151 HydrophobicContact CG-CG 3.78Å; W146-E151 PolarHBondContact O-N 3.39Å; A149-E151 VanDerWaalsContact C-N 3.27Å; A149-E151 HydrophobicContact CB-CG 4.09Å; A149-E151 PolarHBondContact O-N 2.79Å; E151-E153 PolarHBondContact O-N 3.38Å; E151-Q154 PolarHBondContact O-N 3.15Å; E151-Q154 VanDerWaalsContact O-N 3.15Å; E151-R155 WeakPolarHBondContact O-CG 3.44Å; E151-R155 PolarHBondContact O-N 3.06Å
152	A	98.4	Very high	98.4	Very high	8 Å²	8	72 Å²	72	7%	0.066	36%	0.355	C	S	.	.	H	α-helix	trans	-59.7	-34.4	177.3	0	0	0	0	0	112.6	L125 R130 W132 R150 R155 R156	L125-A152 HydrophobicContact CD1-CB 3.9Å; R130-A152 WeakPolarHBondContact O-CB 3.23Å; W132-A152 HydrophobicContact CZ2-CB 4.3Å; R150-A152 PolarHBondContact O-N 2.81Å; A152-R155 PolarHBondContact O-N 3.01Å; A152-R156 WeakPolarHBondContact O-CB 3.5Å; A152-R156 PolarHBondContact O-N 2.81Å
153	E	98.3	Very high	98.4	Very high	109 Å²	109	71.2 Å²	71.2	51%	0.509	35%	0.35	S	S	.	.	H	α-helix	trans	-65.6	-40.7	177.8	-63.6	178.4	-168.8	0	0	111.2	R150 E151 A157	R150-E153 HydrophobicContact CB-CG 4.24Å; R150-E153 WeakPolarHBondContact CD-OE1 3.19Å; R150-E153 IonicContact CZ-OE1 3.57Å; R150-E153 IonicContact NE-OE1 2.77Å; R150-E153 IonicContact NH1-OE1 2.81Å; R150-E153 PolarHBondContact NH1-OE1 3.36Å; R150-E153 IonicContact NH1-OE2 3.73Å; R150-E153 WeakPolarHBondContact O-CB 3.37Å; R150-E153 PolarHBondContact O-N 3.29Å; E151-E153 PolarHBondContact O-N 3.38Å; E153-A157 WeakPolarHBondContact O-CB 3.4Å; E153-A157 PolarHBondContact O-N 3.46Å
154	Q	97.5	Very high	98.4	Very high	120 Å²	120	69.6 Å²	69.6	56%	0.561	34%	0.343	S	S	*	.	H	α-helix	trans	-68.3	-45.4	177.3	-63.2	-177.5	57.6	0	0	111.5	E151 R156 A157 Y158	E151-Q154 PolarHBondContact O-N 3.15Å; E151-Q154 VanDerWaalsContact O-N 3.15Å; Q154-R156 VanDerWaalsContact C-N 3.34Å; Q154-R156 PolarHBondContact O-N 2.61Å; Q154-A157 PolarHBondContact O-N 2.88Å; Q154-Y158 PolarHBondContact O-N 3.3Å; Q154-Y158 VanDerWaalsContact O-N 3.11Å
155	R	98.1	Very high	98.4	Very high	68 Å²	68	68.4 Å²	68.4	26%	0.257	34%	0.344	S	S	.	.	H	α-helix	trans	-61.2	-44.1	176.7	-67.3	-60.4	-170.1	-153.3	-6.5	111.6	D113 Y115 L125 W132 E151 A152 A157 Y158 L159	D113-R155 WeakPolarHBondContact OD2-CD 3.25Å; D113-R155 VanDerWaalsContact OD2-CG 3.28Å; D113-R155 WeakPolarHBondContact OD2-CG 3.42Å; D113-R155 IonicContact OD2-CZ 2.79Å; D113-R155 IonicContact OD2-NE 4Å; D113-R155 PolarHBondContact OD2-NE 2.77Å; Y115-R155 PolarHBondContact OH-NH2 3.49Å; L125-R155 HydrophobicContact CD2-CB 3.97Å; W132-R155 HydrophobicContact CH2-CG 4.44Å; E151-R155 WeakPolarHBondContact O-CG 3.44Å; E151-R155 PolarHBondContact O-N 3.06Å; A152-R155 PolarHBondContact O-N 3.01Å; R155-A157 PolarHBondContact O-N 3.25Å; R155-Y158 PolarHBondContact O-N 2.9Å; R155-L159 WeakPolarHBondContact O-CB 3.34Å; R155-L159 WeakPolarHBondContact O-CG 3.4Å; R155-L159 PolarHBondContact O-N 3.14Å
156	R	98.6	Very high	98.4	Very high	72 Å²	72	66.2 Å²	66.2	27%	0.272	33%	0.333	S	S	.	.	H	α-helix	trans	-60.1	-45.2	175.5	-175.7	172.9	179.9	-135.7	-15.3	112.4	L129 A152 Q154 Y158 L159 E160	L129-R156 HydrophobicContact CB-CB 4.01Å; L129-R156 HydrophobicContact CB-CG 3.81Å; L129-R156 HydrophobicContact CD1-CG 4.2Å; A152-R156 WeakPolarHBondContact O-CB 3.5Å; A152-R156 PolarHBondContact O-N 2.81Å; Q154-R156 VanDerWaalsContact C-N 3.34Å; Q154-R156 PolarHBondContact O-N 2.61Å; R156-Y158 VanDerWaalsContact C-N 3.31Å; R156-Y158 PolarHBondContact O-N 3.3Å; R156-L159 PolarHBondContact O-N 3.39Å; R156-E160 HydrophobicContact CG-CG 4.13Å; R156-E160 IonicContact CZ-OE1 3.91Å; R156-E160 VanDerWaalsContact CZ-OE1 3.28Å; R156-E160 IonicContact CZ-OE2 2.9Å; R156-E160 IonicContact NE-OE1 3.33Å; R156-E160 PolarHBondContact NE-OE1 3.02Å; R156-E160 IonicContact NE-OE2 3.28Å; R156-E160 PolarHBondContact NE-OE2 2.96Å; R156-E160 IonicContact NH2-OE1 3.64Å; R156-E160 PolarHBondContact NH2-OE1 2.82Å; R156-E160 IonicContact NH2-OE2 3.69Å; R156-E160 PolarHBondContact NH2-OE2 3.25Å; R156-E160 WeakPolarHBondContact O-CB 3.49Å; R156-E160 PolarHBondContact O-N 3.2Å
157	A	98.6	Very high	98.4	Very high	66 Å²	66	63.6 Å²	63.6	55%	0.545	32%	0.323	S	S	.	.	H	α-helix	trans	-59.6	-41.6	178.1	0	0	0	0	0	112.3	E153 Q154 R155 G161	E153-A157 WeakPolarHBondContact O-CB 3.4Å; E153-A157 PolarHBondContact O-N 3.46Å; Q154-A157 PolarHBondContact O-N 2.88Å; R155-A157 PolarHBondContact O-N 3.25Å; A157-G161 PolarHBondContact O-N 3.43Å
158	Y	98.6	Very high	98.4	Very high	52 Å²	52	64.3 Å²	64.3	20%	0.204	32%	0.321	C	S	.	.	H	α-helix	trans	-65.2	-47.8	174	171.3	-97.2	0	0	0	112.4	Y98 Q154 R155 R156 G161 E162 C163	Y98-Y158 AromaticContact CD2-CE1 3.81Å; Y98-Y158 HydrophobicContact CD2-CE1 3.81Å; Y98-Y158 AromaticContact CE2-CE1 3.67Å; Y98-Y158 HydrophobicContact CE2-CE1 3.67Å; Y98-Y158 AromaticContact CE2-CZ 3.95Å; Q154-Y158 PolarHBondContact O-N 3.3Å; Q154-Y158 VanDerWaalsContact O-N 3.11Å; R155-Y158 PolarHBondContact O-N 2.9Å; R156-Y158 VanDerWaalsContact C-N 3.31Å; R156-Y158 PolarHBondContact O-N 3.3Å; Y158-G161 CarbonylContact O-C 3.58Å; Y158-G161 PolarHBondContact O-N 3.47Å; Y158-E162 HydrophobicContact CD2-CB 3.8Å; Y158-E162 HydrophobicContact CE2-CB 3.98Å; Y158-E162 PolarHBondContact O-N 3.37Å; Y158-C163 HydrophobicContact CD1-CB 4.22Å; Y158-C163 HydrophobicContact CE1-CB 3.77Å; Y158-C163 WeakPolarHBondContact O-CB 3.42Å; Y158-C163 PolarHBondContact O-N 2.72Å
159	L	98.8	Very high	98.4	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-68.8	-36.8	-175.1	-70	170.5	0	0	0	112.9	G99 L125 L129 R155 R156 V164	G99-L159 WeakPolarHBondContact O-CD2 3.17Å; L125-L159 HydrophobicContact CD2-CD1 4.01Å; L129-L159 HydrophobicContact CD1-CB 4.44Å; L129-L159 HydrophobicContact CD2-CD1 3.95Å; R155-L159 WeakPolarHBondContact O-CB 3.34Å; R155-L159 WeakPolarHBondContact O-CG 3.4Å; R155-L159 PolarHBondContact O-N 3.14Å; R156-L159 PolarHBondContact O-N 3.39Å; L159-V164 WeakPolarHBondContact O-CG2 3.45Å
160	E	98.4	Very high	98.4	Very high	91 Å²	91	63.2 Å²	63.2	43%	0.425	29%	0.287	S	S	.	.	H	α-helix	trans	-81.1	-22.4	176	-69.3	-178.6	169.8	0	0	113	L108 L129 R156	L108-E160 HydrophobicContact CD2-CB 4.42Å; L108-E160 HydrophobicContact CD2-CG 3.68Å; L129-E160 HydrophobicContact CD1-CG 4.29Å; R156-E160 HydrophobicContact CG-CG 4.13Å; R156-E160 IonicContact CZ-OE1 3.91Å; R156-E160 VanDerWaalsContact CZ-OE1 3.28Å; R156-E160 IonicContact CZ-OE2 2.9Å; R156-E160 IonicContact NE-OE1 3.33Å; R156-E160 PolarHBondContact NE-OE1 3.02Å; R156-E160 IonicContact NE-OE2 3.28Å; R156-E160 PolarHBondContact NE-OE2 2.96Å; R156-E160 IonicContact NH2-OE1 3.64Å; R156-E160 PolarHBondContact NH2-OE1 2.82Å; R156-E160 IonicContact NH2-OE2 3.69Å; R156-E160 PolarHBondContact NH2-OE2 3.25Å; R156-E160 WeakPolarHBondContact O-CB 3.49Å; R156-E160 PolarHBondContact O-N 3.2Å
161	G	98.4	Very high	98.4	Very high	21 Å²	21	56.4 Å²	56.4	22%	0.216	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-98.1	-176.8	0	0	0	0	0	113.1	A157 Y158 C163 V164 E165	A157-G161 PolarHBondContact O-N 3.43Å; Y158-G161 CarbonylContact O-C 3.58Å; Y158-G161 PolarHBondContact O-N 3.47Å; G161-C163 VanDerWaalsContact C-N 3.27Å; G161-C163 PolarHBondContact O-N 3.25Å; G161-C163 VanDerWaalsContact O-N 3.15Å; G161-V164 PolarHBondContact O-N 2.98Å; G161-E165 WeakPolarHBondContact O-CG 3.42Å; G161-E165 PolarHBondContact O-N 2.77Å
162	E	98.4	Very high	98.4	Very high	79 Å²	79	59.1 Å²	59.1	37%	0.369	28%	0.275	S	S	.	.	H	α-helix	trans	-51.6	-41.9	-170.8	-72.3	-172.8	-131.6	0	0	113	R61 Y158 V164 E165 W166	R61-E162 IonicContact NH2-OE1 2.71Å; R61-E162 IonicContact NH2-OE2 3.43Å; R61-E162 PolarHBondContact NH2-OE2 3.23Å; R61-E162 VanDerWaalsContact NH2-OE2 3.14Å; Y158-E162 HydrophobicContact CD2-CB 3.8Å; Y158-E162 HydrophobicContact CE2-CB 3.98Å; Y158-E162 PolarHBondContact O-N 3.37Å; E162-V164 PolarHBondContact O-N 2.95Å; E162-E165 PolarHBondContact O-N 3.33Å; E162-W166 WeakPolarHBondContact O-CB 3.3Å; E162-W166 PolarHBondContact O-N 2.71Å
163	C	98.8	Very high	98.4	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-59.2	-49	179.7	-171.9	0	0	0	0	111.9	M4 C100 Y158 G161 L167	M4-C163 HydrophobicContact CE-CB 4.21Å; M4-C163 WeakPolarHBondContact CE-O 3.34Å; M4-C163 VanDerWaalsContact CE-SG 3.57Å; C100-C163 HydrophobicContact CB-CB 3.94Å; C100-C163 WeakPolarHBondContact CB-SG 3.14Å; C100-C163 PolarHBondContact N-SG 2.64Å; C100-C163 WeakPolarHBondContact SG-CB 3.34Å; C100-C163 PolarHBondContact SG-O 3.22Å; C100-C163 CovalentContact SG-SG 2.05Å; C100-C163 PolarHBondContact SG-SG 2.76Å; Y158-C163 HydrophobicContact CD1-CB 4.22Å; Y158-C163 HydrophobicContact CE1-CB 3.77Å; Y158-C163 WeakPolarHBondContact O-CB 3.42Å; Y158-C163 PolarHBondContact O-N 2.72Å; G161-C163 VanDerWaalsContact C-N 3.27Å; G161-C163 PolarHBondContact O-N 3.25Å; G161-C163 VanDerWaalsContact O-N 3.15Å; C163-L167 WeakPolarHBondContact O-CB 3.44Å; C163-L167 PolarHBondContact O-N 3.14Å
164	V	98.8	Very high	98.4	Very high	7 Å²	7	56.2 Å²	56.2	4%	0.042	26%	0.263	C	S	.	.	H	α-helix	trans	-69	-40.2	-178.6	172.4	0	0	0	0	110.9	C100 V102 G106 L108 L159 G161 E162 R168	C100-V164 HydrophobicContact CB-CG2 4.25Å; V102-V164 HydrophobicContact CG1-CB 4.47Å; V102-V164 HydrophobicContact CG1-CG1 4.04Å; V102-V164 HydrophobicContact CG1-CG2 4Å; G106-V164 WeakPolarHBondContact O-CG1 3.14Å; L108-V164 HydrophobicContact CB-CG2 4.06Å; L108-V164 HydrophobicContact CD1-CG2 3.82Å; L159-V164 WeakPolarHBondContact O-CG2 3.45Å; G161-V164 PolarHBondContact O-N 2.98Å; E162-V164 PolarHBondContact O-N 2.95Å; V164-R168 VanDerWaalsContact O-CG 3.29Å; V164-R168 WeakPolarHBondContact O-CG 3.43Å; V164-R168 PolarHBondContact O-N 3.08Å
165	E	98.6	Very high	98.3	Very high	130 Å²	130	55 Å²	55	61%	0.607	26%	0.256	S	S	*	.	H	α-helix	trans	-62.5	-47	178	-70.7	178.8	176.1	0	0	111.9	G161 E162 R168 R169	G161-E165 WeakPolarHBondContact O-CG 3.42Å; G161-E165 PolarHBondContact O-N 2.77Å; E162-E165 PolarHBondContact O-N 3.33Å; E165-R168 PolarHBondContact O-N 3.25Å; E165-R169 PolarHBondContact O-N 3.44Å; E165-R169 VanDerWaalsContact O-N 3.1Å
166	W	98.6	Very high	98.1	Very high	65 Å²	65	57.7 Å²	57.7	25%	0.246	28%	0.276	C	S	.	.	H	α-helix	trans	-67.2	-42.4	177.3	-81.8	109.7	0	0	0	112.4	M4 Y58 E162 R168 R169 Y170	M4-W166 HydrophobicContact CE-CB 4.1Å; M4-W166 HydrophobicContact SD-CB 4.49Å; Y58-W166 AromaticContact CD2-CH2 3.55Å; Y58-W166 HydrophobicContact CD2-CH2 3.55Å; Y58-W166 HydrophobicContact CD2-CZ2 4.08Å; Y58-W166 AromaticContact CD2-CZ3 3.97Å; Y58-W166 HydrophobicContact CD2-CZ3 3.97Å; Y58-W166 HydrophobicContact CE2-CE3 4.38Å; Y58-W166 AromaticContact CE2-CH2 3.86Å; Y58-W166 HydrophobicContact CE2-CH2 3.86Å; Y58-W166 HydrophobicContact CE2-CZ2 4.3Å; Y58-W166 AromaticContact CE2-CZ3 3.89Å; Y58-W166 HydrophobicContact CE2-CZ3 3.89Å; E162-W166 WeakPolarHBondContact O-CB 3.3Å; E162-W166 PolarHBondContact O-N 2.71Å; W166-R168 VanDerWaalsContact C-N 3.32Å; W166-R168 PolarHBondContact O-N 3.4Å; W166-R169 WeakPolarHBondContact O-CB 3.46Å; W166-R169 PolarHBondContact O-N 3.48Å; W166-R169 VanDerWaalsContact O-N 3.15Å; W166-Y170 HydrophobicContact CB-CE2 4Å; W166-Y170 HydrophobicContact CE3-CD1 4.36Å; W166-Y170 AromaticContact CE3-CE1 3.43Å; W166-Y170 HydrophobicContact CE3-CE1 3.43Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.43Å; W166-Y170 HydrophobicContact CE3-CE2 4.36Å; W166-Y170 AromaticContact CE3-CZ 3.43Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.43Å; W166-Y170 AromaticContact CZ3-CE1 3.84Å; W166-Y170 HydrophobicContact CZ3-CE1 3.84Å; W166-Y170 VanDerWaalsContact O-CD2 3.29Å; W166-Y170 WeakPolarHBondContact O-CD2 3.17Å; W166-Y170 PolarHBondContact O-N 3.21Å
167	L	98.8	Very high	97.8	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-57.7	-45.7	175.9	174.2	53	0	0	0	111.2	H2 M4 V27 V102 C163 R169 Y170 L171	H2-L167 HydrophobicContact CB-CD1 4.37Å; M4-L167 HydrophobicContact CB-CB 4.05Å; M4-L167 HydrophobicContact CB-CD1 4.02Å; M4-L167 HydrophobicContact CB-CD2 4.09Å; M4-L167 HydrophobicContact CB-CG 4.26Å; M4-L167 HydrophobicContact CE-CB 4.39Å; M4-L167 HydrophobicContact SD-CB 4.4Å; V27-L167 HydrophobicContact CG1-CD1 3.62Å; V27-L167 HydrophobicContact CG2-CD1 4.2Å; V102-L167 HydrophobicContact CB-CD2 4.36Å; V102-L167 HydrophobicContact CG1-CD2 3.95Å; V102-L167 HydrophobicContact CG2-CD2 3.58Å; V102-L167 HydrophobicContact CG2-CG 4.23Å; C163-L167 WeakPolarHBondContact O-CB 3.44Å; C163-L167 PolarHBondContact O-N 3.14Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 2.97Å; L167-Y170 PolarHBondContact O-N 2.85Å; L167-L171 HydrophobicContact CD1-CD1 4Å; L167-L171 HydrophobicContact CD1-CD2 4.43Å; L167-L171 HydrophobicContact CD1-CG 3.97Å; L167-L171 HydrophobicContact CG-CD1 4.12Å; L167-L171 VanDerWaalsContact O-CG 3.3Å; L167-L171 WeakPolarHBondContact O-CG 3.37Å; L167-L171 PolarHBondContact O-N 3.49Å
168	R	98.4	Very high	97.6	Very high	115 Å²	115	56 Å²	56	43%	0.434	26%	0.258	S	S	.	.	H	α-helix	trans	-60.3	-42.9	176	-72.4	172	-176.9	-176.6	4.2	112.4	G106 V164 E165 W166 Y170 L171 E172	G106-R168 VanDerWaalsContact C-NH2 3.26Å; G106-R168 PolarHBondContact O-NE 2.91Å; G106-R168 PolarHBondContact O-NH2 3.18Å; V164-R168 VanDerWaalsContact O-CG 3.29Å; V164-R168 WeakPolarHBondContact O-CG 3.43Å; V164-R168 PolarHBondContact O-N 3.08Å; E165-R168 PolarHBondContact O-N 3.25Å; W166-R168 VanDerWaalsContact C-N 3.32Å; W166-R168 PolarHBondContact O-N 3.4Å; R168-Y170 VanDerWaalsContact C-N 3.34Å; R168-L171 PolarHBondContact O-N 2.89Å; R168-E172 PolarHBondContact O-N 3.15Å; R168-E172 VanDerWaalsContact O-N 3.1Å
169	R	98.4	Very high	97.3	Very high	115 Å²	115	59.1 Å²	59.1	43%	0.434	27%	0.274	S	S	.	.	H	α-helix	trans	-61	-43.9	176	177.5	179.5	172.8	100.7	-7	111.3	E54 E165 W166 L167 E172 N173	E54-R169 IonicContact OE1-CZ 3.15Å; E54-R169 IonicContact OE1-NE 3.84Å; E54-R169 PolarHBondContact OE1-NE 2.88Å; E54-R169 IonicContact OE1-NH2 2.62Å; E54-R169 PolarHBondContact OE1-NH2 2.99Å; E54-R169 VanDerWaalsContact OE1-NH2 3.15Å; E54-R169 IonicContact OE2-CZ 2.71Å; E54-R169 IonicContact OE2-NE 3.25Å; E54-R169 IonicContact OE2-NH2 3.46Å; E54-R169 PolarHBondContact OE2-NH2 3.15Å; E165-R169 PolarHBondContact O-N 3.44Å; E165-R169 VanDerWaalsContact O-N 3.1Å; W166-R169 WeakPolarHBondContact O-CB 3.46Å; W166-R169 PolarHBondContact O-N 3.48Å; W166-R169 VanDerWaalsContact O-N 3.15Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 2.97Å; R169-E172 PolarHBondContact O-N 3.42Å; R169-N173 VanDerWaalsContact O-CB 3.24Å; R169-N173 WeakPolarHBondContact O-CB 3.33Å; R169-N173 PolarHBondContact O-N 3.23Å
170	Y	98.5	Very high	97.2	Very high	1 Å²	1	63.6 Å²	63.6	0%	0.004	29%	0.291	C	S	.	.	H	α-helix	trans	-66.4	-38.9	179.1	-61.1	-27.6	0	0	0	112.6	M4 V27 F32 W50 I51 Y58 W166 L167 R168 N173 G174 L178	M4-Y170 HydrophobicContact SD-CD2 3.7Å; M4-Y170 HydrophobicContact SD-CE2 3.53Å; M4-Y170 VanDerWaalsContact SD-CE2 3.53Å; V27-Y170 HydrophobicContact CG2-CD2 3.99Å; F32-Y170 HydrophobicContact CE2-CD2 4.36Å; F32-Y170 AromaticContact CE2-CE2 3.75Å; F32-Y170 HydrophobicContact CE2-CE2 3.75Å; F32-Y170 HydrophobicContact CZ-CD2 4.4Å; F32-Y170 AromaticContact CZ-CE2 3.9Å; F32-Y170 HydrophobicContact CZ-CE2 3.9Å; W50-Y170 HydrophobicContact CE3-CD1 4.26Å; W50-Y170 HydrophobicContact CE3-CG 4.43Å; W50-Y170 HydrophobicContact CH2-CD2 4.4Å; W50-Y170 HydrophobicContact CH2-CG 4.09Å; W50-Y170 AromaticContact CZ3-CD1 3.63Å; W50-Y170 HydrophobicContact CZ3-CD1 3.63Å; W50-Y170 HydrophobicContact CZ3-CD2 4.18Å; W50-Y170 HydrophobicContact CZ3-CE1 4.35Å; W50-Y170 AromaticContact CZ3-CG 3.54Å; W50-Y170 HydrophobicContact CZ3-CG 3.54Å; I51-Y170 HydrophobicContact CD1-CD1 3.89Å; I51-Y170 HydrophobicContact CD1-CE1 3.26Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.25Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.43Å; Y58-Y170 PolarHBondContact OH-OH 2.93Å; W166-Y170 HydrophobicContact CB-CE2 4Å; W166-Y170 HydrophobicContact CE3-CD1 4.36Å; W166-Y170 AromaticContact CE3-CE1 3.43Å; W166-Y170 HydrophobicContact CE3-CE1 3.43Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.43Å; W166-Y170 HydrophobicContact CE3-CE2 4.36Å; W166-Y170 AromaticContact CE3-CZ 3.43Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.43Å; W166-Y170 AromaticContact CZ3-CE1 3.84Å; W166-Y170 HydrophobicContact CZ3-CE1 3.84Å; W166-Y170 VanDerWaalsContact O-CD2 3.29Å; W166-Y170 WeakPolarHBondContact O-CD2 3.17Å; W166-Y170 PolarHBondContact O-N 3.21Å; L167-Y170 PolarHBondContact O-N 2.85Å; R168-Y170 VanDerWaalsContact C-N 3.34Å; Y170-N173 PolarHBondContact O-N 3.35Å; Y170-G174 WeakPolarHBondContact O-CA 3.46Å; Y170-G174 PolarHBondContact O-N 3.3Å; Y170-L178 WeakPolarHBondContact O-CD1 3.31Å
171	L	98.3	Very high	97.2	Very high	13 Å²	13	60.8 Å²	60.8	7%	0.068	28%	0.284	C	S	.	.	H	α-helix	trans	-60.4	-46.8	174.1	-69.3	169.5	0	0	0	111.6	H2 V27 L167 R168 G174 K175 L178	H2-L171 HydrophobicContact CB-CD1 3.77Å; H2-L171 HydrophobicContact CB-CD2 4Å; H2-L171 HydrophobicContact CB-CG 4.46Å; H2-L171 VanDerWaalsContact CG-CD2 3.49Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.25Å; V27-L171 HydrophobicContact CG1-CD2 4.13Å; L167-L171 HydrophobicContact CD1-CD1 4Å; L167-L171 HydrophobicContact CD1-CD2 4.43Å; L167-L171 HydrophobicContact CD1-CG 3.97Å; L167-L171 HydrophobicContact CG-CD1 4.12Å; L167-L171 VanDerWaalsContact O-CG 3.3Å; L167-L171 WeakPolarHBondContact O-CG 3.37Å; L167-L171 PolarHBondContact O-N 3.49Å; R168-L171 PolarHBondContact O-N 2.89Å; L171-G174 CarbonylContact O-C 3.56Å; L171-G174 PolarHBondContact O-N 3.05Å; L171-K175 WeakPolarHBondContact O-CA 3.24Å; L171-K175 WeakPolarHBondContact O-CB 3.33Å; L171-K175 PolarHBondContact O-N 2.83Å; L171-L178 HydrophobicContact CD2-CB 4.09Å; L171-L178 HydrophobicContact CD2-CD1 4.37Å
172	E	97.9	Very high	97.2	Very high	109 Å²	109	61.5 Å²	61.5	51%	0.509	28%	0.283	S	S	.	.	H	α-helix	trans	-63.4	-46.6	176.3	-179.6	57.8	-138.4	0	0	111.8	R168 R169 G174 K175	R168-E172 PolarHBondContact O-N 3.15Å; R168-E172 VanDerWaalsContact O-N 3.1Å; R169-E172 PolarHBondContact O-N 3.42Å; E172-G174 VanDerWaalsContact C-N 3.27Å; E172-G174 PolarHBondContact O-N 3Å; E172-K175 IonicContact OE1-NZ 3.85Å; E172-K175 PolarHBondContact OE1-NZ 3.04Å
173	N	97.8	Very high	97.2	Very high	50 Å²	50	60.7 Å²	60.7	27%	0.267	28%	0.284	S	S	.	.	H	α-helix	trans	-62.7	-34	180	-77.1	-4.1	0	0	0	112.8	W50 Q53 R169 Y170	W50-N173 HydrophobicContact CB-CB 4.5Å; Q53-N173 PolarHBondContact NE2-ND2 2.83Å; Q53-N173 VanDerWaalsContact NE2-ND2 3.15Å; R169-N173 VanDerWaalsContact O-CB 3.24Å; R169-N173 WeakPolarHBondContact O-CB 3.33Å; R169-N173 PolarHBondContact O-N 3.23Å; Y170-N173 PolarHBondContact O-N 3.35Å
174	G	97.2	Very high	97.2	Very high	6 Å²	6	61.1 Å²	61.1	6%	0.062	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	12.1	-174.2	0	0	0	0	0	114.7	Y170 L171 E172 D176 K177 L178	Y170-G174 WeakPolarHBondContact O-CA 3.46Å; Y170-G174 PolarHBondContact O-N 3.3Å; L171-G174 CarbonylContact O-C 3.56Å; L171-G174 PolarHBondContact O-N 3.05Å; E172-G174 VanDerWaalsContact C-N 3.27Å; E172-G174 PolarHBondContact O-N 3Å; G174-D176 VanDerWaalsContact C-N 3.3Å; G174-D176 PolarHBondContact O-N 2.92Å; G174-D176 VanDerWaalsContact O-N 3.12Å; G174-K177 CarbonylContact O-C 3.59Å; G174-K177 PolarHBondContact O-N 3.12Å; G174-L178 PolarHBondContact O-N 3.35Å
175	K	95.7	Very high	97.2	Very high	93 Å²	93	68.3 Å²	68.3	40%	0.404	32%	0.318	S	S	.	.	H	α-helix	trans	-50.8	-41	-167.5	65.1	-172	172.7	-162.7	0	115.2	L171 E172 K177 E179	L171-K175 WeakPolarHBondContact O-CA 3.24Å; L171-K175 WeakPolarHBondContact O-CB 3.33Å; L171-K175 PolarHBondContact O-N 2.83Å; E172-K175 IonicContact OE1-NZ 3.85Å; E172-K175 PolarHBondContact OE1-NZ 3.04Å; K175-K177 PolarHBondContact O-N 2.77Å; K175-E179 HydrophobicContact CB-CG 4.48Å; K175-E179 PolarHBondContact O-N 3.29Å
176	D	93.9	Very high	97.2	Very high	126 Å²	126	63.9 Å²	63.9	67%	0.674	30%	0.299	S	S	*	.	H	α-helix	trans	-60.1	-20.8	-179.6	-66.7	-10.9	0	0	0	113.5	G174 R180	G174-D176 VanDerWaalsContact C-N 3.3Å; G174-D176 PolarHBondContact O-N 2.92Å; G174-D176 VanDerWaalsContact O-N 3.12Å; D176-R180 PolarHBondContact O-NH1 3.03Å
177	K	93.3	Very high	97.2	Very high	98 Å²	98	64.5 Å²	64.5	43%	0.426	31%	0.305	S	S	.	.	H	α-helix	trans	-109.8	-62.6	175.5	-66	-62.6	-178.4	-176.4	0	110.6	G174 K175 E179 R180 R238	G174-K177 CarbonylContact O-C 3.59Å; G174-K177 PolarHBondContact O-N 3.12Å; K175-K177 PolarHBondContact O-N 2.77Å; K177-E179 VanDerWaalsContact C-N 3.34Å; K177-E179 PolarHBondContact O-N 2.87Å; K177-R180 WeakPolarHBondContact O-CB 3.11Å; K177-R180 PolarHBondContact O-N 3.43Å; K177-R238 VanDerWaalsContact O-CZ 3.25Å; K177-R238 PolarHBondContact O-NH1 3.49Å; K177-R238 PolarHBondContact O-NH2 3.12Å
178	L	94.2	Very high	97.2	Very high	4 Å²	4	65.6 Å²	65.6	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-62.5	-36.9	-166.6	-65.3	175.2	0	0	0	113.3	V27 T30 W50 Y170 L171 G174 R180	V27-L178 HydrophobicContact CB-CD1 4.37Å; V27-L178 HydrophobicContact CB-CD2 4.23Å; V27-L178 HydrophobicContact CG1-CD1 3.98Å; V27-L178 HydrophobicContact CG1-CD2 4.12Å; T30-L178 HydrophobicContact CG2-CD2 4.08Å; W50-L178 HydrophobicContact CD2-CD1 4.43Å; W50-L178 HydrophobicContact CH2-CD1 4.44Å; W50-L178 HydrophobicContact CZ2-CD1 3.87Å; W50-L178 HydrophobicContact CZ2-CD2 4.23Å; Y170-L178 WeakPolarHBondContact O-CD1 3.31Å; L171-L178 HydrophobicContact CD2-CB 4.09Å; L171-L178 HydrophobicContact CD2-CD1 4.37Å; G174-L178 PolarHBondContact O-N 3.35Å; L178-R180 VanDerWaalsContact C-N 3.31Å
179	E	93.3	Very high	97.2	Very high	117 Å²	117	61.7 Å²	61.7	55%	0.547	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	1	178.7	-59.9	-171.8	170.8	0	0	113.1	K175 K177	K175-E179 HydrophobicContact CB-CG 4.48Å; K175-E179 PolarHBondContact O-N 3.29Å; K177-E179 VanDerWaalsContact C-N 3.34Å; K177-E179 PolarHBondContact O-N 2.87Å
180	R	96.1	Very high	97.2	Very high	95 Å²	95	58.5 Å²	58.5	36%	0.358	29%	0.291	S	S	.	.			trans	-98	115.5	-179.4	-165.9	-175.9	77.6	-148.1	2.4	111	D176 K177 L178 D182 Y208	D176-R180 PolarHBondContact O-NH1 3.03Å; K177-R180 WeakPolarHBondContact O-CB 3.11Å; K177-R180 PolarHBondContact O-N 3.43Å; L178-R180 VanDerWaalsContact C-N 3.31Å; R180-D182 IonicContact CZ-OD1 3.77Å; R180-D182 IonicContact CZ-OD2 3.72Å; R180-D182 IonicContact NE-OD1 3.68Å; R180-D182 PolarHBondContact NE-OD1 3.21Å; R180-D182 IonicContact NE-OD2 3.63Å; R180-D182 IonicContact NH2-OD1 2.68Å; R180-D182 PolarHBondContact NH2-OD1 2.97Å; R180-D182 IonicContact NH2-OD2 2.91Å; R180-D182 PolarHBondContact NH2-OD2 3.15Å; R180-Y208 WeakPolarHBondContact O-CD1 3.46Å
181	A	97.8	Very high	97.1	Very high	33 Å²	33	62.4 Å²	62.4	27%	0.273	31%	0.309	S	S	.	.			trans	-83	125.5	165.2	0	0	0	0	0	110.4	Y208	A181-Y208 CarbonylContact C-O 3.59Å; A181-Y208 WeakPolarHBondContact CA-O 3.32Å
182	D	98.3	Very high	97	Very high	35 Å²	35	66.5 Å²	66.5	19%	0.187	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-96.9	115.3	174.1	-68.5	-36.3	0	0	0	107.6	R180 F207 Y208 H262	R180-D182 IonicContact CZ-OD1 3.77Å; R180-D182 IonicContact CZ-OD2 3.72Å; R180-D182 IonicContact NE-OD1 3.68Å; R180-D182 PolarHBondContact NE-OD1 3.21Å; R180-D182 IonicContact NE-OD2 3.63Å; R180-D182 IonicContact NH2-OD1 2.68Å; R180-D182 PolarHBondContact NH2-OD1 2.97Å; R180-D182 IonicContact NH2-OD2 2.91Å; R180-D182 PolarHBondContact NH2-OD2 3.15Å; D182-F207 CarbonylContact O-C 3.58Å; D182-F207 WeakPolarHBondContact O-CA 3.48Å; D182-F207 WeakPolarHBondContact O-CB 3.32Å; D182-Y208 PolarHBondContact N-O 3.17Å; D182-Y208 PolarHBondContact O-N 3.09Å; D182-H262 PolarHBondContact O-CE1 3.46Å
183	P	98.5	Very high	96.9	Very high	63 Å²	63	65.9 Å²	65.9	41%	0.409	34%	0.335	S	S	.	.			trans	-70.6	150.1	-176.2	25.3	-32.6	0	0	0	112.7	K185 L265	P183-K185 PolarHBondContact O-N 3.23Å; P183-L265 HydrophobicContact CB-CD2 3.9Å; P183-L265 HydrophobicContact CB-CG 4.42Å
184	P	98.7	Very high	96.8	Very high	8 Å²	8	66 Å²	66	5%	0.052	34%	0.34	C	S	.	.			trans	-67.4	133	179.2	28.3	-35.3	0	0	0	111.9	T186 A204 F207 I212 V260 H262 L265	P184-T186 HydrophobicContact CB-CG2 3.99Å; P184-T186 HydrophobicContact CG-CG2 4.2Å; P184-T186 PolarHBondContact O-N 2.9Å; P184-A204 HydrophobicContact CB-CB 3.85Å; P184-F207 HydrophobicContact CB-CB 3.84Å; P184-F207 HydrophobicContact CB-CD1 3.95Å; P184-F207 HydrophobicContact CB-CG 4.16Å; P184-I212 HydrophobicContact CB-CD1 4Å; P184-I212 HydrophobicContact CG-CD1 4.06Å; P184-V260 HydrophobicContact CG-CG1 3.91Å; P184-H262 HydrophobicContact CG-CB 4.04Å; P184-L265 HydrophobicContact CG-CD1 3.93Å; P184-L265 HydrophobicContact CG-CD2 4.48Å; P184-L265 HydrophobicContact CG-CG 4.27Å
185	K	98.8	Very high	96.6	Very high	159 Å²	159	72.9 Å²	72.9	69%	0.691	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	115.7	162.7	-65.1	171.4	-174.1	169.6	0	107.7	P183 L205	P183-K185 PolarHBondContact O-N 3.23Å; K185-L205 PolarHBondContact N-O 2.95Å; K185-L205 PolarHBondContact O-N 3.44Å
186	T	98.8	Very high	96.6	Very high	36 Å²	36	75.2 Å²	75.2	22%	0.221	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	142.5	-171.5	51	0	0	0	0	112	P184 W203 A204 V260 L269	P184-T186 HydrophobicContact CB-CG2 3.99Å; P184-T186 HydrophobicContact CG-CG2 4.2Å; P184-T186 PolarHBondContact O-N 2.9Å; T186-W203 WeakPolarHBondContact CA-O 3.35Å; T186-A204 HydrophobicContact CG2-CB 4.31Å; T186-V260 HydrophobicContact CG2-CB 4.34Å; T186-V260 HydrophobicContact CG2-CG1 4.07Å; T186-V260 HydrophobicContact CG2-CG2 3.96Å; T186-L269 HydrophobicContact CG2-CD1 4.36Å; T186-L269 WeakPolarHBondContact OG1-CD1 3.14Å
187	H	98.6	Very high	96.7	Very high	79 Å²	79	73.5 Å²	73.5	37%	0.366	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	160.1	172.3	63.4	-76.9	0	0	0	110	W203	H187-W203 VanDerWaalsContact CE1-CB 3.45Å; H187-W203 WeakPolarHBondContact CE1-CB 3.45Å; H187-W203 AromaticContact CE1-CD1 3.99Å; H187-W203 AromaticContact CE1-CG 3.73Å; H187-W203 PolarHBondContact N-O 3.5Å; H187-W203 AromaticContact NE2-CD1 3.54Å; H187-W203 AromaticContact NE2-CG 3.74Å; H187-W203 PolarHBondContact O-N 3.34Å
188	V	98.8	Very high	96.9	Very high	23 Å²	23	68.9 Å²	68.9	14%	0.139	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.6	175.6	-179.2	0	0	0	0	108.8	L200 R201 C202 W216 L271 W273	V188-L200 HydrophobicContact CG1-CB 4.4Å; V188-L200 HydrophobicContact CG1-CD2 4.43Å; V188-R201 CarbonylContact C-O 3.57Å; V188-R201 WeakPolarHBondContact CA-O 3.35Å; V188-C202 HydrophobicContact CG2-CB 4.5Å; V188-W216 HydrophobicContact CG1-CH2 3.86Å; V188-W216 HydrophobicContact CG1-CZ2 4.23Å; V188-W216 HydrophobicContact CG2-CH2 4.25Å; V188-L271 HydrophobicContact CG2-CB 3.86Å; V188-W273 HydrophobicContact CG1-CB 3.93Å
189	T	98.5	Very high	97.1	Very high	33 Å²	33	69.7 Å²	69.7	20%	0.202	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	148.8	170.9	66	0	0	0	0	110.4	H191 L200 R201	T189-H191 PolarHBondContact OG1-NE2 3.03Å; T189-L200 WeakPolarHBondContact O-CA 3.34Å; T189-R201 PolarHBondContact N-O 2.85Å; T189-R201 PolarHBondContact O-N 3.15Å
190	H	98.1	Very high	97.4	Very high	48 Å²	48	64.1 Å²	64.1	22%	0.222	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	128.3	179.7	170.6	-93.1	0	0	0	109.7	A198 T199 L200 E253 W273	H190-A198 WeakPolarHBondContact NE2-CB 3.32Å; H190-T199 WeakPolarHBondContact CA-O 3.4Å; H190-L200 HydrophobicContact CB-CD2 4.07Å; H190-E253 IonicContact NE2-OE1 3.94Å; H190-W273 HydrophobicContact CB-CD2 3.88Å; H190-W273 VanDerWaalsContact CB-CE2 3.46Å; H190-W273 HydrophobicContact CB-CG 3.99Å; H190-W273 HydrophobicContact CB-CZ2 3.98Å; H190-W273 VanDerWaalsContact CB-NE1 3.33Å; H190-W273 AromaticContact CG-CE2 3.73Å; H190-W273 AromaticContact CG-CZ2 3.79Å; H190-W273 AromaticContact ND1-CZ2 3.86Å
191	H	97.2	Very high	97.5	Very high	82 Å²	82	62.2 Å²	62.2	38%	0.38	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	104.8	-178.6	-57.4	-75.6	0	0	0	109.8	T189 I193 A198 T199 R201	T189-H191 PolarHBondContact OG1-NE2 3.03Å; H191-I193 PolarHBondContact O-N 3Å; H191-A198 CarbonylContact O-C 3.56Å; H191-A198 WeakPolarHBondContact O-CA 3.21Å; H191-T199 PolarHBondContact N-O 3.45Å; H191-T199 PolarHBondContact O-N 3.35Å; H191-R201 PolarHBondContact CD2-NH1 2.79Å; H191-R201 PolarHBondContact NE2-NH1 2.73Å
192	P	96.4	Very high	97.5	Very high	100 Å²	100	60.7 Å²	60.7	65%	0.649	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.2	132.3	172.9	-22.2	32.2	0	0	0	111.1
193	I	95.4	Very high	97.6	Very high	96 Å²	96	61.2 Å²	61.2	49%	0.492	31%	0.314	S	S	.	.			trans	-103.6	-42.5	175.5	-54.1	170.9	0	0	0	109.5	H191 E197 T199 V247	H191-I193 PolarHBondContact O-N 3Å; I193-E197 PolarHBondContact N-O 2.67Å; I193-T199 WeakPolarHBondContact CD1-OG1 3.46Å; I193-V247 HydrophobicContact CD1-CG1 3.97Å; I193-V247 HydrophobicContact CD1-CG2 4Å
194	S	95.4	Very high	97.6	Very high	53 Å²	53	58.2 Å²	58.2	37%	0.371	30%	0.295	S	S	.	.	S	Bend	trans	-148.3	-178.1	177.9	72.2	0	0	0	0	110.5	H196 E197	S194-H196 PolarHBondContact O-N 2.87Å; S194-H196 VanDerWaalsContact O-N 3.15Å; S194-H196 PolarHBondContact OG-N 2.89Å; S194-H196 VanDerWaalsContact OG-N 3.15Å; S194-E197 PolarHBondContact N-O 3Å; S194-E197 VanDerWaalsContact N-O 3.1Å; S194-E197 PolarHBondContact OG-N 2.96Å
195	D	93	Very high	97.6	Very high	149 Å²	149	60.5 Å²	60.5	80%	0.797	31%	0.306	S	S	*	.	S	Bend	trans	-65.2	-10	172.2	-66	-20.5	0	0	0	113.3
196	H	95.1	Very high	97.6	Very high	142 Å²	142	54.1 Å²	54.1	66%	0.657	29%	0.285	S	S	*	.	S	Bend	trans	-116.7	-16.8	-174.8	-55	-43.5	0	0	0	113.5	S194 P249 S250	S194-H196 PolarHBondContact O-N 2.87Å; S194-H196 VanDerWaalsContact O-N 3.15Å; S194-H196 PolarHBondContact OG-N 2.89Å; S194-H196 VanDerWaalsContact OG-N 3.15Å; H196-P249 CarbonylContact O-C 3.54Å; H196-P249 WeakPolarHBondContact O-CA 3.48Å; H196-S250 VanDerWaalsContact C-OG 3.25Å; H196-S250 PolarHBondContact O-N 2.85Å
197	E	96.5	Very high	97.6	Very high	91 Å²	91	52.4 Å²	52.4	43%	0.425	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	146	-169.8	-67	-178.8	154.4	0	0	112.6	I193 S194 V247 V248 S250	I193-E197 PolarHBondContact N-O 2.67Å; S194-E197 PolarHBondContact N-O 3Å; S194-E197 VanDerWaalsContact N-O 3.1Å; S194-E197 PolarHBondContact OG-N 2.96Å; E197-V247 HydrophobicContact CB-CG1 3.98Å; E197-V247 HydrophobicContact CG-CG1 4.2Å; E197-V248 VanDerWaalsContact CA-O 3.31Å; E197-V248 WeakPolarHBondContact CA-O 3.45Å; E197-S250 PolarHBondContact N-OG 3.44Å
198	A	97.7	Very high	97.6	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.008	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	154.8	171	0	0	0	0	0	111.1	H190 H191 V247 V248	H190-A198 WeakPolarHBondContact NE2-CB 3.32Å; H191-A198 CarbonylContact O-C 3.56Å; H191-A198 WeakPolarHBondContact O-CA 3.21Å; A198-V247 WeakPolarHBondContact O-CA 3.39Å; A198-V248 PolarHBondContact N-O 2.94Å; A198-V248 PolarHBondContact O-N 2.98Å
199	T	98.5	Very high	97.5	Very high	21 Å²	21	48.7 Å²	48.7	13%	0.129	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	124.7	168.3	-54.3	0	0	0	0	109.6	H190 H191 I193 A245 V246	H190-T199 WeakPolarHBondContact CA-O 3.4Å; H191-T199 PolarHBondContact N-O 3.45Å; H191-T199 PolarHBondContact O-N 3.35Å; I193-T199 WeakPolarHBondContact CD1-OG1 3.46Å; T199-A245 HydrophobicContact CG2-CB 3.86Å; T199-V246 WeakPolarHBondContact CA-O 3.31Å
200	L	98.8	Very high	97.5	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	124.2	161.8	-62.3	-176.6	0	0	0	108.8	V188 T189 H190 W216 A245 V246 V248 E253 Y256 W273	V188-L200 HydrophobicContact CG1-CB 4.4Å; V188-L200 HydrophobicContact CG1-CD2 4.43Å; T189-L200 WeakPolarHBondContact O-CA 3.34Å; H190-L200 HydrophobicContact CB-CD2 4.07Å; L200-W216 HydrophobicContact CB-CH2 3.66Å; L200-W216 HydrophobicContact CB-CZ2 3.73Å; L200-W216 HydrophobicContact CB-CZ3 4.44Å; L200-W216 HydrophobicContact CD1-CH2 4.01Å; L200-W216 HydrophobicContact CD1-CZ3 4.15Å; L200-W216 HydrophobicContact CG-CH2 4.47Å; L200-A245 CarbonylContact O-C 3.53Å; L200-A245 WeakPolarHBondContact O-CA 3.29Å; L200-V246 HydrophobicContact CB-CG2 4.2Å; L200-V246 PolarHBondContact N-O 3.35Å; L200-V246 PolarHBondContact O-N 2.97Å; L200-V248 HydrophobicContact CD1-CG1 3.99Å; L200-V248 HydrophobicContact CD1-CG2 4.05Å; L200-V248 HydrophobicContact CG-CG1 4.14Å; L200-V248 HydrophobicContact CG-CG2 3.85Å; L200-E253 HydrophobicContact CD1-CB 4.18Å; L200-E253 HydrophobicContact CD2-CG 4.33Å; L200-Y256 HydrophobicContact CD1-CG 4.49Å; L200-W273 HydrophobicContact CD2-CB 3.9Å; L200-W273 HydrophobicContact CD2-CG 4.16Å
201	R	98.8	Very high	97.5	Very high	55 Å²	55	52.6 Å²	52.6	21%	0.208	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	117.5	176.9	-175.3	178.3	-66	114.4	0.3	110.3	V188 T189 H191 W203 W243 A245	V188-R201 CarbonylContact C-O 3.57Å; V188-R201 WeakPolarHBondContact CA-O 3.35Å; T189-R201 PolarHBondContact N-O 2.85Å; T189-R201 PolarHBondContact O-N 3.15Å; H191-R201 PolarHBondContact CD2-NH1 2.79Å; H191-R201 PolarHBondContact NE2-NH1 2.73Å; R201-W203 VanDerWaalsContact CD-CZ2 3.4Å; R201-W203 VanDerWaalsContact CD-NE1 3.34Å; R201-W203 HydrophobicContact CG-CZ2 4.44Å; R201-W243 HydrophobicContact CG-CB 3.96Å; R201-W243 HydrophobicContact CG-CD2 4.14Å; R201-W243 HydrophobicContact CG-CE3 3.96Å; R201-W243 HydrophobicContact CG-CG 4.19Å; R201-A245 HydrophobicContact CB-CB 4.15Å; R201-A245 HydrophobicContact CG-CB 4.19Å
202	C	98.8	Very high	97.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	122.3	174.3	-172.7	0	0	0	0	109.8	V188 W216 W243 A244 C258	V188-C202 HydrophobicContact CG2-CB 4.5Å; C202-W216 HydrophobicContact CB-CZ2 3.67Å; C202-W243 CarbonylContact O-C 3.54Å; C202-W243 WeakPolarHBondContact O-CA 3.5Å; C202-W243 VanDerWaalsContact O-CB 3.25Å; C202-W243 WeakPolarHBondContact O-CB 3.21Å; C202-A244 PolarHBondContact N-O 3Å; C202-A244 PolarHBondContact O-N 2.83Å; C202-C258 HydrophobicContact CB-CB 3.49Å; C202-C258 VanDerWaalsContact CB-CB 3.49Å; C202-C258 WeakPolarHBondContact CB-SG 3.44Å; C202-C258 WeakPolarHBondContact SG-CB 3.45Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 3.32Å
203	W	98.8	Very high	97.7	Very high	47 Å²	47	47.3 Å²	47.3	18%	0.178	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	141.9	179.7	-71.3	90	0	0	0	111.1	T186 H187 R201 L205 W243	T186-W203 WeakPolarHBondContact CA-O 3.35Å; H187-W203 VanDerWaalsContact CE1-CB 3.45Å; H187-W203 WeakPolarHBondContact CE1-CB 3.45Å; H187-W203 AromaticContact CE1-CD1 3.99Å; H187-W203 AromaticContact CE1-CG 3.73Å; H187-W203 PolarHBondContact N-O 3.5Å; H187-W203 AromaticContact NE2-CD1 3.54Å; H187-W203 AromaticContact NE2-CG 3.74Å; H187-W203 PolarHBondContact O-N 3.34Å; R201-W203 VanDerWaalsContact CD-CZ2 3.4Å; R201-W203 VanDerWaalsContact CD-NE1 3.34Å; R201-W203 HydrophobicContact CG-CZ2 4.44Å; W203-L205 HydrophobicContact CE3-CD2 3.86Å; W203-L205 HydrophobicContact CZ3-CD2 4.37Å; W203-W243 HydrophobicContact CD2-CB 3.96Å; W203-W243 HydrophobicContact CE3-CB 3.89Å; W203-W243 AromaticContact CE3-CD1 3.95Å; W203-W243 HydrophobicContact CE3-CG 4.26Å; W203-W243 HydrophobicContact CG-CB 4.41Å; W203-W243 AromaticContact CH2-CD1 3.58Å; W203-W243 HydrophobicContact CH2-CG 4.25Å; W203-W243 HydrophobicContact CZ2-CG 4.48Å; W203-W243 HydrophobicContact CZ3-CB 4.27Å; W203-W243 AromaticContact CZ3-CD1 3.44Å; W203-W243 VanDerWaalsContact CZ3-CD1 3.44Å; W203-W243 HydrophobicContact CZ3-CG 4.14Å
204	A	98.9	Very high	97.9	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	123.5	162.1	0	0	0	0	0	108.1	P184 T186 F207 I212 L214 Q241 K242	P184-A204 HydrophobicContact CB-CB 3.85Å; T186-A204 HydrophobicContact CG2-CB 4.31Å; A204-F207 HydrophobicContact CB-CD1 4.06Å; A204-F207 HydrophobicContact CB-CE1 3.84Å; A204-F207 WeakPolarHBondContact O-CE1 3.36Å; A204-I212 HydrophobicContact CB-CD1 3.61Å; A204-L214 HydrophobicContact CB-CD1 3.96Å; A204-L214 HydrophobicContact CB-CD2 4.09Å; A204-L214 HydrophobicContact CB-CG 4.5Å; A204-Q241 VanDerWaalsContact O-CA 3.31Å; A204-Q241 WeakPolarHBondContact O-CA 3.39Å; A204-K242 PolarHBondContact N-O 2.9Å; A204-K242 PolarHBondContact O-N 2.87Å; A204-K242 VanDerWaalsContact O-O 3.12Å
205	L	98.8	Very high	98	Very high	55 Å²	55	42.4 Å²	42.4	29%	0.288	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	148.5	-175.1	-59.2	176.9	0	0	0	111.1	K185 W203 F207 Q241	K185-L205 PolarHBondContact N-O 2.95Å; K185-L205 PolarHBondContact O-N 3.44Å; W203-L205 HydrophobicContact CE3-CD2 3.86Å; W203-L205 HydrophobicContact CZ3-CD2 4.37Å; L205-F207 VanDerWaalsContact C-N 3.33Å; L205-F207 PolarHBondContact O-N 3.03Å; L205-Q241 HydrophobicContact CD2-CB 3.57Å
206	G	98.4	Very high	98.3	Very high	25 Å²	25	35.3 Å²	35.3	26%	0.258	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	71.1	27.7	167.5	0	0	0	0	0	114	T239 F240	G206-T239 WeakPolarHBondContact CA-OG1 3.02Å; G206-F240 PolarHBondContact N-O 2.98Å
207	F	98.8	Very high	98.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	154.2	-178.5	60.3	-88.9	0	0	0	112.9	D182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262	D182-F207 CarbonylContact O-C 3.58Å; D182-F207 WeakPolarHBondContact O-CA 3.48Å; D182-F207 WeakPolarHBondContact O-CB 3.32Å; P184-F207 HydrophobicContact CB-CB 3.84Å; P184-F207 HydrophobicContact CB-CD1 3.95Å; P184-F207 HydrophobicContact CB-CG 4.16Å; A204-F207 HydrophobicContact CB-CD1 4.06Å; A204-F207 HydrophobicContact CB-CE1 3.84Å; A204-F207 WeakPolarHBondContact O-CE1 3.36Å; L205-F207 VanDerWaalsContact C-N 3.33Å; L205-F207 PolarHBondContact O-N 3.03Å; F207-P209 WeakPolarHBondContact CD2-O 3.48Å; F207-I212 HydrophobicContact CD1-CD1 3.87Å; F207-I212 HydrophobicContact CD2-CB 4.26Å; F207-I212 HydrophobicContact CD2-CD1 3.96Å; F207-I212 HydrophobicContact CE1-CD1 3.78Å; F207-I212 HydrophobicContact CE1-CG2 4.49Å; F207-I212 HydrophobicContact CE2-CB 3.76Å; F207-I212 HydrophobicContact CE2-CD1 3.9Å; F207-I212 HydrophobicContact CE2-CG1 4.42Å; F207-I212 HydrophobicContact CE2-CG2 3.59Å; F207-I212 HydrophobicContact CG-CD1 3.96Å; F207-I212 HydrophobicContact CZ-CB 4.16Å; F207-I212 HydrophobicContact CZ-CD1 3.83Å; F207-I212 HydrophobicContact CZ-CG2 3.58Å; F207-T232 HydrophobicContact CE2-CG2 4.06Å; F207-T232 HydrophobicContact CZ-CG2 3.9Å; F207-T239 CarbonylContact O-C 3.57Å; F207-T239 WeakPolarHBondContact O-CA 3.4Å; F207-F240 VanDerWaalsContact CD1-O 3.29Å; F207-F240 WeakPolarHBondContact CD1-O 3.39Å; F207-F240 HydrophobicContact CD2-CB 3.93Å; F207-F240 HydrophobicContact CE1-CB 4.22Å; F207-F240 WeakPolarHBondContact CE1-O 3.3Å; F207-F240 HydrophobicContact CE2-CB 3.47Å; F207-F240 VanDerWaalsContact CE2-CB 3.47Å; F207-F240 HydrophobicContact CE2-CG 4.45Å; F207-F240 HydrophobicContact CG-CB 4.46Å; F207-F240 HydrophobicContact CZ-CB 3.62Å; F207-F240 PolarHBondContact N-O 2.84Å; F207-F240 PolarHBondContact O-N 2.97Å; F207-K242 HydrophobicContact CE1-CB 4.36Å; F207-K242 HydrophobicContact CZ-CB 4.11Å; F207-H262 AromaticContact CD2-CD2 3.86Å; F207-H262 AromaticContact CD2-NE2 3.81Å
208	Y	98.5	Very high	98.5	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.016	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-150.7	137	172.3	178.9	-82.4	0	0	0	108.5	D29 T30 R180 A181 D182 R238 F240 H262	D29-Y208 HydrophobicContact CB-CE2 3.78Å; T30-Y208 WeakPolarHBondContact OG1-CE2 3.44Å; T30-Y208 PolarHBondContact OG1-OH 3.39Å; R180-Y208 WeakPolarHBondContact O-CD1 3.46Å; A181-Y208 CarbonylContact C-O 3.59Å; A181-Y208 WeakPolarHBondContact CA-O 3.32Å; D182-Y208 PolarHBondContact N-O 3.17Å; D182-Y208 PolarHBondContact O-N 3.09Å; Y208-R238 HydrophobicContact CD2-CG 3.88Å; Y208-R238 HydrophobicContact CE2-CG 4.02Å; Y208-R238 PolarHBondContact OH-NH2 3.02Å; Y208-F240 HydrophobicContact CD2-CE2 4.11Å; Y208-H262 PolarHBondContact O-CE1 3.15Å; Y208-H262 PolarHBondContact O-NE2 3.15Å
209	P	98.3	Very high	98.5	Very high	21 Å²	21	34.5 Å²	34.5	14%	0.136	18%	0.178	C	C	.	.	S	Bend	cis	-70.1	-177.8	0.6	30.3	-36.4	0	0	0	113.8	D29 F207 E211 H262	D29-P209 WeakPolarHBondContact OD2-CB 3.18Å; F207-P209 WeakPolarHBondContact CD2-O 3.48Å; P209-E211 VanDerWaalsContact C-N 3.31Å; P209-E211 PolarHBondContact O-N 2.68Å; P209-H262 PolarHBondContact O-NE2 3.23Å
210	A	98.4	Very high	98.3	Very high	18 Å²	18	35.8 Å²	35.8	15%	0.149	20%	0.196	C	C	.	.	S	Bend	trans	-70.9	-24.2	-176.9	0	0	0	0	0	113.8	D29 I212 T232 F240	D29-A210 WeakPolarHBondContact OD2-CB 3.35Å; D29-A210 PolarHBondContact OD2-N 2.97Å; A210-I212 PolarHBondContact O-N 2.99Å; A210-T232 HydrophobicContact CB-CG2 4.35Å; A210-F240 HydrophobicContact CB-CD1 3.78Å; A210-F240 HydrophobicContact CB-CD2 3.76Å; A210-F240 HydrophobicContact CB-CE1 3.69Å; A210-F240 HydrophobicContact CB-CE2 3.68Å; A210-F240 HydrophobicContact CB-CG 3.83Å; A210-F240 HydrophobicContact CB-CZ 3.65Å
211	E	98.4	Very high	98.2	Very high	145 Å²	145	42.6 Å²	42.6	68%	0.678	23%	0.228	S	C	*	.			trans	-65.3	118.8	-179.2	-174	56.4	-141.6	0	0	110.7	P209 H262	P209-E211 VanDerWaalsContact C-N 3.31Å; P209-E211 PolarHBondContact O-N 2.68Å; E211-H262 PolarHBondContact O-CD2 3.43Å; E211-H262 VanDerWaalsContact O-CD2 3.3Å
212	I	98.6	Very high	98.2	Very high	13 Å²	13	44.4 Å²	44.4	7%	0.067	24%	0.242	C	C	.	.			trans	-154.6	142.8	-177.9	-163.4	171.4	0	0	0	109.8	P184 A204 F207 A210 L214 K242 V260 Q261 H262	P184-I212 HydrophobicContact CB-CD1 4Å; P184-I212 HydrophobicContact CG-CD1 4.06Å; A204-I212 HydrophobicContact CB-CD1 3.61Å; F207-I212 HydrophobicContact CD1-CD1 3.87Å; F207-I212 HydrophobicContact CD2-CB 4.26Å; F207-I212 HydrophobicContact CD2-CD1 3.96Å; F207-I212 HydrophobicContact CE1-CD1 3.78Å; F207-I212 HydrophobicContact CE1-CG2 4.49Å; F207-I212 HydrophobicContact CE2-CB 3.76Å; F207-I212 HydrophobicContact CE2-CD1 3.9Å; F207-I212 HydrophobicContact CE2-CG1 4.42Å; F207-I212 HydrophobicContact CE2-CG2 3.59Å; F207-I212 HydrophobicContact CG-CD1 3.96Å; F207-I212 HydrophobicContact CZ-CB 4.16Å; F207-I212 HydrophobicContact CZ-CD1 3.83Å; F207-I212 HydrophobicContact CZ-CG2 3.58Å; A210-I212 PolarHBondContact O-N 2.99Å; I212-L214 HydrophobicContact CB-CD1 4.43Å; I212-L214 HydrophobicContact CD1-CD1 3.57Å; I212-L214 HydrophobicContact CG1-CD1 3.59Å; I212-L214 HydrophobicContact CG2-CD1 4.07Å; I212-K242 HydrophobicContact CG2-CB 4.34Å; I212-K242 HydrophobicContact CG2-CD 3.64Å; I212-V260 HydrophobicContact CD1-CG1 4.07Å; I212-V260 HydrophobicContact CG1-CG1 4.36Å; I212-Q261 VanDerWaalsContact CG1-O 3.3Å; I212-Q261 WeakPolarHBondContact CG1-O 3.47Å; I212-H262 HydrophobicContact CD1-CB 4.45Å; I212-H262 HydrophobicContact CG1-CB 4.18Å
213	T	98.6	Very high	98.1	Very high	58 Å²	58	45.7 Å²	45.7	36%	0.356	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	123.8	172.3	-60.7	0	0	0	0	110	T215 V260 Q261	T213-T215 HydrophobicContact CG2-CG2 3.99Å; T213-V260 WeakPolarHBondContact O-CA 3.22Å; T213-Q261 PolarHBondContact N-O 3.2Å; T213-Q261 PolarHBondContact O-N 3.42Å
214	L	98.5	Very high	97.9	Very high	6 Å²	6	48.6 Å²	48.6	3%	0.031	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	121.2	171.9	-86.4	64	0	0	0	108.2	A204 I212 L229 K242 A244 H259 V260	A204-L214 HydrophobicContact CB-CD1 3.96Å; A204-L214 HydrophobicContact CB-CD2 4.09Å; A204-L214 HydrophobicContact CB-CG 4.5Å; I212-L214 HydrophobicContact CB-CD1 4.43Å; I212-L214 HydrophobicContact CD1-CD1 3.57Å; I212-L214 HydrophobicContact CG1-CD1 3.59Å; I212-L214 HydrophobicContact CG2-CD1 4.07Å; L214-L229 HydrophobicContact CB-CD1 4.3Å; L214-K242 HydrophobicContact CD1-CD 4.28Å; L214-K242 HydrophobicContact CD2-CB 4.32Å; L214-K242 HydrophobicContact CD2-CG 4.38Å; L214-A244 HydrophobicContact CB-CB 4.04Å; L214-A244 HydrophobicContact CD2-CB 4.35Å; L214-H259 WeakPolarHBondContact CA-O 3.45Å; L214-V260 HydrophobicContact CD1-CG1 4.15Å; L214-V260 HydrophobicContact CG-CG2 4.35Å
215	T	98.5	Very high	97.7	Very high	39 Å²	39	57.7 Å²	57.7	24%	0.239	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	147.6	175.8	57.9	0	0	0	0	111.3	T213 C258 H259	T213-T215 HydrophobicContact CG2-CG2 3.99Å; T215-C258 CarbonylContact O-C 3.6Å; T215-C258 WeakPolarHBondContact O-CA 3.44Å; T215-H259 PolarHBondContact N-O 3.48Å; T215-H259 PolarHBondContact O-N 3.22Å
216	W	98.7	Very high	97.5	Very high	1 Å²	1	60.4 Å²	60.4	0%	0.004	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	136.9	167.8	-82.9	104.7	0	0	0	109.8	V188 L200 C202 Q223 A244 V246 T257 C258	V188-W216 HydrophobicContact CG1-CH2 3.86Å; V188-W216 HydrophobicContact CG1-CZ2 4.23Å; V188-W216 HydrophobicContact CG2-CH2 4.25Å; L200-W216 HydrophobicContact CB-CH2 3.66Å; L200-W216 HydrophobicContact CB-CZ2 3.73Å; L200-W216 HydrophobicContact CB-CZ3 4.44Å; L200-W216 HydrophobicContact CD1-CH2 4.01Å; L200-W216 HydrophobicContact CD1-CZ3 4.15Å; L200-W216 HydrophobicContact CG-CH2 4.47Å; C202-W216 HydrophobicContact CB-CZ2 3.67Å; W216-Q223 HydrophobicContact CB-CB 4.35Å; W216-Q223 PolarHBondContact O-N 3.03Å; W216-A244 PolarHBondContact NE1-O 2.81Å; W216-V246 HydrophobicContact CB-CG1 3.68Å; W216-V246 HydrophobicContact CB-CG2 4.36Å; W216-V246 HydrophobicContact CD2-CG1 4.45Å; W216-V246 HydrophobicContact CD2-CG2 3.66Å; W216-V246 HydrophobicContact CE3-CG2 4.08Å; W216-V246 HydrophobicContact CG-CB 4.39Å; W216-V246 HydrophobicContact CG-CG1 3.68Å; W216-V246 HydrophobicContact CG-CG2 3.79Å; W216-V246 HydrophobicContact CZ2-CG2 4.42Å; W216-T257 WeakPolarHBondContact CA-O 3.46Å; W216-C258 HydrophobicContact CD2-CB 4.18Å; W216-C258 HydrophobicContact CE3-CB 4.14Å; W216-C258 HydrophobicContact CH2-CB 4.01Å; W216-C258 HydrophobicContact CZ2-CB 4.05Å; W216-C258 HydrophobicContact CZ3-CB 4.06Å
217	Q	98.6	Very high	97.4	Very high	42 Å²	42	60.4 Å²	60.4	20%	0.196	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	144	171	-69.6	-174.3	-10.3	0	0	110.1	E221 D222 Y256 T257 H259	Q217-E221 CarbonylContact C-O 3.59Å; Q217-E221 WeakPolarHBondContact CA-O 3.5Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.3Å; Q217-D222 PolarHBondContact NE2-OD1 2.65Å; Q217-Y256 CarbonylContact O-C 3.54Å; Q217-Y256 VanDerWaalsContact O-CA 3.23Å; Q217-Y256 WeakPolarHBondContact O-CA 3.31Å; Q217-T257 PolarHBondContact N-O 3.14Å; Q217-T257 PolarHBondContact O-N 2.95Å; Q217-H259 PolarHBondContact OE1-CE1 3.14Å; Q217-H259 PolarHBondContact OE1-NE2 3Å; Q217-H259 VanDerWaalsContact OE1-NE2 3.15Å
218	R	98.3	Very high	97.4	Very high	74 Å²	74	65.9 Å²	65.9	28%	0.279	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	119.5	167.7	-176.4	-171.3	-175.1	179.4	0.7	108	G220 E221 Q223 E252 R255 Y256	R218-G220 PolarHBondContact O-N 2.86Å; R218-E221 PolarHBondContact N-O 2.77Å; R218-E221 PolarHBondContact O-N 3.27Å; R218-Q223 HydrophobicContact CB-CG 3.98Å; R218-E252 IonicContact CZ-OE2 2.79Å; R218-E252 IonicContact NE-OE2 3.15Å; R218-E252 IonicContact NH2-OE1 3.4Å; R218-E252 IonicContact NH2-OE2 3.55Å; R218-E252 PolarHBondContact NH2-OE2 2.82Å; R218-R255 WeakPolarHBondContact CA-O 3.44Å; R218-R255 HydrophobicContact CG-CB 4.43Å; R218-Y256 HydrophobicContact CB-CD1 4.09Å; R218-Y256 HydrophobicContact CB-CE1 3.84Å; R218-Y256 WeakPolarHBondContact CD-OH 3.45Å; R218-Y256 HydrophobicContact CG-CD1 4.47Å; R218-Y256 HydrophobicContact CG-CD2 4.48Å; R218-Y256 HydrophobicContact CG-CE1 4.05Å; R218-Y256 HydrophobicContact CG-CE2 4.03Å
219	D	97	Very high	97.4	Very high	100 Å²	100	69.9 Å²	69.9	54%	0.535	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	28.5	-175.1	-52.9	-49.4	0	0	0	114.1	R255	D219-R255 PolarHBondContact N-O 2.77Å; D219-R255 WeakPolarHBondContact OD1-CB 3.46Å; D219-R255 IonicContact OD1-NE 3.73Å; D219-R255 PolarHBondContact OD1-NE 3.34Å; D219-R255 IonicContact OD2-CZ 3.38Å; D219-R255 IonicContact OD2-NE 3.73Å; D219-R255 PolarHBondContact OD2-NE 3.06Å; D219-R255 IonicContact OD2-NH2 3.56Å; D219-R255 PolarHBondContact OD2-NH2 2.95Å
220	G	94.3	Very high	97.4	Very high	48 Å²	48	70.5 Å²	70.5	50%	0.495	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.3	-1.4	-177.7	0	0	0	0	0	115.6	R218	R218-G220 PolarHBondContact O-N 2.86Å
221	E	97.5	Very high	97.3	Very high	144 Å²	144	77.9 Å²	77.9	67%	0.673	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	128.9	177.6	-63.2	-171.9	171.8	0	0	112.1	Q217 R218 Q223	Q217-E221 CarbonylContact C-O 3.59Å; Q217-E221 WeakPolarHBondContact CA-O 3.5Å; R218-E221 PolarHBondContact N-O 2.77Å; R218-E221 PolarHBondContact O-N 3.27Å; E221-Q223 PolarHBondContact O-NE2 2.67Å
222	D	97.3	Very high	97.4	Very high	93 Å²	93	73.1 Å²	73.1	50%	0.497	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	133.1	-179.4	-71.6	-19.2	0	0	0	112.3	Q217	Q217-D222 WeakPolarHBondContact CG-OD1 3.3Å; Q217-D222 PolarHBondContact NE2-OD1 2.65Å
223	Q	97.2	Very high	97.3	Very high	27 Å²	27	77 Å²	77	13%	0.126	40%	0.399	C	S	.	.			trans	-102.5	40.3	-177.2	-58	-60.8	-73.8	0	0	112.1	W216 R218 E221 Q225 D226 T227 V246 Y256	W216-Q223 HydrophobicContact CB-CB 4.35Å; W216-Q223 PolarHBondContact O-N 3.03Å; R218-Q223 HydrophobicContact CB-CG 3.98Å; E221-Q223 PolarHBondContact O-NE2 2.67Å; Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 3.19Å; Q223-D226 PolarHBondContact O-N 3.22Å; Q223-D226 VanDerWaalsContact O-N 3.15Å; Q223-T227 WeakPolarHBondContact O-CB 3.44Å; Q223-T227 PolarHBondContact O-N 3.22Å; Q223-T227 PolarHBondContact O-OG1 3.26Å; Q223-V246 HydrophobicContact CB-CG1 4.38Å; Q223-Y256 HydrophobicContact CG-CE1 4.41Å
224	T	94.3	Very high	97.3	Very high	107 Å²	107	78.8 Å²	78.8	66%	0.656	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-36.6	-169.9	-49.9	0	0	0	0	113.9
225	Q	94.9	Very high	97.3	Very high	192 Å²	192	81 Å²	81	90%	0.897	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-29.9	-179.5	-66.3	-173.4	-2.3	0	0	112.9	Q223	Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 3.19Å
226	D	94.1	Very high	97.2	Very high	111 Å²	111	82.8 Å²	82.8	59%	0.594	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-0.6	-176.7	-55.5	-60	0	0	0	112.7	Q223	Q223-D226 PolarHBondContact O-N 3.22Å; Q223-D226 VanDerWaalsContact O-N 3.15Å
227	T	97.5	Very high	97	Very high	25 Å²	25	88 Å²	88	15%	0.153	49%	0.485	C	S	.	.			trans	-92.2	119.4	179.6	-62.2	0	0	0	0	110.7	Q223 L229 A244 A245 V246	Q223-T227 WeakPolarHBondContact O-CB 3.44Å; Q223-T227 PolarHBondContact O-N 3.22Å; Q223-T227 PolarHBondContact O-OG1 3.26Å; T227-L229 HydrophobicContact CG2-CB 4.38Å; T227-L229 PolarHBondContact O-N 2.62Å; T227-A244 HydrophobicContact CG2-CB 3.89Å; T227-A245 CarbonylContact C-O 3.6Å; T227-A245 WeakPolarHBondContact CA-O 3.39Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.45Å
228	E	98.1	Very high	96.8	Very high	115 Å²	115	88.7 Å²	88.7	54%	0.537	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	111.9	162.8	-172.9	-174.9	-172.1	0	0	108.8	W243 A244 A245	E228-W243 HydrophobicContact CB-CZ3 4.15Å; E228-W243 HydrophobicContact CG-CH2 3.83Å; E228-W243 HydrophobicContact CG-CZ3 3.81Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.29Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.23Å; E228-A244 CarbonylContact O-C 3.57Å; E228-A244 WeakPolarHBondContact O-CA 3.34Å; E228-A245 HydrophobicContact CB-CB 4.46Å; E228-A245 PolarHBondContact N-O 2.9Å; E228-A245 PolarHBondContact O-N 2.02Å
229	L	98	Very high	96.8	Very high	89 Å²	89	86 Å²	86	47%	0.466	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	117.3	-178.5	-172.5	67	0	0	0	110.1	L214 T227 K242 A244	L214-L229 HydrophobicContact CB-CD1 4.3Å; T227-L229 HydrophobicContact CG2-CB 4.38Å; T227-L229 PolarHBondContact O-N 2.62Å; L229-K242 HydrophobicContact CD1-CD 4.45Å; L229-A244 HydrophobicContact CD1-CB 3.64Å
230	V	97.9	Very high	96.9	Very high	34 Å²	34	82.5 Å²	82.5	21%	0.206	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-81.5	153.9	176	-65.6	0	0	0	0	112.1	K242 W243	V230-K242 HydrophobicContact CG2-CG 4.43Å; V230-K242 WeakPolarHBondContact O-CE 3.2Å; V230-K242 PolarHBondContact O-NZ 3.46Å; V230-W243 HydrophobicContact CB-CZ2 4.41Å; V230-W243 HydrophobicContact CG1-CD2 3.99Å; V230-W243 HydrophobicContact CG1-CE3 4.36Å; V230-W243 HydrophobicContact CG1-CH2 3.64Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.19Å; V230-W243 HydrophobicContact CG2-CD2 3.81Å; V230-W243 HydrophobicContact CG2-CG 3.77Å; V230-W243 HydrophobicContact CG2-CZ2 4.45Å; V230-W243 WeakPolarHBondContact CG2-O 3.4Å; V230-W243 PolarHBondContact N-O 2.71Å
231	E	98.1	Very high	97.1	Very high	172 Å²	172	82.4 Å²	82.4	80%	0.804	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-55.9	145.7	166.7	-68.6	-174.3	173.7	0	0	111	R233	E231-R233 PolarHBondContact O-N 2.9Å
232	T	98.6	Very high	97.2	Very high	45 Å²	45	76.6 Å²	76.6	28%	0.276	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-66.7	128.2	172.5	-57.4	0	0	0	0	108.1	F207 A210 F240 K242	F207-T232 HydrophobicContact CE2-CG2 4.06Å; F207-T232 HydrophobicContact CZ-CG2 3.9Å; A210-T232 HydrophobicContact CB-CG2 4.35Å; T232-F240 HydrophobicContact CG2-CB 3.81Å; T232-F240 HydrophobicContact CG2-CD1 3.9Å; T232-F240 HydrophobicContact CG2-CG 4.13Å; T232-K242 WeakPolarHBondContact OG1-CD 3.12Å; T232-K242 PolarHBondContact OG1-NZ 2.82Å; T232-K242 VanDerWaalsContact OG1-NZ 3.17Å
233	R	98.4	Very high	97.3	Very high	95 Å²	95	73.3 Å²	73.3	36%	0.358	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	145.1	-173.4	68.3	-169.6	-177.6	-168.8	1.3	111.6	E231 F240 Q241	E231-R233 PolarHBondContact O-N 2.9Å; R233-F240 WeakPolarHBondContact O-CA 2.93Å; R233-Q241 HydrophobicContact CG-CG 3.57Å; R233-Q241 PolarHBondContact N-O 3.26Å; R233-Q241 VanDerWaalsContact NE-NE2 3.18Å; R233-Q241 WeakPolarHBondContact O-CG 3.25Å; R233-Q241 PolarHBondContact O-N 3.47Å
234	P	98.2	Very high	97.3	Very high	95 Å²	95	72 Å²	72	62%	0.617	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	145.9	179.4	29.2	-34.9	0	0	0	111.2	F240	P234-F240 HydrophobicContact CB-CE1 4.36Å
235	A	97.6	Very high	97.5	Very high	52 Å²	52	67.1 Å²	67.1	43%	0.43	36%	0.362	S	S	.	.			trans	-90.3	-15.3	172.4	0	0	0	0	0	113	D237 T239	A235-D237 WeakPolarHBondContact CB-OD1 3.36Å; A235-T239 WeakPolarHBondContact CB-O 3.33Å; A235-T239 PolarHBondContact N-O 2.68Å
236	G	95.8	Very high	97.7	Very high	78 Å²	78	58.1 Å²	58.1	80%	0.804	32%	0.32	S	S	*	.	S	Bend	trans	93.9	-3.7	-179.9	0	0	0	0	0	114.7
237	D	95.4	Very high	97.9	Very high	111 Å²	111	56.5 Å²	56.5	59%	0.594	31%	0.314	S	S	*	.	S	Bend	trans	-116.4	28.3	-179.3	65.8	-4.3	0	0	0	112.4	A235 T239	A235-D237 WeakPolarHBondContact CB-OD1 3.36Å; D237-T239 PolarHBondContact O-N 3Å; D237-T239 WeakPolarHBondContact OD1-CB 3.45Å; D237-T239 PolarHBondContact OD1-N 2.83Å; D237-T239 PolarHBondContact OD1-OG1 3.09Å
238	R	95.1	Very high	97.9	Very high	56 Å²	56	55.3 Å²	55.3	21%	0.211	31%	0.306	C	S	.	.	S	Bend	trans	78.9	-22.9	-168.5	-169.3	-173.2	178.2	-138.2	-3.5	114.9	T30 K177 Y208	T30-R238 PolarHBondContact OG1-NE 3.02Å; K177-R238 VanDerWaalsContact O-CZ 3.25Å; K177-R238 PolarHBondContact O-NH1 3.49Å; K177-R238 PolarHBondContact O-NH2 3.12Å; Y208-R238 HydrophobicContact CD2-CG 3.88Å; Y208-R238 HydrophobicContact CE2-CG 4.02Å; Y208-R238 PolarHBondContact OH-NH2 3.02Å
239	T	98.3	Very high	97.9	Very high	17 Å²	17	52 Å²	52	10%	0.104	30%	0.295	C	S	.	.			trans	-86.4	168.5	-176.2	74.7	0	0	0	0	112.8	G206 F207 A235 D237	G206-T239 WeakPolarHBondContact CA-OG1 3.02Å; F207-T239 CarbonylContact O-C 3.57Å; F207-T239 WeakPolarHBondContact O-CA 3.4Å; A235-T239 WeakPolarHBondContact CB-O 3.33Å; A235-T239 PolarHBondContact N-O 2.68Å; D237-T239 PolarHBondContact O-N 3Å; D237-T239 WeakPolarHBondContact OD1-CB 3.45Å; D237-T239 PolarHBondContact OD1-N 2.83Å; D237-T239 PolarHBondContact OD1-OG1 3.09Å
240	F	98.8	Very high	97.8	Very high	27 Å²	27	50.5 Å²	50.5	12%	0.118	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	163.3	179.6	-64.3	-88.4	0	0	0	111.6	D29 G206 F207 Y208 A210 T232 R233 P234	D29-F240 HydrophobicContact CB-CE2 3.78Å; D29-F240 HydrophobicContact CB-CZ 3.78Å; G206-F240 PolarHBondContact N-O 2.98Å; F207-F240 VanDerWaalsContact CD1-O 3.29Å; F207-F240 WeakPolarHBondContact CD1-O 3.39Å; F207-F240 HydrophobicContact CD2-CB 3.93Å; F207-F240 HydrophobicContact CE1-CB 4.22Å; F207-F240 WeakPolarHBondContact CE1-O 3.3Å; F207-F240 HydrophobicContact CE2-CB 3.47Å; F207-F240 VanDerWaalsContact CE2-CB 3.47Å; F207-F240 HydrophobicContact CE2-CG 4.45Å; F207-F240 HydrophobicContact CG-CB 4.46Å; F207-F240 HydrophobicContact CZ-CB 3.62Å; F207-F240 PolarHBondContact N-O 2.84Å; F207-F240 PolarHBondContact O-N 2.97Å; Y208-F240 HydrophobicContact CD2-CE2 4.11Å; A210-F240 HydrophobicContact CB-CD1 3.78Å; A210-F240 HydrophobicContact CB-CD2 3.76Å; A210-F240 HydrophobicContact CB-CE1 3.69Å; A210-F240 HydrophobicContact CB-CE2 3.68Å; A210-F240 HydrophobicContact CB-CG 3.83Å; A210-F240 HydrophobicContact CB-CZ 3.65Å; T232-F240 HydrophobicContact CG2-CB 3.81Å; T232-F240 HydrophobicContact CG2-CD1 3.9Å; T232-F240 HydrophobicContact CG2-CG 4.13Å; R233-F240 WeakPolarHBondContact O-CA 2.93Å; P234-F240 HydrophobicContact CB-CE1 4.36Å
241	Q	98.7	Very high	97.7	Very high	45 Å²	45	52.2 Å²	52.2	21%	0.21	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	146.3	173.9	45.9	168.2	-19.6	0	0	110.1	A204 L205 R233	A204-Q241 VanDerWaalsContact O-CA 3.31Å; A204-Q241 WeakPolarHBondContact O-CA 3.39Å; L205-Q241 HydrophobicContact CD2-CB 3.57Å; R233-Q241 HydrophobicContact CG-CG 3.57Å; R233-Q241 PolarHBondContact N-O 3.26Å; R233-Q241 VanDerWaalsContact NE-NE2 3.18Å; R233-Q241 WeakPolarHBondContact O-CG 3.25Å; R233-Q241 PolarHBondContact O-N 3.47Å
242	K	98.8	Very high	97.6	Very high	22 Å²	22	46.5 Å²	46.5	10%	0.096	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	153.8	176.9	-163.2	-176.8	-171.4	69.8	0	109	A204 F207 I212 L214 L229 V230 T232	A204-K242 PolarHBondContact N-O 2.9Å; A204-K242 PolarHBondContact O-N 2.87Å; A204-K242 VanDerWaalsContact O-O 3.12Å; F207-K242 HydrophobicContact CE1-CB 4.36Å; F207-K242 HydrophobicContact CZ-CB 4.11Å; I212-K242 HydrophobicContact CG2-CB 4.34Å; I212-K242 HydrophobicContact CG2-CD 3.64Å; L214-K242 HydrophobicContact CD1-CD 4.28Å; L214-K242 HydrophobicContact CD2-CB 4.32Å; L214-K242 HydrophobicContact CD2-CG 4.38Å; L229-K242 HydrophobicContact CD1-CD 4.45Å; V230-K242 HydrophobicContact CG2-CG 4.43Å; V230-K242 WeakPolarHBondContact O-CE 3.2Å; V230-K242 PolarHBondContact O-NZ 3.46Å; T232-K242 WeakPolarHBondContact OG1-CD 3.12Å; T232-K242 PolarHBondContact OG1-NZ 2.82Å; T232-K242 VanDerWaalsContact OG1-NZ 3.17Å
243	W	98.7	Very high	97.6	Very high	25 Å²	25	45.4 Å²	45.4	10%	0.095	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	155.8	168.2	59.9	-99.2	0	0	0	111.5	R201 C202 W203 E228 V230 A245	R201-W243 HydrophobicContact CG-CB 3.96Å; R201-W243 HydrophobicContact CG-CD2 4.14Å; R201-W243 HydrophobicContact CG-CE3 3.96Å; R201-W243 HydrophobicContact CG-CG 4.19Å; C202-W243 CarbonylContact O-C 3.54Å; C202-W243 WeakPolarHBondContact O-CA 3.5Å; C202-W243 VanDerWaalsContact O-CB 3.25Å; C202-W243 WeakPolarHBondContact O-CB 3.21Å; W203-W243 HydrophobicContact CD2-CB 3.96Å; W203-W243 HydrophobicContact CE3-CB 3.89Å; W203-W243 AromaticContact CE3-CD1 3.95Å; W203-W243 HydrophobicContact CE3-CG 4.26Å; W203-W243 HydrophobicContact CG-CB 4.41Å; W203-W243 AromaticContact CH2-CD1 3.58Å; W203-W243 HydrophobicContact CH2-CG 4.25Å; W203-W243 HydrophobicContact CZ2-CG 4.48Å; W203-W243 HydrophobicContact CZ3-CB 4.27Å; W203-W243 AromaticContact CZ3-CD1 3.44Å; W203-W243 VanDerWaalsContact CZ3-CD1 3.44Å; W203-W243 HydrophobicContact CZ3-CG 4.14Å; E228-W243 HydrophobicContact CB-CZ3 4.15Å; E228-W243 HydrophobicContact CG-CH2 3.83Å; E228-W243 HydrophobicContact CG-CZ3 3.81Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.29Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.23Å; V230-W243 HydrophobicContact CB-CZ2 4.41Å; V230-W243 HydrophobicContact CG1-CD2 3.99Å; V230-W243 HydrophobicContact CG1-CE3 4.36Å; V230-W243 HydrophobicContact CG1-CH2 3.64Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.19Å; V230-W243 HydrophobicContact CG2-CD2 3.81Å; V230-W243 HydrophobicContact CG2-CG 3.77Å; V230-W243 HydrophobicContact CG2-CZ2 4.45Å; V230-W243 WeakPolarHBondContact CG2-O 3.4Å; V230-W243 PolarHBondContact N-O 2.71Å; W243-A245 HydrophobicContact CE3-CB 3.89Å; W243-A245 HydrophobicContact CZ3-CB 3.61Å
244	A	98.7	Very high	97.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	132.4	173.7	0	0	0	0	0	108.4	C202 L214 W216 T227 E228 L229	C202-A244 PolarHBondContact N-O 3Å; C202-A244 PolarHBondContact O-N 2.83Å; L214-A244 HydrophobicContact CB-CB 4.04Å; L214-A244 HydrophobicContact CD2-CB 4.35Å; W216-A244 PolarHBondContact NE1-O 2.81Å; T227-A244 HydrophobicContact CG2-CB 3.89Å; E228-A244 CarbonylContact O-C 3.57Å; E228-A244 WeakPolarHBondContact O-CA 3.34Å; L229-A244 HydrophobicContact CD1-CB 3.64Å
245	A	98.6	Very high	97.5	Very high	3 Å²	3	46.2 Å²	46.2	3%	0.025	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	146.2	-179.4	0	0	0	0	0	112.3	T199 L200 R201 T227 E228 W243	T199-A245 HydrophobicContact CG2-CB 3.86Å; L200-A245 CarbonylContact O-C 3.53Å; L200-A245 WeakPolarHBondContact O-CA 3.29Å; R201-A245 HydrophobicContact CB-CB 4.15Å; R201-A245 HydrophobicContact CG-CB 4.19Å; T227-A245 CarbonylContact C-O 3.6Å; T227-A245 WeakPolarHBondContact CA-O 3.39Å; E228-A245 HydrophobicContact CB-CB 4.46Å; E228-A245 PolarHBondContact N-O 2.9Å; E228-A245 PolarHBondContact O-N 2.02Å; W243-A245 HydrophobicContact CE3-CB 3.89Å; W243-A245 HydrophobicContact CZ3-CB 3.61Å
246	V	98.4	Very high	97.6	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.024	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	145.1	173.1	-72.8	0	0	0	0	109.2	T199 L200 W216 Q223 T227 V248 Y256	T199-V246 WeakPolarHBondContact CA-O 3.31Å; L200-V246 HydrophobicContact CB-CG2 4.2Å; L200-V246 PolarHBondContact N-O 3.35Å; L200-V246 PolarHBondContact O-N 2.97Å; W216-V246 HydrophobicContact CB-CG1 3.68Å; W216-V246 HydrophobicContact CB-CG2 4.36Å; W216-V246 HydrophobicContact CD2-CG1 4.45Å; W216-V246 HydrophobicContact CD2-CG2 3.66Å; W216-V246 HydrophobicContact CE3-CG2 4.08Å; W216-V246 HydrophobicContact CG-CB 4.39Å; W216-V246 HydrophobicContact CG-CG1 3.68Å; W216-V246 HydrophobicContact CG-CG2 3.79Å; W216-V246 HydrophobicContact CZ2-CG2 4.42Å; Q223-V246 HydrophobicContact CB-CG1 4.38Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.45Å; V246-V248 HydrophobicContact CB-CG1 4.39Å; V246-V248 HydrophobicContact CG2-CG1 3.77Å; V246-Y256 HydrophobicContact CG2-CD1 4Å; V246-Y256 HydrophobicContact CG2-CE1 4.37Å
247	V	98.3	Very high	97.7	Very high	76 Å²	76	40.7 Å²	40.7	46%	0.461	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	128.1	168	-179	0	0	0	0	107.7	I193 E197 A198	I193-V247 HydrophobicContact CD1-CG1 3.97Å; I193-V247 HydrophobicContact CD1-CG2 4Å; E197-V247 HydrophobicContact CB-CG1 3.98Å; E197-V247 HydrophobicContact CG-CG1 4.2Å; A198-V247 WeakPolarHBondContact O-CA 3.39Å
248	V	97.7	Very high	97.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	145.6	-175.5	-51.7	0	0	0	0	110.4	E197 A198 L200 V246 E253 Y256	E197-V248 VanDerWaalsContact CA-O 3.31Å; E197-V248 WeakPolarHBondContact CA-O 3.45Å; A198-V248 PolarHBondContact N-O 2.94Å; A198-V248 PolarHBondContact O-N 2.98Å; L200-V248 HydrophobicContact CD1-CG1 3.99Å; L200-V248 HydrophobicContact CD1-CG2 4.05Å; L200-V248 HydrophobicContact CG-CG1 4.14Å; L200-V248 HydrophobicContact CG-CG2 3.85Å; V246-V248 HydrophobicContact CB-CG1 4.39Å; V246-V248 HydrophobicContact CG2-CG1 3.77Å; V248-E253 HydrophobicContact CG2-CG 4.02Å; V248-Y256 HydrophobicContact CB-CD2 4.06Å; V248-Y256 HydrophobicContact CB-CE2 3.72Å; V248-Y256 HydrophobicContact CG1-CD1 3.74Å; V248-Y256 HydrophobicContact CG1-CD2 3.64Å; V248-Y256 HydrophobicContact CG1-CE1 3.63Å; V248-Y256 HydrophobicContact CG1-CE2 3.56Å; V248-Y256 HydrophobicContact CG1-CG 3.73Å
249	P	97.7	Very high	98	Very high	45 Å²	45	34.5 Å²	34.5	29%	0.292	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	140.4	170.7	-20.2	32.4	0	0	0	111.3	H196 G251 E252	H196-P249 CarbonylContact O-C 3.54Å; H196-P249 WeakPolarHBondContact O-CA 3.48Å; P249-G251 PolarHBondContact O-N 2.98Å; P249-E252 HydrophobicContact CB-CB 4.31Å; P249-E252 HydrophobicContact CB-CG 4.07Å; P249-E252 HydrophobicContact CG-CG 4.46Å; P249-E252 WeakPolarHBondContact O-CB 3.45Å; P249-E252 PolarHBondContact O-N 3.38Å
250	S	95.6	Very high	98	Very high	59 Å²	59	33.7 Å²	33.7	41%	0.413	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	129.2	176	-61.8	0	0	0	0	111.2	H196 E197 E253	H196-S250 VanDerWaalsContact C-OG 3.25Å; H196-S250 PolarHBondContact O-N 2.85Å; E197-S250 PolarHBondContact N-OG 3.44Å; S250-E253 WeakPolarHBondContact CA-OE1 3.37Å
251	G	95.4	Very high	98	Very high	69 Å²	69	37.5 Å²	37.5	71%	0.711	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.8	-5.7	-176.2	0	0	0	0	0	114.8	P249 E253	P249-G251 PolarHBondContact O-N 2.98Å; G251-E253 WeakPolarHBondContact CA-OE2 3.49Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 2.85Å; G251-E253 PolarHBondContact N-OE2 3.46Å
252	E	97.6	Very high	98	Very high	52 Å²	52	36.2 Å²	36.2	24%	0.243	20%	0.198	C	C	.	.			trans	-100.7	4.3	175.8	-66.2	-160.7	-164.4	0	0	113.9	R218 P249 Q254 R255 Y256	R218-E252 IonicContact CZ-OE2 2.79Å; R218-E252 IonicContact NE-OE2 3.15Å; R218-E252 IonicContact NH2-OE1 3.4Å; R218-E252 IonicContact NH2-OE2 3.55Å; R218-E252 PolarHBondContact NH2-OE2 2.82Å; P249-E252 HydrophobicContact CB-CB 4.31Å; P249-E252 HydrophobicContact CB-CG 4.07Å; P249-E252 HydrophobicContact CG-CG 4.46Å; P249-E252 WeakPolarHBondContact O-CB 3.45Å; P249-E252 PolarHBondContact O-N 3.38Å; E252-Q254 PolarHBondContact O-N 2.61Å; E252-Q254 VanDerWaalsContact O-N 3.08Å; E252-R255 VanDerWaalsContact CD-NH1 3.26Å; E252-R255 VanDerWaalsContact O-CB 3.3Å; E252-R255 WeakPolarHBondContact O-CB 3.32Å; E252-R255 PolarHBondContact O-N 3.4Å; E252-R255 IonicContact OE1-NH1 3.65Å; E252-R255 PolarHBondContact OE1-NH1 2.93Å; E252-R255 IonicContact OE2-CZ 2.76Å; E252-R255 IonicContact OE2-NE 2.73Å; E252-R255 IonicContact OE2-NH1 3.95Å; E252-R255 PolarHBondContact OE2-NH1 2.82Å; E252-Y256 HydrophobicContact CB-CE2 4.41Å; E252-Y256 WeakPolarHBondContact O-CD2 3.48Å
253	E	97.4	Very high	98	Very high	22 Å²	22	42.1 Å²	42.1	10%	0.103	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-57.2	-35.2	-169.6	-57.9	81.4	-179.4	0	0	112.6	H190 L200 V248 S250 G251 R255 Y256 W273	H190-E253 IonicContact NE2-OE1 3.94Å; L200-E253 HydrophobicContact CD1-CB 4.18Å; L200-E253 HydrophobicContact CD2-CG 4.33Å; V248-E253 HydrophobicContact CG2-CG 4.02Å; S250-E253 WeakPolarHBondContact CA-OE1 3.37Å; G251-E253 WeakPolarHBondContact CA-OE2 3.49Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 2.85Å; G251-E253 PolarHBondContact N-OE2 3.46Å; E253-R255 VanDerWaalsContact C-N 3.25Å; E253-R255 PolarHBondContact O-N 2.91Å; E253-Y256 PolarHBondContact O-N 3.32Å; E253-Y256 VanDerWaalsContact O-N 3.12Å; E253-W273 HydrophobicContact CB-CE3 3.62Å; E253-W273 HydrophobicContact CB-CZ3 4.11Å; E253-W273 HydrophobicContact CG-CE3 3.73Å; E253-W273 HydrophobicContact CG-CZ3 3.86Å
254	Q	97.4	Very high	97.9	Very high	112 Å²	112	41.9 Å²	41.9	52%	0.523	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-71.7	-16.2	-179	-64.6	-58.4	-45.7	0	0	114.2	E252 Y256 R272 W273	E252-Q254 PolarHBondContact O-N 2.61Å; E252-Q254 VanDerWaalsContact O-N 3.08Å; Q254-Y256 PolarHBondContact O-N 3.08Å; Q254-R272 PolarHBondContact O-NE 2.9Å; Q254-R272 VanDerWaalsContact O-NE 3.09Å; Q254-W273 PolarHBondContact NE2-O 3.06Å
255	R	98	Very high	97.9	Very high	96 Å²	96	43.1 Å²	43.1	36%	0.362	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-73.4	-18	172.3	-63.5	174.6	67.6	179.2	5.6	112	R218 D219 E252 E253	R218-R255 WeakPolarHBondContact CA-O 3.44Å; R218-R255 HydrophobicContact CG-CB 4.43Å; D219-R255 PolarHBondContact N-O 2.77Å; D219-R255 WeakPolarHBondContact OD1-CB 3.46Å; D219-R255 IonicContact OD1-NE 3.73Å; D219-R255 PolarHBondContact OD1-NE 3.34Å; D219-R255 IonicContact OD2-CZ 3.38Å; D219-R255 IonicContact OD2-NE 3.73Å; D219-R255 PolarHBondContact OD2-NE 3.06Å; D219-R255 IonicContact OD2-NH2 3.56Å; D219-R255 PolarHBondContact OD2-NH2 2.95Å; E252-R255 VanDerWaalsContact CD-NH1 3.26Å; E252-R255 VanDerWaalsContact O-CB 3.3Å; E252-R255 WeakPolarHBondContact O-CB 3.32Å; E252-R255 PolarHBondContact O-N 3.4Å; E252-R255 IonicContact OE1-NH1 3.65Å; E252-R255 PolarHBondContact OE1-NH1 2.93Å; E252-R255 IonicContact OE2-CZ 2.76Å; E252-R255 IonicContact OE2-NE 2.73Å; E252-R255 IonicContact OE2-NH1 3.95Å; E252-R255 PolarHBondContact OE2-NH1 2.82Å; E253-R255 VanDerWaalsContact C-N 3.25Å; E253-R255 PolarHBondContact O-N 2.91Å
256	Y	98.5	Very high	97.9	Very high	8 Å²	8	49.5 Å²	49.5	3%	0.031	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	131.2	-176.8	-69.4	-99.8	0	0	0	111.4	L200 Q217 R218 Q223 V246 V248 E252 E253 Q254	L200-Y256 HydrophobicContact CD1-CG 4.49Å; Q217-Y256 CarbonylContact O-C 3.54Å; Q217-Y256 VanDerWaalsContact O-CA 3.23Å; Q217-Y256 WeakPolarHBondContact O-CA 3.31Å; R218-Y256 HydrophobicContact CB-CD1 4.09Å; R218-Y256 HydrophobicContact CB-CE1 3.84Å; R218-Y256 WeakPolarHBondContact CD-OH 3.45Å; R218-Y256 HydrophobicContact CG-CD1 4.47Å; R218-Y256 HydrophobicContact CG-CD2 4.48Å; R218-Y256 HydrophobicContact CG-CE1 4.05Å; R218-Y256 HydrophobicContact CG-CE2 4.03Å; Q223-Y256 HydrophobicContact CG-CE1 4.41Å; V246-Y256 HydrophobicContact CG2-CD1 4Å; V246-Y256 HydrophobicContact CG2-CE1 4.37Å; V248-Y256 HydrophobicContact CB-CD2 4.06Å; V248-Y256 HydrophobicContact CB-CE2 3.72Å; V248-Y256 HydrophobicContact CG1-CD1 3.74Å; V248-Y256 HydrophobicContact CG1-CD2 3.64Å; V248-Y256 HydrophobicContact CG1-CE1 3.63Å; V248-Y256 HydrophobicContact CG1-CE2 3.56Å; V248-Y256 HydrophobicContact CG1-CG 3.73Å; E252-Y256 HydrophobicContact CB-CE2 4.41Å; E252-Y256 WeakPolarHBondContact O-CD2 3.48Å; E253-Y256 PolarHBondContact O-N 3.32Å; E253-Y256 VanDerWaalsContact O-N 3.12Å; Q254-Y256 PolarHBondContact O-N 3.08Å
257	T	98.6	Very high	97.8	Very high	6 Å²	6	56.5 Å²	56.5	4%	0.037	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	132.7	173.9	44.1	0	0	0	0	111.2	W216 Q217 H259 T270 L271 R272	W216-T257 WeakPolarHBondContact CA-O 3.46Å; Q217-T257 PolarHBondContact N-O 3.14Å; Q217-T257 PolarHBondContact O-N 2.95Å; T257-H259 PolarHBondContact O-CD2 2.92Å; T257-H259 PolarHBondContact OG1-NE2 2.79Å; T257-T270 HydrophobicContact CG2-CG2 3.76Å; T257-L271 CarbonylContact C-O 3.53Å; T257-L271 VanDerWaalsContact CA-O 3.29Å; T257-L271 WeakPolarHBondContact CA-O 3.42Å; T257-R272 HydrophobicContact CG2-CG 3.6Å; T257-R272 VanDerWaalsContact CG2-NE 3.31Å; T257-R272 VanDerWaalsContact CG2-NH2 3.27Å
258	C	98.7	Very high	97.8	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	132.3	167.4	175.6	0	0	0	0	109.9	C202 T215 W216 T270 L271	C202-C258 HydrophobicContact CB-CB 3.49Å; C202-C258 VanDerWaalsContact CB-CB 3.49Å; C202-C258 WeakPolarHBondContact CB-SG 3.44Å; C202-C258 WeakPolarHBondContact SG-CB 3.45Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 3.32Å; T215-C258 CarbonylContact O-C 3.6Å; T215-C258 WeakPolarHBondContact O-CA 3.44Å; W216-C258 HydrophobicContact CD2-CB 4.18Å; W216-C258 HydrophobicContact CE3-CB 4.14Å; W216-C258 HydrophobicContact CH2-CB 4.01Å; W216-C258 HydrophobicContact CZ2-CB 4.05Å; W216-C258 HydrophobicContact CZ3-CB 4.06Å; C258-T270 CarbonylContact O-C 3.57Å; C258-T270 WeakPolarHBondContact O-CA 3.35Å; C258-L271 HydrophobicContact CB-CB 4.36Å; C258-L271 PolarHBondContact N-O 2.9Å; C258-L271 PolarHBondContact O-N 2.8Å
259	H	98.6	Very high	97.8	Very high	36 Å²	36	59.1 Å²	59.1	17%	0.167	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130.9	176.5	-65.2	-109.1	0	0	0	109.8	L214 T215 Q217 T257 L269 T270	L214-H259 WeakPolarHBondContact CA-O 3.45Å; T215-H259 PolarHBondContact N-O 3.48Å; T215-H259 PolarHBondContact O-N 3.22Å; Q217-H259 PolarHBondContact OE1-CE1 3.14Å; Q217-H259 PolarHBondContact OE1-NE2 3Å; Q217-H259 VanDerWaalsContact OE1-NE2 3.15Å; T257-H259 PolarHBondContact O-CD2 2.92Å; T257-H259 PolarHBondContact OG1-NE2 2.79Å; H259-L269 VanDerWaalsContact CA-O 3.32Å; H259-L269 WeakPolarHBondContact CA-O 3.33Å; H259-T270 PolarHBondContact CE1-OG1 3.39Å; H259-T270 PolarHBondContact ND1-OG1 2.89Å
260	V	98.8	Very high	97.9	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	123.9	-178	-173.8	0	0	0	0	109.9	P184 T186 I212 T213 L214 L265 P268 L269 L271	P184-V260 HydrophobicContact CG-CG1 3.91Å; T186-V260 HydrophobicContact CG2-CB 4.34Å; T186-V260 HydrophobicContact CG2-CG1 4.07Å; T186-V260 HydrophobicContact CG2-CG2 3.96Å; I212-V260 HydrophobicContact CD1-CG1 4.07Å; I212-V260 HydrophobicContact CG1-CG1 4.36Å; T213-V260 WeakPolarHBondContact O-CA 3.22Å; L214-V260 HydrophobicContact CD1-CG1 4.15Å; L214-V260 HydrophobicContact CG-CG2 4.35Å; V260-L265 HydrophobicContact CG1-CD1 4.23Å; V260-P268 WeakPolarHBondContact O-CA 3.12Å; V260-L269 HydrophobicContact CB-CB 4.36Å; V260-L269 PolarHBondContact N-O 2.87Å; V260-L269 PolarHBondContact O-N 3.1Å; V260-L271 HydrophobicContact CG2-CD1 3.82Å
261	Q	98.7	Very high	98	Very high	107 Å²	107	59.4 Å²	59.4	50%	0.5	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	132.3	173.8	-53.1	-177.2	11.2	0	0	109.7	I212 T213 P268	I212-Q261 VanDerWaalsContact CG1-O 3.3Å; I212-Q261 WeakPolarHBondContact CG1-O 3.47Å; T213-Q261 PolarHBondContact N-O 3.2Å; T213-Q261 PolarHBondContact O-N 3.42Å; Q261-P268 HydrophobicContact CG-CB 4.11Å; Q261-P268 HydrophobicContact CG-CG 4.15Å
262	H	98.6	Very high	98.1	Very high	18 Å²	18	62.8 Å²	62.8	8%	0.083	31%	0.314	C	S	.	.			trans	-158.6	146.1	-179.7	-178.8	-96.4	0	0	0	108.9	D182 P184 F207 Y208 P209 E211 I212 G264 L265	D182-H262 PolarHBondContact O-CE1 3.46Å; P184-H262 HydrophobicContact CG-CB 4.04Å; F207-H262 AromaticContact CD2-CD2 3.86Å; F207-H262 AromaticContact CD2-NE2 3.81Å; Y208-H262 PolarHBondContact O-CE1 3.15Å; Y208-H262 PolarHBondContact O-NE2 3.15Å; P209-H262 PolarHBondContact O-NE2 3.23Å; E211-H262 PolarHBondContact O-CD2 3.43Å; E211-H262 VanDerWaalsContact O-CD2 3.3Å; I212-H262 HydrophobicContact CD1-CB 4.45Å; I212-H262 HydrophobicContact CG1-CB 4.18Å; H262-G264 VanDerWaalsContact C-N 3.26Å; H262-G264 PolarHBondContact ND1-N 2.98Å; H262-G264 PolarHBondContact O-N 3.02Å; H262-L265 HydrophobicContact CB-CD1 3.97Å; H262-L265 HydrophobicContact CB-CG 4.16Å; H262-L265 WeakPolarHBondContact O-CB 3.14Å; H262-L265 PolarHBondContact O-N 2.86Å
263	E	97.5	Very high	97.9	Very high	146 Å²	146	67.2 Å²	67.2	68%	0.682	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-35.3	-177.1	-177.4	173.6	178.7	0	0	113.1	L265	E263-L265 PolarHBondContact O-N 3.3Å
264	G	97.4	Very high	97.9	Very high	21 Å²	21	69.5 Å²	69.5	22%	0.216	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-7	175.3	0	0	0	0	0	115.1	H262	H262-G264 VanDerWaalsContact C-N 3.26Å; H262-G264 PolarHBondContact ND1-N 2.98Å; H262-G264 PolarHBondContact O-N 3.02Å
265	L	98.4	Very high	97.9	Very high	26 Å²	26	67.3 Å²	67.3	14%	0.136	33%	0.33	C	S	.	.			trans	-95.7	127.5	177.4	-66.5	170.9	0	0	0	110.6	P183 P184 V260 H262 E263 K267 L269	P183-L265 HydrophobicContact CB-CD2 3.9Å; P183-L265 HydrophobicContact CB-CG 4.42Å; P184-L265 HydrophobicContact CG-CD1 3.93Å; P184-L265 HydrophobicContact CG-CD2 4.48Å; P184-L265 HydrophobicContact CG-CG 4.27Å; V260-L265 HydrophobicContact CG1-CD1 4.23Å; H262-L265 HydrophobicContact CB-CD1 3.97Å; H262-L265 HydrophobicContact CB-CG 4.16Å; H262-L265 WeakPolarHBondContact O-CB 3.14Å; H262-L265 PolarHBondContact O-N 2.86Å; E263-L265 PolarHBondContact O-N 3.3Å; L265-K267 PolarHBondContact O-N 2.88Å; L265-L269 HydrophobicContact CD1-CD1 4.09Å; L265-L269 HydrophobicContact CD1-CG 3.96Å; L265-L269 HydrophobicContact CD2-CD1 3.81Å; L265-L269 HydrophobicContact CD2-CG 4.05Å
266	P	97.6	Very high	97.9	Very high	137 Å²	137	65.7 Å²	65.7	89%	0.89	33%	0.328	S	S	*	.	S	Bend	trans	-67.5	-21.4	177.4	27.8	-35.1	0	0	0	113
267	K	97.6	Very high	97.9	Very high	150 Å²	150	69.1 Å²	69.1	65%	0.652	35%	0.346	S	S	*	.	S	Bend	trans	-151.7	152.2	172.4	62.1	-178.4	-178.6	178.5	0	109.4	L265	L265-K267 PolarHBondContact O-N 2.88Å
268	P	98.1	Very high	97.9	Very high	79 Å²	79	73 Å²	73	51%	0.513	37%	0.365	S	S	.	.			trans	-53.1	145	172.5	-27.1	36	0	0	0	112.2	V260 Q261	V260-P268 WeakPolarHBondContact O-CA 3.12Å; Q261-P268 HydrophobicContact CG-CB 4.11Å; Q261-P268 HydrophobicContact CG-CG 4.15Å
269	L	98.5	Very high	97.8	Very high	52 Å²	52	77.9 Å²	77.9	27%	0.272	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	144.4	174.1	-60.1	178.6	0	0	0	110.1	T186 H259 V260 L265 L271	T186-L269 HydrophobicContact CG2-CD1 4.36Å; T186-L269 WeakPolarHBondContact OG1-CD1 3.14Å; H259-L269 VanDerWaalsContact CA-O 3.32Å; H259-L269 WeakPolarHBondContact CA-O 3.33Å; V260-L269 HydrophobicContact CB-CB 4.36Å; V260-L269 PolarHBondContact N-O 2.87Å; V260-L269 PolarHBondContact O-N 3.1Å; L265-L269 HydrophobicContact CD1-CD1 4.09Å; L265-L269 HydrophobicContact CD1-CG 3.96Å; L265-L269 HydrophobicContact CD2-CD1 3.81Å; L265-L269 HydrophobicContact CD2-CG 4.05Å; L269-L271 HydrophobicContact CB-CD1 4Å
270	T	98.5	Very high	97.7	Very high	81 Å²	81	80.9 Å²	80.9	50%	0.497	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	119.2	170.4	-59.1	0	0	0	0	107.9	T257 C258 H259	T257-T270 HydrophobicContact CG2-CG2 3.76Å; C258-T270 CarbonylContact O-C 3.57Å; C258-T270 WeakPolarHBondContact O-CA 3.35Å; H259-T270 PolarHBondContact CE1-OG1 3.39Å; H259-T270 PolarHBondContact ND1-OG1 2.89Å
271	L	98.1	Very high	97.7	Very high	30 Å²	30	87.1 Å²	87.1	16%	0.157	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	147.8	-177.7	-58.5	98.9	0	0	0	110.5	V188 T257 C258 V260 L269	V188-L271 HydrophobicContact CG2-CB 3.86Å; T257-L271 CarbonylContact C-O 3.53Å; T257-L271 VanDerWaalsContact CA-O 3.29Å; T257-L271 WeakPolarHBondContact CA-O 3.42Å; C258-L271 HydrophobicContact CB-CB 4.36Å; C258-L271 PolarHBondContact N-O 2.9Å; C258-L271 PolarHBondContact O-N 2.8Å; V260-L271 HydrophobicContact CG2-CD1 3.82Å; L269-L271 HydrophobicContact CB-CD1 4Å
272	R	97	Very high	97.6	Very high	139 Å²	139	85.4 Å²	85.4	53%	0.525	43%	0.431	S	S	.	.			trans	-125	165	165.5	-67.3	-170.6	171.5	84	2.6	108.4	Q254 T257	Q254-R272 PolarHBondContact O-NE 2.9Å; Q254-R272 VanDerWaalsContact O-NE 3.09Å; T257-R272 HydrophobicContact CG2-CG 3.6Å; T257-R272 VanDerWaalsContact CG2-NE 3.31Å; T257-R272 VanDerWaalsContact CG2-NH2 3.27Å
273	W	93.6	Very high	97.5	Very high	146 Å²	146	91.5 Å²	91.5	55%	0.553	46%	0.463	S	S	*	.			trans	-71.1	0	166.3	174.9	55.4	0	0	0	110.9	V188 H190 L200 E253 Q254	V188-W273 HydrophobicContact CG1-CB 3.93Å; H190-W273 HydrophobicContact CB-CD2 3.88Å; H190-W273 VanDerWaalsContact CB-CE2 3.46Å; H190-W273 HydrophobicContact CB-CG 3.99Å; H190-W273 HydrophobicContact CB-CZ2 3.98Å; H190-W273 VanDerWaalsContact CB-NE1 3.33Å; H190-W273 AromaticContact CG-CE2 3.73Å; H190-W273 AromaticContact CG-CZ2 3.79Å; H190-W273 AromaticContact ND1-CZ2 3.86Å; L200-W273 HydrophobicContact CD2-CB 3.9Å; L200-W273 HydrophobicContact CD2-CG 4.16Å; E253-W273 HydrophobicContact CB-CE3 3.62Å; E253-W273 HydrophobicContact CB-CZ3 4.11Å; E253-W273 HydrophobicContact CG-CE3 3.73Å; E253-W273 HydrophobicContact CG-CZ3 3.86Å; Q254-W273 PolarHBondContact NE2-O 3.06Å

Retrieved 273 of 273 residues in 219.6 ms (Link to these results)

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